| 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 | 77.9 | Confident | 91.8 | Very high | 147 Ų | 147 | 95.5 Ų | 95.5 | 72% | 0.724 | 49% | 0.486 | S | S | * | . | 0 | 131.4 | 0 | -55 | 176.8 | 83.7 | 0 | 0 | 106.5 | T5 I6 L9 A67 | M1-T5 HydrophobicContact CE-CG2 3.7Å; M1-I6 HydrophobicContact CB-CG1 4.29Å; M1-L9 HydrophobicContact CE-CD1 3.34Å; M1-A67 HydrophobicContact CE-CB 4.11Å; M1-A67 WeakPolarHBondContact CE-O 3.34Å | |||
| 2 | D | 87.5 | Confident | 92.2 | Very high | 78 Ų | 78 | 88.9 Ų | 88.9 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | trans | -82.5 | 168.9 | 178.1 | 72 | -51.2 | 0 | 0 | 0 | 111.2 | W4 T5 I6 | D2-W4 PolarHBondContact O-N 3.26Å; D2-W4 VanDerWaalsContact OD2-CB 3.29Å; D2-W4 WeakPolarHBondContact OD2-CB 3.46Å; D2-W4 PolarHBondContact OD2-N 3.39Å; D2-T5 PolarHBondContact O-N 3.24Å; D2-T5 WeakPolarHBondContact OD1-CB 3.4Å; D2-T5 PolarHBondContact OD1-N 2.97Å; D2-T5 PolarHBondContact OD1-OG1 3.45Å; D2-I6 WeakPolarHBondContact O-CG1 3.42Å; D2-I6 PolarHBondContact O-N 3.44Å | ||
| 3 | C | 91.4 | Very high | 92.6 | Very high | 105 Ų | 105 | 85.8 Ų | 85.8 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.4 | -31.3 | -177.3 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | A7 | C3-A7 WeakPolarHBondContact O-CB 3.29Å; C3-A7 PolarHBondContact O-N 3.16Å |
| 4 | W | 90.6 | Very high | 92.9 | Very high | 211 Ų | 211 | 84.9 Ų | 84.9 | 80% | 0.799 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -70.6 | -43.4 | 178.6 | -61.4 | 108.5 | 0 | 0 | 0 | 111.8 | D2 I6 A7 A8 | D2-W4 PolarHBondContact O-N 3.26Å; D2-W4 VanDerWaalsContact OD2-CB 3.29Å; D2-W4 WeakPolarHBondContact OD2-CB 3.46Å; D2-W4 PolarHBondContact OD2-N 3.39Å; W4-I6 VanDerWaalsContact C-N 3.31Å; W4-I6 PolarHBondContact O-N 3.28Å; W4-A7 PolarHBondContact O-N 3.37Å; W4-A8 VanDerWaalsContact O-CB 3.29Å; W4-A8 WeakPolarHBondContact O-CB 3.38Å; W4-A8 PolarHBondContact O-N 3.38Å |
| 5 | T | 90.7 | Very high | 93.1 | Very high | 32 Ų | 32 | 79.9 Ų | 79.9 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | M1 D2 A8 L9 F66 | M1-T5 HydrophobicContact CE-CG2 3.7Å; D2-T5 PolarHBondContact O-N 3.24Å; D2-T5 WeakPolarHBondContact OD1-CB 3.4Å; D2-T5 PolarHBondContact OD1-N 2.97Å; D2-T5 PolarHBondContact OD1-OG1 3.45Å; T5-A8 PolarHBondContact O-N 3.43Å; T5-L9 HydrophobicContact CG2-CD1 4.06Å; T5-L9 HydrophobicContact CG2-CG 4.46Å; T5-L9 WeakPolarHBondContact O-CB 3.27Å; T5-L9 WeakPolarHBondContact O-CG 3.41Å; T5-L9 PolarHBondContact O-N 3.4Å; T5-F66 HydrophobicContact CG2-CD1 4.41Å; T5-F66 HydrophobicContact CG2-CE1 3.9Å |
| 6 | I | 93.6 | Very high | 93.4 | Very high | 98 Ų | 98 | 75.5 Ų | 75.5 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 176.9 | -63.5 | 169.5 | 0 | 0 | 0 | 111 | M1 D2 W4 L9 F10 | M1-I6 HydrophobicContact CB-CG1 4.29Å; D2-I6 WeakPolarHBondContact O-CG1 3.42Å; D2-I6 PolarHBondContact O-N 3.44Å; W4-I6 VanDerWaalsContact C-N 3.31Å; W4-I6 PolarHBondContact O-N 3.28Å; I6-L9 PolarHBondContact O-N 2.84Å; I6-F10 PolarHBondContact O-N 3.36Å |
| 7 | A | 94.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 77 Ų | 77 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C3 W4 F10 F11 | C3-A7 WeakPolarHBondContact O-CB 3.29Å; C3-A7 PolarHBondContact O-N 3.16Å; W4-A7 PolarHBondContact O-N 3.37Å; A7-F10 PolarHBondContact O-N 3.29Å; A7-F11 WeakPolarHBondContact O-CB 3.31Å; A7-F11 PolarHBondContact O-N 3.16Å |
| 8 | A | 94.5 | Very high | 93.9 | Very high | 27 Ų | 27 | 76.1 Ų | 76.1 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | W4 T5 F10 F11 L12 F66 | W4-A8 VanDerWaalsContact O-CB 3.29Å; W4-A8 WeakPolarHBondContact O-CB 3.38Å; W4-A8 PolarHBondContact O-N 3.38Å; T5-A8 PolarHBondContact O-N 3.43Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 3.05Å; A8-F11 PolarHBondContact O-N 3.01Å; A8-F11 VanDerWaalsContact O-N 3.16Å; A8-L12 WeakPolarHBondContact O-CB 3.27Å; A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 2.98Å; A8-F66 HydrophobicContact CB-CE1 3.79Å; A8-F66 HydrophobicContact CB-CZ 3.95Å |
| 9 | L | 95.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 177 | -77.8 | 170 | 0 | 0 | 0 | 112.8 | M1 T5 I6 S13 L63 F66 A67 | M1-L9 HydrophobicContact CE-CD1 3.34Å; T5-L9 HydrophobicContact CG2-CD1 4.06Å; T5-L9 HydrophobicContact CG2-CG 4.46Å; T5-L9 WeakPolarHBondContact O-CB 3.27Å; T5-L9 WeakPolarHBondContact O-CG 3.41Å; T5-L9 PolarHBondContact O-N 3.4Å; I6-L9 PolarHBondContact O-N 2.84Å; L9-S13 VanDerWaalsContact O-CB 3.23Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 3.26Å; L9-L63 HydrophobicContact CD2-CD2 4.16Å; L9-F66 HydrophobicContact CD2-CD1 3.78Å; L9-F66 HydrophobicContact CD2-CE1 4.48Å; L9-F66 HydrophobicContact CG-CD1 3.99Å; L9-F66 HydrophobicContact CG-CE1 4.23Å; L9-A67 HydrophobicContact CD1-CB 3.85Å; L9-A67 HydrophobicContact CD2-CB 3.93Å |
| 10 | F | 96.2 | Very high | 94.3 | Very high | 146 Ų | 146 | 70.8 Ų | 70.8 | 64% | 0.64 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.6 | -48.2 | 175.5 | 179.6 | -103.9 | 0 | 0 | 0 | 111.8 | I6 A7 A8 S13 I14 | I6-F10 PolarHBondContact O-N 3.36Å; A7-F10 PolarHBondContact O-N 3.29Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 3.05Å; F10-S13 PolarHBondContact O-N 2.69Å; F10-I14 HydrophobicContact CD1-CD1 3.98Å; F10-I14 HydrophobicContact CE1-CD1 3.52Å; F10-I14 HydrophobicContact CE2-CD1 4.37Å; F10-I14 HydrophobicContact CZ-CD1 3.74Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 3.08Å; F10-I14 VanDerWaalsContact O-N 3.13Å |
| 11 | F | 96.6 | Very high | 94.4 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 177.1 | 172.7 | -102 | 0 | 0 | 0 | 112.5 | A7 A8 S13 I14 V15 | A7-F11 WeakPolarHBondContact O-CB 3.31Å; A7-F11 PolarHBondContact O-N 3.16Å; A8-F11 PolarHBondContact O-N 3.01Å; A8-F11 VanDerWaalsContact O-N 3.16Å; F11-S13 VanDerWaalsContact C-N 3.31Å; F11-S13 PolarHBondContact O-N 3.02Å; F11-I14 WeakPolarHBondContact O-CB 3.47Å; F11-I14 PolarHBondContact O-N 3.41Å; F11-I14 VanDerWaalsContact O-N 3.1Å; F11-V15 HydrophobicContact CD1-CG2 4.34Å; F11-V15 HydrophobicContact CE1-CG2 3.86Å; F11-V15 HydrophobicContact CE2-CG2 4.28Å; F11-V15 HydrophobicContact CZ-CG2 3.83Å; F11-V15 WeakPolarHBondContact O-CG2 3.37Å; F11-V15 PolarHBondContact O-N 3.43Å |
| 12 | L | 96.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.7 | -31.6 | -178.8 | -62.4 | 173.2 | 0 | 0 | 0 | 111.8 | A8 V15 C16 L63 W464 | A8-L12 WeakPolarHBondContact O-CB 3.27Å; A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 2.98Å; L12-V15 PolarHBondContact O-N 3.22Å; L12-C16 WeakPolarHBondContact O-CB 3.4Å; L12-C16 PolarHBondContact O-N 3.09Å; L12-L63 HydrophobicContact CB-CD2 3.51Å; L12-W464 HydrophobicContact CB-CE3 4.47Å; L12-W464 HydrophobicContact CB-CH2 4.19Å; L12-W464 HydrophobicContact CB-CZ2 4.35Å; L12-W464 HydrophobicContact CB-CZ3 4.24Å; L12-W464 HydrophobicContact CD1-CD2 4.03Å; L12-W464 HydrophobicContact CD1-CG 4.3Å; L12-W464 HydrophobicContact CD1-CZ2 4.08Å; L12-W464 HydrophobicContact CD2-CB 4.25Å; L12-W464 HydrophobicContact CD2-CD2 3.61Å; L12-W464 HydrophobicContact CD2-CE3 3.67Å; L12-W464 HydrophobicContact CD2-CG 3.86Å; L12-W464 HydrophobicContact CD2-CZ3 4.27Å; L12-W464 HydrophobicContact CG-CD2 4.28Å; L12-W464 HydrophobicContact CG-CE3 4.46Å |
| 13 | S | 97.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 170 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | L9 F10 F11 C16 L17 | L9-S13 VanDerWaalsContact O-CB 3.23Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 3.26Å; F10-S13 PolarHBondContact O-N 2.69Å; F11-S13 VanDerWaalsContact C-N 3.31Å; F11-S13 PolarHBondContact O-N 3.02Å; S13-C16 WeakPolarHBondContact O-CB 3.44Å; S13-C16 PolarHBondContact O-N 2.9Å; S13-L17 WeakPolarHBondContact O-CG 3.48Å; S13-L17 PolarHBondContact O-N 3.34Å |
| 14 | I | 97.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 173.4 | -67.2 | 166.5 | 0 | 0 | 0 | 110.7 | F10 F11 C16 L17 C18 | F10-I14 HydrophobicContact CD1-CD1 3.98Å; F10-I14 HydrophobicContact CE1-CD1 3.52Å; F10-I14 HydrophobicContact CE2-CD1 4.37Å; F10-I14 HydrophobicContact CZ-CD1 3.74Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 3.08Å; F10-I14 VanDerWaalsContact O-N 3.13Å; F11-I14 WeakPolarHBondContact O-CB 3.47Å; F11-I14 PolarHBondContact O-N 3.41Å; F11-I14 VanDerWaalsContact O-N 3.1Å; I14-C16 VanDerWaalsContact C-N 3.29Å; I14-C16 PolarHBondContact O-N 3.49Å; I14-L17 PolarHBondContact O-N 3.03Å; I14-C18 WeakPolarHBondContact O-CB 3.06Å; I14-C18 PolarHBondContact O-N 3.1Å; I14-C18 PolarHBondContact O-SG 2.92Å; I14-C18 VanDerWaalsContact O-SG 3.36Å |
| 15 | V | 96.7 | Very high | 96.4 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.6 | -45.8 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | F11 L12 C18 A19 F468 V471 | F11-V15 HydrophobicContact CD1-CG2 4.34Å; F11-V15 HydrophobicContact CE1-CG2 3.86Å; F11-V15 HydrophobicContact CE2-CG2 4.28Å; F11-V15 HydrophobicContact CZ-CG2 3.83Å; F11-V15 WeakPolarHBondContact O-CG2 3.37Å; F11-V15 PolarHBondContact O-N 3.43Å; L12-V15 PolarHBondContact O-N 3.22Å; V15-C18 PolarHBondContact O-N 3.1Å; V15-A19 PolarHBondContact O-N 2.86Å; V15-F468 HydrophobicContact CG1-CD2 4.18Å; V15-F468 HydrophobicContact CG2-CD2 4.44Å; V15-V471 HydrophobicContact CG1-CG2 3.91Å; V15-V471 WeakPolarHBondContact O-CG2 3.43Å |
| 16 | C | 97.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -53.5 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | L12 S13 I14 C18 A19 I20 A55 M59 L63 | L12-C16 WeakPolarHBondContact O-CB 3.4Å; L12-C16 PolarHBondContact O-N 3.09Å; S13-C16 WeakPolarHBondContact O-CB 3.44Å; S13-C16 PolarHBondContact O-N 2.9Å; I14-C16 VanDerWaalsContact C-N 3.29Å; I14-C16 PolarHBondContact O-N 3.49Å; C16-C18 VanDerWaalsContact C-N 3.32Å; C16-C18 PolarHBondContact O-N 3.43Å; C16-A19 PolarHBondContact O-N 3.27Å; C16-A19 VanDerWaalsContact O-N 3.11Å; C16-I20 WeakPolarHBondContact O-CG1 3.35Å; C16-I20 PolarHBondContact O-N 3.23Å; C16-A55 PolarHBondContact SG-O 2.89Å; C16-A55 VanDerWaalsContact SG-O 3.41Å; C16-M59 HydrophobicContact CB-CB 4.37Å; C16-M59 HydrophobicContact CB-SD 3.98Å; C16-L63 HydrophobicContact CB-CD1 4.42Å |
| 17 | L | 97.6 | Very high | 96.8 | Very high | 101 Ų | 101 | 45.1 Ų | 45.1 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 178.1 | -70 | 172.4 | 0 | 0 | 0 | 112.5 | S13 I14 I20 L21 | S13-L17 WeakPolarHBondContact O-CG 3.48Å; S13-L17 PolarHBondContact O-N 3.34Å; I14-L17 PolarHBondContact O-N 3.03Å; L17-I20 PolarHBondContact O-N 3.47Å; L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.22Å; L17-L21 PolarHBondContact O-N 3.48Å |
| 18 | C | 97.3 | Very high | 96.8 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | 175.1 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | I14 V15 C16 G22 V471 | I14-C18 WeakPolarHBondContact O-CB 3.06Å; I14-C18 PolarHBondContact O-N 3.1Å; I14-C18 PolarHBondContact O-SG 2.92Å; I14-C18 VanDerWaalsContact O-SG 3.36Å; V15-C18 PolarHBondContact O-N 3.1Å; C16-C18 VanDerWaalsContact C-N 3.32Å; C16-C18 PolarHBondContact O-N 3.43Å; C18-G22 WeakPolarHBondContact O-CA 3.47Å; C18-G22 PolarHBondContact O-N 3.29Å; C18-V471 HydrophobicContact CB-CG1 4.15Å; C18-V471 HydrophobicContact CB-CG2 4.27Å |
| 19 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V15 C16 N23 A55 M59 V471 | V15-A19 PolarHBondContact O-N 2.86Å; C16-A19 PolarHBondContact O-N 3.27Å; C16-A19 VanDerWaalsContact O-N 3.11Å; A19-N23 WeakPolarHBondContact O-CB 3.49Å; A19-N23 PolarHBondContact O-N 2.87Å; A19-N23 VanDerWaalsContact O-N 3.1Å; A19-N23 PolarHBondContact O-ND2 3.36Å; A19-A55 HydrophobicContact CB-CB 3.61Å; A19-M59 HydrophobicContact CB-CE 3.9Å; A19-M59 HydrophobicContact CB-SD 4.21Å; A19-V471 HydrophobicContact CB-CG2 3.85Å |
| 20 | I | 98.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -56.3 | 176.9 | -64.3 | 174.4 | 0 | 0 | 0 | 110.2 | C16 L17 G22 A24 F52 A55 V56 | C16-I20 WeakPolarHBondContact O-CG1 3.35Å; C16-I20 PolarHBondContact O-N 3.23Å; L17-I20 PolarHBondContact O-N 3.47Å; I20-G22 PolarHBondContact O-N 3.43Å; I20-A24 VanDerWaalsContact O-CB 3.22Å; I20-A24 WeakPolarHBondContact O-CB 3.29Å; I20-A24 PolarHBondContact O-N 3.44Å; I20-F52 HydrophobicContact CG2-CD2 4.43Å; I20-F52 HydrophobicContact CG2-CE2 3.84Å; I20-A55 HydrophobicContact CG1-CB 3.68Å; I20-V56 HydrophobicContact CD1-CG2 4.12Å; I20-V56 HydrophobicContact CG1-CG2 3.93Å; I20-V56 HydrophobicContact CG2-CG2 4.24Å |
| 21 | L | 97.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 40.9 Ų | 40.9 | 61% | 0.607 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.5 | -43.1 | -176.4 | -68.4 | 173.1 | 0 | 0 | 0 | 112 | L17 L25 | L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.22Å; L17-L21 PolarHBondContact O-N 3.48Å; L21-L25 VanDerWaalsContact O-CG 3.3Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.12Å |
| 22 | G | 96.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -47.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C18 I20 L25 I26 P474 | C18-G22 WeakPolarHBondContact O-CA 3.47Å; C18-G22 PolarHBondContact O-N 3.29Å; I20-G22 PolarHBondContact O-N 3.43Å; G22-L25 PolarHBondContact O-N 3.05Å; G22-I26 PolarHBondContact O-N 3.38Å; G22-P474 VanDerWaalsContact CA-CB 3.5Å |
| 23 | N | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74 | -35.9 | -179.4 | -69.9 | -65 | 0 | 0 | 0 | 112.2 | A19 L25 I26 I27 A48 F52 S470 P474 | A19-N23 WeakPolarHBondContact O-CB 3.49Å; A19-N23 PolarHBondContact O-N 2.87Å; A19-N23 VanDerWaalsContact O-N 3.1Å; A19-N23 PolarHBondContact O-ND2 3.36Å; N23-L25 VanDerWaalsContact C-N 3.29Å; N23-L25 PolarHBondContact O-N 3.29Å; N23-I26 WeakPolarHBondContact O-CB 3.5Å; N23-I26 PolarHBondContact O-N 3.24Å; N23-I26 VanDerWaalsContact O-N 3.12Å; N23-I27 WeakPolarHBondContact O-CG1 3.28Å; N23-I27 PolarHBondContact O-N 3.26Å; N23-I27 VanDerWaalsContact O-N 3.07Å; N23-A48 HydrophobicContact CB-CB 4.3Å; N23-F52 HydrophobicContact CB-CB 3.84Å; N23-F52 HydrophobicContact CB-CD2 4.49Å; N23-S470 PolarHBondContact ND2-O 3.1Å; N23-P474 HydrophobicContact CB-CG 4.49Å; N23-P474 WeakPolarHBondContact OD1-CG 3.46Å |
| 24 | A | 97.5 | Very high | 95.2 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -43.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I20 I26 I27 L28 F52 | I20-A24 VanDerWaalsContact O-CB 3.22Å; I20-A24 WeakPolarHBondContact O-CB 3.29Å; I20-A24 PolarHBondContact O-N 3.44Å; A24-I26 VanDerWaalsContact C-N 3.33Å; A24-I26 PolarHBondContact O-N 3.44Å; A24-I27 PolarHBondContact O-N 3.41Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 WeakPolarHBondContact O-CG 3.43Å; A24-L28 PolarHBondContact O-N 3.43Å; A24-F52 HydrophobicContact CB-CD2 4.28Å; A24-F52 HydrophobicContact CB-CE2 4.03Å |
| 25 | L | 96.2 | Very high | 94.7 | Very high | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 176.7 | -74.9 | 171.4 | 0 | 0 | 0 | 113.3 | L21 G22 N23 S29 F488 I491 L492 | L21-L25 VanDerWaalsContact O-CG 3.3Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.12Å; G22-L25 PolarHBondContact O-N 3.05Å; N23-L25 VanDerWaalsContact C-N 3.29Å; N23-L25 PolarHBondContact O-N 3.29Å; L25-S29 VanDerWaalsContact O-CB 3.23Å; L25-S29 WeakPolarHBondContact O-CB 3.36Å; L25-S29 PolarHBondContact O-N 2.95Å; L25-S29 PolarHBondContact O-OG 3.14Å; L25-F488 HydrophobicContact CB-CD1 3.81Å; L25-F488 HydrophobicContact CB-CE1 3.87Å; L25-F488 HydrophobicContact CB-CG 4.29Å; L25-F488 HydrophobicContact CB-CZ 4.38Å; L25-F488 HydrophobicContact CD1-CG 4.49Å; L25-F488 WeakPolarHBondContact O-CE1 3.3Å; L25-I491 HydrophobicContact CD2-CB 4.13Å; L25-I491 HydrophobicContact CD2-CD1 4.47Å; L25-I491 HydrophobicContact CD2-CG2 3.69Å; L25-L492 HydrophobicContact CD1-CD1 4.23Å; L25-L492 HydrophobicContact CD1-CD2 4.29Å; L25-L492 HydrophobicContact CD1-CG 4.36Å; L25-L492 HydrophobicContact CD2-CD2 4.22Å; L25-L492 HydrophobicContact CD2-CG 4.18Å |
| 26 | I | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -53.2 | 173.6 | -60 | 166.1 | 0 | 0 | 0 | 109.9 | G22 N23 A24 S29 V30 A48 P474 Y477 F484 F488 | G22-I26 PolarHBondContact O-N 3.38Å; N23-I26 WeakPolarHBondContact O-CB 3.5Å; N23-I26 PolarHBondContact O-N 3.24Å; N23-I26 VanDerWaalsContact O-N 3.12Å; A24-I26 VanDerWaalsContact C-N 3.33Å; A24-I26 PolarHBondContact O-N 3.44Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 2.92Å; I26-V30 PolarHBondContact O-N 2.77Å; I26-A48 HydrophobicContact CB-CB 3.8Å; I26-A48 HydrophobicContact CD1-CB 3.79Å; I26-A48 HydrophobicContact CG1-CB 4.42Å; I26-A48 HydrophobicContact CG2-CB 3.72Å; I26-P474 HydrophobicContact CD1-CB 4.32Å; I26-P474 HydrophobicContact CD1-CG 3.93Å; I26-Y477 HydrophobicContact CD1-CD2 3.64Å; I26-Y477 HydrophobicContact CD1-CE2 4.02Å; I26-Y477 HydrophobicContact CG1-CD2 4.3Å; I26-F484 HydrophobicContact CG2-CE1 4Å; I26-F484 HydrophobicContact CG2-CZ 4.26Å; I26-F488 HydrophobicContact CG1-CE1 4.34Å; I26-F488 HydrophobicContact CG1-CZ 3.87Å |
| 27 | I | 96.7 | Very high | 94 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -52.9 | -177.4 | -63.2 | 162.9 | 0 | 0 | 0 | 110.2 | N23 A24 S29 V30 L31 A48 F52 | N23-I27 WeakPolarHBondContact O-CG1 3.28Å; N23-I27 PolarHBondContact O-N 3.26Å; N23-I27 VanDerWaalsContact O-N 3.07Å; A24-I27 PolarHBondContact O-N 3.41Å; I27-S29 VanDerWaalsContact C-N 3.26Å; I27-S29 PolarHBondContact O-N 3.22Å; I27-V30 PolarHBondContact O-N 2.93Å; I27-V30 VanDerWaalsContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 3.72Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CG 3.4Å; I27-L31 PolarHBondContact O-N 2.71Å; I27-A48 HydrophobicContact CG1-CB 4.07Å; I27-F52 HydrophobicContact CD1-CB 4.07Å; I27-F52 HydrophobicContact CD1-CG 4.25Å |
| 28 | L | 94.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -32.7 | 178.5 | -64.3 | 175.3 | 0 | 0 | 0 | 112.6 | A24 F32 I491 | A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 WeakPolarHBondContact O-CG 3.43Å; A24-L28 PolarHBondContact O-N 3.43Å; L28-F32 HydrophobicContact CB-CD2 4.17Å; L28-F32 HydrophobicContact CB-CE2 4.16Å; L28-F32 HydrophobicContact CD2-CD2 4.43Å; L28-F32 HydrophobicContact CD2-CE2 3.69Å; L28-F32 HydrophobicContact CD2-CZ 3.86Å; L28-F32 HydrophobicContact CG-CE2 4.35Å; L28-F32 WeakPolarHBondContact O-CB 3.44Å; L28-F32 PolarHBondContact O-N 3.27Å; L28-I491 HydrophobicContact CB-CD1 4.16Å |
| 29 | S | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 175 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | L25 I26 I27 Y33 M36 C487 F488 I491 | L25-S29 VanDerWaalsContact O-CB 3.23Å; L25-S29 WeakPolarHBondContact O-CB 3.36Å; L25-S29 PolarHBondContact O-N 2.95Å; L25-S29 PolarHBondContact O-OG 3.14Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 2.92Å; I27-S29 VanDerWaalsContact C-N 3.26Å; I27-S29 PolarHBondContact O-N 3.22Å; S29-Y33 WeakPolarHBondContact O-CB 3.27Å; S29-Y33 PolarHBondContact O-N 2.98Å; S29-M36 WeakPolarHBondContact O-CB 3.26Å; S29-C487 VanDerWaalsContact OG-CB 3.31Å; S29-C487 WeakPolarHBondContact OG-CB 3.46Å; S29-F488 WeakPolarHBondContact OG-CD1 3.43Å; S29-F488 WeakPolarHBondContact OG-CE1 3.28Å; S29-I491 WeakPolarHBondContact OG-CD1 3.22Å |
| 30 | V | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -79.5 | -38.8 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | I26 I27 Q37 N41 L42 F484 | I26-V30 PolarHBondContact O-N 2.77Å; I27-V30 PolarHBondContact O-N 2.93Å; I27-V30 VanDerWaalsContact O-N 3.07Å; V30-Q37 WeakPolarHBondContact O-CG 3.38Å; V30-Q37 PolarHBondContact O-NE2 3.26Å; V30-N41 HydrophobicContact CG2-CB 4.09Å; V30-L42 HydrophobicContact CG1-CD2 4.13Å; V30-F484 HydrophobicContact CG2-CE1 4.04Å; V30-F484 HydrophobicContact CG2-CZ 4.15Å |
| 31 | L | 92.1 | Very high | 92.8 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.7 | -51.8 | 178.4 | -67.4 | 178.6 | 0 | 0 | 0 | 112.4 | I27 Q37 | I27-L31 HydrophobicContact CG2-CD1 3.72Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CG 3.4Å; I27-L31 PolarHBondContact O-N 2.71Å; L31-Q37 PolarHBondContact O-NE2 3.46Å; L31-Q37 VanDerWaalsContact O-NE2 3.15Å |
| 32 | F | 88.8 | Confident | 92.7 | Very high | 135 Ų | 135 | 46.1 Ų | 46.1 | 59% | 0.592 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -82.9 | -30.6 | -171.7 | -63.4 | -32.5 | 0 | 0 | 0 | 114.8 | L28 | L28-F32 HydrophobicContact CB-CD2 4.17Å; L28-F32 HydrophobicContact CB-CE2 4.16Å; L28-F32 HydrophobicContact CD2-CD2 4.43Å; L28-F32 HydrophobicContact CD2-CE2 3.69Å; L28-F32 HydrophobicContact CD2-CZ 3.86Å; L28-F32 HydrophobicContact CG-CE2 4.35Å; L28-F32 WeakPolarHBondContact O-CB 3.44Å; L28-F32 PolarHBondContact O-N 3.27Å |
| 33 | Y | 88.7 | Confident | 92.6 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 18% | 0.184 | 25% | 0.246 | C | C | . | . | trans | -99 | 103.5 | -177.4 | -64.7 | -88.6 | 0 | 0 | 0 | 111.2 | S29 G35 M36 C487 E490 I491 | S29-Y33 WeakPolarHBondContact O-CB 3.27Å; S29-Y33 PolarHBondContact O-N 2.98Å; Y33-G35 PolarHBondContact O-N 3.48Å; Y33-M36 WeakPolarHBondContact O-CA 3.46Å; Y33-M36 WeakPolarHBondContact O-CB 3.45Å; Y33-M36 PolarHBondContact O-N 3.03Å; Y33-C487 HydrophobicContact CD2-CB 4.18Å; Y33-C487 HydrophobicContact CE2-CB 4.17Å; Y33-E490 VanDerWaalsContact OH-CB 3.31Å; Y33-E490 WeakPolarHBondContact OH-CB 3.25Å; Y33-I491 HydrophobicContact CE2-CD1 4.09Å; Y33-I491 HydrophobicContact CE2-CG1 3.92Å | ||
| 34 | R | 86.4 | Confident | 92.5 | Very high | 211 Ų | 211 | 46.6 Ų | 46.6 | 80% | 0.796 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -50 | -35.4 | 176 | -70.5 | -174.5 | 177.9 | -174.7 | -2.5 | 114 | M36 Q37 | R34-M36 PolarHBondContact O-N 3.48Å; R34-Q37 WeakPolarHBondContact O-CB 3.38Å; R34-Q37 PolarHBondContact O-N 3.25Å |
| 35 | G | 87 | Confident | 92.4 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 83% | 0.825 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -67.2 | -20.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y33 | Y33-G35 PolarHBondContact O-N 3.48Š|
| 36 | M | 89.5 | Confident | 92.4 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -88.2 | -8.7 | 174.5 | -64.6 | -63.8 | -76.6 | 0 | 0 | 112.9 | S29 Y33 R34 S38 N41 D483 F484 | S29-M36 WeakPolarHBondContact O-CB 3.26Å; Y33-M36 WeakPolarHBondContact O-CA 3.46Å; Y33-M36 WeakPolarHBondContact O-CB 3.45Å; Y33-M36 PolarHBondContact O-N 3.03Å; R34-M36 PolarHBondContact O-N 3.48Å; M36-S38 PolarHBondContact O-N 3.3Å; M36-N41 WeakPolarHBondContact O-CB 3.33Å; M36-N41 PolarHBondContact O-ND2 3.07Å; M36-D483 HydrophobicContact CE-CB 4.35Å; M36-D483 HydrophobicContact SD-CB 3.98Å; M36-F484 HydrophobicContact CE-CD1 3.49Å; M36-F484 VanDerWaalsContact CE-CD1 3.49Å; M36-F484 HydrophobicContact CE-CD2 3.99Å; M36-F484 HydrophobicContact CE-CE1 3.5Å; M36-F484 HydrophobicContact CE-CE2 3.98Å; M36-F484 HydrophobicContact CE-CG 3.73Å; M36-F484 HydrophobicContact CE-CZ 3.75Å |
| 37 | Q | 90 | Very high | 92.5 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | trans | -79.6 | 56.1 | -178.6 | -63.9 | 176.6 | -7 | 0 | 0 | 112.2 | V30 L31 R34 K120 | V30-Q37 WeakPolarHBondContact O-CG 3.38Å; V30-Q37 PolarHBondContact O-NE2 3.26Å; L31-Q37 PolarHBondContact O-NE2 3.46Å; L31-Q37 VanDerWaalsContact O-NE2 3.15Å; R34-Q37 WeakPolarHBondContact O-CB 3.38Å; R34-Q37 PolarHBondContact O-N 3.25Å; Q37-K120 WeakPolarHBondContact O-CE 3.31Å; Q37-K120 PolarHBondContact O-NZ 3.03Å | ||
| 38 | S | 90.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | trans | -88.2 | 160.7 | 169.9 | 74.7 | 0 | 0 | 0 | 0 | 110.8 | M36 A40 N41 L42 | M36-S38 PolarHBondContact O-N 3.3Å; S38-A40 PolarHBondContact O-N 2.86Å; S38-N41 PolarHBondContact O-N 2.96Å; S38-N41 WeakPolarHBondContact OG-CB 3.43Å; S38-N41 PolarHBondContact OG-N 2.97Å; S38-N41 PolarHBondContact OG-ND2 3.46Å; S38-L42 WeakPolarHBondContact O-CG 3.18Å; S38-L42 PolarHBondContact O-N 3.36Å | ||
| 39 | T | 91.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.7 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | N41 L42 L43 Q118 K120 S123 | T39-N41 VanDerWaalsContact C-N 3.32Å; T39-N41 PolarHBondContact O-N 3.02Å; T39-L42 WeakPolarHBondContact O-CB 3.46Å; T39-L42 PolarHBondContact O-N 3.37Å; T39-L43 PolarHBondContact O-N 3.47Å; T39-Q118 HydrophobicContact CG2-CG 4.11Å; T39-Q118 WeakPolarHBondContact OG1-CG 3.43Å; T39-Q118 PolarHBondContact OG1-NE2 2.89Å; T39-K120 HydrophobicContact CG2-CG 3.99Å; T39-S123 WeakPolarHBondContact CB-OG 3.27Å; T39-S123 WeakPolarHBondContact CG2-OG 3.04Å |
| 40 | A | 90.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -44.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S38 L42 L43 L44 | S38-A40 PolarHBondContact O-N 2.86Å; A40-L42 VanDerWaalsContact C-N 3.35Å; A40-L42 PolarHBondContact O-N 2.94Å; A40-L43 WeakPolarHBondContact O-CB 3.48Å; A40-L43 PolarHBondContact O-N 3.21Å; A40-L44 WeakPolarHBondContact O-CG 3.22Å; A40-L44 PolarHBondContact O-N 3.02Å; A40-L44 VanDerWaalsContact O-N 3.07Å |
| 41 | N | 93 | Very high | 93.2 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.3 | -25.8 | -179.9 | -66.4 | -12.3 | 0 | 0 | 0 | 113.1 | V30 M36 S38 T39 S45 | V30-N41 HydrophobicContact CG2-CB 4.09Å; M36-N41 WeakPolarHBondContact O-CB 3.33Å; M36-N41 PolarHBondContact O-ND2 3.07Å; S38-N41 PolarHBondContact O-N 2.96Å; S38-N41 WeakPolarHBondContact OG-CB 3.43Å; S38-N41 PolarHBondContact OG-N 2.97Å; S38-N41 PolarHBondContact OG-ND2 3.46Å; T39-N41 VanDerWaalsContact C-N 3.32Å; T39-N41 PolarHBondContact O-N 3.02Å; N41-S45 WeakPolarHBondContact O-CB 3.41Å; N41-S45 PolarHBondContact O-N 3.04Å |
| 42 | L | 94.6 | Very high | 93.5 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 170.1 | -71.5 | 171 | 0 | 0 | 0 | 111.2 | V30 S38 T39 A40 S45 S46 K120 | V30-L42 HydrophobicContact CG1-CD2 4.13Å; S38-L42 WeakPolarHBondContact O-CG 3.18Å; S38-L42 PolarHBondContact O-N 3.36Å; T39-L42 WeakPolarHBondContact O-CB 3.46Å; T39-L42 PolarHBondContact O-N 3.37Å; A40-L42 VanDerWaalsContact C-N 3.35Å; A40-L42 PolarHBondContact O-N 2.94Å; L42-S45 PolarHBondContact O-N 2.88Å; L42-S46 PolarHBondContact O-N 3.34Å; L42-K120 HydrophobicContact CD1-CB 4.4Å; L42-K120 HydrophobicContact CD1-CD 4.5Å; L42-K120 HydrophobicContact CD1-CG 4.24Å |
| 43 | L | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 174.1 | -57.5 | 179.3 | 0 | 0 | 0 | 111.3 | T39 A40 S45 S46 L47 V99 I100 D103 L127 | T39-L43 PolarHBondContact O-N 3.47Å; A40-L43 WeakPolarHBondContact O-CB 3.48Å; A40-L43 PolarHBondContact O-N 3.21Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.33Å; L43-S46 PolarHBondContact O-N 3.18Å; L43-L47 PolarHBondContact O-N 3.25Å; L43-L47 VanDerWaalsContact O-N 3.1Å; L43-V99 HydrophobicContact CD1-CG1 4.14Å; L43-V99 HydrophobicContact CD2-CG1 3.68Å; L43-V99 HydrophobicContact CG-CG1 4.5Å; L43-I100 HydrophobicContact CB-CD1 4.5Å; L43-I100 HydrophobicContact CB-CG1 3.75Å; L43-I100 HydrophobicContact CD1-CG1 4.42Å; L43-D103 HydrophobicContact CD1-CB 3.54Å; L43-D103 VanDerWaalsContact CD1-CG 3.45Å; L43-L127 HydrophobicContact CD2-CD1 4.09Å; L43-L127 HydrophobicContact CD2-CD2 3.63Å; L43-L127 HydrophobicContact CD2-CG 3.83Å |
| 44 | L | 95 | Very high | 94.4 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 174.5 | -63.4 | 178.4 | 0 | 0 | 0 | 112.6 | A40 A48 I100 Y477 F484 | A40-L44 WeakPolarHBondContact O-CG 3.22Å; A40-L44 PolarHBondContact O-N 3.02Å; A40-L44 VanDerWaalsContact O-N 3.07Å; L44-A48 WeakPolarHBondContact O-CB 3.32Å; L44-A48 PolarHBondContact O-N 3.02Å; L44-I100 HydrophobicContact CD2-CD1 4Å; L44-Y477 HydrophobicContact CD1-CE1 4.39Å; L44-Y477 HydrophobicContact CD2-CE1 3.95Å; L44-Y477 WeakPolarHBondContact CD2-OH 3.35Å; L44-F484 HydrophobicContact CD1-CE2 3.85Å; L44-F484 HydrophobicContact CD1-CZ 4.37Å |
| 45 | S | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 175.9 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | N41 L42 L43 A48 T49 | N41-S45 WeakPolarHBondContact O-CB 3.41Å; N41-S45 PolarHBondContact O-N 3.04Å; L42-S45 PolarHBondContact O-N 2.88Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.33Å; S45-A48 PolarHBondContact O-N 2.68Å; S45-T49 PolarHBondContact O-N 3.46Å; S45-T49 PolarHBondContact O-OG1 3.01Å |
| 46 | S | 97.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71 | -38.5 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | L42 L43 T49 A50 N96 L127 W131 | L42-S46 PolarHBondContact O-N 3.34Å; L43-S46 PolarHBondContact O-N 3.18Å; S46-T49 WeakPolarHBondContact O-CB 3.41Å; S46-T49 PolarHBondContact O-N 3.36Å; S46-A50 PolarHBondContact O-N 2.94Å; S46-A50 VanDerWaalsContact O-N 3.11Å; S46-N96 WeakPolarHBondContact CB-OD1 3.39Å; S46-N96 PolarHBondContact OG-OD1 3.15Å; S46-L127 WeakPolarHBondContact OG-CD2 3.49Å; S46-W131 PolarHBondContact OG-NE1 3.11Å; S46-W131 VanDerWaalsContact OG-NE1 3.14Å |
| 47 | L | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -50.7 | 168.1 | 179.4 | 63.9 | 0 | 0 | 0 | 111.1 | L43 T49 A50 D51 S93 N96 L97 I100 | L43-L47 PolarHBondContact O-N 3.25Å; L43-L47 VanDerWaalsContact O-N 3.1Å; L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 3.47Å; L47-A50 WeakPolarHBondContact O-CB 3.29Å; L47-A50 PolarHBondContact O-N 3.23Å; L47-D51 PolarHBondContact O-N 2.97Å; L47-S93 WeakPolarHBondContact CD1-O 3.03Å; L47-S93 WeakPolarHBondContact CD1-OG 3.34Å; L47-N96 HydrophobicContact CB-CB 4.08Å; L47-N96 HydrophobicContact CD1-CB 4.06Å; L47-L97 HydrophobicContact CD1-CD2 4.28Å; L47-L97 HydrophobicContact CD1-CG 4.09Å; L47-L97 HydrophobicContact CD2-CD2 3.62Å; L47-L97 HydrophobicContact CD2-CG 4.35Å; L47-I100 HydrophobicContact CB-CD1 4.29Å; L47-I100 HydrophobicContact CD2-CD1 4Å |
| 48 | A | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -31.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | N23 I26 I27 L44 S45 F52 | N23-A48 HydrophobicContact CB-CB 4.3Å; I26-A48 HydrophobicContact CB-CB 3.8Å; I26-A48 HydrophobicContact CD1-CB 3.79Å; I26-A48 HydrophobicContact CG1-CB 4.42Å; I26-A48 HydrophobicContact CG2-CB 3.72Å; I27-A48 HydrophobicContact CG1-CB 4.07Å; L44-A48 WeakPolarHBondContact O-CB 3.32Å; L44-A48 PolarHBondContact O-N 3.02Å; S45-A48 PolarHBondContact O-N 2.68Å; A48-F52 WeakPolarHBondContact O-CB 3.35Å; A48-F52 PolarHBondContact O-N 3.09Å |
| 49 | T | 98.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 21.5 Ų | 21.5 | 29% | 0.288 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 172.3 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | S45 S46 L47 L53 W131 | S45-T49 PolarHBondContact O-N 3.46Å; S45-T49 PolarHBondContact O-OG1 3.01Å; S46-T49 WeakPolarHBondContact O-CB 3.41Å; S46-T49 PolarHBondContact O-N 3.36Å; L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 3.47Å; T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 WeakPolarHBondContact O-CB 3.47Å; T49-L53 VanDerWaalsContact O-CG 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.41Å; T49-L53 PolarHBondContact O-N 3.2Å; T49-W131 HydrophobicContact CG2-CH2 4.35Å; T49-W131 HydrophobicContact CG2-CZ2 4.14Å |
| 50 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -50.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S46 L47 F52 L53 I54 A92 W131 | S46-A50 PolarHBondContact O-N 2.94Å; S46-A50 VanDerWaalsContact O-N 3.11Å; L47-A50 WeakPolarHBondContact O-CB 3.29Å; L47-A50 PolarHBondContact O-N 3.23Å; A50-F52 VanDerWaalsContact C-N 3.33Å; A50-F52 PolarHBondContact O-N 3.25Å; A50-L53 PolarHBondContact O-N 2.83Å; A50-L53 VanDerWaalsContact O-N 3.15Å; A50-I54 WeakPolarHBondContact O-CG1 3.43Å; A50-I54 PolarHBondContact O-N 3.27Å; A50-A92 HydrophobicContact CB-CB 4.17Å; A50-W131 HydrophobicContact CB-CH2 3.87Å; A50-W131 HydrophobicContact CB-CZ2 4.12Å |
| 51 | D | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -32.7 | -178.8 | -61.2 | -19.7 | 0 | 0 | 0 | 112.7 | L47 I54 A55 S93 N473 | L47-D51 PolarHBondContact O-N 2.97Å; D51-I54 PolarHBondContact O-N 3.32Å; D51-A55 WeakPolarHBondContact O-CB 3.34Å; D51-A55 PolarHBondContact O-N 3.48Å; D51-S93 PolarHBondContact OD1-OG 3.25Å; D51-N473 PolarHBondContact OD2-ND2 3.38Å |
| 52 | F | 98.5 | Very high | 97.1 | Very high | 58 Ų | 58 | 22 Ų | 22 | 25% | 0.254 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 170.7 | 177.4 | -96.8 | 0 | 0 | 0 | 111.9 | I20 N23 A24 I27 A48 A50 I54 A55 V56 | I20-F52 HydrophobicContact CG2-CD2 4.43Å; I20-F52 HydrophobicContact CG2-CE2 3.84Å; N23-F52 HydrophobicContact CB-CB 3.84Å; N23-F52 HydrophobicContact CB-CD2 4.49Å; A24-F52 HydrophobicContact CB-CD2 4.28Å; A24-F52 HydrophobicContact CB-CE2 4.03Å; I27-F52 HydrophobicContact CD1-CB 4.07Å; I27-F52 HydrophobicContact CD1-CG 4.25Å; A48-F52 WeakPolarHBondContact O-CB 3.35Å; A48-F52 PolarHBondContact O-N 3.09Å; A50-F52 VanDerWaalsContact C-N 3.33Å; A50-F52 PolarHBondContact O-N 3.25Å; F52-I54 VanDerWaalsContact C-N 3.34Å; F52-A55 PolarHBondContact O-N 3.01Å; F52-V56 HydrophobicContact CD1-CG2 4.27Å; F52-V56 HydrophobicContact CD2-CG2 4.3Å; F52-V56 HydrophobicContact CE1-CG2 3.87Å; F52-V56 HydrophobicContact CE2-CG2 3.9Å; F52-V56 HydrophobicContact CG-CG2 4.47Å; F52-V56 HydrophobicContact CZ-CG2 3.68Å; F52-V56 WeakPolarHBondContact O-CG2 3.17Å; F52-V56 PolarHBondContact O-N 3.43Å |
| 53 | L | 98.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 21 Ų | 21 | 30% | 0.298 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.5 | -35.5 | 176.3 | -72 | 172.5 | 0 | 0 | 0 | 111.7 | T49 A50 A55 V56 V57 L89 W131 | T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 WeakPolarHBondContact O-CB 3.47Å; T49-L53 VanDerWaalsContact O-CG 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.41Å; T49-L53 PolarHBondContact O-N 3.2Å; A50-L53 PolarHBondContact O-N 2.83Å; A50-L53 VanDerWaalsContact O-N 3.15Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.4Å; L53-V56 PolarHBondContact O-N 3.1Å; L53-V57 HydrophobicContact CD2-CG2 4.4Å; L53-V57 VanDerWaalsContact O-CB 3.25Å; L53-V57 WeakPolarHBondContact O-CB 3.4Å; L53-V57 WeakPolarHBondContact O-CG2 3.28Å; L53-V57 PolarHBondContact O-N 2.68Å; L53-L89 HydrophobicContact CB-CD1 3.66Å; L53-L89 HydrophobicContact CB-CD2 3.81Å; L53-L89 HydrophobicContact CB-CG 4.41Å; L53-L89 HydrophobicContact CD1-CD2 3.96Å; L53-W131 HydrophobicContact CD1-CH2 4.02Å; L53-W131 HydrophobicContact CD1-CZ3 4.32Å |
| 54 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -58.1 | -47.6 | 170 | -66.9 | 172.4 | 0 | 0 | 0 | 109.6 | A50 D51 F52 V56 L58 M59 L89 Y467 | A50-I54 WeakPolarHBondContact O-CG1 3.43Å; A50-I54 PolarHBondContact O-N 3.27Å; D51-I54 PolarHBondContact O-N 3.32Å; F52-I54 VanDerWaalsContact C-N 3.34Å; I54-V56 PolarHBondContact O-N 3.49Å; I54-L58 HydrophobicContact CB-CD1 4.36Å; I54-L58 HydrophobicContact CG1-CD1 4.09Å; I54-L58 HydrophobicContact CG2-CD1 4.29Å; I54-L58 WeakPolarHBondContact O-CA 3.37Å; I54-L58 WeakPolarHBondContact O-CB 3.48Å; I54-L58 PolarHBondContact O-N 3.16Å; I54-M59 PolarHBondContact O-N 2.86Å; I54-L89 HydrophobicContact CD1-CB 4.23Å; I54-L89 HydrophobicContact CG1-CB 3.63Å; I54-L89 HydrophobicContact CG1-CD1 4.14Å; I54-Y467 HydrophobicContact CG2-CD1 3.63Å; I54-Y467 HydrophobicContact CG2-CE1 3.85Å; I54-Y467 HydrophobicContact CG2-CG 4.5Å |
| 55 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -70.2 | -30.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C16 A19 I20 D51 F52 L53 M59 P60 | C16-A55 PolarHBondContact SG-O 2.89Å; C16-A55 VanDerWaalsContact SG-O 3.41Å; A19-A55 HydrophobicContact CB-CB 3.61Å; I20-A55 HydrophobicContact CG1-CB 3.68Å; D51-A55 WeakPolarHBondContact O-CB 3.34Å; D51-A55 PolarHBondContact O-N 3.48Å; F52-A55 PolarHBondContact O-N 3.01Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.4Å; A55-M59 HydrophobicContact CB-CE 4.42Å; A55-M59 HydrophobicContact CB-SD 3.82Å; A55-P60 WeakPolarHBondContact O-CD 3.31Å |
| 56 | V | 98.1 | Very high | 96.8 | Very high | 64 Ų | 64 | 26 Ų | 26 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -90.1 | -34.5 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 112.8 | I20 F52 L53 I54 P60 | I20-V56 HydrophobicContact CD1-CG2 4.12Å; I20-V56 HydrophobicContact CG1-CG2 3.93Å; I20-V56 HydrophobicContact CG2-CG2 4.24Å; F52-V56 HydrophobicContact CD1-CG2 4.27Å; F52-V56 HydrophobicContact CD2-CG2 4.3Å; F52-V56 HydrophobicContact CE1-CG2 3.87Å; F52-V56 HydrophobicContact CE2-CG2 3.9Å; F52-V56 HydrophobicContact CG-CG2 4.47Å; F52-V56 HydrophobicContact CZ-CG2 3.68Å; F52-V56 WeakPolarHBondContact O-CG2 3.17Å; F52-V56 PolarHBondContact O-N 3.43Å; L53-V56 PolarHBondContact O-N 3.1Å; I54-V56 PolarHBondContact O-N 3.49Å; V56-P60 WeakPolarHBondContact O-CG 3.26Å |
| 57 | V | 97.3 | Very high | 96.6 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 38% | 0.382 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -101.8 | -38.3 | -171.8 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | L53 V61 V85 | L53-V57 HydrophobicContact CD2-CG2 4.4Å; L53-V57 VanDerWaalsContact O-CB 3.25Å; L53-V57 WeakPolarHBondContact O-CB 3.4Å; L53-V57 WeakPolarHBondContact O-CG2 3.28Å; L53-V57 PolarHBondContact O-N 2.68Å; V57-V61 WeakPolarHBondContact O-CG2 3.49Å; V57-V85 HydrophobicContact CG1-CG1 4.08Å |
| 58 | L | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -99.9 | -45.8 | -170.6 | -59.3 | 174.3 | 0 | 0 | 0 | 113.1 | I54 V61 A62 W82 V85 H86 L89 Y467 | I54-L58 HydrophobicContact CB-CD1 4.36Å; I54-L58 HydrophobicContact CG1-CD1 4.09Å; I54-L58 HydrophobicContact CG2-CD1 4.29Å; I54-L58 WeakPolarHBondContact O-CA 3.37Å; I54-L58 WeakPolarHBondContact O-CB 3.48Å; I54-L58 PolarHBondContact O-N 3.16Å; L58-V61 PolarHBondContact O-N 3.05Å; L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 3.42Å; L58-W82 HydrophobicContact CD2-CG 4.37Å; L58-W82 PolarHBondContact O-NE1 3.4Å; L58-V85 HydrophobicContact CD2-CB 4.11Å; L58-V85 HydrophobicContact CD2-CG1 3.89Å; L58-V85 HydrophobicContact CG-CG1 4.36Å; L58-H86 HydrophobicContact CD1-CB 4.11Å; L58-H86 HydrophobicContact CD2-CB 4.2Å; L58-L89 HydrophobicContact CD1-CB 4.41Å; L58-L89 HydrophobicContact CD1-CD1 3.97Å; L58-L89 HydrophobicContact CG-CD1 4.3Å; L58-Y467 HydrophobicContact CB-CE1 4.27Å; L58-Y467 HydrophobicContact CD1-CE1 4.5Å |
| 59 | M | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -43.2 | 180 | -72.9 | 178.1 | 176.3 | 0 | 0 | 113.2 | C16 A19 I54 A55 V61 A62 L63 W464 Y467 | C16-M59 HydrophobicContact CB-CB 4.37Å; C16-M59 HydrophobicContact CB-SD 3.98Å; A19-M59 HydrophobicContact CB-CE 3.9Å; A19-M59 HydrophobicContact CB-SD 4.21Å; I54-M59 PolarHBondContact O-N 2.86Å; A55-M59 HydrophobicContact CB-CE 4.42Å; A55-M59 HydrophobicContact CB-SD 3.82Å; M59-V61 PolarHBondContact O-N 3.22Å; M59-A62 PolarHBondContact O-N 3.15Å; M59-L63 WeakPolarHBondContact O-CG 3.47Å; M59-L63 PolarHBondContact O-N 2.95Å; M59-W464 HydrophobicContact CB-CH2 4.33Å; M59-W464 HydrophobicContact CB-CZ3 4.42Å; M59-W464 HydrophobicContact CG-CH2 4.48Å; M59-W464 HydrophobicContact CG-CZ3 4.12Å; M59-Y467 HydrophobicContact CE-CG 4.35Å; M59-Y467 WeakPolarHBondContact CE-O 3.23Å; M59-Y467 HydrophobicContact CG-CD2 3.95Å; M59-Y467 HydrophobicContact CG-CE2 4.42Å; M59-Y467 HydrophobicContact CG-CG 4.1Å |
| 60 | P | 96.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 37.5 Ų | 37.5 | 29% | 0.292 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68 | -35.2 | -178.9 | -23.1 | 37.1 | 0 | 0 | 0 | 112.9 | A55 V56 L63 L64 | A55-P60 WeakPolarHBondContact O-CD 3.31Å; V56-P60 WeakPolarHBondContact O-CG 3.26Å; P60-L63 PolarHBondContact O-N 3.01Å; P60-L64 WeakPolarHBondContact O-CG 3.41Å; P60-L64 PolarHBondContact O-N 3.32Å; P60-L64 VanDerWaalsContact O-N 3.12Å |
| 61 | V | 95.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 175 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | V57 L58 M59 L64 D65 W72 F74 W82 | V57-V61 WeakPolarHBondContact O-CG2 3.49Å; L58-V61 PolarHBondContact O-N 3.05Å; M59-V61 PolarHBondContact O-N 3.22Å; V61-L64 PolarHBondContact O-N 3.28Å; V61-D65 PolarHBondContact O-N 2.85Å; V61-W72 HydrophobicContact CG1-CH2 3.49Å; V61-W72 VanDerWaalsContact CG1-CH2 3.49Å; V61-W72 HydrophobicContact CG1-CZ3 3.88Å; V61-F74 HydrophobicContact CG1-CE2 4.15Å; V61-W82 VanDerWaalsContact CG1-CD1 3.47Å; V61-W82 HydrophobicContact CG1-CG 4.05Å |
| 62 | A | 95.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L58 M59 L64 F66 W82 W464 Y467 | L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 3.42Å; M59-A62 PolarHBondContact O-N 3.15Å; A62-L64 VanDerWaalsContact C-N 3.32Å; A62-F66 WeakPolarHBondContact O-CB 3.34Å; A62-F66 PolarHBondContact O-N 2.9Å; A62-F66 VanDerWaalsContact O-N 3.07Å; A62-W82 HydrophobicContact CB-CZ2 4.28Å; A62-W464 HydrophobicContact CB-CH2 4.45Å; A62-W464 HydrophobicContact CB-CZ2 3.96Å; A62-Y467 HydrophobicContact CB-CE2 3.8Å |
| 63 | L | 95.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.12 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 170.9 | -75.8 | 172.8 | 0 | 0 | 0 | 111.5 | L9 L12 C16 M59 P60 A67 W464 | L9-L63 HydrophobicContact CD2-CD2 4.16Å; L12-L63 HydrophobicContact CB-CD2 3.51Å; C16-L63 HydrophobicContact CB-CD1 4.42Å; M59-L63 WeakPolarHBondContact O-CG 3.47Å; M59-L63 PolarHBondContact O-N 2.95Å; P60-L63 PolarHBondContact O-N 3.01Å; L63-A67 VanDerWaalsContact O-CB 3.22Å; L63-A67 WeakPolarHBondContact O-CB 3.37Å; L63-A67 PolarHBondContact O-N 2.85Å; L63-W464 HydrophobicContact CD2-CH2 3.72Å; L63-W464 HydrophobicContact CD2-CZ2 3.84Å; L63-W464 HydrophobicContact CG-CH2 3.78Å; L63-W464 HydrophobicContact CG-CZ2 4.09Å |
| 64 | L | 94.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 38% | 0.382 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.5 | -42.8 | 179.5 | -69.2 | 169.7 | 0 | 0 | 0 | 111.5 | P60 V61 A62 F66 A67 Y68 F74 | P60-L64 WeakPolarHBondContact O-CG 3.41Å; P60-L64 PolarHBondContact O-N 3.32Å; P60-L64 VanDerWaalsContact O-N 3.12Å; V61-L64 PolarHBondContact O-N 3.28Å; A62-L64 VanDerWaalsContact C-N 3.32Å; L64-F66 PolarHBondContact O-N 3.24Å; L64-A67 PolarHBondContact O-N 3.04Å; L64-Y68 HydrophobicContact CD2-CE2 4.26Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 3.33Å; L64-F74 HydrophobicContact CB-CE2 4.37Å; L64-F74 HydrophobicContact CB-CZ 4.47Å; L64-F74 HydrophobicContact CD1-CE2 4.47Å; L64-F74 HydrophobicContact CD1-CZ 3.8Å |
| 65 | D | 92.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 174.2 | -174.2 | 67.1 | 0 | 0 | 0 | 112 | V61 A67 Y68 D69 H70 W72 | V61-D65 PolarHBondContact O-N 2.85Å; D65-A67 PolarHBondContact O-N 3.25Å; D65-Y68 PolarHBondContact O-N 2.95Å; D65-D69 PolarHBondContact O-N 3.04Å; D65-H70 WeakPolarHBondContact O-CA 3.26Å; D65-H70 PolarHBondContact O-N 3.02Å; D65-H70 IonicContact OD2-CE1 3.57Å; D65-H70 IonicContact OD2-CG 3.39Å; D65-H70 IonicContact OD2-ND1 3.77Å; D65-H70 PolarHBondContact OD2-ND1 3.38Å; D65-W72 HydrophobicContact CB-CE3 4.31Å; D65-W72 HydrophobicContact CB-CZ3 4.3Å |
| 66 | F | 92.9 | Very high | 92.6 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.5 | -174.9 | -97.1 | 0 | 0 | 0 | 112.5 | T5 A8 L9 A62 L64 Y68 D69 | T5-F66 HydrophobicContact CG2-CD1 4.41Å; T5-F66 HydrophobicContact CG2-CE1 3.9Å; A8-F66 HydrophobicContact CB-CE1 3.79Å; A8-F66 HydrophobicContact CB-CZ 3.95Å; L9-F66 HydrophobicContact CD2-CD1 3.78Å; L9-F66 HydrophobicContact CD2-CE1 4.48Å; L9-F66 HydrophobicContact CG-CD1 3.99Å; L9-F66 HydrophobicContact CG-CE1 4.23Å; A62-F66 WeakPolarHBondContact O-CB 3.34Å; A62-F66 PolarHBondContact O-N 2.9Å; A62-F66 VanDerWaalsContact O-N 3.07Å; L64-F66 PolarHBondContact O-N 3.24Å; F66-Y68 VanDerWaalsContact C-N 3.27Å; F66-Y68 PolarHBondContact O-N 3.37Å; F66-D69 PolarHBondContact O-N 3.4Å |
| 67 | A | 93.5 | Very high | 92.2 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -28.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 L9 L63 L64 D65 | M1-A67 HydrophobicContact CE-CB 4.11Å; M1-A67 WeakPolarHBondContact CE-O 3.34Å; L9-A67 HydrophobicContact CD1-CB 3.85Å; L9-A67 HydrophobicContact CD2-CB 3.93Å; L63-A67 VanDerWaalsContact O-CB 3.22Å; L63-A67 WeakPolarHBondContact O-CB 3.37Å; L63-A67 PolarHBondContact O-N 2.85Å; L64-A67 PolarHBondContact O-N 3.04Å; D65-A67 PolarHBondContact O-N 3.25Å |
| 68 | Y | 91.7 | Very high | 92 | Very high | 116 Ų | 116 | 56 Ų | 56 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 21.4 | 177.8 | -70.3 | -68.1 | 0 | 0 | 0 | 113.5 | L64 D65 F66 H70 R71 Q73 | L64-Y68 HydrophobicContact CD2-CE2 4.26Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 3.33Å; D65-Y68 PolarHBondContact O-N 2.95Å; F66-Y68 VanDerWaalsContact C-N 3.27Å; F66-Y68 PolarHBondContact O-N 3.37Å; Y68-H70 VanDerWaalsContact C-N 3.27Å; Y68-H70 PolarHBondContact O-N 3.41Å; Y68-R71 WeakPolarHBondContact O-CB 3.49Å; Y68-R71 PolarHBondContact O-N 3.47Å; Y68-R71 VanDerWaalsContact O-N 3.08Å; Y68-Q73 HydrophobicContact CD1-CG 4.03Å; Y68-Q73 HydrophobicContact CD2-CG 3.53Å; Y68-Q73 HydrophobicContact CE1-CG 4.45Å; Y68-Q73 HydrophobicContact CE2-CG 4Å; Y68-Q73 HydrophobicContact CG-CG 3.56Å |
| 69 | D | 88.3 | Confident | 91.7 | Very high | 111 Ų | 111 | 56 Ų | 56 | 59% | 0.594 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 43.6 | 173.7 | -178.2 | 44.7 | 0 | 0 | 0 | 110.8 | D65 F66 R71 | D65-D69 PolarHBondContact O-N 3.04Å; F66-D69 PolarHBondContact O-N 3.4Å; D69-R71 PolarHBondContact O-N 2.85Å; D69-R71 IonicContact OD2-CZ 3.92Å; D69-R71 IonicContact OD2-NH1 2.78Å; D69-R71 PolarHBondContact OD2-NH1 3.08Å |
| 70 | H | 88.1 | Confident | 91.4 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 15.9 | -175 | -54.5 | -71.6 | 0 | 0 | 0 | 115.8 | D65 Y68 W72 D460 | D65-H70 WeakPolarHBondContact O-CA 3.26Å; D65-H70 PolarHBondContact O-N 3.02Å; D65-H70 IonicContact OD2-CE1 3.57Å; D65-H70 IonicContact OD2-CG 3.39Å; D65-H70 IonicContact OD2-ND1 3.77Å; D65-H70 PolarHBondContact OD2-ND1 3.38Å; Y68-H70 VanDerWaalsContact C-N 3.27Å; Y68-H70 PolarHBondContact O-N 3.41Å; H70-W72 PolarHBondContact O-N 3.43Å; H70-D460 IonicContact CE1-OD1 3.78Å; H70-D460 PolarHBondContact CE1-OD1 3.34Å; H70-D460 IonicContact CE1-OD2 3.75Å; H70-D460 IonicContact NE2-OD1 2.81Å; H70-D460 IonicContact NE2-OD2 3.8Å; H70-D460 PolarHBondContact NE2-OD2 3.34Å |
| 71 | R | 87.8 | Confident | 91.2 | Very high | 132 Ų | 132 | 58.8 Ų | 58.8 | 50% | 0.498 | 28% | 0.283 | S | S | . | . | trans | -81 | 98.9 | 167.1 | -63.3 | -166.5 | -65.3 | -76.6 | -0.8 | 108.3 | Y68 D69 Q73 A154 | Y68-R71 WeakPolarHBondContact O-CB 3.49Å; Y68-R71 PolarHBondContact O-N 3.47Å; Y68-R71 VanDerWaalsContact O-N 3.08Å; D69-R71 PolarHBondContact O-N 2.85Å; D69-R71 IonicContact OD2-CZ 3.92Å; D69-R71 IonicContact OD2-NH1 2.78Å; D69-R71 PolarHBondContact OD2-NH1 3.08Å; R71-Q73 WeakPolarHBondContact O-CG 3.35Å; R71-Q73 PolarHBondContact O-N 2.99Å; R71-Q73 PolarHBondContact O-NE2 2.74Å; R71-A154 CarbonylContact C-O 3.52Å; R71-A154 WeakPolarHBondContact CA-O 3.24Å | ||
| 72 | W | 88.7 | Confident | 91.2 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | trans | -59.6 | 108.4 | -178.9 | -173.4 | -103.6 | 0 | 0 | 0 | 111.1 | V61 D65 H70 F74 D75 T78 C79 W82 A154 C156 | V61-W72 HydrophobicContact CG1-CH2 3.49Å; V61-W72 VanDerWaalsContact CG1-CH2 3.49Å; V61-W72 HydrophobicContact CG1-CZ3 3.88Å; D65-W72 HydrophobicContact CB-CE3 4.31Å; D65-W72 HydrophobicContact CB-CZ3 4.3Å; H70-W72 PolarHBondContact O-N 3.43Å; W72-F74 VanDerWaalsContact C-N 3.34Å; W72-F74 HydrophobicContact CD2-CD2 4.26Å; W72-F74 AromaticContact CE2-CD2 3.94Å; W72-F74 HydrophobicContact CE3-CD2 4.44Å; W72-F74 HydrophobicContact CH2-CD2 4.08Å; W72-F74 HydrophobicContact CZ2-CB 3.98Å; W72-F74 AromaticContact CZ2-CD2 3.83Å; W72-F74 HydrophobicContact CZ2-CD2 3.83Å; W72-F74 HydrophobicContact CZ2-CG 4.31Å; W72-F74 HydrophobicContact CZ3-CD2 4.37Å; W72-F74 PolarHBondContact NE1-O 2.98Å; W72-D75 PolarHBondContact NE1-O 3.2Å; W72-T78 HydrophobicContact CZ2-CG2 3.99Å; W72-C79 VanDerWaalsContact CZ2-CA 3.46Å; W72-C79 HydrophobicContact CZ2-CB 3.84Å; W72-W82 HydrophobicContact CH2-CB 4.25Å; W72-W82 HydrophobicContact CH2-CG 4.28Å; W72-A154 WeakPolarHBondContact CB-O 3.31Å; W72-A154 PolarHBondContact N-O 2.8Å; W72-C156 HydrophobicContact CB-CB 4.27Å; W72-C156 HydrophobicContact CD2-CB 3.34Å; W72-C156 HydrophobicContact CE3-CB 3.39Å; W72-C156 HydrophobicContact CG-CB 3.74Å; W72-C156 HydrophobicContact CH2-CB 4.22Å; W72-C156 HydrophobicContact CZ2-CB 4.2Å; W72-C156 HydrophobicContact CZ3-CB 3.84Å | ||
| 73 | Q | 89.9 | Confident | 91.1 | Very high | 115 Ų | 115 | 58.6 Ų | 58.6 | 54% | 0.537 | 28% | 0.278 | S | S | . | . | trans | -83.1 | -8.2 | -177 | -60.3 | -56.4 | -61.3 | 0 | 0 | 113.8 | Y68 R71 | Y68-Q73 HydrophobicContact CD1-CG 4.03Å; Y68-Q73 HydrophobicContact CD2-CG 3.53Å; Y68-Q73 HydrophobicContact CE1-CG 4.45Å; Y68-Q73 HydrophobicContact CE2-CG 4Å; Y68-Q73 HydrophobicContact CG-CG 3.56Å; R71-Q73 WeakPolarHBondContact O-CG 3.35Å; R71-Q73 PolarHBondContact O-N 2.99Å; R71-Q73 PolarHBondContact O-NE2 2.74Å | ||
| 74 | F | 89.5 | Confident | 91 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -97 | 173.8 | -178.4 | -51.7 | -81.7 | 0 | 0 | 0 | 112.1 | V61 L64 W72 T78 | V61-F74 HydrophobicContact CG1-CE2 4.15Å; L64-F74 HydrophobicContact CB-CE2 4.37Å; L64-F74 HydrophobicContact CB-CZ 4.47Å; L64-F74 HydrophobicContact CD1-CE2 4.47Å; L64-F74 HydrophobicContact CD1-CZ 3.8Å; W72-F74 VanDerWaalsContact C-N 3.34Å; W72-F74 HydrophobicContact CD2-CD2 4.26Å; W72-F74 AromaticContact CE2-CD2 3.94Å; W72-F74 HydrophobicContact CE3-CD2 4.44Å; W72-F74 HydrophobicContact CH2-CD2 4.08Å; W72-F74 HydrophobicContact CZ2-CB 3.98Å; W72-F74 AromaticContact CZ2-CD2 3.83Å; W72-F74 HydrophobicContact CZ2-CD2 3.83Å; W72-F74 HydrophobicContact CZ2-CG 4.31Å; W72-F74 HydrophobicContact CZ3-CD2 4.37Å; W72-F74 PolarHBondContact NE1-O 2.98Å; F74-T78 HydrophobicContact CB-CG2 3.74Å; F74-T78 HydrophobicContact CD1-CG2 4.27Å; F74-T78 HydrophobicContact CD2-CG2 4.37Å; F74-T78 HydrophobicContact CG-CG2 3.89Å |
| 75 | D | 88.6 | Confident | 91.1 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | trans | -78.7 | 176.4 | 178.8 | 86.5 | -50.3 | 0 | 0 | 0 | 113.1 | W72 L77 T78 C79 | W72-D75 PolarHBondContact NE1-O 3.2Å; D75-L77 VanDerWaalsContact C-N 3.33Å; D75-L77 PolarHBondContact O-N 3.23Å; D75-L77 WeakPolarHBondContact OD2-CB 3.41Å; D75-L77 PolarHBondContact OD2-N 3.26Å; D75-T78 PolarHBondContact O-N 3.34Å; D75-T78 VanDerWaalsContact OD1-CB 3.25Å; D75-T78 WeakPolarHBondContact OD1-CB 3.37Å; D75-T78 PolarHBondContact OD1-N 2.96Å; D75-T78 PolarHBondContact OD1-OG1 3.22Å; D75-C79 PolarHBondContact O-N 3.07Å | ||
| 76 | Y | 86.4 | Confident | 91.3 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 176.1 | 172.8 | -87.1 | 0 | 0 | 0 | 112.8 | C79 R80 T149 V151 | Y76-C79 PolarHBondContact O-N 3.32Å; Y76-R80 PolarHBondContact O-N 3.42Å; Y76-T149 WeakPolarHBondContact CE2-O 3.49Å; Y76-V151 HydrophobicContact CD2-CB 4.13Å; Y76-V151 HydrophobicContact CD2-CG2 3.72Å; Y76-V151 HydrophobicContact CE2-CG2 4.49Å; Y76-V151 HydrophobicContact CG-CG2 4.44Å |
| 77 | L | 90.3 | Very high | 91.4 | Very high | 87 Ų | 87 | 53 Ų | 53 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | -179.3 | -177.6 | 58.8 | 0 | 0 | 0 | 110.5 | D75 C79 R80 L81 W142 | D75-L77 VanDerWaalsContact C-N 3.33Å; D75-L77 PolarHBondContact O-N 3.23Å; D75-L77 WeakPolarHBondContact OD2-CB 3.41Å; D75-L77 PolarHBondContact OD2-N 3.26Å; L77-C79 PolarHBondContact O-N 3.25Å; L77-R80 PolarHBondContact O-N 3.14Å; L77-L81 HydrophobicContact CD1-CD1 4.12Å; L77-L81 HydrophobicContact CD1-CG 4.15Å; L77-L81 HydrophobicContact CG-CD1 3.85Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CB 3.32Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 3.41Å; L77-W142 HydrophobicContact CD1-CH2 3.86Å |
| 78 | T | 91.6 | Very high | 91.6 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | W72 F74 D75 L81 W82 | W72-T78 HydrophobicContact CZ2-CG2 3.99Å; F74-T78 HydrophobicContact CB-CG2 3.74Å; F74-T78 HydrophobicContact CD1-CG2 4.27Å; F74-T78 HydrophobicContact CD2-CG2 4.37Å; F74-T78 HydrophobicContact CG-CG2 3.89Å; D75-T78 PolarHBondContact O-N 3.34Å; D75-T78 VanDerWaalsContact OD1-CB 3.25Å; D75-T78 WeakPolarHBondContact OD1-CB 3.37Å; D75-T78 PolarHBondContact OD1-N 2.96Å; D75-T78 PolarHBondContact OD1-OG1 3.22Å; T78-L81 PolarHBondContact O-N 3.45Å; T78-W82 VanDerWaalsContact O-CB 3.3Å; T78-W82 WeakPolarHBondContact O-CB 3.26Å; T78-W82 PolarHBondContact O-N 2.95Å |
| 79 | C | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | W72 D75 Y76 L77 L81 W82 T83 V151 C156 | W72-C79 VanDerWaalsContact CZ2-CA 3.46Å; W72-C79 HydrophobicContact CZ2-CB 3.84Å; D75-C79 PolarHBondContact O-N 3.07Å; Y76-C79 PolarHBondContact O-N 3.32Å; L77-C79 PolarHBondContact O-N 3.25Å; C79-L81 VanDerWaalsContact C-N 3.33Å; C79-L81 PolarHBondContact O-N 3.47Å; C79-W82 PolarHBondContact O-N 3.38Å; C79-T83 PolarHBondContact O-N 2.83Å; C79-T83 PolarHBondContact O-OG1 3.38Å; C79-V151 HydrophobicContact CB-CG2 4.02Å; C79-C156 WeakPolarHBondContact CA-SG 3.5Å; C79-C156 HydrophobicContact CB-CB 3.82Å; C79-C156 WeakPolarHBondContact CB-SG 3.49Å; C79-C156 WeakPolarHBondContact SG-CA 3.3Å; C79-C156 WeakPolarHBondContact SG-CB 3.36Å; C79-C156 CovalentContact SG-SG 2.04Å; C79-C156 PolarHBondContact SG-SG 3.14Å |
| 80 | R | 90.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 179.7 | -164.5 | 179.1 | -173.4 | -162.8 | 6.3 | 112.1 | Y76 L77 T83 S84 Q141 W142 T149 | Y76-R80 PolarHBondContact O-N 3.42Å; L77-R80 PolarHBondContact O-N 3.14Å; R80-T83 PolarHBondContact O-OG1 3.38Å; R80-T83 VanDerWaalsContact O-OG1 3.1Å; R80-S84 WeakPolarHBondContact O-CB 3.13Å; R80-S84 PolarHBondContact O-N 2.91Å; R80-S84 PolarHBondContact O-OG 2.98Å; R80-Q141 PolarHBondContact NH2-O 3.07Å; R80-W142 HydrophobicContact CB-CH2 4.43Å; R80-W142 HydrophobicContact CB-CZ2 4.18Å; R80-W142 HydrophobicContact CG-CH2 4.04Å; R80-W142 HydrophobicContact CG-CZ2 3.62Å; R80-W142 VanDerWaalsContact NH1-CE3 3.34Å; R80-W142 PolarHBondContact NH2-O 2.99Å; R80-T149 WeakPolarHBondContact CB-OG1 3.4Å; R80-T149 WeakPolarHBondContact CG-OG1 3.29Å |
| 81 | L | 93.5 | Very high | 92.7 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 42% | 0.419 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.9 | -48.8 | 173.3 | -73.9 | 172.1 | 0 | 0 | 0 | 111.2 | L77 T78 C79 T83 S84 V85 W142 | L77-L81 HydrophobicContact CD1-CD1 4.12Å; L77-L81 HydrophobicContact CD1-CG 4.15Å; L77-L81 HydrophobicContact CG-CD1 3.85Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CB 3.32Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 3.41Å; T78-L81 PolarHBondContact O-N 3.45Å; C79-L81 VanDerWaalsContact C-N 3.33Å; C79-L81 PolarHBondContact O-N 3.47Å; L81-T83 PolarHBondContact O-N 3.03Å; L81-S84 WeakPolarHBondContact O-CB 3.36Å; L81-S84 PolarHBondContact O-N 2.94Å; L81-S84 VanDerWaalsContact O-N 3.15Å; L81-V85 WeakPolarHBondContact O-CB 3.43Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 3.48Å; L81-W142 HydrophobicContact CD2-CH2 4.18Å; L81-W142 HydrophobicContact CD2-CZ2 3.92Å; L81-W142 HydrophobicContact CG-CZ2 4.38Å |
| 82 | W | 94.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 34.4 Ų | 34.4 | 11% | 0.106 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | -178.9 | -179.8 | 85.1 | 0 | 0 | 0 | 112 | L58 V61 A62 W72 T78 C79 S84 V85 H86 Y158 L463 | L58-W82 HydrophobicContact CD2-CG 4.37Å; L58-W82 PolarHBondContact O-NE1 3.4Å; V61-W82 VanDerWaalsContact CG1-CD1 3.47Å; V61-W82 HydrophobicContact CG1-CG 4.05Å; A62-W82 HydrophobicContact CB-CZ2 4.28Å; W72-W82 HydrophobicContact CH2-CB 4.25Å; W72-W82 HydrophobicContact CH2-CG 4.28Å; T78-W82 VanDerWaalsContact O-CB 3.3Å; T78-W82 WeakPolarHBondContact O-CB 3.26Å; T78-W82 PolarHBondContact O-N 2.95Å; C79-W82 PolarHBondContact O-N 3.38Å; W82-S84 VanDerWaalsContact C-N 3.33Å; W82-S84 PolarHBondContact O-N 2.81Å; W82-V85 PolarHBondContact O-N 2.93Å; W82-H86 VanDerWaalsContact O-CB 3.32Å; W82-H86 WeakPolarHBondContact O-CB 3.27Å; W82-H86 PolarHBondContact O-N 2.86Å; W82-Y158 HydrophobicContact CZ3-CE2 4.4Å; W82-L463 HydrophobicContact CH2-CD2 4.37Å; W82-L463 HydrophobicContact CZ2-CD2 4.47Å |
| 83 | T | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 175.4 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | C79 R80 L81 V87 Q141 T149 Y158 | C79-T83 PolarHBondContact O-N 2.83Å; C79-T83 PolarHBondContact O-OG1 3.38Å; R80-T83 PolarHBondContact O-OG1 3.38Å; R80-T83 VanDerWaalsContact O-OG1 3.1Å; L81-T83 PolarHBondContact O-N 3.03Å; T83-V87 WeakPolarHBondContact O-CG2 3.39Å; T83-V87 PolarHBondContact O-N 3.4Å; T83-V87 VanDerWaalsContact O-N 3.16Å; T83-Q141 PolarHBondContact OG1-NE2 3.26Å; T83-Q141 VanDerWaalsContact OG1-NE2 3.1Å; T83-T149 HydrophobicContact CG2-CG2 4.11Å; T83-T149 WeakPolarHBondContact OG1-CG2 3.31Å; T83-Y158 HydrophobicContact CG2-CD1 3.85Å; T83-Y158 HydrophobicContact CG2-CE1 3.83Å; T83-Y158 HydrophobicContact CG2-CG 4.33Å |
| 84 | S | 94.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 178.2 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | R80 L81 W82 H86 V87 M88 C138 Q141 W142 | R80-S84 WeakPolarHBondContact O-CB 3.13Å; R80-S84 PolarHBondContact O-N 2.91Å; R80-S84 PolarHBondContact O-OG 2.98Å; L81-S84 WeakPolarHBondContact O-CB 3.36Å; L81-S84 PolarHBondContact O-N 2.94Å; L81-S84 VanDerWaalsContact O-N 3.15Å; W82-S84 VanDerWaalsContact C-N 3.33Å; W82-S84 PolarHBondContact O-N 2.81Å; S84-H86 VanDerWaalsContact C-N 3.29Å; S84-H86 PolarHBondContact O-N 2.87Å; S84-V87 PolarHBondContact O-N 3.25Å; S84-M88 WeakPolarHBondContact O-CB 3.13Å; S84-M88 PolarHBondContact O-N 2.86Å; S84-C138 VanDerWaalsContact O-CB 3.3Å; S84-C138 WeakPolarHBondContact O-CB 3.45Å; S84-Q141 PolarHBondContact OG-NE2 3.19Å; S84-W142 PolarHBondContact OG-NE1 3.38Å |
| 85 | V | 96.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.6 | -33.6 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | V57 L58 L81 W82 M88 L89 | V57-V85 HydrophobicContact CG1-CG1 4.08Å; L58-V85 HydrophobicContact CD2-CB 4.11Å; L58-V85 HydrophobicContact CD2-CG1 3.89Å; L58-V85 HydrophobicContact CG-CG1 4.36Å; L81-V85 WeakPolarHBondContact O-CB 3.43Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 3.48Å; W82-V85 PolarHBondContact O-N 2.93Å; V85-M88 HydrophobicContact CG1-CE 4.36Å; V85-M88 PolarHBondContact O-N 3.26Å; V85-L89 HydrophobicContact CG1-CD1 3.57Å; V85-L89 HydrophobicContact CG1-CG 3.96Å; V85-L89 WeakPolarHBondContact O-CB 3.27Å; V85-L89 WeakPolarHBondContact O-CG 3.09Å; V85-L89 PolarHBondContact O-N 3.37Å |
| 86 | H | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.8 | -55.8 | 170.2 | -175.2 | -89.7 | 0 | 0 | 0 | 111.6 | L58 W82 S84 M88 L89 C90 Y158 W390 F393 Y467 | L58-H86 HydrophobicContact CD1-CB 4.11Å; L58-H86 HydrophobicContact CD2-CB 4.2Å; W82-H86 VanDerWaalsContact O-CB 3.32Å; W82-H86 WeakPolarHBondContact O-CB 3.27Å; W82-H86 PolarHBondContact O-N 2.86Å; S84-H86 VanDerWaalsContact C-N 3.29Å; S84-H86 PolarHBondContact O-N 2.87Å; H86-M88 VanDerWaalsContact C-N 3.31Å; H86-M88 PolarHBondContact O-N 3.08Å; H86-L89 PolarHBondContact O-N 3.39Å; H86-C90 WeakPolarHBondContact O-CB 3.2Å; H86-C90 PolarHBondContact O-N 3.05Å; H86-C90 PolarHBondContact O-SG 3.49Å; H86-Y158 PolarHBondContact ND1-OH 2.96Å; H86-W390 AromaticContact CE1-CZ3 3.73Å; H86-W390 AromaticContact NE2-CH2 3.55Å; H86-W390 AromaticContact NE2-CZ3 3.67Å; H86-F393 AromaticContact CE1-CE1 3.67Å; H86-F393 AromaticContact CE1-CZ 3.79Å; H86-Y467 AromaticContact CD2-CE1 3.69Å; H86-Y467 AromaticContact CD2-CZ 3.93Å; H86-Y467 PolarHBondContact CD2-OH 3.1Å; H86-Y467 AromaticContact NE2-CE1 3.7Å |
| 87 | V | 95.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111 | T83 S84 T91 I137 C138 Y158 | T83-V87 WeakPolarHBondContact O-CG2 3.39Å; T83-V87 PolarHBondContact O-N 3.4Å; T83-V87 VanDerWaalsContact O-N 3.16Å; S84-V87 PolarHBondContact O-N 3.25Å; V87-T91 VanDerWaalsContact O-CB 3.28Å; V87-T91 WeakPolarHBondContact O-CB 3.38Å; V87-T91 PolarHBondContact O-N 2.98Å; V87-T91 PolarHBondContact O-OG1 3.49Å; V87-I137 HydrophobicContact CG1-CG2 4.18Å; V87-C138 HydrophobicContact CB-CB 4.2Å; V87-C138 HydrophobicContact CG1-CB 4.11Å; V87-Y158 HydrophobicContact CG2-CE1 4.49Å |
| 88 | M | 97.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 14.3 Ų | 14.3 | 19% | 0.187 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | -179.9 | -171.1 | -175.8 | 66.3 | 0 | 0 | 112.6 | S84 V85 H86 T91 A92 S134 F135 C138 | S84-M88 WeakPolarHBondContact O-CB 3.13Å; S84-M88 PolarHBondContact O-N 2.86Å; V85-M88 HydrophobicContact CG1-CE 4.36Å; V85-M88 PolarHBondContact O-N 3.26Å; H86-M88 VanDerWaalsContact C-N 3.31Å; H86-M88 PolarHBondContact O-N 3.08Å; M88-T91 PolarHBondContact O-N 3.36Å; M88-A92 WeakPolarHBondContact O-CB 3.28Å; M88-A92 PolarHBondContact O-N 3.34Å; M88-S134 WeakPolarHBondContact O-CB 3.44Å; M88-F135 HydrophobicContact SD-CB 4.45Å; M88-F135 HydrophobicContact SD-CD2 4.01Å; M88-C138 HydrophobicContact CB-CB 3.93Å |
| 89 | L | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -73.8 | -34.5 | -172.8 | -65.7 | 178.4 | 0 | 0 | 0 | 112.3 | L53 I54 L58 V85 H86 A92 S93 W131 | L53-L89 HydrophobicContact CB-CD1 3.66Å; L53-L89 HydrophobicContact CB-CD2 3.81Å; L53-L89 HydrophobicContact CB-CG 4.41Å; L53-L89 HydrophobicContact CD1-CD2 3.96Å; I54-L89 HydrophobicContact CD1-CB 4.23Å; I54-L89 HydrophobicContact CG1-CB 3.63Å; I54-L89 HydrophobicContact CG1-CD1 4.14Å; L58-L89 HydrophobicContact CD1-CB 4.41Å; L58-L89 HydrophobicContact CD1-CD1 3.97Å; L58-L89 HydrophobicContact CG-CD1 4.3Å; V85-L89 HydrophobicContact CG1-CD1 3.57Å; V85-L89 HydrophobicContact CG1-CG 3.96Å; V85-L89 WeakPolarHBondContact O-CB 3.27Å; V85-L89 WeakPolarHBondContact O-CG 3.09Å; V85-L89 PolarHBondContact O-N 3.37Å; H86-L89 PolarHBondContact O-N 3.39Å; L89-A92 PolarHBondContact O-N 3.01Å; L89-S93 PolarHBondContact O-N 3.48Å; L89-W131 HydrophobicContact CD2-CH2 4.19Å; L89-W131 HydrophobicContact CD2-CZ3 3.82Å |
| 90 | C | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 173 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | H86 A92 S93 I94 W390 Y394 | H86-C90 WeakPolarHBondContact O-CB 3.2Å; H86-C90 PolarHBondContact O-N 3.05Å; H86-C90 PolarHBondContact O-SG 3.49Å; C90-A92 VanDerWaalsContact C-N 3.33Å; C90-A92 PolarHBondContact O-N 3.36Å; C90-S93 PolarHBondContact O-N 2.93Å; C90-I94 PolarHBondContact O-N 2.66Å; C90-I94 VanDerWaalsContact O-N 3.11Å; C90-W390 WeakPolarHBondContact SG-CH2 3.44Å; C90-W390 VanDerWaalsContact SG-CZ2 3.59Å; C90-Y394 WeakPolarHBondContact CB-OH 3.2Å |
| 91 | T | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 173 | -53.6 | 0 | 0 | 0 | 0 | 111 | V87 M88 S93 I94 L95 I137 S172 | V87-T91 VanDerWaalsContact O-CB 3.28Å; V87-T91 WeakPolarHBondContact O-CB 3.38Å; V87-T91 PolarHBondContact O-N 2.98Å; V87-T91 PolarHBondContact O-OG1 3.49Å; M88-T91 PolarHBondContact O-N 3.36Å; T91-S93 PolarHBondContact O-N 3.33Å; T91-I94 WeakPolarHBondContact O-CG2 3.24Å; T91-I94 PolarHBondContact O-N 3.26Å; T91-L95 HydrophobicContact CG2-CD1 3.72Å; T91-L95 HydrophobicContact CG2-CG 4.18Å; T91-L95 WeakPolarHBondContact O-CB 3.44Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.44Å; T91-L95 PolarHBondContact O-N 2.74Å; T91-I137 HydrophobicContact CG2-CD1 3.81Å; T91-S172 WeakPolarHBondContact OG1-CA 3.45Å; T91-S172 WeakPolarHBondContact OG1-CB 3.23Å |
| 92 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A50 M88 L89 C90 L95 N96 W131 S134 | A50-A92 HydrophobicContact CB-CB 4.17Å; M88-A92 WeakPolarHBondContact O-CB 3.28Å; M88-A92 PolarHBondContact O-N 3.34Å; L89-A92 PolarHBondContact O-N 3.01Å; C90-A92 VanDerWaalsContact C-N 3.33Å; C90-A92 PolarHBondContact O-N 3.36Å; A92-L95 PolarHBondContact O-N 3.1Å; A92-N96 WeakPolarHBondContact O-CB 3.2Å; A92-N96 PolarHBondContact O-N 2.95Å; A92-N96 PolarHBondContact O-ND2 3.46Å; A92-W131 HydrophobicContact CB-CD2 4.43Å; A92-W131 HydrophobicContact CB-CE3 4.05Å; A92-W131 HydrophobicContact CB-CH2 4.17Å; A92-W131 HydrophobicContact CB-CZ3 3.92Å; A92-S134 VanDerWaalsContact CA-OG 3.24Å; A92-S134 WeakPolarHBondContact CA-OG 3.07Å; A92-S134 PolarHBondContact N-OG 3.49Å |
| 93 | S | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 179.3 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | L47 D51 L89 C90 T91 L95 N96 L97 | L47-S93 WeakPolarHBondContact CD1-O 3.03Å; L47-S93 WeakPolarHBondContact CD1-OG 3.34Å; D51-S93 PolarHBondContact OD1-OG 3.25Å; L89-S93 PolarHBondContact O-N 3.48Å; C90-S93 PolarHBondContact O-N 2.93Å; T91-S93 PolarHBondContact O-N 3.33Å; S93-L95 PolarHBondContact O-N 2.97Å; S93-N96 PolarHBondContact O-N 3.47Å; S93-L97 PolarHBondContact O-N 3.16Å; S93-L97 VanDerWaalsContact O-N 3.09Å |
| 94 | I | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | 178 | -168 | 163 | 0 | 0 | 0 | 113.6 | C90 T91 L97 C98 S172 F173 P176 L177 M180 F386 | C90-I94 PolarHBondContact O-N 2.66Å; C90-I94 VanDerWaalsContact O-N 3.11Å; T91-I94 WeakPolarHBondContact O-CG2 3.24Å; T91-I94 PolarHBondContact O-N 3.26Å; I94-L97 WeakPolarHBondContact O-CB 3.44Å; I94-L97 PolarHBondContact O-N 3.4Å; I94-C98 PolarHBondContact O-N 3.49Å; I94-C98 PolarHBondContact O-SG 3.17Å; I94-S172 VanDerWaalsContact CG2-O 3.29Å; I94-S172 WeakPolarHBondContact CG2-O 3.33Å; I94-F173 HydrophobicContact CD1-CD2 4.11Å; I94-F173 HydrophobicContact CD1-CE2 4.42Å; I94-P176 HydrophobicContact CB-CB 4.36Å; I94-P176 HydrophobicContact CD1-CB 3.8Å; I94-P176 HydrophobicContact CG1-CB 3.77Å; I94-P176 HydrophobicContact CG2-CB 3.7Å; I94-P176 HydrophobicContact CG2-CG 4.13Å; I94-L177 HydrophobicContact CD1-CB 4.13Å; I94-M180 HydrophobicContact CD1-CE 4.19Å; I94-M180 HydrophobicContact CG1-CE 4.39Å; I94-M180 HydrophobicContact CG1-SD 4.38Å; I94-F386 HydrophobicContact CB-CE1 3.73Å; I94-F386 HydrophobicContact CB-CE2 4.37Å; I94-F386 HydrophobicContact CB-CZ 3.63Å; I94-F386 HydrophobicContact CD1-CD1 4.22Å; I94-F386 HydrophobicContact CD1-CE1 3.7Å; I94-F386 HydrophobicContact CD1-CZ 4.47Å; I94-F386 HydrophobicContact CG1-CD1 4.43Å; I94-F386 HydrophobicContact CG1-CE1 3.95Å; I94-F386 HydrophobicContact CG1-CZ 4.35Å |
| 95 | L | 97.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 16.2 Ų | 16.2 | 13% | 0.131 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.5 | -35.3 | 176.8 | -70.5 | 178.6 | 0 | 0 | 0 | 111.8 | T91 A92 S93 L97 C98 V99 T130 I133 P176 | T91-L95 HydrophobicContact CG2-CD1 3.72Å; T91-L95 HydrophobicContact CG2-CG 4.18Å; T91-L95 WeakPolarHBondContact O-CB 3.44Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.44Å; T91-L95 PolarHBondContact O-N 2.74Å; A92-L95 PolarHBondContact O-N 3.1Å; S93-L95 PolarHBondContact O-N 2.97Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.17Å; L95-C98 WeakPolarHBondContact O-CB 3.21Å; L95-C98 PolarHBondContact O-N 2.77Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 3.09Å; L95-T130 HydrophobicContact CB-CG2 3.51Å; L95-I133 HydrophobicContact CD1-CB 4.13Å; L95-I133 HydrophobicContact CD1-CG2 3.68Å; L95-P176 HydrophobicContact CD2-CB 4.11Å; L95-P176 HydrophobicContact CD2-CG 3.96Å |
| 96 | N | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 169.7 | -84.3 | -84.4 | 0 | 0 | 0 | 111 | S46 L47 A92 S93 V99 I100 L127 | S46-N96 WeakPolarHBondContact CB-OD1 3.39Å; S46-N96 PolarHBondContact OG-OD1 3.15Å; L47-N96 HydrophobicContact CB-CB 4.08Å; L47-N96 HydrophobicContact CD1-CB 4.06Å; A92-N96 WeakPolarHBondContact O-CB 3.2Å; A92-N96 PolarHBondContact O-N 2.95Å; A92-N96 PolarHBondContact O-ND2 3.46Å; S93-N96 PolarHBondContact O-N 3.47Å; N96-V99 PolarHBondContact O-N 3.01Å; N96-I100 WeakPolarHBondContact O-CD1 3.42Å; N96-I100 VanDerWaalsContact O-CG1 3.25Å; N96-I100 WeakPolarHBondContact O-CG1 3.45Å; N96-I100 PolarHBondContact O-N 3.36Å; N96-L127 VanDerWaalsContact OD1-CD2 3.28Å; N96-L127 WeakPolarHBondContact OD1-CD2 3.38Å |
| 97 | L | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64 | -36.7 | 173.1 | -69.1 | 175.5 | 0 | 0 | 0 | 113.4 | L47 S93 I94 L95 I100 G101 M180 Y184 V382 F386 | L47-L97 HydrophobicContact CD1-CD2 4.28Å; L47-L97 HydrophobicContact CD1-CG 4.09Å; L47-L97 HydrophobicContact CD2-CD2 3.62Å; L47-L97 HydrophobicContact CD2-CG 4.35Å; S93-L97 PolarHBondContact O-N 3.16Å; S93-L97 VanDerWaalsContact O-N 3.09Å; I94-L97 WeakPolarHBondContact O-CB 3.44Å; I94-L97 PolarHBondContact O-N 3.4Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.17Å; L97-I100 HydrophobicContact CD2-CD1 4.48Å; L97-G101 PolarHBondContact O-N 2.82Å; L97-M180 HydrophobicContact CB-SD 3.77Å; L97-M180 HydrophobicContact CD1-SD 4.2Å; L97-Y184 PolarHBondContact O-OH 3.3Å; L97-V382 HydrophobicContact CD2-CG1 3.48Å; L97-V382 VanDerWaalsContact CD2-CG1 3.48Å; L97-F386 HydrophobicContact CD1-CB 3.68Å; L97-F386 HydrophobicContact CD1-CD1 4.34Å; L97-F386 HydrophobicContact CD1-CD2 3.47Å; L97-F386 VanDerWaalsContact CD1-CD2 3.47Å; L97-F386 HydrophobicContact CD1-CE2 4.24Å; L97-F386 HydrophobicContact CD1-CG 3.54Å |
| 98 | C | 96.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.034 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 172.5 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | I94 L95 G101 F102 P176 | I94-C98 PolarHBondContact O-N 3.49Å; I94-C98 PolarHBondContact O-SG 3.17Å; L95-C98 WeakPolarHBondContact O-CB 3.21Å; L95-C98 PolarHBondContact O-N 2.77Å; C98-G101 WeakPolarHBondContact O-CA 3.48Å; C98-G101 PolarHBondContact O-N 3.32Å; C98-G101 VanDerWaalsContact O-N 3.12Å; C98-F102 WeakPolarHBondContact O-CD2 3.47Å; C98-F102 PolarHBondContact O-N 3.46Å; C98-P176 PolarHBondContact SG-O 2.98Å; C98-P176 VanDerWaalsContact SG-O 3.34Å |
| 99 | V | 96 | Very high | 94.2 | Very high | 25 Ų | 25 | 20.8 Ų | 20.8 | 15% | 0.152 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L43 L95 N96 G101 F102 D103 I126 | L43-V99 HydrophobicContact CD1-CG1 4.14Å; L43-V99 HydrophobicContact CD2-CG1 3.68Å; L43-V99 HydrophobicContact CG-CG1 4.5Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 3.09Å; N96-V99 PolarHBondContact O-N 3.01Å; V99-G101 VanDerWaalsContact C-N 3.29Å; V99-G101 PolarHBondContact O-N 3.39Å; V99-F102 PolarHBondContact O-N 2.89Å; V99-D103 WeakPolarHBondContact O-CB 3.11Å; V99-D103 PolarHBondContact O-N 3.44Å; V99-I126 HydrophobicContact CB-CG2 4.33Å; V99-I126 HydrophobicContact CG1-CG2 3.6Å; V99-I126 HydrophobicContact CG2-CG2 3.68Å |
| 100 | I | 94.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 172.6 | -69.3 | 160.2 | 0 | 0 | 0 | 110.3 | L43 L44 L47 N96 L97 D103 R104 I379 | L43-I100 HydrophobicContact CB-CD1 4.5Å; L43-I100 HydrophobicContact CB-CG1 3.75Å; L43-I100 HydrophobicContact CD1-CG1 4.42Å; L44-I100 HydrophobicContact CD2-CD1 4Å; L47-I100 HydrophobicContact CB-CD1 4.29Å; L47-I100 HydrophobicContact CD2-CD1 4Å; N96-I100 WeakPolarHBondContact O-CD1 3.42Å; N96-I100 VanDerWaalsContact O-CG1 3.25Å; N96-I100 WeakPolarHBondContact O-CG1 3.45Å; N96-I100 PolarHBondContact O-N 3.36Å; L97-I100 HydrophobicContact CD2-CD1 4.48Å; I100-D103 PolarHBondContact O-N 3.14Å; I100-R104 HydrophobicContact CG2-CG 4.45Å; I100-R104 VanDerWaalsContact O-CG 3.28Å; I100-R104 WeakPolarHBondContact O-CG 3.48Å; I100-R104 PolarHBondContact O-N 3.14Å; I100-I379 HydrophobicContact CG2-CD1 4.05Å; I100-I379 HydrophobicContact CG2-CG2 4.15Å |
| 101 | G | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -53.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L97 C98 V99 D103 R104 Y105 V183 Y184 I187 | L97-G101 PolarHBondContact O-N 2.82Å; C98-G101 WeakPolarHBondContact O-CA 3.48Å; C98-G101 PolarHBondContact O-N 3.32Å; C98-G101 VanDerWaalsContact O-N 3.12Å; V99-G101 VanDerWaalsContact C-N 3.29Å; V99-G101 PolarHBondContact O-N 3.39Å; G101-D103 PolarHBondContact O-N 3.31Å; G101-R104 PolarHBondContact O-N 2.86Å; G101-Y105 WeakPolarHBondContact O-CB 3.21Å; G101-Y105 PolarHBondContact O-N 2.95Å; G101-V183 VanDerWaalsContact C-CG1 3.42Å; G101-V183 WeakPolarHBondContact O-CG1 3.45Å; G101-Y184 VanDerWaalsContact CA-OH 3.27Å; G101-Y184 WeakPolarHBondContact CA-OH 3.39Å; G101-Y184 PolarHBondContact N-OH 3.1Å; G101-I187 WeakPolarHBondContact O-CD1 3.09Å |
| 102 | F | 93.2 | Very high | 92.8 | Very high | 68 Ų | 68 | 33.4 Ų | 33.4 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 179 | -83.1 | -68.9 | 0 | 0 | 0 | 112.7 | C98 V99 R104 Y105 F106 L179 V183 | C98-F102 WeakPolarHBondContact O-CD2 3.47Å; C98-F102 PolarHBondContact O-N 3.46Å; V99-F102 PolarHBondContact O-N 2.89Å; F102-R104 PolarHBondContact O-N 3.48Å; F102-Y105 WeakPolarHBondContact O-CB 3.42Å; F102-Y105 PolarHBondContact O-N 3.48Å; F102-Y105 VanDerWaalsContact O-N 3.14Å; F102-F106 HydrophobicContact CB-CD2 4.46Å; F102-F106 HydrophobicContact CB-CE2 4.3Å; F102-F106 HydrophobicContact CD1-CE2 4.02Å; F102-F106 WeakPolarHBondContact O-CD2 3.35Å; F102-F106 PolarHBondContact O-N 2.91Å; F102-L179 HydrophobicContact CE2-CD1 3.95Å; F102-L179 HydrophobicContact CE2-CD2 4.08Å; F102-L179 HydrophobicContact CE2-CG 3.92Å; F102-L179 HydrophobicContact CZ-CD1 3.77Å; F102-L179 HydrophobicContact CZ-CG 4.25Å; F102-V183 HydrophobicContact CD1-CG2 3.94Å; F102-V183 HydrophobicContact CD2-CG2 4.19Å; F102-V183 HydrophobicContact CE1-CG2 3.52Å; F102-V183 HydrophobicContact CE2-CG2 3.79Å; F102-V183 HydrophobicContact CG-CG2 4.25Å; F102-V183 HydrophobicContact CZ-CG2 3.43Å; F102-V183 VanDerWaalsContact CZ-CG2 3.43Å |
| 103 | D | 92.7 | Very high | 92.3 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54 | -49.3 | 174.8 | 165.1 | 77.8 | 0 | 0 | 0 | 111.7 | L43 V99 I100 G101 A107 Y114 Q118 | L43-D103 HydrophobicContact CD1-CB 3.54Å; L43-D103 VanDerWaalsContact CD1-CG 3.45Å; V99-D103 WeakPolarHBondContact O-CB 3.11Å; V99-D103 PolarHBondContact O-N 3.44Å; I100-D103 PolarHBondContact O-N 3.14Å; G101-D103 PolarHBondContact O-N 3.31Å; D103-A107 VanDerWaalsContact O-CB 3.31Å; D103-A107 WeakPolarHBondContact O-CB 3.4Å; D103-A107 PolarHBondContact O-N 3.03Å; D103-Y114 WeakPolarHBondContact O-CE2 3.37Å; D103-Y114 PolarHBondContact OD1-OH 2.92Å; D103-Q118 PolarHBondContact OD1-NE2 2.81Å |
| 104 | R | 91.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -41 | 174.7 | -66 | -57 | 87.9 | -157.8 | -1.9 | 112.2 | I100 G101 F102 A107 I108 Y114 I187 I379 | I100-R104 HydrophobicContact CG2-CG 4.45Å; I100-R104 VanDerWaalsContact O-CG 3.28Å; I100-R104 WeakPolarHBondContact O-CG 3.48Å; I100-R104 PolarHBondContact O-N 3.14Å; G101-R104 PolarHBondContact O-N 2.86Å; F102-R104 PolarHBondContact O-N 3.48Å; R104-A107 PolarHBondContact O-N 2.68Å; R104-I108 WeakPolarHBondContact O-CB 3.47Å; R104-I108 WeakPolarHBondContact O-CD1 3.31Å; R104-I108 WeakPolarHBondContact O-CG1 3.47Å; R104-I108 PolarHBondContact O-N 3Å; R104-Y114 PolarHBondContact NH2-OH 3.31Å; R104-I187 HydrophobicContact CB-CD1 4.18Å; R104-I379 HydrophobicContact CG-CD1 3.57Å |
| 105 | Y | 90.9 | Very high | 91.3 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 25% | 0.247 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 179.1 | 177.3 | -107.3 | 0 | 0 | 0 | 112.2 | G101 F102 I108 T109 K186 I187 | G101-Y105 WeakPolarHBondContact O-CB 3.21Å; G101-Y105 PolarHBondContact O-N 2.95Å; F102-Y105 WeakPolarHBondContact O-CB 3.42Å; F102-Y105 PolarHBondContact O-N 3.48Å; F102-Y105 VanDerWaalsContact O-N 3.14Å; Y105-I108 PolarHBondContact O-N 3.42Å; Y105-T109 HydrophobicContact CD2-CG2 3.89Å; Y105-T109 HydrophobicContact CE1-CG2 4.3Å; Y105-T109 HydrophobicContact CE2-CG2 3.45Å; Y105-T109 VanDerWaalsContact CE2-CG2 3.45Å; Y105-T109 HydrophobicContact CG-CG2 4.47Å; Y105-T109 WeakPolarHBondContact O-CB 3.48Å; Y105-T109 WeakPolarHBondContact O-CG2 3.2Å; Y105-T109 PolarHBondContact O-N 3.28Å; Y105-T109 PolarHBondContact O-OG1 3.12Å; Y105-K186 HydrophobicContact CD2-CB 4.05Å; Y105-K186 HydrophobicContact CE2-CB 3.63Å; Y105-I187 HydrophobicContact CD2-CG1 3.95Å; Y105-I187 HydrophobicContact CG-CG1 4.42Å |
| 106 | F | 91.7 | Very high | 90.8 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 177.1 | -69.8 | -60.7 | 0 | 0 | 0 | 112.5 | F102 I108 S110 Y114 | F102-F106 HydrophobicContact CB-CD2 4.46Å; F102-F106 HydrophobicContact CB-CE2 4.3Å; F102-F106 HydrophobicContact CD1-CE2 4.02Å; F102-F106 WeakPolarHBondContact O-CD2 3.35Å; F102-F106 PolarHBondContact O-N 2.91Å; F106-I108 VanDerWaalsContact C-N 3.28Å; F106-I108 PolarHBondContact O-N 3.35Å; F106-S110 CarbonylContact O-C 3.57Å; F106-S110 PolarHBondContact O-N 3.46Å; F106-Y114 HydrophobicContact CB-CD2 3.94Å |
| 107 | A | 89.8 | Confident | 90.1 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | D103 R104 Y114 | D103-A107 VanDerWaalsContact O-CB 3.31Å; D103-A107 WeakPolarHBondContact O-CB 3.4Å; D103-A107 PolarHBondContact O-N 3.03Å; R104-A107 PolarHBondContact O-N 2.68Å; A107-Y114 VanDerWaalsContact CA-CG 3.5Å; A107-Y114 HydrophobicContact CB-CD1 3.94Å; A107-Y114 HydrophobicContact CB-CD2 3.91Å; A107-Y114 HydrophobicContact CB-CE1 3.77Å; A107-Y114 HydrophobicContact CB-CE2 3.7Å; A107-Y114 HydrophobicContact CB-CG 4.01Å |
| 108 | I | 86.6 | Confident | 89.6 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.9 | -54.6 | -179.5 | -66.4 | 163.2 | 0 | 0 | 0 | 110.5 | R104 Y105 F106 S110 I187 V190 R194 I376 | R104-I108 WeakPolarHBondContact O-CB 3.47Å; R104-I108 WeakPolarHBondContact O-CD1 3.31Å; R104-I108 WeakPolarHBondContact O-CG1 3.47Å; R104-I108 PolarHBondContact O-N 3Å; Y105-I108 PolarHBondContact O-N 3.42Å; F106-I108 VanDerWaalsContact C-N 3.28Å; F106-I108 PolarHBondContact O-N 3.35Å; I108-S110 PolarHBondContact O-N 3.06Å; I108-I187 HydrophobicContact CD1-CG2 3.96Å; I108-V190 HydrophobicContact CG2-CB 4.43Å; I108-V190 HydrophobicContact CG2-CG1 3.72Å; I108-R194 PolarHBondContact O-NH1 3.24Å; I108-R194 PolarHBondContact O-NH2 3.1Å; I108-I376 HydrophobicContact CD1-CD1 3.53Å; I108-I376 HydrophobicContact CD1-CG1 3.93Å; I108-I376 HydrophobicContact CG1-CD1 4.33Å |
| 109 | T | 88.5 | Confident | 89.3 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | -172.4 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | Y105 V190 | Y105-T109 HydrophobicContact CD2-CG2 3.89Å; Y105-T109 HydrophobicContact CE1-CG2 4.3Å; Y105-T109 HydrophobicContact CE2-CG2 3.45Å; Y105-T109 VanDerWaalsContact CE2-CG2 3.45Å; Y105-T109 HydrophobicContact CG-CG2 4.47Å; Y105-T109 WeakPolarHBondContact O-CB 3.48Å; Y105-T109 WeakPolarHBondContact O-CG2 3.2Å; Y105-T109 PolarHBondContact O-N 3.28Å; Y105-T109 PolarHBondContact O-OG1 3.12Å; T109-V190 HydrophobicContact CG2-CG2 4.12Å |
| 110 | S | 86.4 | Confident | 89 | Confident | 47 Ų | 47 | 73 Ų | 73 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | trans | -136.9 | 56.7 | -165.6 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | F106 I108 L112 R113 Y114 | F106-S110 CarbonylContact O-C 3.57Å; F106-S110 PolarHBondContact O-N 3.46Å; I108-S110 PolarHBondContact O-N 3.06Å; S110-L112 VanDerWaalsContact C-N 3.33Å; S110-L112 PolarHBondContact O-N 3.28Å; S110-L112 VanDerWaalsContact O-N 3.16Å; S110-R113 PolarHBondContact O-N 3Å; S110-R113 VanDerWaalsContact O-N 3.07Å; S110-Y114 WeakPolarHBondContact O-CB 3.12Å; S110-Y114 PolarHBondContact O-N 3.33Å | ||
| 111 | P | 86.7 | Confident | 88.9 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.8 | -37.8 | -165.1 | 21.7 | -34.2 | 0 | 0 | 0 | 114.3 | K115 | P111-K115 WeakPolarHBondContact O-CB 3.41Å; P111-K115 PolarHBondContact O-N 3.06Å |
| 112 | L | 87.5 | Confident | 88.9 | Confident | 151 Ų | 151 | 85.8 Ų | 85.8 | 79% | 0.791 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.9 | -45 | 177.3 | -61.6 | 178.7 | 0 | 0 | 0 | 112.1 | S110 K115 R116 | S110-L112 VanDerWaalsContact C-N 3.33Å; S110-L112 PolarHBondContact O-N 3.28Å; S110-L112 VanDerWaalsContact O-N 3.16Å; L112-K115 PolarHBondContact O-N 3.41Å; L112-R116 PolarHBondContact O-N 2.9Å |
| 113 | R | 87.7 | Confident | 88.9 | Confident | 160 Ų | 160 | 82.7 Ų | 82.7 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.1 | -43.1 | 177.4 | -179.1 | 175 | 175.9 | 174.8 | 0.2 | 111 | S110 R116 M117 | S110-R113 PolarHBondContact O-N 3Å; S110-R113 VanDerWaalsContact O-N 3.07Å; R113-R116 PolarHBondContact O-N 3.3Å; R113-M117 HydrophobicContact CG-CG 4.33Å; R113-M117 HydrophobicContact CG-SD 3.54Å; R113-M117 VanDerWaalsContact CG-SD 3.54Å; R113-M117 PolarHBondContact NE-SD 2.87Å; R113-M117 WeakPolarHBondContact O-CB 3.41Å; R113-M117 WeakPolarHBondContact O-CG 3.45Å; R113-M117 PolarHBondContact O-N 3.33Å |
| 114 | Y | 88.8 | Confident | 89 | Confident | 38 Ų | 38 | 85.4 Ų | 85.4 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 174.1 | 173.5 | -90.3 | 0 | 0 | 0 | 111.1 | D103 R104 F106 A107 S110 R116 M117 Q118 | D103-Y114 WeakPolarHBondContact O-CE2 3.37Å; D103-Y114 PolarHBondContact OD1-OH 2.92Å; R104-Y114 PolarHBondContact NH2-OH 3.31Å; F106-Y114 HydrophobicContact CB-CD2 3.94Å; A107-Y114 VanDerWaalsContact CA-CG 3.5Å; A107-Y114 HydrophobicContact CB-CD1 3.94Å; A107-Y114 HydrophobicContact CB-CD2 3.91Å; A107-Y114 HydrophobicContact CB-CE1 3.77Å; A107-Y114 HydrophobicContact CB-CE2 3.7Å; A107-Y114 HydrophobicContact CB-CG 4.01Å; S110-Y114 WeakPolarHBondContact O-CB 3.12Å; S110-Y114 PolarHBondContact O-N 3.33Å; Y114-R116 PolarHBondContact O-N 3.41Å; Y114-R116 VanDerWaalsContact O-N 3.14Å; Y114-M117 PolarHBondContact O-N 3.07Å; Y114-M117 VanDerWaalsContact O-N 3.09Å; Y114-Q118 HydrophobicContact CD1-CB 4.26Å; Y114-Q118 HydrophobicContact CD2-CB 4.28Å; Y114-Q118 HydrophobicContact CE1-CB 4.05Å; Y114-Q118 HydrophobicContact CE1-CG 3.95Å; Y114-Q118 HydrophobicContact CE2-CB 4.11Å; Y114-Q118 HydrophobicContact CE2-CG 3.88Å; Y114-Q118 HydrophobicContact CG-CB 4.37Å; Y114-Q118 VanDerWaalsContact CZ-CD 3.43Å; Y114-Q118 WeakPolarHBondContact O-CB 3.41Å; Y114-Q118 PolarHBondContact O-N 3.44Å; Y114-Q118 PolarHBondContact OH-NE2 2.93Å |
| 115 | K | 84.5 | Confident | 89.3 | Confident | 177 Ų | 177 | 87 Ų | 87 | 77% | 0.77 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58 | -31 | 177.9 | -172.5 | 178.9 | 177.6 | -173 | 0 | 113.1 | P111 L112 | P111-K115 WeakPolarHBondContact O-CB 3.41Å; P111-K115 PolarHBondContact O-N 3.06Å; L112-K115 PolarHBondContact O-N 3.41Å |
| 116 | R | 86.5 | Confident | 89.5 | Confident | 206 Ų | 206 | 87.1 Ų | 87.1 | 78% | 0.777 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -79.3 | -35.1 | 175.8 | -169.8 | 174.2 | 70.5 | -175.5 | 3.8 | 113.5 | L112 R113 Y114 | L112-R116 PolarHBondContact O-N 2.9Å; R113-R116 PolarHBondContact O-N 3.3Å; Y114-R116 PolarHBondContact O-N 3.41Å; Y114-R116 VanDerWaalsContact O-N 3.14Å |
| 117 | M | 83.3 | Confident | 89.7 | Confident | 93 Ų | 93 | 83 Ų | 83 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -91 | -29.6 | -175.4 | -67.9 | 178.8 | 63.9 | 0 | 0 | 113.8 | R113 Y114 T119 L122 | R113-M117 HydrophobicContact CG-CG 4.33Å; R113-M117 HydrophobicContact CG-SD 3.54Å; R113-M117 VanDerWaalsContact CG-SD 3.54Å; R113-M117 PolarHBondContact NE-SD 2.87Å; R113-M117 WeakPolarHBondContact O-CB 3.41Å; R113-M117 WeakPolarHBondContact O-CG 3.45Å; R113-M117 PolarHBondContact O-N 3.33Å; Y114-M117 PolarHBondContact O-N 3.07Å; Y114-M117 VanDerWaalsContact O-N 3.09Å; M117-T119 PolarHBondContact O-N 3.29Å; M117-L122 WeakPolarHBondContact O-CD2 3.49Å |
| 118 | Q | 85 | Confident | 90.1 | Very high | 44 Ų | 44 | 87.4 Ų | 87.4 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | trans | -75 | 87.8 | -172.5 | -171.2 | 79.3 | 0.8 | 0 | 0 | 111.8 | T39 D103 Y114 | T39-Q118 HydrophobicContact CG2-CG 4.11Å; T39-Q118 WeakPolarHBondContact OG1-CG 3.43Å; T39-Q118 PolarHBondContact OG1-NE2 2.89Å; D103-Q118 PolarHBondContact OD1-NE2 2.81Å; Y114-Q118 HydrophobicContact CD1-CB 4.26Å; Y114-Q118 HydrophobicContact CD2-CB 4.28Å; Y114-Q118 HydrophobicContact CE1-CB 4.05Å; Y114-Q118 HydrophobicContact CE1-CG 3.95Å; Y114-Q118 HydrophobicContact CE2-CB 4.11Å; Y114-Q118 HydrophobicContact CE2-CG 3.88Å; Y114-Q118 HydrophobicContact CG-CB 4.37Å; Y114-Q118 VanDerWaalsContact CZ-CD 3.43Å; Y114-Q118 WeakPolarHBondContact O-CB 3.41Å; Y114-Q118 PolarHBondContact O-N 3.44Å; Y114-Q118 PolarHBondContact OH-NE2 2.93Å | ||
| 119 | T | 90.9 | Very high | 90.6 | Very high | 67 Ų | 67 | 92.8 Ų | 92.8 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | trans | -103.7 | 152.8 | 173.5 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | M117 R121 L122 S123 | M117-T119 PolarHBondContact O-N 3.29Å; T119-R121 PolarHBondContact O-N 2.88Å; T119-L122 PolarHBondContact O-N 3.48Å; T119-L122 WeakPolarHBondContact OG1-CB 3.48Å; T119-L122 PolarHBondContact OG1-N 3.4Å; T119-L122 VanDerWaalsContact OG1-N 3.11Å; T119-S123 PolarHBondContact O-N 3.06Å; T119-S123 PolarHBondContact O-OG 3.36Å | ||
| 120 | K | 90 | Very high | 91 | Very high | 103 Ų | 103 | 91 Ų | 91 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.2 | -38.2 | 172.6 | -66.9 | -174.6 | 176.9 | -169 | 0 | 112.3 | Q37 T39 L42 S123 C124 | Q37-K120 WeakPolarHBondContact O-CE 3.31Å; Q37-K120 PolarHBondContact O-NZ 3.03Å; T39-K120 HydrophobicContact CG2-CG 3.99Å; L42-K120 HydrophobicContact CD1-CB 4.4Å; L42-K120 HydrophobicContact CD1-CD 4.5Å; L42-K120 HydrophobicContact CD1-CG 4.24Å; K120-S123 PolarHBondContact O-N 3.01Å; K120-C124 PolarHBondContact O-N 2.99Å; K120-C124 PolarHBondContact O-SG 3.47Å |
| 121 | R | 92.6 | Very high | 91.6 | Very high | 210 Ų | 210 | 91.7 Ų | 91.7 | 79% | 0.792 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.6 | -48.5 | 176.7 | -67.6 | -177.8 | 179.6 | 169 | -1.2 | 111 | T119 S123 C124 I125 | T119-R121 PolarHBondContact O-N 2.88Å; R121-S123 PolarHBondContact O-N 3.29Å; R121-C124 PolarHBondContact O-N 3.24Å; R121-I125 WeakPolarHBondContact O-CG1 3.25Å; R121-I125 PolarHBondContact O-N 3.44Å |
| 122 | L | 92.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 92.2 Ų | 92.2 | 34% | 0.335 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.5 | -179.4 | 61.1 | 0 | 0 | 0 | 111.9 | M117 T119 C124 I125 I126 | M117-L122 WeakPolarHBondContact O-CD2 3.49Å; T119-L122 PolarHBondContact O-N 3.48Å; T119-L122 WeakPolarHBondContact OG1-CB 3.48Å; T119-L122 PolarHBondContact OG1-N 3.4Å; T119-L122 VanDerWaalsContact OG1-N 3.11Å; L122-C124 PolarHBondContact O-N 2.92Å; L122-I125 PolarHBondContact O-N 3.08Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.18Å; L122-I126 HydrophobicContact CG-CD1 3.85Å; L122-I126 HydrophobicContact CG-CG1 4.46Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.73Å |
| 123 | S | 93.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 89 Ų | 89 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.5 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | T39 T119 K120 R121 I125 I126 L127 | T39-S123 WeakPolarHBondContact CB-OG 3.27Å; T39-S123 WeakPolarHBondContact CG2-OG 3.04Å; T119-S123 PolarHBondContact O-N 3.06Å; T119-S123 PolarHBondContact O-OG 3.36Å; K120-S123 PolarHBondContact O-N 3.01Å; R121-S123 PolarHBondContact O-N 3.29Å; S123-I125 VanDerWaalsContact C-N 3.33Å; S123-I125 PolarHBondContact O-N 3.07Å; S123-I126 PolarHBondContact O-N 3.12Å; S123-L127 WeakPolarHBondContact O-CB 3.5Å; S123-L127 VanDerWaalsContact O-CG 3.25Å; S123-L127 WeakPolarHBondContact O-CG 3.41Å; S123-L127 PolarHBondContact O-N 3.29Å |
| 124 | C | 94.9 | Very high | 93 | Very high | 68 Ų | 68 | 81.3 Ų | 81.3 | 46% | 0.459 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | K120 R121 L122 L127 L128 | K120-C124 PolarHBondContact O-N 2.99Å; K120-C124 PolarHBondContact O-SG 3.47Å; R121-C124 PolarHBondContact O-N 3.24Å; L122-C124 PolarHBondContact O-N 2.92Å; C124-L127 PolarHBondContact O-N 2.95Å; C124-L128 WeakPolarHBondContact O-CB 3.44Å; C124-L128 PolarHBondContact O-N 3.33Å |
| 125 | I | 96.2 | Very high | 93.4 | Very high | 87 Ų | 87 | 85.3 Ų | 85.3 | 45% | 0.446 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -47 | 176.7 | -69.3 | 164.4 | 0 | 0 | 0 | 110.9 | R121 L122 S123 L127 L128 F129 | R121-I125 WeakPolarHBondContact O-CG1 3.25Å; R121-I125 PolarHBondContact O-N 3.44Å; L122-I125 PolarHBondContact O-N 3.08Å; S123-I125 VanDerWaalsContact C-N 3.33Å; S123-I125 PolarHBondContact O-N 3.07Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 2.85Å; I125-L128 PolarHBondContact O-N 2.93Å; I125-F129 HydrophobicContact CG2-CD2 3.75Å; I125-F129 HydrophobicContact CG2-CE2 3.54Å; I125-F129 VanDerWaalsContact O-CD2 3.24Å; I125-F129 WeakPolarHBondContact O-CD2 3.32Å; I125-F129 PolarHBondContact O-N 3.39Å |
| 126 | I | 96 | Very high | 93.9 | Very high | 66 Ų | 66 | 80.6 Ų | 80.6 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.4 | -66.4 | 167.2 | 0 | 0 | 0 | 111.1 | V99 L122 S123 F129 T130 | V99-I126 HydrophobicContact CB-CG2 4.33Å; V99-I126 HydrophobicContact CG1-CG2 3.6Å; V99-I126 HydrophobicContact CG2-CG2 3.68Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.18Å; L122-I126 HydrophobicContact CG-CD1 3.85Å; L122-I126 HydrophobicContact CG-CG1 4.46Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.73Å; S123-I126 PolarHBondContact O-N 3.12Å; I126-F129 PolarHBondContact O-N 3.12Å; I126-T130 PolarHBondContact O-N 3.48Å; I126-T130 PolarHBondContact O-OG1 3.29Å |
| 127 | L | 96.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.6 | -69.8 | 177.9 | 0 | 0 | 0 | 111.5 | L43 S46 N96 S123 C124 I125 F129 T130 W131 | L43-L127 HydrophobicContact CD2-CD1 4.09Å; L43-L127 HydrophobicContact CD2-CD2 3.63Å; L43-L127 HydrophobicContact CD2-CG 3.83Å; S46-L127 WeakPolarHBondContact OG-CD2 3.49Å; N96-L127 VanDerWaalsContact OD1-CD2 3.28Å; N96-L127 WeakPolarHBondContact OD1-CD2 3.38Å; S123-L127 WeakPolarHBondContact O-CB 3.5Å; S123-L127 VanDerWaalsContact O-CG 3.25Å; S123-L127 WeakPolarHBondContact O-CG 3.41Å; S123-L127 PolarHBondContact O-N 3.29Å; C124-L127 PolarHBondContact O-N 2.95Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 2.85Å; L127-F129 VanDerWaalsContact C-N 3.35Å; L127-F129 PolarHBondContact O-N 3.34Å; L127-T130 WeakPolarHBondContact O-CA 3.25Å; L127-T130 VanDerWaalsContact O-CB 3.24Å; L127-T130 WeakPolarHBondContact O-CB 3.24Å; L127-T130 PolarHBondContact O-N 3.05Å; L127-W131 PolarHBondContact O-N 2.97Å |
| 128 | L | 97.5 | Very high | 94.7 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.9 | -46.3 | 175.9 | -179.6 | 62.3 | 0 | 0 | 0 | 111.6 | C124 I125 T130 W131 I132 | C124-L128 WeakPolarHBondContact O-CB 3.44Å; C124-L128 PolarHBondContact O-N 3.33Å; I125-L128 PolarHBondContact O-N 2.93Å; L128-T130 VanDerWaalsContact C-N 3.29Å; L128-T130 PolarHBondContact O-N 3.22Å; L128-W131 PolarHBondContact O-N 3.47Å; L128-I132 HydrophobicContact CD1-CD1 4.17Å; L128-I132 HydrophobicContact CD1-CG1 4.46Å; L128-I132 HydrophobicContact CG-CD1 3.89Å; L128-I132 WeakPolarHBondContact O-CG1 2.96Å; L128-I132 PolarHBondContact O-N 3.48Å |
| 129 | F | 97.1 | Very high | 95.1 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -38.1 | 173.3 | -80 | -64.1 | 0 | 0 | 0 | 112.8 | I125 I126 L127 W131 I132 I133 | I125-F129 HydrophobicContact CG2-CD2 3.75Å; I125-F129 HydrophobicContact CG2-CE2 3.54Å; I125-F129 VanDerWaalsContact O-CD2 3.24Å; I125-F129 WeakPolarHBondContact O-CD2 3.32Å; I125-F129 PolarHBondContact O-N 3.39Å; I126-F129 PolarHBondContact O-N 3.12Å; L127-F129 VanDerWaalsContact C-N 3.35Å; L127-F129 PolarHBondContact O-N 3.34Å; F129-W131 PolarHBondContact O-N 3.34Å; F129-I132 PolarHBondContact O-N 3.4Å; F129-I133 WeakPolarHBondContact O-CB 3.29Å; F129-I133 VanDerWaalsContact O-CG1 3.25Å; F129-I133 WeakPolarHBondContact O-CG1 3.47Å; F129-I133 PolarHBondContact O-N 3.15Å |
| 130 | T | 97.2 | Very high | 95 | Very high | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 176.6 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | L95 I126 L127 L128 S134 | L95-T130 HydrophobicContact CB-CG2 3.51Å; I126-T130 PolarHBondContact O-N 3.48Å; I126-T130 PolarHBondContact O-OG1 3.29Å; L127-T130 WeakPolarHBondContact O-CA 3.25Å; L127-T130 VanDerWaalsContact O-CB 3.24Å; L127-T130 WeakPolarHBondContact O-CB 3.24Å; L127-T130 PolarHBondContact O-N 3.05Å; L128-T130 VanDerWaalsContact C-N 3.29Å; L128-T130 PolarHBondContact O-N 3.22Å; T130-S134 PolarHBondContact O-N 3.21Å; T130-S134 PolarHBondContact O-OG 3.32Å |
| 131 | W | 98.3 | Very high | 95 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68 | -40 | 176.1 | -74.4 | 99.3 | 0 | 0 | 0 | 112.3 | S46 T49 A50 L53 L89 A92 L127 L128 F129 S134 F135 | S46-W131 PolarHBondContact OG-NE1 3.11Å; S46-W131 VanDerWaalsContact OG-NE1 3.14Å; T49-W131 HydrophobicContact CG2-CH2 4.35Å; T49-W131 HydrophobicContact CG2-CZ2 4.14Å; A50-W131 HydrophobicContact CB-CH2 3.87Å; A50-W131 HydrophobicContact CB-CZ2 4.12Å; L53-W131 HydrophobicContact CD1-CH2 4.02Å; L53-W131 HydrophobicContact CD1-CZ3 4.32Å; L89-W131 HydrophobicContact CD2-CH2 4.19Å; L89-W131 HydrophobicContact CD2-CZ3 3.82Å; A92-W131 HydrophobicContact CB-CD2 4.43Å; A92-W131 HydrophobicContact CB-CE3 4.05Å; A92-W131 HydrophobicContact CB-CH2 4.17Å; A92-W131 HydrophobicContact CB-CZ3 3.92Å; L127-W131 PolarHBondContact O-N 2.97Å; L128-W131 PolarHBondContact O-N 3.47Å; F129-W131 PolarHBondContact O-N 3.34Å; W131-S134 WeakPolarHBondContact O-CB 3.28Å; W131-S134 PolarHBondContact O-N 2.92Å; W131-F135 PolarHBondContact O-N 3.19Å |
| 132 | I | 98 | Very high | 94.9 | Very high | 81 Ų | 81 | 57 Ų | 57 | 42% | 0.415 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 176 | -69.1 | 166.9 | 0 | 0 | 0 | 111.4 | L128 F129 S134 F135 V136 | L128-I132 HydrophobicContact CD1-CD1 4.17Å; L128-I132 HydrophobicContact CD1-CG1 4.46Å; L128-I132 HydrophobicContact CG-CD1 3.89Å; L128-I132 WeakPolarHBondContact O-CG1 2.96Å; L128-I132 PolarHBondContact O-N 3.48Å; F129-I132 PolarHBondContact O-N 3.4Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 3.19Å; I132-F135 PolarHBondContact O-N 3.45Å; I132-V136 HydrophobicContact CG2-CG2 4.34Å; I132-V136 WeakPolarHBondContact O-CG2 3.36Å; I132-V136 PolarHBondContact O-N 3.36Å |
| 133 | I | 96.6 | Very high | 94.7 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 178.1 | -69 | 164.6 | 0 | 0 | 0 | 110.5 | L95 F129 F135 V136 I137 | L95-I133 HydrophobicContact CD1-CB 4.13Å; L95-I133 HydrophobicContact CD1-CG2 3.68Å; F129-I133 WeakPolarHBondContact O-CB 3.29Å; F129-I133 VanDerWaalsContact O-CG1 3.25Å; F129-I133 WeakPolarHBondContact O-CG1 3.47Å; F129-I133 PolarHBondContact O-N 3.15Å; I133-F135 PolarHBondContact O-N 2.79Å; I133-V136 PolarHBondContact O-N 2.94Å; I133-I137 HydrophobicContact CG2-CD1 3.8Å; I133-I137 WeakPolarHBondContact O-CG1 3.43Å; I133-I137 PolarHBondContact O-N 3.32Å |
| 134 | S | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.6 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | M88 A92 T130 W131 I132 C138 | M88-S134 WeakPolarHBondContact O-CB 3.44Å; A92-S134 VanDerWaalsContact CA-OG 3.24Å; A92-S134 WeakPolarHBondContact CA-OG 3.07Å; A92-S134 PolarHBondContact N-OG 3.49Å; T130-S134 PolarHBondContact O-N 3.21Å; T130-S134 PolarHBondContact O-OG 3.32Å; W131-S134 WeakPolarHBondContact O-CB 3.28Å; W131-S134 PolarHBondContact O-N 2.92Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 3.19Å; S134-C138 PolarHBondContact O-N 3.49Å |
| 135 | F | 97 | Very high | 94 | Very high | 121 Ų | 121 | 62.7 Ų | 62.7 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 175.8 | -179.8 | -98.6 | 0 | 0 | 0 | 113 | M88 W131 I132 I133 C138 S139 | M88-F135 HydrophobicContact SD-CB 4.45Å; M88-F135 HydrophobicContact SD-CD2 4.01Å; W131-F135 PolarHBondContact O-N 3.19Å; I132-F135 PolarHBondContact O-N 3.45Å; I133-F135 PolarHBondContact O-N 2.79Å; F135-C138 PolarHBondContact O-N 3.48Å; F135-C138 PolarHBondContact O-SG 3.09Å; F135-S139 WeakPolarHBondContact O-CB 3.43Å; F135-S139 PolarHBondContact O-N 2.98Å; F135-S139 PolarHBondContact O-OG 2.9Å |
| 136 | V | 95.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 61.3 Ų | 61.3 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I132 I133 C138 S139 | I132-V136 HydrophobicContact CG2-CG2 4.34Å; I132-V136 WeakPolarHBondContact O-CG2 3.36Å; I132-V136 PolarHBondContact O-N 3.36Å; I133-V136 PolarHBondContact O-N 2.94Å; V136-C138 PolarHBondContact O-N 2.96Å; V136-S139 PolarHBondContact O-N 3.41Å; V136-S139 PolarHBondContact O-OG 2.67Å; V136-S139 VanDerWaalsContact O-OG 3.11Å |
| 137 | I | 93.5 | Very high | 92.9 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 18% | 0.179 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 178.5 | -71.5 | 163.9 | 0 | 0 | 0 | 111.4 | V87 T91 I133 | V87-I137 HydrophobicContact CG1-CG2 4.18Å; T91-I137 HydrophobicContact CG2-CD1 3.81Å; I133-I137 HydrophobicContact CG2-CD1 3.8Å; I133-I137 WeakPolarHBondContact O-CG1 3.43Å; I133-I137 PolarHBondContact O-N 3.32Å |
| 138 | C | 93.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.054 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.3 | -27.9 | 178.3 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | S84 V87 M88 S134 F135 V136 L140 | S84-C138 VanDerWaalsContact O-CB 3.3Å; S84-C138 WeakPolarHBondContact O-CB 3.45Å; V87-C138 HydrophobicContact CB-CB 4.2Å; V87-C138 HydrophobicContact CG1-CB 4.11Å; M88-C138 HydrophobicContact CB-CB 3.93Å; S134-C138 PolarHBondContact O-N 3.49Å; F135-C138 PolarHBondContact O-N 3.48Å; F135-C138 PolarHBondContact O-SG 3.09Å; V136-C138 PolarHBondContact O-N 2.96Å; C138-L140 PolarHBondContact O-N 3.34Å |
| 139 | S | 92.5 | Very high | 90.8 | Very high | 25 Ų | 25 | 58 Ų | 58 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -12.8 | -177.3 | 70 | 0 | 0 | 0 | 0 | 113.9 | F135 V136 Q141 W142 I143 | F135-S139 WeakPolarHBondContact O-CB 3.43Å; F135-S139 PolarHBondContact O-N 2.98Å; F135-S139 PolarHBondContact O-OG 2.9Å; V136-S139 PolarHBondContact O-N 3.41Å; V136-S139 PolarHBondContact O-OG 2.67Å; V136-S139 VanDerWaalsContact O-OG 3.11Å; S139-Q141 VanDerWaalsContact C-N 3.26Å; S139-Q141 PolarHBondContact O-N 3.42Å; S139-W142 WeakPolarHBondContact O-CA 3.45Å; S139-W142 VanDerWaalsContact O-CB 3.32Å; S139-W142 WeakPolarHBondContact O-CB 3.49Å; S139-W142 PolarHBondContact O-N 3.47Å; S139-I143 PolarHBondContact O-N 3.19Å |
| 140 | L | 89.2 | Confident | 89.5 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.8 | -34.2 | 176.9 | -59.7 | 176 | 0 | 0 | 0 | 113.3 | C138 W142 I143 V144 W147 | C138-L140 PolarHBondContact O-N 3.34Å; L140-W142 PolarHBondContact O-N 3.18Å; L140-I143 PolarHBondContact O-N 3.24Å; L140-V144 PolarHBondContact O-N 3.48Å; L140-W147 HydrophobicContact CB-CE3 4.03Å; L140-W147 HydrophobicContact CB-CZ3 3.73Å; L140-W147 HydrophobicContact CD1-CZ3 4.25Å |
| 141 | Q | 88.9 | Confident | 87.8 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.9 | -9.7 | 174.8 | 78.7 | -178.1 | 58.1 | 0 | 0 | 114.2 | R80 T83 S84 S139 W147 Y164 | R80-Q141 PolarHBondContact NH2-O 3.07Å; T83-Q141 PolarHBondContact OG1-NE2 3.26Å; T83-Q141 VanDerWaalsContact OG1-NE2 3.1Å; S84-Q141 PolarHBondContact OG-NE2 3.19Å; S139-Q141 VanDerWaalsContact C-N 3.26Å; S139-Q141 PolarHBondContact O-N 3.42Å; Q141-W147 HydrophobicContact CB-CB 4.42Å; Q141-Y164 HydrophobicContact CB-CD2 4.28Å; Q141-Y164 HydrophobicContact CB-CE2 3.78Å; Q141-Y164 PolarHBondContact OE1-OH 3.1Å |
| 142 | W | 90.4 | Very high | 86 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 35% | 0.345 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -87.1 | -39.1 | 172.4 | -69.4 | 78.7 | 0 | 0 | 0 | 111.8 | L77 R80 L81 S84 S139 L140 | L77-W142 HydrophobicContact CD1-CH2 3.86Å; R80-W142 HydrophobicContact CB-CH2 4.43Å; R80-W142 HydrophobicContact CB-CZ2 4.18Å; R80-W142 HydrophobicContact CG-CH2 4.04Å; R80-W142 HydrophobicContact CG-CZ2 3.62Å; R80-W142 VanDerWaalsContact NH1-CE3 3.34Å; R80-W142 PolarHBondContact NH2-O 2.99Å; L81-W142 HydrophobicContact CD2-CH2 4.18Å; L81-W142 HydrophobicContact CD2-CZ2 3.92Å; L81-W142 HydrophobicContact CG-CZ2 4.38Å; S84-W142 PolarHBondContact OG-NE1 3.38Å; S139-W142 WeakPolarHBondContact O-CA 3.45Å; S139-W142 VanDerWaalsContact O-CB 3.32Å; S139-W142 WeakPolarHBondContact O-CB 3.49Å; S139-W142 PolarHBondContact O-N 3.47Å; L140-W142 PolarHBondContact O-N 3.18Å |
| 143 | I | 90.2 | Very high | 84.2 | Confident | 120 Ų | 120 | 63.8 Ų | 63.8 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.3 | -51.6 | -177.2 | -59 | 166.5 | 0 | 0 | 0 | 111.3 | S139 L140 P145 | S139-I143 PolarHBondContact O-N 3.19Å; L140-I143 PolarHBondContact O-N 3.24Å; I143-P145 VanDerWaalsContact O-CD 3.27Å; I143-P145 WeakPolarHBondContact O-CD 2.98Å |
| 144 | V | 88.6 | Confident | 83.2 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | trans | -78.9 | 115.5 | -173.5 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | L140 A146 W147 | L140-V144 PolarHBondContact O-N 3.48Å; V144-A146 VanDerWaalsContact C-N 3.29Å; V144-A146 HydrophobicContact CG1-CB 4.27Å; V144-A146 PolarHBondContact O-N 3.18Å; V144-W147 HydrophobicContact CB-CB 4.03Å; V144-W147 HydrophobicContact CB-CD2 3.77Å; V144-W147 HydrophobicContact CB-CE3 4.02Å; V144-W147 HydrophobicContact CB-CG 3.79Å; V144-W147 HydrophobicContact CG1-CB 4.18Å; V144-W147 HydrophobicContact CG1-CD2 3.78Å; V144-W147 HydrophobicContact CG1-CE3 4.48Å; V144-W147 HydrophobicContact CG1-CG 3.6Å; V144-W147 HydrophobicContact CG2-CD2 4.07Å; V144-W147 HydrophobicContact CG2-CE3 3.95Å; V144-W147 HydrophobicContact CG2-CZ3 4.31Å; V144-W147 PolarHBondContact O-N 2.85Å | ||
| 145 | P | 84.8 | Confident | 82.5 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -63.6 | -32.5 | -175.4 | -24.2 | 35.7 | 0 | 0 | 0 | 113.8 | I143 W147 R148 | I143-P145 VanDerWaalsContact O-CD 3.27Å; I143-P145 WeakPolarHBondContact O-CD 2.98Å; P145-W147 PolarHBondContact O-N 2.79Å; P145-R148 WeakPolarHBondContact O-CD 3.39Å; P145-R148 VanDerWaalsContact O-CG 3.28Å; P145-R148 WeakPolarHBondContact O-CG 3.44Å; P145-R148 PolarHBondContact O-N 2.97Å |
| 146 | A | 83.2 | Confident | 82 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -68.8 | -16.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V144 M161 | V144-A146 VanDerWaalsContact C-N 3.29Å; V144-A146 HydrophobicContact CG1-CB 4.27Å; V144-A146 PolarHBondContact O-N 3.18Å; A146-M161 WeakPolarHBondContact O-CG 3.36Å |
| 147 | W | 85 | Confident | 81.5 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -100.2 | 17.9 | -177.8 | -61.2 | -3.6 | 0 | 0 | 0 | 112.5 | L140 Q141 V144 P145 P159 S163 Y164 C167 | L140-W147 HydrophobicContact CB-CE3 4.03Å; L140-W147 HydrophobicContact CB-CZ3 3.73Å; L140-W147 HydrophobicContact CD1-CZ3 4.25Å; Q141-W147 HydrophobicContact CB-CB 4.42Å; V144-W147 HydrophobicContact CB-CB 4.03Å; V144-W147 HydrophobicContact CB-CD2 3.77Å; V144-W147 HydrophobicContact CB-CE3 4.02Å; V144-W147 HydrophobicContact CB-CG 3.79Å; V144-W147 HydrophobicContact CG1-CB 4.18Å; V144-W147 HydrophobicContact CG1-CD2 3.78Å; V144-W147 HydrophobicContact CG1-CE3 4.48Å; V144-W147 HydrophobicContact CG1-CG 3.6Å; V144-W147 HydrophobicContact CG2-CD2 4.07Å; V144-W147 HydrophobicContact CG2-CE3 3.95Å; V144-W147 HydrophobicContact CG2-CZ3 4.31Å; V144-W147 PolarHBondContact O-N 2.85Å; P145-W147 PolarHBondContact O-N 2.79Å; W147-P159 WeakPolarHBondContact O-CB 3.33Å; W147-P159 WeakPolarHBondContact O-CG 3.41Å; W147-S163 PolarHBondContact NE1-OG 3.35Å; W147-Y164 HydrophobicContact CB-CD2 4.05Å; W147-Y164 HydrophobicContact CB-CG 4.43Å; W147-Y164 HydrophobicContact CD2-CD2 4.08Å; W147-Y164 HydrophobicContact CD2-CG 4.48Å; W147-Y164 AromaticContact CE3-CD2 3.9Å; W147-Y164 HydrophobicContact CE3-CD2 3.9Å; W147-Y164 HydrophobicContact CG-CD2 4.17Å; W147-Y164 HydrophobicContact CG-CG 4.38Å; W147-C167 HydrophobicContact CH2-CB 3.73Å; W147-C167 HydrophobicContact CZ2-CB 4.42Å; W147-C167 HydrophobicContact CZ3-CB 4.31Å |
| 148 | R | 80.8 | Confident | 81.2 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | trans | -69.2 | 134.7 | 172.7 | -68.8 | 174.9 | -176.8 | -168.1 | 5.7 | 109.6 | P145 P150 Y421 | P145-R148 WeakPolarHBondContact O-CD 3.39Å; P145-R148 VanDerWaalsContact O-CG 3.28Å; P145-R148 WeakPolarHBondContact O-CG 3.44Å; P145-R148 PolarHBondContact O-N 2.97Å; R148-P150 VanDerWaalsContact O-CD 3.25Å; R148-P150 WeakPolarHBondContact O-CD 3.27Å; R148-Y421 PolarHBondContact NH1-OH 3.42Å | ||
| 149 | T | 70.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -60.6 | 114.5 | 167.8 | 42.2 | 0 | 0 | 0 | 0 | 108.8 | Y76 R80 T83 P159 | Y76-T149 WeakPolarHBondContact CE2-O 3.49Å; R80-T149 WeakPolarHBondContact CB-OG1 3.4Å; R80-T149 WeakPolarHBondContact CG-OG1 3.29Å; T83-T149 HydrophobicContact CG2-CG2 4.11Å; T83-T149 WeakPolarHBondContact OG1-CG2 3.31Å; T149-P159 HydrophobicContact CG2-CG 3.89Å | ||
| 150 | P | 67.9 | Low | 80.3 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | trans | -86.1 | 121.2 | 173.5 | 35.3 | -30 | 0 | 0 | 0 | 108.9 | R148 W152 P160 | R148-P150 VanDerWaalsContact O-CD 3.25Å; R148-P150 WeakPolarHBondContact O-CD 3.27Å; P150-W152 VanDerWaalsContact C-N 3.33Å; P150-W152 HydrophobicContact CB-CG 4.35Å; P150-W152 VanDerWaalsContact CB-NE1 3.28Å; P150-W152 PolarHBondContact O-N 2.86Å; P150-W152 VanDerWaalsContact O-N 3.16Å; P150-P160 HydrophobicContact CG-CG 4.14Å | ||
| 151 | V | 62.3 | Low | 80.1 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | trans | -86.3 | 83.5 | 170.6 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | Y76 C79 | Y76-V151 HydrophobicContact CD2-CB 4.13Å; Y76-V151 HydrophobicContact CD2-CG2 3.72Å; Y76-V151 HydrophobicContact CE2-CG2 4.49Å; Y76-V151 HydrophobicContact CG-CG2 4.44Å; C79-V151 HydrophobicContact CB-CG2 4.02Å | ||
| 152 | W | 59.6 | Low | 80 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | trans | -87.5 | 139.8 | 168.3 | -55.3 | 108.6 | 0 | 0 | 0 | 109.2 | P150 A154 T155 | P150-W152 VanDerWaalsContact C-N 3.33Å; P150-W152 HydrophobicContact CB-CG 4.35Å; P150-W152 VanDerWaalsContact CB-NE1 3.28Å; P150-W152 PolarHBondContact O-N 2.86Å; P150-W152 VanDerWaalsContact O-N 3.16Å; W152-A154 PolarHBondContact O-N 3.41Å; W152-T155 PolarHBondContact O-N 3.36Å; W152-T155 PolarHBondContact O-OG1 3.2Å | ||
| 153 | F | 60.2 | Low | 80 | Confident | 190 Ų | 190 | 58.8 Ų | 58.8 | 83% | 0.833 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 39.6 | 164.7 | -47.5 | -68 | 0 | 0 | 0 | 116.5 | T155 | F153-T155 VanDerWaalsContact C-N 3.3Å; F153-T155 PolarHBondContact O-N 2.72Å |
| 154 | A | 75.7 | Confident | 80 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 45% | 0.446 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R71 W72 W152 | R71-A154 CarbonylContact C-O 3.52Å; R71-A154 WeakPolarHBondContact CA-O 3.24Å; W72-A154 WeakPolarHBondContact CB-O 3.31Å; W72-A154 PolarHBondContact N-O 2.8Å; W152-A154 PolarHBondContact O-N 3.41Å |
| 155 | T | 83.6 | Confident | 80.1 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | trans | -123 | 150.9 | 169.3 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | W152 F153 | W152-T155 PolarHBondContact O-N 3.36Å; W152-T155 PolarHBondContact O-OG1 3.2Å; F153-T155 VanDerWaalsContact C-N 3.3Å; F153-T155 PolarHBondContact O-N 2.72Å | ||
| 156 | C | 87.6 | Confident | 80.5 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.135 | 27% | 0.265 | C | S | . | . | trans | -106.1 | 108.9 | 173.4 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | W72 C79 | W72-C156 HydrophobicContact CB-CB 4.27Å; W72-C156 HydrophobicContact CD2-CB 3.34Å; W72-C156 HydrophobicContact CE3-CB 3.39Å; W72-C156 HydrophobicContact CG-CB 3.74Å; W72-C156 HydrophobicContact CH2-CB 4.22Å; W72-C156 HydrophobicContact CZ2-CB 4.2Å; W72-C156 HydrophobicContact CZ3-CB 3.84Å; C79-C156 WeakPolarHBondContact CA-SG 3.5Å; C79-C156 HydrophobicContact CB-CB 3.82Å; C79-C156 WeakPolarHBondContact CB-SG 3.49Å; C79-C156 WeakPolarHBondContact SG-CA 3.3Å; C79-C156 WeakPolarHBondContact SG-CB 3.36Å; C79-C156 CovalentContact SG-SG 2.04Å; C79-C156 PolarHBondContact SG-SG 3.14Å | ||
| 157 | I | 84.4 | Confident | 81 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | trans | -120 | 152.1 | -178.8 | 61.3 | 172.1 | 0 | 0 | 0 | 111.6 | ||||
| 158 | Y | 87.5 | Confident | 81.4 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 9% | 0.09 | 26% | 0.259 | C | S | . | . | trans | -63.7 | 147.9 | 169.3 | -69.5 | -83.5 | 0 | 0 | 0 | 110.6 | W82 T83 H86 V87 R165 F393 H397 | W82-Y158 HydrophobicContact CZ3-CE2 4.4Å; T83-Y158 HydrophobicContact CG2-CD1 3.85Å; T83-Y158 HydrophobicContact CG2-CE1 3.83Å; T83-Y158 HydrophobicContact CG2-CG 4.33Å; H86-Y158 PolarHBondContact ND1-OH 2.96Å; V87-Y158 HydrophobicContact CG2-CE1 4.49Å; Y158-R165 PolarHBondContact O-NH2 3.36Å; Y158-F393 HydrophobicContact CE2-CE2 4.49Å; Y158-F393 AromaticContact CE2-CZ 3.88Å; Y158-F393 HydrophobicContact CE2-CZ 3.88Å; Y158-H397 AromaticContact CD1-CE1 3.99Å; Y158-H397 AromaticContact CG-CE1 3.81Å | ||
| 159 | P | 85.7 | Confident | 82 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -48.7 | 126.7 | 179 | -24.3 | 30.2 | 0 | 0 | 0 | 111.8 | W147 T149 M161 Y164 R165 | W147-P159 WeakPolarHBondContact O-CB 3.33Å; W147-P159 WeakPolarHBondContact O-CG 3.41Å; T149-P159 HydrophobicContact CG2-CG 3.89Å; P159-M161 VanDerWaalsContact C-N 3.26Å; P159-M161 PolarHBondContact O-N 2.79Å; P159-Y164 HydrophobicContact CB-CD1 3.69Å; P159-Y164 HydrophobicContact CB-CD2 4.44Å; P159-Y164 HydrophobicContact CB-CE1 4.1Å; P159-Y164 HydrophobicContact CB-CG 3.88Å; P159-Y164 VanDerWaalsContact CD-CE1 3.43Å; P159-Y164 HydrophobicContact CG-CD1 3.88Å; P159-Y164 HydrophobicContact CG-CD2 4.25Å; P159-Y164 HydrophobicContact CG-CE1 3.78Å; P159-Y164 HydrophobicContact CG-CE2 4.13Å; P159-Y164 HydrophobicContact CG-CG 4.11Å; P159-Y164 WeakPolarHBondContact O-CD1 3.31Å; P159-R165 PolarHBondContact O-NE 2.92Å | ||
| 160 | P | 79.8 | Confident | 83.2 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | trans | -75.7 | -12.8 | -169.9 | 28.8 | -35.8 | 0 | 0 | 0 | 113.8 | P150 L162 M411 | P150-P160 HydrophobicContact CG-CG 4.14Å; P160-L162 PolarHBondContact O-N 3.05Å; P160-M411 HydrophobicContact CG-CE 4.02Å | ||
| 161 | M | 85.4 | Confident | 84.4 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | trans | -62.5 | 125.1 | -177.2 | -64 | -57 | -74.9 | 0 | 0 | 111.7 | A146 P159 S163 Y164 R165 | A146-M161 WeakPolarHBondContact O-CG 3.36Å; P159-M161 VanDerWaalsContact C-N 3.26Å; P159-M161 PolarHBondContact O-N 2.79Å; M161-S163 PolarHBondContact O-N 3.34Å; M161-S163 VanDerWaalsContact O-N 3.17Å; M161-Y164 WeakPolarHBondContact O-CB 3.35Å; M161-Y164 PolarHBondContact O-N 3.39Å; M161-R165 PolarHBondContact O-N 3.32Å; M161-R165 VanDerWaalsContact O-N 3.1Å | ||
| 162 | L | 87 | Confident | 86 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.9 | -39.5 | 178 | 178.3 | 62.5 | 0 | 0 | 0 | 112.5 | P160 Y164 R165 I166 P401 F402 | P160-L162 PolarHBondContact O-N 3.05Å; L162-Y164 PolarHBondContact O-N 3.45Å; L162-R165 PolarHBondContact O-N 3.49Å; L162-I166 HydrophobicContact CD1-CD1 3.79Å; L162-I166 HydrophobicContact CD1-CG1 3.98Å; L162-I166 HydrophobicContact CD2-CD1 4.39Å; L162-I166 HydrophobicContact CG-CD1 3.78Å; L162-I166 HydrophobicContact CG-CG1 4.34Å; L162-I166 WeakPolarHBondContact O-CG1 3.39Å; L162-I166 PolarHBondContact O-N 3.33Å; L162-P401 HydrophobicContact CB-CB 4.47Å; L162-P401 HydrophobicContact CD1-CB 4.02Å; L162-P401 HydrophobicContact CD1-CG 4.29Å; L162-F402 HydrophobicContact CD1-CE1 4.35Å; L162-F402 HydrophobicContact CD1-CE2 3.76Å; L162-F402 HydrophobicContact CD1-CZ 3.64Å; L162-F402 HydrophobicContact CD2-CE1 4.27Å; L162-F402 HydrophobicContact CD2-CZ 4.19Å |
| 163 | S | 89.6 | Confident | 87.7 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -40.7 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 113 | W147 M161 C167 | W147-S163 PolarHBondContact NE1-OG 3.35Å; M161-S163 PolarHBondContact O-N 3.34Å; M161-S163 VanDerWaalsContact O-N 3.17Å; S163-C167 VanDerWaalsContact O-CB 3.29Å; S163-C167 WeakPolarHBondContact O-CB 3.41Å; S163-C167 PolarHBondContact O-N 3.19Å; S163-C167 PolarHBondContact O-SG 3.18Å |
| 164 | Y | 90.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -50.8 | 172.6 | 168.8 | -96 | 0 | 0 | 0 | 110.7 | Q141 W147 P159 M161 L162 I166 C167 S168 | Q141-Y164 HydrophobicContact CB-CD2 4.28Å; Q141-Y164 HydrophobicContact CB-CE2 3.78Å; Q141-Y164 PolarHBondContact OE1-OH 3.1Å; W147-Y164 HydrophobicContact CB-CD2 4.05Å; W147-Y164 HydrophobicContact CB-CG 4.43Å; W147-Y164 HydrophobicContact CD2-CD2 4.08Å; W147-Y164 HydrophobicContact CD2-CG 4.48Å; W147-Y164 AromaticContact CE3-CD2 3.9Å; W147-Y164 HydrophobicContact CE3-CD2 3.9Å; W147-Y164 HydrophobicContact CG-CD2 4.17Å; W147-Y164 HydrophobicContact CG-CG 4.38Å; P159-Y164 HydrophobicContact CB-CD1 3.69Å; P159-Y164 HydrophobicContact CB-CD2 4.44Å; P159-Y164 HydrophobicContact CB-CE1 4.1Å; P159-Y164 HydrophobicContact CB-CG 3.88Å; P159-Y164 VanDerWaalsContact CD-CE1 3.43Å; P159-Y164 HydrophobicContact CG-CD1 3.88Å; P159-Y164 HydrophobicContact CG-CD2 4.25Å; P159-Y164 HydrophobicContact CG-CE1 3.78Å; P159-Y164 HydrophobicContact CG-CE2 4.13Å; P159-Y164 HydrophobicContact CG-CG 4.11Å; P159-Y164 WeakPolarHBondContact O-CD1 3.31Å; M161-Y164 WeakPolarHBondContact O-CB 3.35Å; M161-Y164 PolarHBondContact O-N 3.39Å; L162-Y164 PolarHBondContact O-N 3.45Å; Y164-I166 VanDerWaalsContact C-N 3.33Å; Y164-I166 PolarHBondContact O-N 2.98Å; Y164-C167 PolarHBondContact O-N 3.16Å; Y164-S168 VanDerWaalsContact O-CB 3.28Å; Y164-S168 WeakPolarHBondContact O-CB 3.24Å; Y164-S168 PolarHBondContact O-N 3.44Å; Y164-S168 PolarHBondContact O-OG 3.28Å; Y164-S168 VanDerWaalsContact O-OG 3.09Å |
| 165 | R | 91.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | -174.8 | -62.9 | -69.6 | -169.2 | 121.5 | 15.3 | 111.9 | Y158 P159 M161 L162 S168 A169 H397 E400 P401 | Y158-R165 PolarHBondContact O-NH2 3.36Å; P159-R165 PolarHBondContact O-NE 2.92Å; M161-R165 PolarHBondContact O-N 3.32Å; M161-R165 VanDerWaalsContact O-N 3.1Å; L162-R165 PolarHBondContact O-N 3.49Å; R165-S168 PolarHBondContact O-OG 3.39Å; R165-A169 VanDerWaalsContact O-CB 3.24Å; R165-A169 WeakPolarHBondContact O-CB 3.33Å; R165-A169 PolarHBondContact O-N 3.12Å; R165-A169 VanDerWaalsContact O-N 3.09Å; R165-H397 WeakPolarHBondContact CD-CE1 3.37Å; R165-H397 VanDerWaalsContact CD-NE2 3.26Å; R165-H397 WeakPolarHBondContact CD-NE2 3.41Å; R165-H397 PolarHBondContact NH1-ND1 3.31Å; R165-E400 IonicContact CZ-OE1 3.29Å; R165-E400 IonicContact CZ-OE2 2.67Å; R165-E400 IonicContact NH1-OE1 3.74Å; R165-E400 IonicContact NH1-OE2 2.92Å; R165-E400 PolarHBondContact NH1-OE2 3.17Å; R165-E400 VanDerWaalsContact NH2-CD 3.31Å; R165-E400 IonicContact NH2-OE1 3.17Å; R165-E400 PolarHBondContact NH2-OE1 2.99Å; R165-E400 IonicContact NH2-OE2 3.79Å; R165-E400 PolarHBondContact NH2-OE2 3.3Å; R165-P401 HydrophobicContact CB-CG 4.05Å; R165-P401 HydrophobicContact CG-CG 3.72Å |
| 166 | I | 92.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 34% | 0.338 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.5 | -56.7 | 173.3 | -67.1 | 173 | 0 | 0 | 0 | 110.8 | L162 Y164 S168 A169 L170 L398 | L162-I166 HydrophobicContact CD1-CD1 3.79Å; L162-I166 HydrophobicContact CD1-CG1 3.98Å; L162-I166 HydrophobicContact CD2-CD1 4.39Å; L162-I166 HydrophobicContact CG-CD1 3.78Å; L162-I166 HydrophobicContact CG-CG1 4.34Å; L162-I166 WeakPolarHBondContact O-CG1 3.39Å; L162-I166 PolarHBondContact O-N 3.33Å; Y164-I166 VanDerWaalsContact C-N 3.33Å; Y164-I166 PolarHBondContact O-N 2.98Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-S168 PolarHBondContact O-N 3.14Å; I166-A169 PolarHBondContact O-N 3.47Å; I166-L170 HydrophobicContact CG2-CD1 3.67Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 WeakPolarHBondContact O-CB 3.4Å; I166-L170 WeakPolarHBondContact O-CG 3.3Å; I166-L170 PolarHBondContact O-N 3.46Å; I166-L398 HydrophobicContact CG1-CD2 4.2Å |
| 167 | C | 92.9 | Very high | 91.5 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 41% | 0.412 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.6 | -41 | -175.9 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | W147 S163 Y164 G171 | W147-C167 HydrophobicContact CH2-CB 3.73Å; W147-C167 HydrophobicContact CZ2-CB 4.42Å; W147-C167 HydrophobicContact CZ3-CB 4.31Å; S163-C167 VanDerWaalsContact O-CB 3.29Å; S163-C167 WeakPolarHBondContact O-CB 3.41Å; S163-C167 PolarHBondContact O-N 3.19Å; S163-C167 PolarHBondContact O-SG 3.18Å; Y164-C167 PolarHBondContact O-N 3.16Å; C167-G171 PolarHBondContact O-N 3.33Å |
| 168 | S | 93.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 177.3 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | Y164 R165 I166 S172 H397 | Y164-S168 VanDerWaalsContact O-CB 3.28Å; Y164-S168 WeakPolarHBondContact O-CB 3.24Å; Y164-S168 PolarHBondContact O-N 3.44Å; Y164-S168 PolarHBondContact O-OG 3.28Å; Y164-S168 VanDerWaalsContact O-OG 3.09Å; R165-S168 PolarHBondContact O-OG 3.39Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-S168 PolarHBondContact O-N 3.14Å; S168-S172 VanDerWaalsContact O-CB 3.25Å; S168-S172 WeakPolarHBondContact O-CB 3.4Å; S168-S172 PolarHBondContact O-N 2.83Å; S168-S172 PolarHBondContact O-OG 3.31Å; S168-H397 PolarHBondContact OG-NE2 3.26Å |
| 169 | A | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -40 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R165 I166 F173 Y174 Y394 L398 | R165-A169 VanDerWaalsContact O-CB 3.24Å; R165-A169 WeakPolarHBondContact O-CB 3.33Å; R165-A169 PolarHBondContact O-N 3.12Å; R165-A169 VanDerWaalsContact O-N 3.09Å; I166-A169 PolarHBondContact O-N 3.47Å; A169-F173 WeakPolarHBondContact O-CB 3.5Å; A169-F173 PolarHBondContact O-N 3.04Å; A169-Y174 HydrophobicContact CB-CD2 4.16Å; A169-Y174 HydrophobicContact CB-CE2 4.14Å; A169-Y174 WeakPolarHBondContact O-CD2 3.46Å; A169-Y174 PolarHBondContact O-N 3.33Å; A169-Y394 HydrophobicContact CB-CD1 4.21Å; A169-L398 HydrophobicContact CB-CD1 4.19Å; A169-L398 HydrophobicContact CB-CD2 3.74Å; A169-L398 HydrophobicContact CB-CG 3.77Å |
| 170 | L | 95.5 | Very high | 92.8 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -64.1 | -48.8 | 175.9 | -69.6 | -179.5 | 0 | 0 | 0 | 111.4 | I166 I175 | I166-L170 HydrophobicContact CG2-CD1 3.67Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 WeakPolarHBondContact O-CB 3.4Å; I166-L170 WeakPolarHBondContact O-CG 3.3Å; I166-L170 PolarHBondContact O-N 3.46Å; L170-I175 HydrophobicContact CB-CD1 4.17Å; L170-I175 HydrophobicContact CB-CG1 4.46Å; L170-I175 VanDerWaalsContact O-CB 3.31Å; L170-I175 WeakPolarHBondContact O-CB 3.29Å; L170-I175 WeakPolarHBondContact O-CG1 3.42Å; L170-I175 PolarHBondContact O-N 2.88Å |
| 171 | G | 93.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -68.3 | -44.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C167 P176 | C167-G171 PolarHBondContact O-N 3.33Å; G171-P176 WeakPolarHBondContact O-CD 3.33Å; G171-P176 WeakPolarHBondContact O-CG 3.34Å |
| 172 | S | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -83.8 | -23.3 | -175.2 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | T91 I94 S168 Y394 | T91-S172 WeakPolarHBondContact OG1-CA 3.45Å; T91-S172 WeakPolarHBondContact OG1-CB 3.23Å; I94-S172 VanDerWaalsContact CG2-O 3.29Å; I94-S172 WeakPolarHBondContact CG2-O 3.33Å; S168-S172 VanDerWaalsContact O-CB 3.25Å; S168-S172 WeakPolarHBondContact O-CB 3.4Å; S168-S172 PolarHBondContact O-N 2.83Å; S168-S172 PolarHBondContact O-OG 3.31Å; S172-Y394 WeakPolarHBondContact OG-CE1 3.22Å; S172-Y394 PolarHBondContact OG-OH 3.02Å |
| 173 | F | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -133.8 | -63.4 | -173.6 | -174.9 | -107.8 | 0 | 0 | 0 | 114.1 | I94 A169 I175 P176 L177 F386 W390 M391 Y394 | I94-F173 HydrophobicContact CD1-CD2 4.11Å; I94-F173 HydrophobicContact CD1-CE2 4.42Å; A169-F173 WeakPolarHBondContact O-CB 3.5Å; A169-F173 PolarHBondContact O-N 3.04Å; F173-I175 PolarHBondContact O-N 3.04Å; F173-P176 WeakPolarHBondContact O-CD 3.34Å; F173-L177 HydrophobicContact CD1-CD2 4.39Å; F173-L177 HydrophobicContact CE1-CD2 3.7Å; F173-L177 HydrophobicContact CZ-CD2 3.87Å; F173-L177 WeakPolarHBondContact O-CB 3.37Å; F173-L177 PolarHBondContact O-N 3.48Å; F173-F386 HydrophobicContact CD2-CE1 4.12Å; F173-F386 HydrophobicContact CE2-CD1 4.38Å; F173-F386 AromaticContact CE2-CE1 3.87Å; F173-F386 HydrophobicContact CE2-CE1 3.87Å; F173-W390 HydrophobicContact CD2-CB 4.22Å; F173-W390 HydrophobicContact CE2-CB 3.6Å; F173-W390 HydrophobicContact CZ-CB 4.27Å; F173-M391 HydrophobicContact CE1-CB 4.27Å; F173-M391 HydrophobicContact CZ-CB 3.94Å; F173-Y394 HydrophobicContact CB-CD1 3.68Å; F173-Y394 HydrophobicContact CB-CD2 3.61Å; F173-Y394 HydrophobicContact CB-CE1 3.79Å; F173-Y394 HydrophobicContact CB-CE2 3.72Å; F173-Y394 HydrophobicContact CB-CG 3.57Å; F173-Y394 AromaticContact CD1-CD2 3.85Å; F173-Y394 HydrophobicContact CD1-CD2 3.85Å; F173-Y394 AromaticContact CD1-CG 3.74Å; F173-Y394 HydrophobicContact CD1-CG 3.74Å; F173-Y394 AromaticContact CD2-CD2 3.44Å; F173-Y394 HydrophobicContact CD2-CD2 3.44Å; F173-Y394 VanDerWaalsContact CD2-CD2 3.44Å; F173-Y394 AromaticContact CD2-CE2 3.69Å; F173-Y394 HydrophobicContact CD2-CE2 3.69Å; F173-Y394 HydrophobicContact CD2-CG 4.15Å; F173-Y394 HydrophobicContact CE1-CD2 4.37Å; F173-Y394 HydrophobicContact CE1-CG 4.45Å; F173-Y394 HydrophobicContact CE2-CD2 4.02Å; F173-Y394 HydrophobicContact CE2-CE2 4.5Å; F173-Y394 HydrophobicContact CG-CD1 4.21Å; F173-Y394 AromaticContact CG-CD2 3.35Å; F173-Y394 HydrophobicContact CG-CD2 3.35Å; F173-Y394 AromaticContact CG-CE2 3.81Å; F173-Y394 HydrophobicContact CG-CE2 3.81Å; F173-Y394 AromaticContact CG-CG 3.56Å; F173-Y394 HydrophobicContact CG-CG 3.56Å; F173-Y394 HydrophobicContact CZ-CD2 4.45Å |
| 174 | Y | 97.2 | Very high | 94.1 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 18% | 0.184 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -69.3 | -39.1 | -166 | -70 | -81.7 | 0 | 0 | 0 | 114.3 | A169 L177 I178 Y394 T395 L398 | A169-Y174 HydrophobicContact CB-CD2 4.16Å; A169-Y174 HydrophobicContact CB-CE2 4.14Å; A169-Y174 WeakPolarHBondContact O-CD2 3.46Å; A169-Y174 PolarHBondContact O-N 3.33Å; Y174-L177 HydrophobicContact CD1-CD2 4.45Å; Y174-L177 PolarHBondContact O-N 3.34Å; Y174-I178 VanDerWaalsContact O-CG1 3.3Å; Y174-I178 WeakPolarHBondContact O-CG1 3.24Å; Y174-I178 PolarHBondContact O-N 3.41Å; Y174-Y394 PolarHBondContact OH-O 2.71Å; Y174-T395 WeakPolarHBondContact OH-CA 3.5Å; Y174-T395 PolarHBondContact OH-N 3.45Å; Y174-T395 PolarHBondContact OH-OG1 2.93Å; Y174-L398 HydrophobicContact CD2-CD1 4.08Å; Y174-L398 HydrophobicContact CE2-CD1 3.36Å; Y174-L398 HydrophobicContact CE2-CG 4.28Å |
| 175 | I | 96.6 | Very high | 94.1 | Very high | 104 Ų | 104 | 44 Ų | 44 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.7 | -50 | 175.9 | -65.1 | 168.7 | 0 | 0 | 0 | 110.7 | L170 F173 L177 I178 L179 | L170-I175 HydrophobicContact CB-CD1 4.17Å; L170-I175 HydrophobicContact CB-CG1 4.46Å; L170-I175 VanDerWaalsContact O-CB 3.31Å; L170-I175 WeakPolarHBondContact O-CB 3.29Å; L170-I175 WeakPolarHBondContact O-CG1 3.42Å; L170-I175 PolarHBondContact O-N 2.88Å; F173-I175 PolarHBondContact O-N 3.04Å; I175-L177 VanDerWaalsContact C-N 3.28Å; I175-L177 PolarHBondContact O-N 2.81Å; I175-I178 PolarHBondContact O-N 3.46Å; I175-L179 WeakPolarHBondContact O-CB 3.28Å; I175-L179 PolarHBondContact O-N 2.96Å; I175-L179 VanDerWaalsContact O-N 3.1Å |
| 176 | P | 96.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.2 | -38.6 | 170 | -27.8 | 35.2 | 0 | 0 | 0 | 113.8 | I94 L95 C98 G171 F173 L179 M180 | I94-P176 HydrophobicContact CB-CB 4.36Å; I94-P176 HydrophobicContact CD1-CB 3.8Å; I94-P176 HydrophobicContact CG1-CB 3.77Å; I94-P176 HydrophobicContact CG2-CB 3.7Å; I94-P176 HydrophobicContact CG2-CG 4.13Å; L95-P176 HydrophobicContact CD2-CB 4.11Å; L95-P176 HydrophobicContact CD2-CG 3.96Å; C98-P176 PolarHBondContact SG-O 2.98Å; C98-P176 VanDerWaalsContact SG-O 3.34Å; G171-P176 WeakPolarHBondContact O-CD 3.33Å; G171-P176 WeakPolarHBondContact O-CG 3.34Å; F173-P176 WeakPolarHBondContact O-CD 3.34Å; P176-L179 PolarHBondContact O-N 2.96Å; P176-M180 WeakPolarHBondContact O-CB 3.38Å; P176-M180 PolarHBondContact O-N 3.26Å |
| 177 | L | 96.5 | Very high | 94.1 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 178.8 | 175 | 61.9 | 0 | 0 | 0 | 112 | I94 F173 Y174 I175 L179 M180 L181 V387 | I94-L177 HydrophobicContact CD1-CB 4.13Å; F173-L177 HydrophobicContact CD1-CD2 4.39Å; F173-L177 HydrophobicContact CE1-CD2 3.7Å; F173-L177 HydrophobicContact CZ-CD2 3.87Å; F173-L177 WeakPolarHBondContact O-CB 3.37Å; F173-L177 PolarHBondContact O-N 3.48Å; Y174-L177 HydrophobicContact CD1-CD2 4.45Å; Y174-L177 PolarHBondContact O-N 3.34Å; I175-L177 VanDerWaalsContact C-N 3.28Å; I175-L177 PolarHBondContact O-N 2.81Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 3.34Å; L177-M180 HydrophobicContact CD1-CE 3.68Å; L177-M180 PolarHBondContact O-N 3.4Å; L177-L181 HydrophobicContact CD1-CD1 3.76Å; L177-L181 HydrophobicContact CD1-CG 3.91Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.41Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 2.99Å; L177-V387 HydrophobicContact CD1-CB 4.49Å; L177-V387 HydrophobicContact CD1-CG1 4.29Å; L177-V387 HydrophobicContact CD1-CG2 3.44Å; L177-V387 VanDerWaalsContact CD1-CG2 3.44Å |
| 178 | I | 96.6 | Very high | 93.9 | Very high | 120 Ų | 120 | 43.7 Ų | 43.7 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.2 | -44.2 | 177.6 | -68.7 | 164.5 | 0 | 0 | 0 | 110.3 | Y174 I175 F182 | Y174-I178 VanDerWaalsContact O-CG1 3.3Å; Y174-I178 WeakPolarHBondContact O-CG1 3.24Å; Y174-I178 PolarHBondContact O-N 3.41Å; I175-I178 PolarHBondContact O-N 3.46Å; I178-F182 VanDerWaalsContact O-CB 3.31Å; I178-F182 WeakPolarHBondContact O-CB 3.48Å; I178-F182 PolarHBondContact O-N 3.48Å |
| 179 | L | 95.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.4 | -175.2 | 65 | 0 | 0 | 0 | 111.7 | F102 I175 P176 L177 F182 V183 | F102-L179 HydrophobicContact CE2-CD1 3.95Å; F102-L179 HydrophobicContact CE2-CD2 4.08Å; F102-L179 HydrophobicContact CE2-CG 3.92Å; F102-L179 HydrophobicContact CZ-CD1 3.77Å; F102-L179 HydrophobicContact CZ-CG 4.25Å; I175-L179 WeakPolarHBondContact O-CB 3.28Å; I175-L179 PolarHBondContact O-N 2.96Å; I175-L179 VanDerWaalsContact O-N 3.1Å; P176-L179 PolarHBondContact O-N 2.96Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 3.34Å; L179-F182 PolarHBondContact O-N 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.46Å; L179-V183 PolarHBondContact O-N 3.08Å; L179-V183 VanDerWaalsContact O-N 3.14Å |
| 180 | M | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -55.7 | 177 | -173.5 | 176.5 | 58.3 | 0 | 0 | 110.9 | I94 L97 P176 L177 F182 V183 Y184 V383 V387 | I94-M180 HydrophobicContact CD1-CE 4.19Å; I94-M180 HydrophobicContact CG1-CE 4.39Å; I94-M180 HydrophobicContact CG1-SD 4.38Å; L97-M180 HydrophobicContact CB-SD 3.77Å; L97-M180 HydrophobicContact CD1-SD 4.2Å; P176-M180 WeakPolarHBondContact O-CB 3.38Å; P176-M180 PolarHBondContact O-N 3.26Å; L177-M180 HydrophobicContact CD1-CE 3.68Å; L177-M180 PolarHBondContact O-N 3.4Å; M180-F182 VanDerWaalsContact C-N 3.34Å; M180-F182 PolarHBondContact O-N 3.26Å; M180-V183 PolarHBondContact O-N 3.2Å; M180-V183 VanDerWaalsContact O-N 3.14Å; M180-Y184 HydrophobicContact CG-CD2 3.72Å; M180-Y184 HydrophobicContact CG-CE2 3.55Å; M180-Y184 WeakPolarHBondContact O-CD2 3.16Å; M180-Y184 PolarHBondContact O-N 3.02Å; M180-Y184 HydrophobicContact SD-CE2 4.44Å; M180-V383 HydrophobicContact CE-CG1 3.9Å; M180-V383 HydrophobicContact CG-CG1 4.24Å; M180-V383 HydrophobicContact SD-CG1 3.88Å; M180-V383 HydrophobicContact SD-CG2 4.12Å; M180-V387 HydrophobicContact CE-CG2 3.82Å |
| 181 | L | 93.1 | Very high | 93 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | -179.2 | -70.5 | 173.7 | 0 | 0 | 0 | 111.8 | L177 V183 Y184 L185 | L177-L181 HydrophobicContact CD1-CD1 3.76Å; L177-L181 HydrophobicContact CD1-CG 3.91Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.41Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 2.99Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.22Å; L181-Y184 PolarHBondContact O-N 3.47Å; L181-L185 WeakPolarHBondContact O-CB 3.36Å; L181-L185 VanDerWaalsContact O-CG 3.26Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 3.04Å |
| 182 | F | 93.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56 | -47.1 | 175.1 | 172.4 | -95.8 | 0 | 0 | 0 | 112.1 | I178 L179 M180 L185 K186 | I178-F182 VanDerWaalsContact O-CB 3.31Å; I178-F182 WeakPolarHBondContact O-CB 3.48Å; I178-F182 PolarHBondContact O-N 3.48Å; L179-F182 PolarHBondContact O-N 3.31Å; M180-F182 VanDerWaalsContact C-N 3.34Å; M180-F182 PolarHBondContact O-N 3.26Å; F182-L185 PolarHBondContact O-N 3.02Å; F182-K186 HydrophobicContact CE1-CG 4.32Å; F182-K186 VanDerWaalsContact CE2-CE 3.48Å; F182-K186 HydrophobicContact CZ-CD 4.47Å; F182-K186 HydrophobicContact CZ-CG 4.38Å; F182-K186 VanDerWaalsContact O-CG 3.26Å; F182-K186 WeakPolarHBondContact O-CG 3.39Å; F182-K186 PolarHBondContact O-N 3.45Å; F182-K186 VanDerWaalsContact O-N 3.1Å |
| 183 | V | 92.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 178.4 | 176 | 0 | 0 | 0 | 0 | 111.2 | G101 F102 L179 M180 L181 K186 I187 | G101-V183 VanDerWaalsContact C-CG1 3.42Å; G101-V183 WeakPolarHBondContact O-CG1 3.45Å; F102-V183 HydrophobicContact CD1-CG2 3.94Å; F102-V183 HydrophobicContact CD2-CG2 4.19Å; F102-V183 HydrophobicContact CE1-CG2 3.52Å; F102-V183 HydrophobicContact CE2-CG2 3.79Å; F102-V183 HydrophobicContact CG-CG2 4.25Å; F102-V183 HydrophobicContact CZ-CG2 3.43Å; F102-V183 VanDerWaalsContact CZ-CG2 3.43Å; L179-V183 WeakPolarHBondContact O-CG2 3.46Å; L179-V183 PolarHBondContact O-N 3.08Å; L179-V183 VanDerWaalsContact O-N 3.14Å; M180-V183 PolarHBondContact O-N 3.2Å; M180-V183 VanDerWaalsContact O-N 3.14Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.22Å; V183-K186 WeakPolarHBondContact O-CB 3.37Å; V183-K186 PolarHBondContact O-N 2.95Å; V183-I187 HydrophobicContact CG1-CD1 3.96Å; V183-I187 HydrophobicContact CG1-CG1 4.47Å; V183-I187 WeakPolarHBondContact O-CG1 3.41Å; V183-I187 PolarHBondContact O-N 3.38Å |
| 184 | Y | 89.1 | Confident | 91.6 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 177.5 | -76 | -69.5 | 0 | 0 | 0 | 113.2 | L97 G101 M180 L181 K186 I187 L188 I379 V383 | L97-Y184 PolarHBondContact O-OH 3.3Å; G101-Y184 VanDerWaalsContact CA-OH 3.27Å; G101-Y184 WeakPolarHBondContact CA-OH 3.39Å; G101-Y184 PolarHBondContact N-OH 3.1Å; M180-Y184 HydrophobicContact CG-CD2 3.72Å; M180-Y184 HydrophobicContact CG-CE2 3.55Å; M180-Y184 WeakPolarHBondContact O-CD2 3.16Å; M180-Y184 PolarHBondContact O-N 3.02Å; M180-Y184 HydrophobicContact SD-CE2 4.44Å; L181-Y184 PolarHBondContact O-N 3.47Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 2.91Å; Y184-I187 HydrophobicContact CD1-CD1 4Å; Y184-I187 HydrophobicContact CE1-CD1 4.03Å; Y184-I187 PolarHBondContact O-N 2.74Å; Y184-L188 WeakPolarHBondContact O-CB 3.39Å; Y184-L188 VanDerWaalsContact O-CG 3.26Å; Y184-L188 WeakPolarHBondContact O-CG 3.41Å; Y184-L188 PolarHBondContact O-N 2.7Å; Y184-I379 HydrophobicContact CE1-CG2 3.52Å; Y184-I379 WeakPolarHBondContact OH-CG2 3.4Å; Y184-V383 HydrophobicContact CD2-CB 4.46Å; Y184-V383 HydrophobicContact CD2-CG1 3.94Å; Y184-V383 HydrophobicContact CD2-CG2 3.87Å; Y184-V383 HydrophobicContact CE1-CG2 4.11Å; Y184-V383 HydrophobicContact CE2-CB 4.34Å; Y184-V383 HydrophobicContact CE2-CG1 4.19Å; Y184-V383 HydrophobicContact CE2-CG2 3.31Å; Y184-V383 VanDerWaalsContact CZ-CG2 3.46Å |
| 185 | L | 91.4 | Very high | 90.9 | Very high | 120 Ų | 120 | 60.6 Ų | 60.6 | 63% | 0.628 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.4 | -39.9 | 173.2 | -70.5 | 170.5 | 0 | 0 | 0 | 111.6 | L181 F182 K189 | L181-L185 WeakPolarHBondContact O-CB 3.36Å; L181-L185 VanDerWaalsContact O-CG 3.26Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 3.04Å; F182-L185 PolarHBondContact O-N 3.02Å; L185-K189 WeakPolarHBondContact O-CB 3.15Å; L185-K189 PolarHBondContact O-N 3.49Å |
| 186 | K | 92.2 | Very high | 90.3 | Very high | 87 Ų | 87 | 62.6 Ų | 62.6 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 173.6 | -65.1 | -82.6 | -175.8 | 170.7 | 0 | 111.6 | Y105 F182 V183 Y184 L188 K189 V190 | Y105-K186 HydrophobicContact CD2-CB 4.05Å; Y105-K186 HydrophobicContact CE2-CB 3.63Å; F182-K186 HydrophobicContact CE1-CG 4.32Å; F182-K186 VanDerWaalsContact CE2-CE 3.48Å; F182-K186 HydrophobicContact CZ-CD 4.47Å; F182-K186 HydrophobicContact CZ-CG 4.38Å; F182-K186 VanDerWaalsContact O-CG 3.26Å; F182-K186 WeakPolarHBondContact O-CG 3.39Å; F182-K186 PolarHBondContact O-N 3.45Å; F182-K186 VanDerWaalsContact O-N 3.1Å; V183-K186 WeakPolarHBondContact O-CB 3.37Å; V183-K186 PolarHBondContact O-N 2.95Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 2.91Å; K186-L188 PolarHBondContact O-N 3.35Å; K186-K189 PolarHBondContact O-N 3.48Å; K186-V190 WeakPolarHBondContact O-CG2 3.5Å; K186-V190 PolarHBondContact O-N 3.48Å; K186-V190 VanDerWaalsContact O-N 3.09Å |
| 187 | I | 90.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56 | -50.4 | 175.9 | -71.5 | 168.9 | 0 | 0 | 0 | 110.9 | G101 R104 Y105 I108 V183 Y184 K189 V190 I191 I376 | G101-I187 WeakPolarHBondContact O-CD1 3.09Å; R104-I187 HydrophobicContact CB-CD1 4.18Å; Y105-I187 HydrophobicContact CD2-CG1 3.95Å; Y105-I187 HydrophobicContact CG-CG1 4.42Å; I108-I187 HydrophobicContact CD1-CG2 3.96Å; V183-I187 HydrophobicContact CG1-CD1 3.96Å; V183-I187 HydrophobicContact CG1-CG1 4.47Å; V183-I187 WeakPolarHBondContact O-CG1 3.41Å; V183-I187 PolarHBondContact O-N 3.38Å; Y184-I187 HydrophobicContact CD1-CD1 4Å; Y184-I187 HydrophobicContact CE1-CD1 4.03Å; Y184-I187 PolarHBondContact O-N 2.74Å; I187-K189 PolarHBondContact O-N 3.28Å; I187-V190 PolarHBondContact O-N 2.92Å; I187-I191 HydrophobicContact CG2-CD1 3.57Å; I187-I191 WeakPolarHBondContact O-CD1 3.31Å; I187-I191 VanDerWaalsContact O-CG1 3.31Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 3.47Å; I187-I376 HydrophobicContact CG2-CG2 3.81Å |
| 188 | L | 88.5 | Confident | 89.1 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 179.9 | -70 | 171.8 | 0 | 0 | 0 | 111.8 | Y184 K186 V190 I191 Q192 V257 | Y184-L188 WeakPolarHBondContact O-CB 3.39Å; Y184-L188 VanDerWaalsContact O-CG 3.26Å; Y184-L188 WeakPolarHBondContact O-CG 3.41Å; Y184-L188 PolarHBondContact O-N 2.7Å; K186-L188 PolarHBondContact O-N 3.35Å; L188-V190 PolarHBondContact O-N 3.27Å; L188-I191 PolarHBondContact O-N 2.96Å; L188-Q192 WeakPolarHBondContact O-CB 3.48Å; L188-Q192 VanDerWaalsContact O-CG 3.29Å; L188-Q192 WeakPolarHBondContact O-CG 3.1Å; L188-Q192 PolarHBondContact O-N 3.31Å; L188-V257 HydrophobicContact CD2-CB 4.28Å; L188-V257 HydrophobicContact CD2-CG1 3.91Å; L188-V257 HydrophobicContact CD2-CG2 3.98Å |
| 189 | K | 90.7 | Very high | 88.4 | Confident | 157 Ų | 157 | 65.3 Ų | 65.3 | 68% | 0.683 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 175.9 | -176.2 | 172.1 | -179.4 | 171.9 | 0 | 112.3 | L185 K186 I187 C193 | L185-K189 WeakPolarHBondContact O-CB 3.15Å; L185-K189 PolarHBondContact O-N 3.49Å; K186-K189 PolarHBondContact O-N 3.48Å; I187-K189 PolarHBondContact O-N 3.28Å; K189-C193 WeakPolarHBondContact O-CB 3.46Å; K189-C193 PolarHBondContact O-N 2.9Å |
| 190 | V | 88.5 | Confident | 87.8 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.7 | 178 | 0 | 0 | 0 | 0 | 111.7 | I108 T109 K186 I187 L188 C193 R194 | I108-V190 HydrophobicContact CG2-CB 4.43Å; I108-V190 HydrophobicContact CG2-CG1 3.72Å; T109-V190 HydrophobicContact CG2-CG2 4.12Å; K186-V190 WeakPolarHBondContact O-CG2 3.5Å; K186-V190 PolarHBondContact O-N 3.48Å; K186-V190 VanDerWaalsContact O-N 3.09Å; I187-V190 PolarHBondContact O-N 2.92Å; L188-V190 PolarHBondContact O-N 3.27Å; V190-C193 WeakPolarHBondContact O-CB 3.29Å; V190-C193 PolarHBondContact O-N 3.31Å; V190-R194 PolarHBondContact O-N 3.24Å |
| 191 | I | 85.5 | Confident | 87.2 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.8 | -64 | 157.3 | 0 | 0 | 0 | 111.2 | I187 L188 C193 R194 L195 I376 | I187-I191 HydrophobicContact CG2-CD1 3.57Å; I187-I191 WeakPolarHBondContact O-CD1 3.31Å; I187-I191 VanDerWaalsContact O-CG1 3.31Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 3.47Å; L188-I191 PolarHBondContact O-N 2.96Å; I191-C193 VanDerWaalsContact C-N 3.26Å; I191-C193 PolarHBondContact O-N 3.11Å; I191-R194 PolarHBondContact O-N 2.74Å; I191-L195 HydrophobicContact CG2-CD1 3.86Å; I191-L195 HydrophobicContact CG2-CG 4.19Å; I191-L195 WeakPolarHBondContact O-CG 3.44Å; I191-L195 PolarHBondContact O-N 3.18Å; I191-I376 HydrophobicContact CD1-CB 4.12Å; I191-I376 HydrophobicContact CD1-CD1 3.6Å; I191-I376 HydrophobicContact CD1-CG1 4.2Å; I191-I376 HydrophobicContact CD1-CG2 3.55Å; I191-I376 HydrophobicContact CG1-CD1 4.07Å |
| 192 | Q | 85.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 176.7 | -73.1 | 175.9 | 6.4 | 0 | 0 | 111.3 | L188 L195 K196 | L188-Q192 WeakPolarHBondContact O-CB 3.48Å; L188-Q192 VanDerWaalsContact O-CG 3.29Å; L188-Q192 WeakPolarHBondContact O-CG 3.1Å; L188-Q192 PolarHBondContact O-N 3.31Å; Q192-L195 PolarHBondContact O-N 3.32Å; Q192-K196 WeakPolarHBondContact O-CG 3.44Å; Q192-K196 PolarHBondContact O-N 3.16Å |
| 193 | C | 88 | Confident | 86.1 | Confident | 85 Ų | 85 | 69 Ų | 69 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.6 | -48.3 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 112 | K189 V190 I191 L195 K196 L197 | K189-C193 WeakPolarHBondContact O-CB 3.46Å; K189-C193 PolarHBondContact O-N 2.9Å; V190-C193 WeakPolarHBondContact O-CB 3.29Å; V190-C193 PolarHBondContact O-N 3.31Å; I191-C193 VanDerWaalsContact C-N 3.26Å; I191-C193 PolarHBondContact O-N 3.11Å; C193-L195 PolarHBondContact O-N 3.4Å; C193-K196 PolarHBondContact O-N 3.01Å; C193-L197 PolarHBondContact O-N 3.15Å |
| 194 | R | 82 | Confident | 85.5 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.2 | -73.8 | -176.8 | 174.2 | -179.3 | 1.9 | 112.6 | I108 V190 I191 K196 L197 I198 E372 | I108-R194 PolarHBondContact O-NH1 3.24Å; I108-R194 PolarHBondContact O-NH2 3.1Å; V190-R194 PolarHBondContact O-N 3.24Å; I191-R194 PolarHBondContact O-N 2.74Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 3.28Å; R194-L197 PolarHBondContact O-N 3.31Å; R194-I198 VanDerWaalsContact O-CD1 3.26Å; R194-I198 WeakPolarHBondContact O-CD1 3.4Å; R194-I198 WeakPolarHBondContact O-CG1 3.01Å; R194-I198 PolarHBondContact O-N 2.93Å; R194-E372 IonicContact NH1-OE2 3.85Å |
| 195 | L | 82.5 | Confident | 85 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 178.9 | -70 | 175.1 | 0 | 0 | 0 | 112.1 | I191 Q192 C193 G199 | I191-L195 HydrophobicContact CG2-CD1 3.86Å; I191-L195 HydrophobicContact CG2-CG 4.19Å; I191-L195 WeakPolarHBondContact O-CG 3.44Å; I191-L195 PolarHBondContact O-N 3.18Å; Q192-L195 PolarHBondContact O-N 3.32Å; C193-L195 PolarHBondContact O-N 3.4Å; L195-G199 PolarHBondContact O-N 3.03Å |
| 196 | K | 85.3 | Confident | 84.3 | Confident | 145 Ų | 145 | 79.4 Ų | 79.4 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.4 | -48.2 | 172.5 | -73.5 | 177.9 | -179.5 | -172.1 | 0 | 111.4 | Q192 C193 R194 I198 G199 H200 | Q192-K196 WeakPolarHBondContact O-CG 3.44Å; Q192-K196 PolarHBondContact O-N 3.16Å; C193-K196 PolarHBondContact O-N 3.01Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 3.28Å; K196-I198 PolarHBondContact O-N 2.88Å; K196-G199 WeakPolarHBondContact O-CA 3.4Å; K196-G199 PolarHBondContact O-N 3.02Å; K196-G199 VanDerWaalsContact O-N 3.14Å; K196-H200 PolarHBondContact O-CD2 3Å; K196-H200 PolarHBondContact O-N 3.35Å |
| 197 | L | 86.1 | Confident | 83.5 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 178.7 | 179.7 | 61.2 | 0 | 0 | 0 | 112.3 | C193 R194 G199 H200 L201 | C193-L197 PolarHBondContact O-N 3.15Å; R194-L197 PolarHBondContact O-N 3.31Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.31Å; L197-H200 PolarHBondContact O-N 3.18Å; L197-L201 HydrophobicContact CD1-CD1 4.31Å; L197-L201 HydrophobicContact CD1-CG 4.32Å; L197-L201 HydrophobicContact CG-CD1 4.12Å; L197-L201 WeakPolarHBondContact O-CG 3.27Å; L197-L201 PolarHBondContact O-N 2.9Å |
| 198 | I | 82.3 | Confident | 82.7 | Confident | 55 Ų | 55 | 84 Ų | 84 | 28% | 0.282 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.2 | -61 | 153.2 | 0 | 0 | 0 | 110.7 | R194 K196 L201 T202 L369 | R194-I198 VanDerWaalsContact O-CD1 3.26Å; R194-I198 WeakPolarHBondContact O-CD1 3.4Å; R194-I198 WeakPolarHBondContact O-CG1 3.01Å; R194-I198 PolarHBondContact O-N 2.93Å; K196-I198 PolarHBondContact O-N 2.88Å; I198-L201 PolarHBondContact O-N 2.92Å; I198-T202 HydrophobicContact CG2-CG2 4.32Å; I198-T202 WeakPolarHBondContact O-CB 3.45Å; I198-T202 WeakPolarHBondContact O-CG2 3.23Å; I198-T202 PolarHBondContact O-N 3.07Å; I198-T202 PolarHBondContact O-OG1 3.15Å; I198-L369 HydrophobicContact CD1-CD1 3.44Å; I198-L369 VanDerWaalsContact CD1-CD1 3.44Å; I198-L369 HydrophobicContact CD1-CD2 4.22Å; I198-L369 HydrophobicContact CD1-CG 4.33Å; I198-L369 HydrophobicContact CG1-CD1 4.17Å |
| 199 | G | 80.4 | Confident | 82 | Confident | 38 Ų | 38 | 87 Ų | 87 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L195 K196 L197 T202 A203 | L195-G199 PolarHBondContact O-N 3.03Å; K196-G199 WeakPolarHBondContact O-CA 3.4Å; K196-G199 PolarHBondContact O-N 3.02Å; K196-G199 VanDerWaalsContact O-N 3.14Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.31Å; G199-T202 PolarHBondContact O-OG1 3.43Å; G199-A203 VanDerWaalsContact O-CB 3.31Å; G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 3.39Å |
| 200 | H | 82.9 | Confident | 81.2 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.3 | -44.6 | 175 | -73.3 | -69.3 | 0 | 0 | 0 | 112.5 | K196 L197 A203 N204 | K196-H200 PolarHBondContact O-CD2 3Å; K196-H200 PolarHBondContact O-N 3.35Å; L197-H200 PolarHBondContact O-N 3.18Å; H200-A203 PolarHBondContact O-N 3.29Å; H200-N204 VanDerWaalsContact O-CG 3.31Å; H200-N204 PolarHBondContact O-N 3.04Å; H200-N204 PolarHBondContact O-OD1 3.39Å |
| 201 | L | 81.9 | Confident | 80.4 | Confident | 101 Ų | 101 | 85.9 Ų | 85.9 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 178.7 | -69.1 | 171.8 | 0 | 0 | 0 | 111.9 | L197 I198 A203 N204 E205 | L197-L201 HydrophobicContact CD1-CD1 4.31Å; L197-L201 HydrophobicContact CD1-CG 4.32Å; L197-L201 HydrophobicContact CG-CD1 4.12Å; L197-L201 WeakPolarHBondContact O-CG 3.27Å; L197-L201 PolarHBondContact O-N 2.9Å; I198-L201 PolarHBondContact O-N 2.92Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 2.9Å; L201-N204 PolarHBondContact O-N 3.48Å; L201-E205 WeakPolarHBondContact O-CB 3.11Å; L201-E205 PolarHBondContact O-N 3.37Å |
| 202 | T | 81.4 | Confident | 79.5 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 37% | 0.368 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.2 | -22.4 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | I198 G199 K206 | I198-T202 HydrophobicContact CG2-CG2 4.32Å; I198-T202 WeakPolarHBondContact O-CB 3.45Å; I198-T202 WeakPolarHBondContact O-CG2 3.23Å; I198-T202 PolarHBondContact O-N 3.07Å; I198-T202 PolarHBondContact O-OG1 3.15Å; G199-T202 PolarHBondContact O-OG1 3.43Å; T202-K206 WeakPolarHBondContact O-CD 3.38Å; T202-K206 VanDerWaalsContact O-CG 3.27Å; T202-K206 WeakPolarHBondContact O-CG 3.48Å; T202-K206 PolarHBondContact O-N 3.19Å |
| 203 | A | 81.5 | Confident | 78.8 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74.1 | -42.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G199 H200 L201 K206 S207 | G199-A203 VanDerWaalsContact O-CB 3.31Å; G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 3.39Å; H200-A203 PolarHBondContact O-N 3.29Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 2.9Å; A203-K206 PolarHBondContact O-N 2.9Å; A203-S207 PolarHBondContact O-N 3.43Å |
| 204 | N | 79.4 | Confident | 77.8 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 177.5 | -71.1 | 7.5 | 0 | 0 | 0 | 111.8 | H200 L201 K206 S207 L208 | H200-N204 VanDerWaalsContact O-CG 3.31Å; H200-N204 PolarHBondContact O-N 3.04Å; H200-N204 PolarHBondContact O-OD1 3.39Å; L201-N204 PolarHBondContact O-N 3.48Å; N204-K206 PolarHBondContact O-N 3.33Å; N204-S207 WeakPolarHBondContact CA-OG 3.38Å; N204-S207 PolarHBondContact O-N 2.93Å; N204-S207 VanDerWaalsContact O-N 3.1Å; N204-S207 PolarHBondContact O-OG 2.94Å; N204-L208 PolarHBondContact O-N 3.19Å |
| 205 | E | 78 | Confident | 76.7 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.1 | -51.4 | 174.4 | -171.7 | 175.2 | -165.2 | 0 | 0 | 110.6 | L201 S207 L208 D209 | L201-E205 WeakPolarHBondContact O-CB 3.11Å; L201-E205 PolarHBondContact O-N 3.37Å; E205-S207 VanDerWaalsContact C-N 3.28Å; E205-S207 PolarHBondContact O-N 3.2Å; E205-L208 WeakPolarHBondContact O-CB 3.43Å; E205-L208 PolarHBondContact O-N 3.07Å; E205-L208 VanDerWaalsContact O-N 3.09Å; E205-D209 PolarHBondContact O-N 2.81Å |
| 206 | K | 76.9 | Confident | 75.2 | Confident | 152 Ų | 152 | 98.9 Ų | 98.9 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -32.2 | 174.9 | -72.1 | 175.7 | -179.5 | -173.4 | 0 | 114.2 | T202 A203 N204 S210 | T202-K206 WeakPolarHBondContact O-CD 3.38Å; T202-K206 VanDerWaalsContact O-CG 3.27Å; T202-K206 WeakPolarHBondContact O-CG 3.48Å; T202-K206 PolarHBondContact O-N 3.19Å; A203-K206 PolarHBondContact O-N 2.9Å; N204-K206 PolarHBondContact O-N 3.33Å; K206-S210 VanDerWaalsContact O-CB 3.27Å; K206-S210 WeakPolarHBondContact O-CB 3.49Å; K206-S210 PolarHBondContact O-N 2.85Å |
| 207 | S | 75.5 | Confident | 73.4 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.4 | -34.5 | 175.6 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | A203 N204 E205 F211 | A203-S207 PolarHBondContact O-N 3.43Å; N204-S207 WeakPolarHBondContact CA-OG 3.38Å; N204-S207 PolarHBondContact O-N 2.93Å; N204-S207 VanDerWaalsContact O-N 3.1Å; N204-S207 PolarHBondContact O-OG 2.94Å; E205-S207 VanDerWaalsContact C-N 3.28Å; E205-S207 PolarHBondContact O-N 3.2Å; S207-F211 WeakPolarHBondContact O-CB 3.4Å; S207-F211 PolarHBondContact O-N 3.36Å |
| 208 | L | 73.5 | Confident | 71.6 | Confident | 114 Ų | 114 | 96.7 Ų | 96.7 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.5 | -45.5 | 173.6 | -90.7 | 156.4 | 0 | 0 | 0 | 111.2 | N204 E205 S210 F211 A212 | N204-L208 PolarHBondContact O-N 3.19Å; E205-L208 WeakPolarHBondContact O-CB 3.43Å; E205-L208 PolarHBondContact O-N 3.07Å; E205-L208 VanDerWaalsContact O-N 3.09Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-S210 PolarHBondContact O-N 3.18Å; L208-F211 PolarHBondContact O-N 3.07Å; L208-F211 VanDerWaalsContact O-N 3.16Å; L208-A212 WeakPolarHBondContact O-CB 3.41Å; L208-A212 PolarHBondContact O-N 3.35Å |
| 209 | D | 74.6 | Confident | 69.7 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 173.9 | -67.6 | -22.2 | 0 | 0 | 0 | 110.8 | E205 F211 A212 S213 | E205-D209 PolarHBondContact O-N 2.81Å; D209-F211 VanDerWaalsContact C-N 3.31Å; D209-F211 PolarHBondContact O-N 3.12Å; D209-A212 PolarHBondContact O-N 3.28Å; D209-S213 PolarHBondContact O-N 2.85Å; D209-S213 PolarHBondContact O-OG 3.17Å |
| 210 | S | 73.9 | Confident | 67.9 | Low | 64 Ų | 64 | 102.4 Ų | 102.4 | 45% | 0.448 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.7 | -30.5 | 177.3 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | K206 L208 S213 L214 | K206-S210 VanDerWaalsContact O-CB 3.27Å; K206-S210 WeakPolarHBondContact O-CB 3.49Å; K206-S210 PolarHBondContact O-N 2.85Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-S210 PolarHBondContact O-N 3.18Å; S210-S213 WeakPolarHBondContact CA-OG 3.49Å; S210-S213 PolarHBondContact O-OG 3.37Å; S210-L214 WeakPolarHBondContact O-CD1 3.3Å; S210-L214 VanDerWaalsContact O-CG 3.29Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 2.64Å |
| 211 | F | 72.3 | Confident | 65.7 | Low | 108 Ų | 108 | 101 Ų | 101 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -79.2 | -37.4 | 176.3 | -175.3 | -103.6 | 0 | 0 | 0 | 111.6 | S207 L208 D209 L214 R215 | S207-F211 WeakPolarHBondContact O-CB 3.4Å; S207-F211 PolarHBondContact O-N 3.36Å; L208-F211 PolarHBondContact O-N 3.07Å; L208-F211 VanDerWaalsContact O-N 3.16Å; D209-F211 VanDerWaalsContact C-N 3.31Å; D209-F211 PolarHBondContact O-N 3.12Å; F211-L214 PolarHBondContact O-N 3.1Å; F211-R215 PolarHBondContact O-N 3.37Å; F211-R215 VanDerWaalsContact O-N 3.08Å |
| 212 | A | 66.5 | Low | 63.5 | Low | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L208 D209 L214 R215 Y216 | L208-A212 WeakPolarHBondContact O-CB 3.41Å; L208-A212 PolarHBondContact O-N 3.35Å; D209-A212 PolarHBondContact O-N 3.28Å; A212-L214 VanDerWaalsContact C-N 3.26Å; A212-L214 PolarHBondContact O-N 3.05Å; A212-R215 PolarHBondContact O-N 3.43Å; A212-Y216 PolarHBondContact O-N 2.97Å |
| 213 | S | 70.6 | Confident | 61.3 | Low | 77 Ų | 77 | 110 Ų | 110 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.6 | -25.6 | 175.4 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | D209 S210 G217 | D209-S213 PolarHBondContact O-N 2.85Å; D209-S213 PolarHBondContact O-OG 3.17Å; S210-S213 WeakPolarHBondContact CA-OG 3.49Å; S210-S213 PolarHBondContact O-OG 3.37Å; S213-G217 PolarHBondContact O-N 3.06Å |
| 214 | L | 67.2 | Low | 58.8 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.5 | -47.4 | 173.9 | -75.7 | 166.8 | 0 | 0 | 0 | 111.1 | S210 F211 A212 Y216 G217 | S210-L214 WeakPolarHBondContact O-CD1 3.3Å; S210-L214 VanDerWaalsContact O-CG 3.29Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 2.64Å; F211-L214 PolarHBondContact O-N 3.1Å; A212-L214 VanDerWaalsContact C-N 3.26Å; A212-L214 PolarHBondContact O-N 3.05Å; L214-Y216 PolarHBondContact O-N 3.29Å; L214-G217 WeakPolarHBondContact O-CA 3.3Å; L214-G217 PolarHBondContact O-N 3.41Å |
| 215 | R | 58.7 | Low | 56.6 | Low | 160 Ų | 160 | 113.8 Ų | 113.8 | 60% | 0.604 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.7 | -42.4 | 176.8 | -81.8 | -171.4 | 176.7 | -179.3 | -1.5 | 113.6 | F211 A212 G217 E218 | F211-R215 PolarHBondContact O-N 3.37Å; F211-R215 VanDerWaalsContact O-N 3.08Å; A212-R215 PolarHBondContact O-N 3.43Å; R215-G217 PolarHBondContact O-N 2.92Å; R215-E218 PolarHBondContact O-N 2.88Å |
| 216 | Y | 49.5 | Very low | 54.5 | Low | 192 Ų | 192 | 115.1 Ų | 115.1 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.3 | -9.3 | 174.6 | -88.4 | -76.8 | 0 | 0 | 0 | 113.9 | A212 L214 | A212-Y216 PolarHBondContact O-N 2.97Å; L214-Y216 PolarHBondContact O-N 3.29Å |
| 217 | G | 48.5 | Very low | 52.4 | Low | 52 Ų | 52 | 115.8 Ų | 115.8 | 54% | 0.536 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -87.4 | -18.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S213 L214 R215 | S213-G217 PolarHBondContact O-N 3.06Å; L214-G217 WeakPolarHBondContact O-CA 3.3Å; L214-G217 PolarHBondContact O-N 3.41Å; R215-G217 PolarHBondContact O-N 2.92Å |
| 218 | E | 48.1 | Very low | 50.2 | Low | 150 Ų | 150 | 120.1 Ų | 120.1 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -89.2 | -35.3 | -178.7 | -71.1 | 177.6 | 109.2 | 0 | 0 | 112.3 | R215 A220 | R215-E218 PolarHBondContact O-N 2.88Å; E218-A220 PolarHBondContact O-N 3.34Å |
| 219 | D | 43.4 | Very low | 48.2 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 1.2 | 178.5 | -64 | -29.6 | 0 | 0 | 0 | 114.1 | ||
| 220 | A | 41.1 | Very low | 46.2 | Very low | 65 Ų | 65 | 124 Ų | 124 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | 0.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E218 D222 | E218-A220 PolarHBondContact O-N 3.34Å; A220-D222 VanDerWaalsContact C-N 3.34Å; A220-D222 PolarHBondContact O-N 3.12Å |
| 221 | S | 36.4 | Very low | 44.2 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -10.7 | -174.3 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 222 | D | 36.7 | Very low | 42.2 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 10.2 | -175.9 | -108.9 | -13.4 | 0 | 0 | 0 | 114.6 | A220 | A220-D222 VanDerWaalsContact C-N 3.34Å; A220-D222 PolarHBondContact O-N 3.12Å |
| 223 | Y | 34.2 | Very low | 40.5 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -117.7 | 22.9 | 173.7 | -104.8 | -86.2 | 0 | 0 | 0 | 114.1 | T225 | Y223-T225 PolarHBondContact O-N 3.37Å; Y223-T225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | S | 29.7 | Very low | 38.6 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 95 | 162.3 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 225 | T | 32.6 | Very low | 36.9 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.1 | -27.1 | 152.6 | -76.6 | 0 | 0 | 0 | 0 | 111.9 | Y223 | Y223-T225 PolarHBondContact O-N 3.37Å; Y223-T225 VanDerWaalsContact O-N 3.16Å |
| 226 | I | 34.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 143 Ų | 143 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -116.1 | 75 | -170.2 | -47.3 | 179.9 | 0 | 0 | 0 | 112.6 | ||
| 227 | L | 34 | Very low | 34.5 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -174.6 | 42.2 | 147.2 | -104.7 | 161.9 | 0 | 0 | 0 | 111.6 | F229 | L227-F229 PolarHBondContact O-N 3.38Š| ||
| 228 | D | 28.7 | Very low | 33.8 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -94.8 | 66.2 | 179.4 | -153 | 9.7 | 0 | 0 | 0 | 111.2 | ||||
| 229 | F | 31.7 | Very low | 32.9 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -155.2 | 142.1 | 164.5 | -144.2 | -106.5 | 0 | 0 | 0 | 111.9 | L227 | L227-F229 PolarHBondContact O-N 3.38Š| ||
| 230 | S | 31.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 54.8 | 85.8 | -177.6 | 68.4 | 0 | 0 | 0 | 0 | 117.6 | ||
| 231 | V | 33.2 | Very low | 31.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -177.6 | 99 | 98.1 | 157.9 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 232 | Q | 30.3 | Very low | 31.7 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -113.1 | 92.7 | -179.1 | -168 | -179.2 | 33.6 | 0 | 0 | 109.2 | ||||
| 233 | S | 30.7 | Very low | 31.4 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -175.2 | 143 | 154.7 | 21.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 234 | S | 29.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | 76.9 | 98.4 | 166.2 | -59.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 235 | E | 31.2 | Very low | 31.2 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | 66.3 | 96.3 | 128.3 | -61.5 | 172.1 | 143.8 | 0 | 0 | 117.4 | |||||
| 236 | R | 27.7 | Very low | 31.2 | Very low | 243 Ų | 243 | 151.2 Ų | 151.2 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | 38.6 | 89.6 | 65.6 | -69.6 | -169.7 | -179.7 | -177.5 | 2 | 115 | |||||
| 237 | Q | 31.5 | Very low | 31.2 | Very low | 126 Ų | 126 | 152 Ų | 152 | 59% | 0.589 | 79% | 0.786 | S | S | * | * | trans | -166.5 | 149.2 | 130.5 | -115.3 | 177.7 | -17.9 | 0 | 0 | 115.7 | R296 | Q237-R296 VanDerWaalsContact NE2-NH1 3.16Š| ||
| 238 | H | 32.7 | Very low | 31 | Very low | 164 Ų | 164 | 152 Ų | 152 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 66.5 | 84.4 | 163 | -77.2 | -71.9 | 0 | 0 | 0 | 121.4 | ||||
| 239 | S | 30.3 | Very low | 31.1 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -67.8 | 171.7 | 135.3 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 240 | N | 29.8 | Very low | 31 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | 68.8 | 109.9 | 177.1 | -74.1 | -18.7 | 0 | 0 | 0 | 118.3 | ||||
| 241 | G | 31.4 | Very low | 30.9 | Very low | 76 Ų | 76 | 156.3 Ų | 156.3 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 171.1 | -25.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R243 | G241-R243 PolarHBondContact O-N 3.49Š| ||
| 242 | Q | 33 | Very low | 30.9 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 9 | -158.2 | -118.1 | 161.7 | -48.2 | 0 | 0 | 117.9 | ||
| 243 | R | 31.2 | Very low | 31.1 | Very low | 236 Ų | 236 | 151 Ų | 151 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -15.2 | -177.6 | -87.7 | -175.1 | 175 | 178.7 | -0.4 | 116.6 | G241 | G241-R243 PolarHBondContact O-N 3.49Š|
| 244 | R | 29.1 | Very low | 31.5 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -91 | -14.1 | -175.8 | -99.3 | -179.6 | 174.9 | 168.8 | -1.1 | 116.7 | ||
| 245 | S | 31.3 | Very low | 32.3 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -84.6 | -15.5 | -178.8 | -156 | 0 | 0 | 0 | 0 | 113.8 | E247 | S245-E247 PolarHBondContact O-N 3.16Å |
| 246 | S | 32.8 | Very low | 33.4 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -73.1 | -23.3 | -174 | -48 | 0 | 0 | 0 | 0 | 114.8 | ||
| 247 | E | 33.1 | Very low | 34.7 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -96.2 | -31.3 | -172.5 | -79.2 | -177.2 | 130.2 | 0 | 0 | 114.2 | S245 L249 R250 | S245-E247 PolarHBondContact O-N 3.16Å; E247-L249 PolarHBondContact O-N 3.27Å; E247-R250 PolarHBondContact O-N 3.36Å |
| 248 | Q | 30.1 | Very low | 35.8 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.4 | -28.8 | 172.5 | -88 | 174.3 | -40.7 | 0 | 0 | 112.3 | R250 | Q248-R250 PolarHBondContact O-N 2.89Å |
| 249 | L | 30.8 | Very low | 37.1 | Very low | 143 Ų | 143 | 130 Ų | 130 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -6.9 | 178 | -144.1 | 76.1 | 0 | 0 | 0 | 114.4 | E247 | E247-L249 PolarHBondContact O-N 3.27Š|
| 250 | R | 29.1 | Very low | 38.3 | Very low | 204 Ų | 204 | 126 Ų | 126 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -16.4 | 178.2 | -79.1 | -174.7 | 170.8 | -174.7 | -1.8 | 114.5 | E247 Q248 | E247-R250 PolarHBondContact O-N 3.36Å; Q248-R250 PolarHBondContact O-N 2.89Å |
| 251 | K | 30.7 | Very low | 39.5 | Very low | 200 Ų | 200 | 119.8 Ų | 119.8 | 87% | 0.87 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -7.4 | -178.4 | -83.1 | -175.7 | 174.4 | 179 | 0 | 115.2 | S253 | K251-S253 VanDerWaalsContact C-N 3.33Å; K251-S253 PolarHBondContact O-N 3.49Å |
| 252 | T | 33.2 | Very low | 40.9 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 71% | 0.712 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 32.1 | 171.9 | 51.3 | 0 | 0 | 0 | 0 | 113 | S254 | T252-S254 PolarHBondContact O-N 3.14Š|
| 253 | S | 34.1 | Very low | 42.2 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 76% | 0.762 | 58% | 0.578 | S | S | * | * | trans | -79.9 | 42.5 | 179.7 | -159.4 | 0 | 0 | 0 | 0 | 114 | K251 | K251-S253 VanDerWaalsContact C-N 3.33Å; K251-S253 PolarHBondContact O-N 3.49Å | ||
| 254 | S | 38.6 | Very low | 43.4 | Very low | 103 Ų | 103 | 104.8 Ų | 104.8 | 72% | 0.72 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -134.3 | 99.8 | 177.3 | -76.9 | 0 | 0 | 0 | 0 | 111 | T252 | T252-S254 PolarHBondContact O-N 3.14Š|
| 255 | C | 47 | Very low | 44.8 | Very low | 44 Ų | 44 | 98 Ų | 98 | 30% | 0.297 | 52% | 0.521 | S | S | . | . | trans | 58.9 | 87.3 | 172.5 | -154.7 | 0 | 0 | 0 | 0 | 116.4 | V257 L258 F259 | C255-V257 PolarHBondContact O-N 3.26Å; C255-L258 HydrophobicContact CB-CB 3.85Å; C255-L258 WeakPolarHBondContact O-CB 3.34Å; C255-L258 PolarHBondContact O-N 2.86Å; C255-F259 PolarHBondContact O-N 3.35Å | ||
| 256 | P | 54.6 | Low | 46.2 | Very low | 64 Ų | 64 | 98.5 Ų | 98.5 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -11.9 | 173 | 27.3 | -36 | 0 | 0 | 0 | 113.8 | S260 | P256-S260 PolarHBondContact O-N 3.29Å; P256-S260 PolarHBondContact O-OG 2.85Å |
| 257 | V | 54.3 | Low | 47 | Very low | 15 Ų | 15 | 99.6 Ų | 99.6 | 9% | 0.091 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -78.1 | -41 | 170.9 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | L188 C255 F259 S260 I261 | L188-V257 HydrophobicContact CD2-CB 4.28Å; L188-V257 HydrophobicContact CD2-CG1 3.91Å; L188-V257 HydrophobicContact CD2-CG2 3.98Å; C255-V257 PolarHBondContact O-N 3.26Å; V257-F259 VanDerWaalsContact C-N 3.34Å; V257-F259 PolarHBondContact O-N 3.06Å; V257-S260 CarbonylContact O-C 3.59Å; V257-S260 WeakPolarHBondContact O-CA 3.35Å; V257-S260 WeakPolarHBondContact O-CB 3.28Å; V257-S260 PolarHBondContact O-N 3.04Å; V257-I261 HydrophobicContact CG1-CD1 3.93Å; V257-I261 HydrophobicContact CG1-CG1 4.4Å; V257-I261 WeakPolarHBondContact O-CG1 3.24Å; V257-I261 PolarHBondContact O-N 3.02Å |
| 258 | L | 54.9 | Low | 48 | Very low | 97 Ų | 97 | 95.5 Ų | 95.5 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 174 | -170 | 73.1 | 0 | 0 | 0 | 110.6 | C255 S260 I261 L262 | C255-L258 HydrophobicContact CB-CB 3.85Å; C255-L258 WeakPolarHBondContact O-CB 3.34Å; C255-L258 PolarHBondContact O-N 2.86Å; L258-S260 VanDerWaalsContact C-N 3.28Å; L258-S260 PolarHBondContact O-N 2.97Å; L258-I261 PolarHBondContact O-N 3.29Å; L258-L262 HydrophobicContact CG-CD1 4.05Å; L258-L262 WeakPolarHBondContact O-CB 3.19Å; L258-L262 VanDerWaalsContact O-CG 3.32Å; L258-L262 WeakPolarHBondContact O-CG 3.28Å; L258-L262 PolarHBondContact O-N 2.93Å |
| 259 | F | 59.6 | Low | 49 | Very low | 154 Ų | 154 | 91.5 Ų | 91.5 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.5 | -38.2 | 171.9 | -176.4 | -93.3 | 0 | 0 | 0 | 112.5 | C255 V257 S263 | C255-F259 PolarHBondContact O-N 3.35Å; V257-F259 VanDerWaalsContact C-N 3.34Å; V257-F259 PolarHBondContact O-N 3.06Å; F259-S263 WeakPolarHBondContact O-CB 3.41Å; F259-S263 PolarHBondContact O-N 3.23Å; F259-S263 PolarHBondContact O-OG 3.44Å |
| 260 | S | 55.6 | Low | 49.6 | Very low | 17 Ų | 17 | 87.7 Ų | 87.7 | 12% | 0.119 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | P256 V257 L258 S263 F264 | P256-S260 PolarHBondContact O-N 3.29Å; P256-S260 PolarHBondContact O-OG 2.85Å; V257-S260 CarbonylContact O-C 3.59Å; V257-S260 WeakPolarHBondContact O-CA 3.35Å; V257-S260 WeakPolarHBondContact O-CB 3.28Å; V257-S260 PolarHBondContact O-N 3.04Å; L258-S260 VanDerWaalsContact C-N 3.28Å; L258-S260 PolarHBondContact O-N 2.97Å; S260-S263 WeakPolarHBondContact CA-OG 3.28Å; S260-S263 PolarHBondContact O-N 3.16Å; S260-S263 PolarHBondContact O-OG 3.32Å; S260-F264 PolarHBondContact O-N 2.6Å |
| 261 | I | 55.6 | Low | 50.1 | Low | 31 Ų | 31 | 80.9 Ų | 80.9 | 16% | 0.159 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.8 | -49.5 | 176.1 | -69.5 | 167.3 | 0 | 0 | 0 | 110.4 | V257 L258 S263 F264 F265 | V257-I261 HydrophobicContact CG1-CD1 3.93Å; V257-I261 HydrophobicContact CG1-CG1 4.4Å; V257-I261 WeakPolarHBondContact O-CG1 3.24Å; V257-I261 PolarHBondContact O-N 3.02Å; L258-I261 PolarHBondContact O-N 3.29Å; I261-S263 VanDerWaalsContact C-N 3.32Å; I261-S263 PolarHBondContact O-N 3.09Å; I261-F264 WeakPolarHBondContact O-CB 3.29Å; I261-F264 PolarHBondContact O-N 2.99Å; I261-F264 VanDerWaalsContact O-N 3.08Å; I261-F265 HydrophobicContact CG2-CD2 3.73Å; I261-F265 HydrophobicContact CG2-CE2 3.47Å; I261-F265 VanDerWaalsContact CG2-CE2 3.47Å; I261-F265 VanDerWaalsContact O-CD2 3.28Å; I261-F265 WeakPolarHBondContact O-CD2 3.25Å; I261-F265 PolarHBondContact O-N 3.09Å |
| 262 | L | 61.1 | Low | 50.9 | Low | 88 Ų | 88 | 75 Ų | 75 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 175.6 | -68.9 | 170.2 | 0 | 0 | 0 | 111.8 | L258 F264 F265 N266 | L258-L262 HydrophobicContact CG-CD1 4.05Å; L258-L262 WeakPolarHBondContact O-CB 3.19Å; L258-L262 VanDerWaalsContact O-CG 3.32Å; L258-L262 WeakPolarHBondContact O-CG 3.28Å; L258-L262 PolarHBondContact O-N 2.93Å; L262-F264 VanDerWaalsContact C-N 3.28Å; L262-F264 PolarHBondContact O-N 3.3Å; L262-F265 PolarHBondContact O-N 3.38Å; L262-N266 WeakPolarHBondContact O-CB 3.37Å; L262-N266 VanDerWaalsContact O-CG 3.24Å; L262-N266 PolarHBondContact O-N 2.78Å; L262-N266 PolarHBondContact O-OD1 3.24Å |
| 263 | S | 59.3 | Low | 51.5 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.6 | -30.5 | 174.4 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | F259 S260 I261 W267 | F259-S263 WeakPolarHBondContact O-CB 3.41Å; F259-S263 PolarHBondContact O-N 3.23Å; F259-S263 PolarHBondContact O-OG 3.44Å; S260-S263 WeakPolarHBondContact CA-OG 3.28Å; S260-S263 PolarHBondContact O-N 3.16Å; S260-S263 PolarHBondContact O-OG 3.32Å; I261-S263 VanDerWaalsContact C-N 3.32Å; I261-S263 PolarHBondContact O-N 3.09Å; S263-W267 WeakPolarHBondContact O-CB 3.24Å; S263-W267 PolarHBondContact O-N 3.32Å |
| 264 | F | 57.2 | Low | 51.5 | Low | 41 Ų | 41 | 78 Ų | 78 | 18% | 0.18 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72 | -47 | 174.5 | -179.7 | -95.2 | 0 | 0 | 0 | 111 | S260 I261 L262 W267 T268 I381 I476 | S260-F264 PolarHBondContact O-N 2.6Å; I261-F264 WeakPolarHBondContact O-CB 3.29Å; I261-F264 PolarHBondContact O-N 2.99Å; I261-F264 VanDerWaalsContact O-N 3.08Å; L262-F264 VanDerWaalsContact C-N 3.28Å; L262-F264 PolarHBondContact O-N 3.3Å; F264-W267 HydrophobicContact CD2-CE3 4.17Å; F264-W267 HydrophobicContact CE2-CE3 4.14Å; F264-W267 HydrophobicContact CE2-CZ3 4.06Å; F264-W267 WeakPolarHBondContact O-CB 3.38Å; F264-W267 PolarHBondContact O-N 2.95Å; F264-T268 HydrophobicContact CE1-CG2 4.18Å; F264-T268 HydrophobicContact CZ-CG2 4.38Å; F264-T268 PolarHBondContact O-N 3.05Å; F264-I381 HydrophobicContact CB-CD1 4.18Å; F264-I381 HydrophobicContact CD1-CD1 4.38Å; F264-I381 HydrophobicContact CD1-CG1 4.48Å; F264-I381 HydrophobicContact CD1-CG2 3.78Å; F264-I381 HydrophobicContact CD2-CD1 3.91Å; F264-I381 HydrophobicContact CE1-CG2 3.5Å; F264-I381 HydrophobicContact CE2-CD1 4.41Å; F264-I381 HydrophobicContact CE2-CG2 4.38Å; F264-I381 HydrophobicContact CG-CD1 3.89Å; F264-I381 HydrophobicContact CG-CG1 4.42Å; F264-I381 HydrophobicContact CG-CG2 4.34Å; F264-I381 HydrophobicContact CZ-CG2 3.84Å; F264-I476 HydrophobicContact CZ-CG1 4.33Å |
| 265 | F | 58.9 | Low | 51.4 | Low | 87 Ų | 87 | 79.9 Ų | 79.9 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.2 | -74.9 | -63.7 | 0 | 0 | 0 | 112 | I261 L262 W267 T268 S269 I388 | I261-F265 HydrophobicContact CG2-CD2 3.73Å; I261-F265 HydrophobicContact CG2-CE2 3.47Å; I261-F265 VanDerWaalsContact CG2-CE2 3.47Å; I261-F265 VanDerWaalsContact O-CD2 3.28Å; I261-F265 WeakPolarHBondContact O-CD2 3.25Å; I261-F265 PolarHBondContact O-N 3.09Å; L262-F265 PolarHBondContact O-N 3.38Å; F265-W267 VanDerWaalsContact C-N 3.28Å; F265-W267 PolarHBondContact O-N 3.37Å; F265-T268 PolarHBondContact O-N 3.47Å; F265-T268 VanDerWaalsContact O-N 3.1Å; F265-T268 PolarHBondContact O-OG1 3.18Å; F265-S269 PolarHBondContact O-N 3.35Å; F265-S269 PolarHBondContact O-OG 3.33Å; F265-I388 HydrophobicContact CZ-CD1 3.91Å |
| 266 | N | 59.8 | Low | 51 | Low | 109 Ų | 109 | 82.3 Ų | 82.3 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.5 | -37.3 | 175.2 | -69.9 | -2.5 | 0 | 0 | 0 | 112.2 | L262 S269 S270 | L262-N266 WeakPolarHBondContact O-CB 3.37Å; L262-N266 VanDerWaalsContact O-CG 3.24Å; L262-N266 PolarHBondContact O-N 2.78Å; L262-N266 PolarHBondContact O-OD1 3.24Å; N266-S269 WeakPolarHBondContact O-CB 3.25Å; N266-S269 PolarHBondContact O-N 2.89Å; N266-S270 PolarHBondContact O-N 2.73Å; N266-S270 PolarHBondContact O-OG 3.21Å |
| 267 | W | 49.4 | Very low | 50 | Low | 99 Ų | 99 | 85.3 Ų | 85.3 | 38% | 0.375 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 175.5 | 177.6 | 66.8 | 0 | 0 | 0 | 112.8 | S263 F264 F265 S269 S270 M271 F479 | S263-W267 WeakPolarHBondContact O-CB 3.24Å; S263-W267 PolarHBondContact O-N 3.32Å; F264-W267 HydrophobicContact CD2-CE3 4.17Å; F264-W267 HydrophobicContact CE2-CE3 4.14Å; F264-W267 HydrophobicContact CE2-CZ3 4.06Å; F264-W267 WeakPolarHBondContact O-CB 3.38Å; F264-W267 PolarHBondContact O-N 2.95Å; F265-W267 VanDerWaalsContact C-N 3.28Å; F265-W267 PolarHBondContact O-N 3.37Å; W267-S269 VanDerWaalsContact C-N 3.31Å; W267-S269 PolarHBondContact O-N 3.49Å; W267-S270 PolarHBondContact O-N 2.98Å; W267-S270 VanDerWaalsContact O-N 3.17Å; W267-M271 HydrophobicContact CH2-SD 3.53Å; W267-M271 VanDerWaalsContact CH2-SD 3.53Å; W267-M271 HydrophobicContact CZ2-CG 4.1Å; W267-M271 HydrophobicContact CZ2-SD 3.49Å; W267-M271 WeakPolarHBondContact CZ2-SD 3.49Å; W267-M271 HydrophobicContact CZ3-SD 4.15Å; W267-M271 PolarHBondContact O-N 2.9Å; W267-M271 VanDerWaalsContact O-N 3.16Å; W267-F479 AromaticContact CH2-CD1 3.86Å; W267-F479 HydrophobicContact CH2-CD1 3.86Å; W267-F479 HydrophobicContact CH2-CD2 4.02Å; W267-F479 AromaticContact CH2-CE1 3.94Å; W267-F479 HydrophobicContact CH2-CE1 3.94Å; W267-F479 HydrophobicContact CH2-CE2 4.11Å; W267-F479 AromaticContact CH2-CG 3.92Å; W267-F479 HydrophobicContact CH2-CG 3.92Å; W267-F479 HydrophobicContact CH2-CZ 4.07Å; W267-F479 HydrophobicContact CZ2-CE1 4.5Å; W267-F479 HydrophobicContact CZ3-CD2 4.36Å; W267-F479 HydrophobicContact CZ3-CG 4.49Å |
| 268 | T | 55.2 | Low | 49.2 | Very low | 63 Ų | 63 | 96 Ų | 96 | 39% | 0.387 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 172.6 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | F264 F265 S270 M271 | F264-T268 HydrophobicContact CE1-CG2 4.18Å; F264-T268 HydrophobicContact CZ-CG2 4.38Å; F264-T268 PolarHBondContact O-N 3.05Å; F265-T268 PolarHBondContact O-N 3.47Å; F265-T268 VanDerWaalsContact O-N 3.1Å; F265-T268 PolarHBondContact O-OG1 3.18Å; T268-S270 VanDerWaalsContact C-N 3.29Å; T268-S270 PolarHBondContact O-N 3.26Å; T268-M271 PolarHBondContact O-N 3.45Å; T268-M271 VanDerWaalsContact O-N 3.15Å |
| 269 | S | 50.8 | Low | 48.2 | Very low | 82 Ų | 82 | 97.7 Ų | 97.7 | 57% | 0.573 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.7 | -24.7 | 173.5 | -51.5 | 0 | 0 | 0 | 0 | 113.8 | F265 N266 W267 S272 | F265-S269 PolarHBondContact O-N 3.35Å; F265-S269 PolarHBondContact O-OG 3.33Å; N266-S269 WeakPolarHBondContact O-CB 3.25Å; N266-S269 PolarHBondContact O-N 2.89Å; W267-S269 VanDerWaalsContact C-N 3.31Å; W267-S269 PolarHBondContact O-N 3.49Å; S269-S272 PolarHBondContact O-OG 3.41Å |
| 270 | S | 43.3 | Very low | 47.1 | Very low | 63 Ų | 63 | 97.9 Ų | 97.9 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -82.5 | -17 | 171.9 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | N266 W267 T268 | N266-S270 PolarHBondContact O-N 2.73Å; N266-S270 PolarHBondContact O-OG 3.21Å; W267-S270 PolarHBondContact O-N 2.98Å; W267-S270 VanDerWaalsContact O-N 3.17Å; T268-S270 VanDerWaalsContact C-N 3.29Å; T268-S270 PolarHBondContact O-N 3.26Å |
| 271 | M | 38.8 | Very low | 46.1 | Very low | 61 Ų | 61 | 107.7 Ų | 107.7 | 30% | 0.3 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -78.3 | -22.9 | 178.5 | -86 | -157.2 | 66.9 | 0 | 0 | 113.7 | W267 T268 E273 L274 L275 F479 | W267-M271 HydrophobicContact CH2-SD 3.53Å; W267-M271 VanDerWaalsContact CH2-SD 3.53Å; W267-M271 HydrophobicContact CZ2-CG 4.1Å; W267-M271 HydrophobicContact CZ2-SD 3.49Å; W267-M271 WeakPolarHBondContact CZ2-SD 3.49Å; W267-M271 HydrophobicContact CZ3-SD 4.15Å; W267-M271 PolarHBondContact O-N 2.9Å; W267-M271 VanDerWaalsContact O-N 3.16Å; T268-M271 PolarHBondContact O-N 3.45Å; T268-M271 VanDerWaalsContact O-N 3.15Å; M271-E273 VanDerWaalsContact C-N 3.31Å; M271-E273 PolarHBondContact O-N 3.05Å; M271-L274 PolarHBondContact O-N 3.11Å; M271-L275 PolarHBondContact O-N 3.35Å; M271-F479 HydrophobicContact SD-CZ 4.46Å |
| 272 | S | 46.7 | Very low | 45.1 | Very low | 77 Ų | 77 | 111.3 Ų | 111.3 | 54% | 0.538 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.7 | -32.2 | 173.9 | 45 | 0 | 0 | 0 | 0 | 112.5 | S269 | S269-S272 PolarHBondContact O-OG 3.41Å |
| 273 | E | 46.5 | Very low | 43.8 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.7 | -37.6 | 173.5 | -65 | -170.8 | 151.2 | 0 | 0 | 112.4 | M271 L275 T276 | M271-E273 VanDerWaalsContact C-N 3.31Å; M271-E273 PolarHBondContact O-N 3.05Å; E273-L275 PolarHBondContact O-N 2.92Å; E273-T276 PolarHBondContact O-N 3.12Å; E273-T276 PolarHBondContact O-OG1 3.28Å |
| 274 | L | 35.3 | Very low | 42.5 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.5 | -11.3 | -178.4 | -82.2 | 165.1 | 0 | 0 | 0 | 114.6 | M271 | M271-L274 PolarHBondContact O-N 3.11Å |
| 275 | L | 35.4 | Very low | 41.4 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -0.6 | 173.2 | -72.6 | 168.4 | 0 | 0 | 0 | 113.1 | M271 E273 | M271-L275 PolarHBondContact O-N 3.35Å; E273-L275 PolarHBondContact O-N 2.92Å |
| 276 | T | 38 | Very low | 40.2 | Very low | 94 Ų | 94 | 132 Ų | 132 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -81 | 124.3 | 170.1 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | E273 R278 | E273-T276 PolarHBondContact O-N 3.12Å; E273-T276 PolarHBondContact O-OG1 3.28Å; T276-R278 PolarHBondContact O-N 3.33Å |
| 277 | P | 34.3 | Very low | 39 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | trans | -77.4 | 89.9 | -178.2 | 30.2 | -33.7 | 0 | 0 | 0 | 110.2 | N279 | P277-N279 VanDerWaalsContact C-N 3.32Å; P277-N279 PolarHBondContact O-N 2.95Å | ||
| 278 | R | 37.7 | Very low | 38.3 | Very low | 240 Ų | 240 | 131.1 Ų | 131.1 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | trans | -71.1 | 89.1 | 176.6 | -163.4 | 170.3 | -172.1 | 159.8 | 2.3 | 111 | T276 N280 | T276-R278 PolarHBondContact O-N 3.33Å; R278-N280 PolarHBondContact O-N 3.26Å | ||
| 279 | N | 33.4 | Very low | 37.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -55.4 | 119.9 | 173.7 | -170.9 | 11.2 | 0 | 0 | 0 | 110.6 | P277 | P277-N279 VanDerWaalsContact C-N 3.32Å; P277-N279 PolarHBondContact O-N 2.95Å | ||
| 280 | N | 36.5 | Very low | 36.6 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -156.5 | 122.8 | 152.4 | -113.5 | -15.6 | 0 | 0 | 0 | 112.5 | R278 | R278-N280 PolarHBondContact O-N 3.26Š| ||
| 281 | R | 36.1 | Very low | 36.2 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -80.8 | 153.7 | -179.7 | -69.8 | 171.8 | 166.8 | 174.4 | -5.8 | 111.3 | ||||
| 282 | S | 33.9 | Very low | 35.9 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 54.5 | 109.1 | 141.6 | -165.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 283 | R | 34 | Very low | 35.3 | Very low | 245 Ų | 245 | 157.4 Ų | 157.4 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | -164.5 | 153.1 | 102 | -103.8 | 169.5 | 176.8 | 168.5 | -0.9 | 111.5 | |||||
| 284 | R | 32.1 | Very low | 34.6 | Very low | 240 Ų | 240 | 154.8 Ų | 154.8 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -125.4 | 156.2 | -171.4 | -144.1 | -179.4 | -168.9 | -179.3 | 2.6 | 109.5 | ||||
| 285 | S | 33.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 157.5 Ų | 157.5 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | 81.8 | 141.2 | 159.1 | 78.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 286 | S | 34.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 160 Ų | 160 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 69.1 | 117.8 | 144.4 | 49 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 287 | G | 34.1 | Very low | 34.1 | Very low | 85 Ų | 85 | 160.9 Ų | 160.9 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 167.3 | 118.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 288 | A | 35.2 | Very low | 34.1 | Very low | 103 Ų | 103 | 162.5 Ų | 162.5 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -79.7 | 158.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 289 | K | 35.2 | Very low | 33.9 | Very low | 207 Ų | 207 | 155.6 Ų | 155.6 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | 6.3 | 152.7 | 159.9 | -68.8 | -179.7 | 177.3 | 177.8 | 0 | 123.3 | ||||
| 290 | P | 34.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | -104.6 | 164.3 | -171 | 41.3 | -35.9 | 0 | 0 | 0 | 116.2 | ||||
| 291 | K | 35.5 | Very low | 33.5 | Very low | 207 Ų | 207 | 153.1 Ų | 153.1 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | trans | -146.6 | 148.1 | 158.3 | -79.1 | -166.5 | 178.1 | 179 | 0 | 113.7 | ||||
| 292 | S | 32.5 | Very low | 33.2 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -29.4 | 150.6 | 171 | 56 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 293 | R | 32.3 | Very low | 33.2 | Very low | 249 Ų | 249 | 151 Ų | 151 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | -178 | 155 | 103 | -162.7 | 163.5 | -175.4 | 161.1 | -0.4 | 110.9 | |||||
| 294 | A | 31.7 | Very low | 33.1 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -116.2 | 159.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 295 | Q | 35.6 | Very low | 33.1 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -151.7 | 145 | 171.8 | -143.8 | 158.8 | -33.5 | 0 | 0 | 110.5 | ||||
| 296 | R | 31.2 | Very low | 33 | Very low | 198 Ų | 198 | 141 Ų | 141 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -127.8 | 149.1 | -176.5 | -82.2 | -172.5 | -175.5 | -172.2 | -0.7 | 112.8 | Q237 | Q237-R296 VanDerWaalsContact NE2-NH1 3.16Š| ||
| 297 | S | 33.4 | Very low | 32.7 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -165 | 159.4 | 164.4 | 50.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 298 | L | 32.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | cis | -152 | -161.6 | -8.1 | -121.4 | 168.8 | 0 | 0 | 0 | 110.2 | ||||
| 299 | S | 33.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | -59.5 | 174.5 | 170.8 | 50 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 300 | A | 30.6 | Very low | 32.2 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | cis | -179.8 | -162.8 | -22.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 301 | V | 31.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | 101.4 | 134.2 | 166.9 | -172.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 302 | E | 30.3 | Very low | 31.5 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -114.6 | 172.8 | -167.2 | -60.3 | 168.5 | 108.4 | 0 | 0 | 113.1 | ||||
| 303 | T | 32.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | trans | 134.8 | 133.6 | 130.8 | 57.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 304 | N | 32.7 | Very low | 31.6 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 55.4 | 152.9 | 140.4 | -62.5 | 0.9 | 0 | 0 | 0 | 120.5 | ||||
| 305 | S | 30.9 | Very low | 31.6 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | cis | -164.9 | 168.5 | -14.7 | -100.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 306 | D | 31.7 | Very low | 31.5 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 65.8 | 113.1 | 147.7 | -58.7 | -26.1 | 0 | 0 | 0 | 124.2 | ||||
| 307 | S | 28.2 | Very low | 31.5 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | 33.9 | 128.5 | 132.5 | 69.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 308 | L | 29.9 | Very low | 31.6 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | -152.6 | 134 | 127.7 | -131.2 | 115.8 | 0 | 0 | 0 | 112.4 | |||||
| 309 | T | 29.7 | Very low | 31.4 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -103.5 | 139.5 | -179.5 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 310 | K | 34.9 | Very low | 31.4 | Very low | 209 Ų | 209 | 156 Ų | 156 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | 167.7 | 135.3 | 159.6 | -93.3 | 150.2 | -172.9 | 178.5 | 0 | 106.2 | ||||
| 311 | G | 27.9 | Very low | 31.5 | Very low | 80 Ų | 80 | 156.8 Ų | 156.8 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | cis | 139 | 96.3 | 5.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 312 | C | 28.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 90% | 0.899 | 82% | 0.823 | S | S | * | * | trans | -152.7 | 105 | 169.6 | -162.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 313 | K | 29.6 | Very low | 31.8 | Very low | 210 Ų | 210 | 151.4 Ų | 151.4 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | -102.1 | 136.6 | 167.9 | -75.9 | 178.5 | 176.5 | 173.7 | 0 | 108.3 | ||||
| 314 | S | 35.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -144.8 | 125.1 | 154.7 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 315 | N | 32.2 | Very low | 31.8 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -93.3 | 136.3 | -178.1 | -97.1 | -35.8 | 0 | 0 | 0 | 110.4 | ||||
| 316 | R | 33.1 | Very low | 32.1 | Very low | 241 Ų | 241 | 152.2 Ų | 152.2 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -157.2 | 113.6 | 138.4 | -127 | 171.2 | -178.9 | 173.8 | 1.1 | 113.3 | ||||
| 317 | K | 32.8 | Very low | 32 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -73.8 | 137.5 | 165.6 | -68.7 | 174.8 | 177.6 | 173.3 | 0 | 109.6 | ||||
| 318 | K | 34.8 | Very low | 32.1 | Very low | 205 Ų | 205 | 153.5 Ų | 153.5 | 89% | 0.891 | 84% | 0.842 | S | S | * | * | trans | -139.2 | 118.8 | 147.1 | -84.1 | -166.6 | 173.4 | -174.6 | 0 | 108.5 | ||||
| 319 | R | 27.7 | Very low | 32.3 | Very low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -81.2 | 147 | 165 | -88.8 | -178.9 | 167.7 | -177.7 | -4.1 | 108.4 | ||||
| 320 | L | 34.7 | Very low | 32.5 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -141.4 | 130.2 | 150.4 | -138.8 | 75.9 | 0 | 0 | 0 | 109.2 | ||||
| 321 | S | 32.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 155 Ų | 155 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | trans | -78.4 | 172.6 | 171.4 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 322 | S | 34.1 | Very low | 32.4 | Very low | 105 Ų | 105 | 157.8 Ų | 157.8 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | cis | -170.6 | 174.1 | 0.8 | 27.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 323 | A | 34.1 | Very low | 32.8 | Very low | 99 Ų | 99 | 157.4 Ų | 157.4 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | 80.2 | 148.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 324 | C | 31 | Very low | 32.7 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | cis | -148.6 | 142.5 | 7.9 | -157.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 325 | V | 34.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 153.9 Ų | 153.9 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -146.5 | 125.4 | 159.3 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 326 | P | 37 | Very low | 32.6 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | trans | -102.8 | 148.3 | 174.1 | 34.8 | -28 | 0 | 0 | 0 | 113 | ||||
| 327 | S | 29.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -147.6 | 164 | 168.3 | 66.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 328 | L | 30.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | 70.8 | 149.3 | 177.4 | -98.2 | 66.4 | 0 | 0 | 0 | 115.8 | ||||
| 329 | S | 33.4 | Very low | 32.3 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | cis | -156.1 | 159.6 | 6.1 | 87 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 330 | K | 33.4 | Very low | 32.6 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | 49.6 | 123.7 | 144.2 | -64.7 | 174 | 177.6 | -178.1 | 0 | 121.4 | ||||
| 331 | R | 31.5 | Very low | 32.5 | Very low | 254 Ų | 254 | 136.3 Ų | 136.3 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | -157.1 | 147.6 | 113.1 | -125.4 | 175.9 | -177 | 176.9 | 0.3 | 112.4 | |||||
| 332 | T | 29.5 | Very low | 32.7 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -107.8 | 141.2 | 179.3 | 41.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 333 | S | 36.2 | Very low | 32.4 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -158.5 | 129.3 | 158.3 | 49.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 334 | S | 28.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -94.8 | 145.7 | -176.6 | 49 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 335 | T | 34.6 | Very low | 32.5 | Very low | 149 Ų | 149 | 153 Ų | 153 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | -158.5 | 156.7 | 148.1 | 14.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 336 | T | 31.2 | Very low | 32.4 | Very low | 150 Ų | 150 | 155.5 Ų | 155.5 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | -104.4 | 169.5 | -165.3 | 42.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 337 | G | 33.2 | Very low | 32.1 | Very low | 65 Ų | 65 | 154.5 Ų | 154.5 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 129.7 | 97.7 | 177 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 338 | E | 29.1 | Very low | 32.5 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | 73.9 | 149.4 | 67.9 | -67 | -164.1 | 125.4 | 0 | 0 | 114.5 | |||||
| 339 | D | 33.1 | Very low | 32.4 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | 66.4 | 143.1 | -177.3 | -64 | -31 | 0 | 0 | 0 | 119 | ||||
| 340 | Q | 32.3 | Very low | 32.4 | Very low | 153 Ų | 153 | 157.9 Ų | 157.9 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | cis | -177.1 | 155.5 | -30.4 | -119.5 | -174.9 | 65.9 | 0 | 0 | 105.8 | ||||
| 341 | H | 33.2 | Very low | 32.4 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 73% | 0.731 | 81% | 0.813 | S | S | * | * | trans | 40.5 | 106.1 | 159.6 | -83 | -79.7 | 0 | 0 | 0 | 121.1 | ||||
| 342 | Q | 36.3 | Very low | 32.4 | Very low | 204 Ų | 204 | 151.2 Ų | 151.2 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | -154.7 | 116.3 | 121.7 | -112 | 167.2 | 30.2 | 0 | 0 | 112 | |||||
| 343 | R | 27.4 | Very low | 32.7 | Very low | 247 Ų | 247 | 149.2 Ų | 149.2 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -117.3 | 94.9 | -174.5 | -173.3 | -175.4 | -163.1 | 169.6 | 5.9 | 109.6 | ||||
| 344 | A | 36 | Very low | 32.7 | Very low | 85 Ų | 85 | 152.9 Ų | 152.9 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | trans | -150.8 | 115.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 345 | R | 31.4 | Very low | 33 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | 51.4 | 103.3 | 148 | -48.6 | 176.9 | -163 | -179.5 | 5.1 | 118.1 | ||||
| 346 | F | 34.1 | Very low | 32.9 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | -165.6 | 127.8 | 90.4 | -139.7 | -102 | 0 | 0 | 0 | 111 | |||||
| 347 | S | 31 | Very low | 33.4 | Very low | 98 Ų | 98 | 154.2 Ų | 154.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -97 | 118.3 | 171.9 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | S | 36.8 | Very low | 33.6 | Very low | 101 Ų | 101 | 158.6 Ų | 158.6 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -161.6 | 102.5 | 163.2 | -76.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 349 | Y | 27.8 | Very low | 34 | Very low | 204 Ų | 204 | 154 Ų | 154 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -61.5 | 170.9 | 164.1 | -75.3 | -83.5 | 0 | 0 | 0 | 111 | ||||
| 350 | P | 33.9 | Very low | 34.2 | Very low | 124 Ų | 124 | 159.4 Ų | 159.4 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | cis | -142.1 | 172.1 | 25.4 | 40.3 | -19.5 | 0 | 0 | 0 | 119.1 | ||||
| 351 | T | 32.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 162.3 Ų | 162.3 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -77 | 148.6 | 173.4 | 37.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 352 | M | 32.8 | Very low | 34.9 | Very low | 191 Ų | 191 | 162.4 Ų | 162.4 | 94% | 0.941 | 81% | 0.806 | S | S | * | * | trans | 44.6 | 106.2 | 158.7 | -57.2 | -161.4 | 84.2 | 0 | 0 | 120.1 | ||||
| 353 | A | 35 | Very low | 35.4 | Very low | 97 Ų | 97 | 159.9 Ų | 159.9 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -150.3 | 122 | 153 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 354 | K | 35.7 | Very low | 36.5 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 46.8 | 107.7 | 148.1 | -66.6 | 177.8 | 176.4 | 175.1 | 0 | 120.8 | D356 | K354-D356 PolarHBondContact O-N 3.42Š| ||
| 355 | H | 34.5 | Very low | 37.7 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | 61 | 54.8 | 125.5 | -155.1 | -68.3 | 0 | 0 | 0 | 117.9 | S357 | H355-S357 PolarHBondContact O-N 2.61Å; H355-S357 VanDerWaalsContact O-N 3.1Å | |||
| 356 | D | 34.1 | Very low | 39.3 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 106.2 | 167.7 | -100.2 | -33.8 | 0 | 0 | 0 | 111.9 | K354 I358 | K354-D356 PolarHBondContact O-N 3.42Å; D356-I358 PolarHBondContact O-N 3.02Å | ||
| 357 | S | 40.6 | Very low | 41.1 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.5 | 173.9 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | H355 | H355-S357 PolarHBondContact O-N 2.61Å; H355-S357 VanDerWaalsContact O-N 3.1Å |
| 358 | I | 36.8 | Very low | 43.1 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121 | 176.9 | -60.7 | 171 | 0 | 0 | 0 | 109.9 | D356 R360 | D356-I358 PolarHBondContact O-N 3.02Å; I358-R360 PolarHBondContact O-N 2.9Å |
| 359 | P | 37.4 | Very low | 44.8 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 59% | 0.591 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123.1 | -175.8 | 25.2 | -33.1 | 0 | 0 | 0 | 110.8 | R361 | P359-R361 PolarHBondContact O-N 3.22Š|
| 360 | R | 37.7 | Very low | 47 | Very low | 252 Ų | 252 | 132.3 Ų | 132.3 | 95% | 0.951 | 70% | 0.696 | S | S | * | * | trans | -63.5 | 67.3 | -179.6 | -67.2 | -172.3 | 179.3 | -157.6 | 1.3 | 113.6 | I358 H362 | I358-R360 PolarHBondContact O-N 2.9Å; R360-H362 VanDerWaalsContact C-N 3.32Å; R360-H362 PolarHBondContact O-N 3.35Å | ||
| 361 | R | 37.8 | Very low | 49 | Very low | 213 Ų | 213 | 134 Ų | 134 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 2.7 | -169.4 | -111.2 | 177.2 | 178.1 | 164.5 | 0.7 | 116.3 | P359 | P359-R361 PolarHBondContact O-N 3.22Š|
| 362 | H | 42.3 | Very low | 51.1 | Low | 161 Ų | 161 | 131.2 Ų | 131.2 | 75% | 0.745 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -2.8 | -169 | -82 | -81.6 | 0 | 0 | 0 | 118.1 | R360 F364 P365 | R360-H362 VanDerWaalsContact C-N 3.32Å; R360-H362 PolarHBondContact O-N 3.35Å; H362-F364 PolarHBondContact O-N 3.46Å; H362-P365 WeakPolarHBondContact O-CD 3.47Å |
| 363 | L | 47.3 | Very low | 53.4 | Low | 150 Ų | 150 | 126.8 Ų | 126.8 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | trans | -83.1 | 33.7 | 179.4 | -153.6 | 73.6 | 0 | 0 | 0 | 114.8 | ||||
| 364 | F | 50.4 | Low | 55.6 | Low | 178 Ų | 178 | 128.7 Ų | 128.7 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -97.1 | -18.8 | 178.1 | -123.2 | -96 | 0 | 0 | 0 | 117.3 | H362 | H362-F364 PolarHBondContact O-N 3.46Š|
| 365 | P | 60.9 | Low | 57.8 | Low | 76 Ų | 76 | 121.1 Ų | 121.1 | 49% | 0.494 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72 | -46.1 | 177.6 | -19.6 | 31.7 | 0 | 0 | 0 | 114 | H362 T367 L368 L369 | H362-P365 WeakPolarHBondContact O-CD 3.47Å; P365-T367 PolarHBondContact O-N 3.14Å; P365-L368 PolarHBondContact O-N 3.03Å; P365-L369 HydrophobicContact CB-CD1 3.87Å; P365-L369 WeakPolarHBondContact O-CB 3.26Å; P365-L369 WeakPolarHBondContact O-CD1 3Å; P365-L369 WeakPolarHBondContact O-CG 3.17Å; P365-L369 PolarHBondContact O-N 3.27Å |
| 366 | A | 66.2 | Low | 60.1 | Low | 59 Ų | 59 | 113.2 Ų | 113.2 | 49% | 0.488 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -41 | -160.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A370 | A366-A370 VanDerWaalsContact O-CB 3.27Å; A366-A370 WeakPolarHBondContact O-CB 3.28Å; A366-A370 PolarHBondContact O-N 2.98Å |
| 367 | T | 71.1 | Confident | 62.5 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.1 | -34 | -177.5 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | P365 K371 | P365-T367 PolarHBondContact O-N 3.14Å; T367-K371 WeakPolarHBondContact O-CG 3.32Å; T367-K371 PolarHBondContact O-N 3.33Å |
| 368 | L | 73.2 | Confident | 64.7 | Low | 90 Ų | 90 | 103 Ų | 103 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.4 | -48.2 | 175.5 | -175.8 | 140.6 | 0 | 0 | 0 | 110.6 | P365 A370 K371 E372 | P365-L368 PolarHBondContact O-N 3.03Å; L368-A370 VanDerWaalsContact C-N 3.28Å; L368-A370 PolarHBondContact O-N 3.41Å; L368-K371 WeakPolarHBondContact O-CA 3.44Å; L368-K371 WeakPolarHBondContact O-CB 3.39Å; L368-K371 PolarHBondContact O-N 3.46Å; L368-E372 HydrophobicContact CD2-CG 4.19Å; L368-E372 WeakPolarHBondContact CD2-OE1 3.24Å; L368-E372 PolarHBondContact O-N 2.88Å |
| 369 | L | 71.5 | Confident | 67 | Low | 41 Ų | 41 | 96.4 Ų | 96.4 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 175.1 | -76.2 | 157.2 | 0 | 0 | 0 | 112.6 | I198 P365 K371 E372 R373 | I198-L369 HydrophobicContact CD1-CD1 3.44Å; I198-L369 VanDerWaalsContact CD1-CD1 3.44Å; I198-L369 HydrophobicContact CD1-CD2 4.22Å; I198-L369 HydrophobicContact CD1-CG 4.33Å; I198-L369 HydrophobicContact CG1-CD1 4.17Å; P365-L369 HydrophobicContact CB-CD1 3.87Å; P365-L369 WeakPolarHBondContact O-CB 3.26Å; P365-L369 WeakPolarHBondContact O-CD1 3Å; P365-L369 WeakPolarHBondContact O-CG 3.17Å; P365-L369 PolarHBondContact O-N 3.27Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-E372 PolarHBondContact O-N 2.67Å; L369-R373 VanDerWaalsContact O-CB 3.28Å; L369-R373 WeakPolarHBondContact O-CB 3.27Å; L369-R373 PolarHBondContact O-N 3.04Å |
| 370 | A | 74.3 | Confident | 69.4 | Low | 48 Ų | 48 | 92.5 Ų | 92.5 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A366 L368 K374 | A366-A370 VanDerWaalsContact O-CB 3.27Å; A366-A370 WeakPolarHBondContact O-CB 3.28Å; A366-A370 PolarHBondContact O-N 2.98Å; L368-A370 VanDerWaalsContact C-N 3.28Å; L368-A370 PolarHBondContact O-N 3.41Å; A370-K374 WeakPolarHBondContact O-CG 3.48Å; A370-K374 PolarHBondContact O-N 3.05Å |
| 371 | K | 76.7 | Confident | 71.9 | Confident | 160 Ų | 160 | 81.2 Ų | 81.2 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.6 | -46.5 | 172.5 | -72.6 | 174.5 | 179.9 | 179.3 | 0 | 111.3 | T367 L368 L369 K374 A375 | T367-K371 WeakPolarHBondContact O-CG 3.32Å; T367-K371 PolarHBondContact O-N 3.33Å; L368-K371 WeakPolarHBondContact O-CA 3.44Å; L368-K371 WeakPolarHBondContact O-CB 3.39Å; L368-K371 PolarHBondContact O-N 3.46Å; L369-K371 VanDerWaalsContact C-N 3.35Å; K371-K374 PolarHBondContact O-N 3.27Å; K371-A375 PolarHBondContact O-N 3.1Å |
| 372 | E | 76.9 | Confident | 74.5 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 29% | 0.29 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 176 | -70.4 | -174 | 163.9 | 0 | 0 | 111.3 | R194 L368 L369 K374 A375 I376 | R194-E372 IonicContact NH1-OE2 3.85Å; L368-E372 HydrophobicContact CD2-CG 4.19Å; L368-E372 WeakPolarHBondContact CD2-OE1 3.24Å; L368-E372 PolarHBondContact O-N 2.88Å; L369-E372 PolarHBondContact O-N 2.67Å; E372-K374 VanDerWaalsContact C-N 3.29Å; E372-K374 PolarHBondContact O-N 3.07Å; E372-A375 PolarHBondContact O-N 3.43Å; E372-A375 VanDerWaalsContact O-N 3.15Å; E372-I376 HydrophobicContact CB-CD1 4.4Å; E372-I376 WeakPolarHBondContact O-CD1 3.27Å; E372-I376 WeakPolarHBondContact O-CG1 3.43Å; E372-I376 PolarHBondContact O-N 2.89Å |
| 373 | R | 80.4 | Confident | 76.8 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.7 | -43.2 | 177.4 | 179.4 | 179 | 170.6 | -164.5 | -5.4 | 112 | L369 I376 I377 | L369-R373 VanDerWaalsContact O-CB 3.28Å; L369-R373 WeakPolarHBondContact O-CB 3.27Å; L369-R373 PolarHBondContact O-N 3.04Å; R373-I376 PolarHBondContact O-N 3.45Å; R373-I377 HydrophobicContact CG-CD1 3.8Å; R373-I377 HydrophobicContact CG-CG1 4.45Å; R373-I377 VanDerWaalsContact O-CG1 3.29Å; R373-I377 WeakPolarHBondContact O-CG1 3.4Å; R373-I377 PolarHBondContact O-N 3.11Å |
| 374 | K | 81.8 | Confident | 78.9 | Confident | 136 Ų | 136 | 58.4 Ų | 58.4 | 59% | 0.591 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.2 | -45.3 | 177.9 | -76.1 | 176.7 | -179.2 | -175.2 | 0 | 112 | A370 K371 E372 I376 I377 T378 | A370-K374 WeakPolarHBondContact O-CG 3.48Å; A370-K374 PolarHBondContact O-N 3.05Å; K371-K374 PolarHBondContact O-N 3.27Å; E372-K374 VanDerWaalsContact C-N 3.29Å; E372-K374 PolarHBondContact O-N 3.07Å; K374-I376 VanDerWaalsContact C-N 3.26Å; K374-I376 PolarHBondContact O-N 3.4Å; K374-I377 PolarHBondContact O-N 3.4Å; K374-T378 PolarHBondContact O-N 3.48Å; K374-T378 PolarHBondContact O-OG1 2.93Å |
| 375 | A | 81.8 | Confident | 81 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K371 E372 T378 I379 | K371-A375 PolarHBondContact O-N 3.1Å; E372-A375 PolarHBondContact O-N 3.43Å; E372-A375 VanDerWaalsContact O-N 3.15Å; A375-T378 WeakPolarHBondContact O-CB 3.44Å; A375-T378 PolarHBondContact O-N 3.05Å; A375-I379 WeakPolarHBondContact O-CG1 3.37Å; A375-I379 PolarHBondContact O-N 3.15Å |
| 376 | I | 83.6 | Confident | 82.6 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.4 | -42.6 | 179.6 | -60 | 145.9 | 0 | 0 | 0 | 111.7 | I108 I187 I191 E372 R373 K374 T378 I379 C380 | I108-I376 HydrophobicContact CD1-CD1 3.53Å; I108-I376 HydrophobicContact CD1-CG1 3.93Å; I108-I376 HydrophobicContact CG1-CD1 4.33Å; I187-I376 HydrophobicContact CG2-CG2 3.81Å; I191-I376 HydrophobicContact CD1-CB 4.12Å; I191-I376 HydrophobicContact CD1-CD1 3.6Å; I191-I376 HydrophobicContact CD1-CG1 4.2Å; I191-I376 HydrophobicContact CD1-CG2 3.55Å; I191-I376 HydrophobicContact CG1-CD1 4.07Å; E372-I376 HydrophobicContact CB-CD1 4.4Å; E372-I376 WeakPolarHBondContact O-CD1 3.27Å; E372-I376 WeakPolarHBondContact O-CG1 3.43Å; E372-I376 PolarHBondContact O-N 2.89Å; R373-I376 PolarHBondContact O-N 3.45Å; K374-I376 VanDerWaalsContact C-N 3.26Å; K374-I376 PolarHBondContact O-N 3.4Å; I376-T378 VanDerWaalsContact C-N 3.26Å; I376-T378 PolarHBondContact O-N 2.93Å; I376-I379 PolarHBondContact O-N 3.23Å; I376-I379 VanDerWaalsContact O-N 3.08Å; I376-C380 PolarHBondContact O-N 3.37Å; I376-C380 PolarHBondContact O-SG 2.9Å; I376-C380 VanDerWaalsContact O-SG 3.4Å |
| 377 | I | 84.6 | Confident | 84 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.8 | -43.6 | 174.7 | -71.4 | 166.4 | 0 | 0 | 0 | 110.6 | R373 K374 I379 C380 I381 | R373-I377 HydrophobicContact CG-CD1 3.8Å; R373-I377 HydrophobicContact CG-CG1 4.45Å; R373-I377 VanDerWaalsContact O-CG1 3.29Å; R373-I377 WeakPolarHBondContact O-CG1 3.4Å; R373-I377 PolarHBondContact O-N 3.11Å; K374-I377 PolarHBondContact O-N 3.4Å; I377-I379 VanDerWaalsContact C-N 3.28Å; I377-I379 PolarHBondContact O-N 2.85Å; I377-C380 PolarHBondContact O-N 2.84Å; I377-I381 HydrophobicContact CG2-CD1 3.82Å; I377-I381 HydrophobicContact CG2-CG1 4.47Å; I377-I381 VanDerWaalsContact O-CG1 3.32Å; I377-I381 WeakPolarHBondContact O-CG1 3.49Å; I377-I381 PolarHBondContact O-N 2.96Å |
| 378 | T | 86.5 | Confident | 85.2 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -52.9 | -47.7 | 175.4 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | K374 A375 I376 I381 V382 I476 Y477 C480 | K374-T378 PolarHBondContact O-N 3.48Å; K374-T378 PolarHBondContact O-OG1 2.93Å; A375-T378 WeakPolarHBondContact O-CB 3.44Å; A375-T378 PolarHBondContact O-N 3.05Å; I376-T378 VanDerWaalsContact C-N 3.26Å; I376-T378 PolarHBondContact O-N 2.93Å; T378-I381 PolarHBondContact O-N 3.2Å; T378-V382 WeakPolarHBondContact O-CG2 3.38Å; T378-V382 PolarHBondContact O-N 2.82Å; T378-I476 HydrophobicContact CG2-CG2 3.49Å; T378-I476 VanDerWaalsContact CG2-CG2 3.49Å; T378-Y477 HydrophobicContact CG2-CD1 4.25Å; T378-Y477 HydrophobicContact CG2-CE1 4.33Å; T378-C480 HydrophobicContact CG2-CB 3.69Å; T378-C480 VanDerWaalsContact OG1-CB 3.32Å; T378-C480 WeakPolarHBondContact OG1-CB 3.26Å |
| 379 | I | 84.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.9 | -36.5 | -176.8 | -62.3 | 168 | 0 | 0 | 0 | 111.4 | I100 R104 Y184 A375 I376 I377 I381 V382 V383 | I100-I379 HydrophobicContact CG2-CD1 4.05Å; I100-I379 HydrophobicContact CG2-CG2 4.15Å; R104-I379 HydrophobicContact CG-CD1 3.57Å; Y184-I379 HydrophobicContact CE1-CG2 3.52Å; Y184-I379 WeakPolarHBondContact OH-CG2 3.4Å; A375-I379 WeakPolarHBondContact O-CG1 3.37Å; A375-I379 PolarHBondContact O-N 3.15Å; I376-I379 PolarHBondContact O-N 3.23Å; I376-I379 VanDerWaalsContact O-N 3.08Å; I377-I379 VanDerWaalsContact C-N 3.28Å; I377-I379 PolarHBondContact O-N 2.85Å; I379-I381 VanDerWaalsContact C-N 3.29Å; I379-I381 PolarHBondContact O-N 3Å; I379-V382 PolarHBondContact O-N 3.27Å; I379-V383 HydrophobicContact CG2-CG2 4.28Å; I379-V383 WeakPolarHBondContact O-CB 3.3Å; I379-V383 WeakPolarHBondContact O-CG2 3.42Å; I379-V383 PolarHBondContact O-N 3.12Å |
| 380 | C | 88.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 171.6 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | I376 I377 V383 S384 | I376-C380 PolarHBondContact O-N 3.37Å; I376-C380 PolarHBondContact O-SG 2.9Å; I376-C380 VanDerWaalsContact O-SG 3.4Å; I377-C380 PolarHBondContact O-N 2.84Å; C380-V383 PolarHBondContact O-N 2.98Å; C380-S384 WeakPolarHBondContact O-CB 3.45Å; C380-S384 PolarHBondContact O-N 3.29Å; C380-S384 PolarHBondContact O-OG 3.38Å; C380-S384 VanDerWaalsContact O-OG 3.05Å |
| 381 | I | 90.2 | Very high | 88.6 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 175.4 | -64.8 | 162.9 | 0 | 0 | 0 | 110.6 | F264 I377 T378 I379 V383 S384 G385 I476 | F264-I381 HydrophobicContact CB-CD1 4.18Å; F264-I381 HydrophobicContact CD1-CD1 4.38Å; F264-I381 HydrophobicContact CD1-CG1 4.48Å; F264-I381 HydrophobicContact CD1-CG2 3.78Å; F264-I381 HydrophobicContact CD2-CD1 3.91Å; F264-I381 HydrophobicContact CE1-CG2 3.5Å; F264-I381 HydrophobicContact CE2-CD1 4.41Å; F264-I381 HydrophobicContact CE2-CG2 4.38Å; F264-I381 HydrophobicContact CG-CD1 3.89Å; F264-I381 HydrophobicContact CG-CG1 4.42Å; F264-I381 HydrophobicContact CG-CG2 4.34Å; F264-I381 HydrophobicContact CZ-CG2 3.84Å; I377-I381 HydrophobicContact CG2-CD1 3.82Å; I377-I381 HydrophobicContact CG2-CG1 4.47Å; I377-I381 VanDerWaalsContact O-CG1 3.32Å; I377-I381 WeakPolarHBondContact O-CG1 3.49Å; I377-I381 PolarHBondContact O-N 2.96Å; T378-I381 PolarHBondContact O-N 3.2Å; I379-I381 VanDerWaalsContact C-N 3.29Å; I379-I381 PolarHBondContact O-N 3Å; I381-V383 VanDerWaalsContact C-N 3.33Å; I381-V383 PolarHBondContact O-N 3Å; I381-S384 PolarHBondContact O-N 2.92Å; I381-G385 PolarHBondContact O-N 3.41Å; I381-I476 HydrophobicContact CG2-CD1 3.79Å; I381-I476 HydrophobicContact CG2-CG1 4.08Å |
| 382 | V | 90.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.1 | -48 | 175 | 165.7 | 0 | 0 | 0 | 0 | 111.4 | L97 T378 I379 G385 F386 N473 I476 Y477 | L97-V382 HydrophobicContact CD2-CG1 3.48Å; L97-V382 VanDerWaalsContact CD2-CG1 3.48Å; T378-V382 WeakPolarHBondContact O-CG2 3.38Å; T378-V382 PolarHBondContact O-N 2.82Å; I379-V382 PolarHBondContact O-N 3.27Å; V382-G385 PolarHBondContact O-N 2.98Å; V382-F386 PolarHBondContact O-N 3.17Å; V382-N473 VanDerWaalsContact CG1-OD1 3.29Å; V382-N473 WeakPolarHBondContact CG1-OD1 3.19Å; V382-I476 HydrophobicContact CG2-CB 4.3Å; V382-I476 HydrophobicContact CG2-CD1 3.77Å; V382-I476 HydrophobicContact CG2-CG2 3.86Å; V382-Y477 HydrophobicContact CG2-CE1 4.38Å |
| 383 | V | 91.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | -179.9 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | M180 Y184 I379 C380 I381 G385 F386 V387 | M180-V383 HydrophobicContact CE-CG1 3.9Å; M180-V383 HydrophobicContact CG-CG1 4.24Å; M180-V383 HydrophobicContact SD-CG1 3.88Å; M180-V383 HydrophobicContact SD-CG2 4.12Å; Y184-V383 HydrophobicContact CD2-CB 4.46Å; Y184-V383 HydrophobicContact CD2-CG1 3.94Å; Y184-V383 HydrophobicContact CD2-CG2 3.87Å; Y184-V383 HydrophobicContact CE1-CG2 4.11Å; Y184-V383 HydrophobicContact CE2-CB 4.34Å; Y184-V383 HydrophobicContact CE2-CG1 4.19Å; Y184-V383 HydrophobicContact CE2-CG2 3.31Å; Y184-V383 VanDerWaalsContact CZ-CG2 3.46Å; I379-V383 HydrophobicContact CG2-CG2 4.28Å; I379-V383 WeakPolarHBondContact O-CB 3.3Å; I379-V383 WeakPolarHBondContact O-CG2 3.42Å; I379-V383 PolarHBondContact O-N 3.12Å; C380-V383 PolarHBondContact O-N 2.98Å; I381-V383 VanDerWaalsContact C-N 3.33Å; I381-V383 PolarHBondContact O-N 3Å; V383-G385 VanDerWaalsContact C-N 3.31Å; V383-G385 PolarHBondContact O-N 3.49Å; V383-F386 PolarHBondContact O-N 2.86Å; V383-V387 WeakPolarHBondContact O-CG2 3.41Å; V383-V387 PolarHBondContact O-N 3.03Å |
| 384 | S | 91.7 | Very high | 91.1 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 176 | -66 | 0 | 0 | 0 | 0 | 111.8 | C380 I381 V387 I388 | C380-S384 WeakPolarHBondContact O-CB 3.45Å; C380-S384 PolarHBondContact O-N 3.29Å; C380-S384 PolarHBondContact O-OG 3.38Å; C380-S384 VanDerWaalsContact O-OG 3.05Å; I381-S384 PolarHBondContact O-N 2.92Å; S384-V387 PolarHBondContact O-N 3.36Å; S384-I388 WeakPolarHBondContact O-CB 3.47Å; S384-I388 WeakPolarHBondContact O-CD1 3.28Å; S384-I388 VanDerWaalsContact O-CG1 3.24Å; S384-I388 WeakPolarHBondContact O-CG1 3.1Å; S384-I388 PolarHBondContact O-N 3.11Å |
| 385 | G | 93.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.9 | -51.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I381 V382 V383 V387 I388 C389 | I381-G385 PolarHBondContact O-N 3.41Å; V382-G385 PolarHBondContact O-N 2.98Å; V383-G385 VanDerWaalsContact C-N 3.31Å; V383-G385 PolarHBondContact O-N 3.49Å; G385-V387 VanDerWaalsContact C-N 3.35Å; G385-V387 PolarHBondContact O-N 3.48Å; G385-I388 PolarHBondContact O-N 3.33Å; G385-C389 VanDerWaalsContact O-CB 3.25Å; G385-C389 WeakPolarHBondContact O-CB 3.46Å; G385-C389 PolarHBondContact O-N 2.87Å; G385-C389 PolarHBondContact O-SG 3.4Å; G385-C389 VanDerWaalsContact O-SG 3.41Å |
| 386 | F | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.8 | -47.2 | 178.4 | -168.6 | -79.6 | 0 | 0 | 0 | 112.6 | I94 L97 F173 V382 V383 C389 W390 N469 | I94-F386 HydrophobicContact CB-CE1 3.73Å; I94-F386 HydrophobicContact CB-CE2 4.37Å; I94-F386 HydrophobicContact CB-CZ 3.63Å; I94-F386 HydrophobicContact CD1-CD1 4.22Å; I94-F386 HydrophobicContact CD1-CE1 3.7Å; I94-F386 HydrophobicContact CD1-CZ 4.47Å; I94-F386 HydrophobicContact CG1-CD1 4.43Å; I94-F386 HydrophobicContact CG1-CE1 3.95Å; I94-F386 HydrophobicContact CG1-CZ 4.35Å; L97-F386 HydrophobicContact CD1-CB 3.68Å; L97-F386 HydrophobicContact CD1-CD1 4.34Å; L97-F386 HydrophobicContact CD1-CD2 3.47Å; L97-F386 VanDerWaalsContact CD1-CD2 3.47Å; L97-F386 HydrophobicContact CD1-CE2 4.24Å; L97-F386 HydrophobicContact CD1-CG 3.54Å; F173-F386 HydrophobicContact CD2-CE1 4.12Å; F173-F386 HydrophobicContact CE2-CD1 4.38Å; F173-F386 AromaticContact CE2-CE1 3.87Å; F173-F386 HydrophobicContact CE2-CE1 3.87Å; V382-F386 PolarHBondContact O-N 3.17Å; V383-F386 PolarHBondContact O-N 2.86Å; F386-C389 PolarHBondContact O-N 2.96Å; F386-W390 HydrophobicContact CD1-CB 4.45Å; F386-W390 AromaticContact CD1-CD1 3.97Å; F386-W390 AromaticContact CD2-CD1 3.77Å; F386-W390 HydrophobicContact CE1-CB 4.03Å; F386-W390 AromaticContact CE1-CD1 3.64Å; F386-W390 AromaticContact CE1-CG 3.99Å; F386-W390 HydrophobicContact CE1-CG 3.99Å; F386-W390 AromaticContact CE2-CD1 3.46Å; F386-W390 VanDerWaalsContact CE2-CD1 3.46Å; F386-W390 HydrophobicContact CE2-CG 4.41Å; F386-W390 AromaticContact CE2-NE1 3.65Å; F386-W390 HydrophobicContact CZ-CB 4.44Å; F386-W390 AromaticContact CZ-CD1 3.36Å; F386-W390 AromaticContact CZ-CG 3.92Å; F386-W390 HydrophobicContact CZ-CG 3.92Å; F386-W390 AromaticContact CZ-NE1 3.84Å; F386-W390 WeakPolarHBondContact O-CB 3.38Å; F386-W390 PolarHBondContact O-N 2.98Å; F386-N469 VanDerWaalsContact CA-OD1 3.28Å; F386-N469 WeakPolarHBondContact CA-OD1 3.13Å; F386-N469 PolarHBondContact N-OD1 3.38Å |
| 387 | V | 95.8 | Very high | 92.4 | Very high | 28 Ų | 28 | 22.9 Ų | 22.9 | 17% | 0.17 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | -179.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | L177 M180 V383 S384 G385 C389 M391 | L177-V387 HydrophobicContact CD1-CB 4.49Å; L177-V387 HydrophobicContact CD1-CG1 4.29Å; L177-V387 HydrophobicContact CD1-CG2 3.44Å; L177-V387 VanDerWaalsContact CD1-CG2 3.44Å; M180-V387 HydrophobicContact CE-CG2 3.82Å; V383-V387 WeakPolarHBondContact O-CG2 3.41Å; V383-V387 PolarHBondContact O-N 3.03Å; S384-V387 PolarHBondContact O-N 3.36Å; G385-V387 VanDerWaalsContact C-N 3.35Å; G385-V387 PolarHBondContact O-N 3.48Å; V387-C389 VanDerWaalsContact C-N 3.28Å; V387-C389 PolarHBondContact O-N 2.94Å; V387-M391 WeakPolarHBondContact O-CB 3.11Å; V387-M391 PolarHBondContact O-N 3.27Å |
| 388 | I | 95.8 | Very high | 92.7 | Very high | 92 Ų | 92 | 23.1 Ų | 23.1 | 47% | 0.472 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 179.4 | -68 | 165.5 | 0 | 0 | 0 | 110.8 | F265 S384 G385 P392 | F265-I388 HydrophobicContact CZ-CD1 3.91Å; S384-I388 WeakPolarHBondContact O-CB 3.47Å; S384-I388 WeakPolarHBondContact O-CD1 3.28Å; S384-I388 VanDerWaalsContact O-CG1 3.24Å; S384-I388 WeakPolarHBondContact O-CG1 3.1Å; S384-I388 PolarHBondContact O-N 3.11Å; G385-I388 PolarHBondContact O-N 3.33Å; I388-P392 WeakPolarHBondContact O-CD 3.35Å |
| 389 | C | 96.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.5 | -46.7 | -179 | -80 | 0 | 0 | 0 | 0 | 113.4 | G385 F386 V387 L465 G466 N469 | G385-C389 VanDerWaalsContact O-CB 3.25Å; G385-C389 WeakPolarHBondContact O-CB 3.46Å; G385-C389 PolarHBondContact O-N 2.87Å; G385-C389 PolarHBondContact O-SG 3.4Å; G385-C389 VanDerWaalsContact O-SG 3.41Å; F386-C389 PolarHBondContact O-N 2.96Å; V387-C389 VanDerWaalsContact C-N 3.28Å; V387-C389 PolarHBondContact O-N 2.94Å; C389-L465 VanDerWaalsContact CB-O 3.24Å; C389-L465 WeakPolarHBondContact CB-O 3.37Å; C389-L465 PolarHBondContact SG-O 3.27Å; C389-G466 WeakPolarHBondContact O-CA 3.18Å; C389-G466 PolarHBondContact O-N 3.13Å; C389-N469 HydrophobicContact CB-CB 3.86Å |
| 390 | W | 96.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -95 | -25.4 | -170.3 | -77.9 | 105.1 | 0 | 0 | 0 | 115.1 | H86 C90 F173 F386 F393 Y394 G466 Y467 | H86-W390 AromaticContact CE1-CZ3 3.73Å; H86-W390 AromaticContact NE2-CH2 3.55Å; H86-W390 AromaticContact NE2-CZ3 3.67Å; C90-W390 WeakPolarHBondContact SG-CH2 3.44Å; C90-W390 VanDerWaalsContact SG-CZ2 3.59Å; F173-W390 HydrophobicContact CD2-CB 4.22Å; F173-W390 HydrophobicContact CE2-CB 3.6Å; F173-W390 HydrophobicContact CZ-CB 4.27Å; F386-W390 HydrophobicContact CD1-CB 4.45Å; F386-W390 AromaticContact CD1-CD1 3.97Å; F386-W390 AromaticContact CD2-CD1 3.77Å; F386-W390 HydrophobicContact CE1-CB 4.03Å; F386-W390 AromaticContact CE1-CD1 3.64Å; F386-W390 AromaticContact CE1-CG 3.99Å; F386-W390 HydrophobicContact CE1-CG 3.99Å; F386-W390 AromaticContact CE2-CD1 3.46Å; F386-W390 VanDerWaalsContact CE2-CD1 3.46Å; F386-W390 HydrophobicContact CE2-CG 4.41Å; F386-W390 AromaticContact CE2-NE1 3.65Å; F386-W390 HydrophobicContact CZ-CB 4.44Å; F386-W390 AromaticContact CZ-CD1 3.36Å; F386-W390 AromaticContact CZ-CG 3.92Å; F386-W390 HydrophobicContact CZ-CG 3.92Å; F386-W390 AromaticContact CZ-NE1 3.84Å; F386-W390 WeakPolarHBondContact O-CB 3.38Å; F386-W390 PolarHBondContact O-N 2.98Å; W390-F393 HydrophobicContact CE3-CB 4.45Å; W390-F393 HydrophobicContact CE3-CD1 4.25Å; W390-F393 HydrophobicContact CZ3-CD1 4.16Å; W390-F393 HydrophobicContact CZ3-CG 4.44Å; W390-F393 PolarHBondContact O-N 3.4Å; W390-Y394 HydrophobicContact CB-CD2 4.18Å; W390-Y394 HydrophobicContact CB-CE2 4.35Å; W390-Y394 HydrophobicContact CD2-CE2 4.32Å; W390-Y394 HydrophobicContact CE3-CD2 4.21Å; W390-Y394 AromaticContact CE3-CE2 3.75Å; W390-Y394 HydrophobicContact CE3-CE2 3.75Å; W390-Y394 HydrophobicContact CZ3-CE2 4.5Å; W390-Y394 WeakPolarHBondContact O-CD2 3.38Å; W390-Y394 PolarHBondContact O-N 2.91Å; W390-Y394 VanDerWaalsContact O-N 3.16Å; W390-G466 VanDerWaalsContact CZ2-C 3.45Å; W390-G466 WeakPolarHBondContact CZ2-O 3.33Å; W390-G466 PolarHBondContact NE1-O 3.35Å; W390-Y467 AromaticContact CH2-CD1 3.97Å; W390-Y467 HydrophobicContact CH2-CD1 3.97Å; W390-Y467 HydrophobicContact CH2-CE1 4.17Å; W390-Y467 HydrophobicContact CZ2-CD1 4.3Å |
| 391 | M | 96.3 | Very high | 92.3 | Very high | 92 Ų | 92 | 28.9 Ų | 28.9 | 45% | 0.453 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -57.5 | -41.3 | -177.6 | -179.2 | 174.9 | 169.1 | 0 | 0 | 113.8 | F173 V387 F393 Y394 T395 | F173-M391 HydrophobicContact CE1-CB 4.27Å; F173-M391 HydrophobicContact CZ-CB 3.94Å; V387-M391 WeakPolarHBondContact O-CB 3.11Å; V387-M391 PolarHBondContact O-N 3.27Å; M391-F393 PolarHBondContact O-N 2.83Å; M391-Y394 PolarHBondContact O-N 3.43Å; M391-T395 VanDerWaalsContact O-CB 3.27Å; M391-T395 WeakPolarHBondContact O-CB 3.34Å; M391-T395 PolarHBondContact O-N 3.42Å; M391-T395 PolarHBondContact O-OG1 3.16Å |
| 392 | P | 96.3 | Very high | 91.8 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 179 | -25.6 | 37 | 0 | 0 | 0 | 112.8 | I388 T395 A396 F462 L465 | I388-P392 WeakPolarHBondContact O-CD 3.35Å; P392-T395 PolarHBondContact O-N 2.82Å; P392-A396 WeakPolarHBondContact O-CB 3.18Å; P392-A396 PolarHBondContact O-N 3.02Å; P392-F462 HydrophobicContact CB-CB 4.21Å; P392-F462 HydrophobicContact CB-CD1 3.44Å; P392-F462 VanDerWaalsContact CB-CD1 3.44Å; P392-F462 HydrophobicContact CB-CD2 4.18Å; P392-F462 HydrophobicContact CB-CE1 3.77Å; P392-F462 HydrophobicContact CB-CE2 4.45Å; P392-F462 HydrophobicContact CB-CG 3.68Å; P392-F462 HydrophobicContact CB-CZ 4.26Å; P392-L465 HydrophobicContact CG-CD2 4.1Å |
| 393 | F | 95.2 | Very high | 91 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 178.2 | 177.3 | -92.5 | 0 | 0 | 0 | 111.9 | H86 Y158 W390 M391 T395 A396 H397 F462 L463 | H86-F393 AromaticContact CE1-CE1 3.67Å; H86-F393 AromaticContact CE1-CZ 3.79Å; Y158-F393 HydrophobicContact CE2-CE2 4.49Å; Y158-F393 AromaticContact CE2-CZ 3.88Å; Y158-F393 HydrophobicContact CE2-CZ 3.88Å; W390-F393 HydrophobicContact CE3-CB 4.45Å; W390-F393 HydrophobicContact CE3-CD1 4.25Å; W390-F393 HydrophobicContact CZ3-CD1 4.16Å; W390-F393 HydrophobicContact CZ3-CG 4.44Å; W390-F393 PolarHBondContact O-N 3.4Å; M391-F393 PolarHBondContact O-N 2.83Å; F393-T395 VanDerWaalsContact C-N 3.25Å; F393-T395 PolarHBondContact O-N 2.97Å; F393-A396 PolarHBondContact O-N 3.13Å; F393-H397 WeakPolarHBondContact O-CB 3.45Å; F393-H397 PolarHBondContact O-N 3.42Å; F393-F462 HydrophobicContact CB-CB 4.13Å; F393-L463 HydrophobicContact CD2-CB 4.27Å; F393-L463 HydrophobicContact CD2-CD1 4.26Å; F393-L463 HydrophobicContact CE2-CB 4.44Å; F393-L463 HydrophobicContact CE2-CD1 3.92Å |
| 394 | Y | 95.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -24.6 | 179.8 | -80.1 | -72.3 | 0 | 0 | 0 | 113.8 | C90 A169 S172 F173 Y174 W390 M391 L398 | C90-Y394 WeakPolarHBondContact CB-OH 3.2Å; A169-Y394 HydrophobicContact CB-CD1 4.21Å; S172-Y394 WeakPolarHBondContact OG-CE1 3.22Å; S172-Y394 PolarHBondContact OG-OH 3.02Å; F173-Y394 HydrophobicContact CB-CD1 3.68Å; F173-Y394 HydrophobicContact CB-CD2 3.61Å; F173-Y394 HydrophobicContact CB-CE1 3.79Å; F173-Y394 HydrophobicContact CB-CE2 3.72Å; F173-Y394 HydrophobicContact CB-CG 3.57Å; F173-Y394 AromaticContact CD1-CD2 3.85Å; F173-Y394 HydrophobicContact CD1-CD2 3.85Å; F173-Y394 AromaticContact CD1-CG 3.74Å; F173-Y394 HydrophobicContact CD1-CG 3.74Å; F173-Y394 AromaticContact CD2-CD2 3.44Å; F173-Y394 HydrophobicContact CD2-CD2 3.44Å; F173-Y394 VanDerWaalsContact CD2-CD2 3.44Å; F173-Y394 AromaticContact CD2-CE2 3.69Å; F173-Y394 HydrophobicContact CD2-CE2 3.69Å; F173-Y394 HydrophobicContact CD2-CG 4.15Å; F173-Y394 HydrophobicContact CE1-CD2 4.37Å; F173-Y394 HydrophobicContact CE1-CG 4.45Å; F173-Y394 HydrophobicContact CE2-CD2 4.02Å; F173-Y394 HydrophobicContact CE2-CE2 4.5Å; F173-Y394 HydrophobicContact CG-CD1 4.21Å; F173-Y394 AromaticContact CG-CD2 3.35Å; F173-Y394 HydrophobicContact CG-CD2 3.35Å; F173-Y394 AromaticContact CG-CE2 3.81Å; F173-Y394 HydrophobicContact CG-CE2 3.81Å; F173-Y394 AromaticContact CG-CG 3.56Å; F173-Y394 HydrophobicContact CG-CG 3.56Å; F173-Y394 HydrophobicContact CZ-CD2 4.45Å; Y174-Y394 PolarHBondContact OH-O 2.71Å; W390-Y394 HydrophobicContact CB-CD2 4.18Å; W390-Y394 HydrophobicContact CB-CE2 4.35Å; W390-Y394 HydrophobicContact CD2-CE2 4.32Å; W390-Y394 HydrophobicContact CE3-CD2 4.21Å; W390-Y394 AromaticContact CE3-CE2 3.75Å; W390-Y394 HydrophobicContact CE3-CE2 3.75Å; W390-Y394 HydrophobicContact CZ3-CE2 4.5Å; W390-Y394 WeakPolarHBondContact O-CD2 3.38Å; W390-Y394 PolarHBondContact O-N 2.91Å; W390-Y394 VanDerWaalsContact O-N 3.16Å; M391-Y394 PolarHBondContact O-N 3.43Å; Y394-L398 PolarHBondContact O-N 3.23Å |
| 395 | T | 94.3 | Very high | 87.5 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 27% | 0.27 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.2 | -46.3 | 172.8 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | Y174 M391 P392 F393 H397 L398 I399 | Y174-T395 WeakPolarHBondContact OH-CA 3.5Å; Y174-T395 PolarHBondContact OH-N 3.45Å; Y174-T395 PolarHBondContact OH-OG1 2.93Å; M391-T395 VanDerWaalsContact O-CB 3.27Å; M391-T395 WeakPolarHBondContact O-CB 3.34Å; M391-T395 PolarHBondContact O-N 3.42Å; M391-T395 PolarHBondContact O-OG1 3.16Å; P392-T395 PolarHBondContact O-N 2.82Å; F393-T395 VanDerWaalsContact C-N 3.25Å; F393-T395 PolarHBondContact O-N 2.97Å; T395-H397 PolarHBondContact O-N 3.1Å; T395-L398 PolarHBondContact O-N 3.02Å; T395-I399 HydrophobicContact CG2-CD1 3.73Å; T395-I399 WeakPolarHBondContact O-CG1 3.27Å; T395-I399 PolarHBondContact O-N 3.36Å; T395-I399 VanDerWaalsContact O-N 3.08Å |
| 396 | A | 91.8 | Very high | 85.4 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | P392 F393 L398 I399 E400 I454 F462 | P392-A396 WeakPolarHBondContact O-CB 3.18Å; P392-A396 PolarHBondContact O-N 3.02Å; F393-A396 PolarHBondContact O-N 3.13Å; A396-L398 PolarHBondContact O-N 3Å; A396-I399 PolarHBondContact O-N 3.3Å; A396-E400 WeakPolarHBondContact O-CB 3.35Å; A396-E400 PolarHBondContact O-N 3.31Å; A396-I454 HydrophobicContact CB-CD1 3.98Å; A396-F462 HydrophobicContact CB-CD2 3.84Å; A396-F462 HydrophobicContact CB-CE2 4.12Å |
| 397 | H | 90.2 | Very high | 83.3 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -27.4 | 177.5 | -174.7 | 89.3 | 0 | 0 | 0 | 114 | Y158 R165 S168 F393 T395 | Y158-H397 AromaticContact CD1-CE1 3.99Å; Y158-H397 AromaticContact CG-CE1 3.81Å; R165-H397 WeakPolarHBondContact CD-CE1 3.37Å; R165-H397 VanDerWaalsContact CD-NE2 3.26Å; R165-H397 WeakPolarHBondContact CD-NE2 3.41Å; R165-H397 PolarHBondContact NH1-ND1 3.31Å; S168-H397 PolarHBondContact OG-NE2 3.26Å; F393-H397 WeakPolarHBondContact O-CB 3.45Å; F393-H397 PolarHBondContact O-N 3.42Å; T395-H397 PolarHBondContact O-N 3.1Å |
| 398 | L | 90.6 | Very high | 80.9 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.199 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -83.7 | -31.7 | 173 | -80.7 | -179.4 | 0 | 0 | 0 | 113.3 | I166 A169 Y174 Y394 T395 A396 P401 F402 | I166-L398 HydrophobicContact CG1-CD2 4.2Å; A169-L398 HydrophobicContact CB-CD1 4.19Å; A169-L398 HydrophobicContact CB-CD2 3.74Å; A169-L398 HydrophobicContact CB-CG 3.77Å; Y174-L398 HydrophobicContact CD2-CD1 4.08Å; Y174-L398 HydrophobicContact CE2-CD1 3.36Å; Y174-L398 HydrophobicContact CE2-CG 4.28Å; Y394-L398 PolarHBondContact O-N 3.23Å; T395-L398 PolarHBondContact O-N 3.02Å; A396-L398 PolarHBondContact O-N 3Å; L398-P401 WeakPolarHBondContact O-CD 3.48Å; L398-F402 VanDerWaalsContact O-CD2 3.23Å; L398-F402 WeakPolarHBondContact O-CD2 3.42Å; L398-F402 VanDerWaalsContact O-CE2 3.24Å; L398-F402 WeakPolarHBondContact O-CE2 3.49Å |
| 399 | I | 87.5 | Confident | 78.4 | Confident | 81 Ų | 81 | 55 Ų | 55 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.7 | -34.6 | -176 | -68.8 | 171.7 | 0 | 0 | 0 | 111.8 | T395 A396 P401 F402 C403 | T395-I399 HydrophobicContact CG2-CD1 3.73Å; T395-I399 WeakPolarHBondContact O-CG1 3.27Å; T395-I399 PolarHBondContact O-N 3.36Å; T395-I399 VanDerWaalsContact O-N 3.08Å; A396-I399 PolarHBondContact O-N 3.3Å; I399-P401 VanDerWaalsContact C-CD 3.45Å; I399-F402 WeakPolarHBondContact O-CB 3.29Å; I399-F402 PolarHBondContact O-N 3.38Å; I399-C403 PolarHBondContact O-N 3.49Å; I399-C403 VanDerWaalsContact O-N 3.11Å |
| 400 | E | 83 | Confident | 75.7 | Confident | 52 Ų | 52 | 59 Ų | 59 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -47.8 | -43 | -177 | -175.9 | -169.9 | 156.5 | 0 | 0 | 114.6 | R165 A396 F402 C403 H404 I454 | R165-E400 IonicContact CZ-OE1 3.29Å; R165-E400 IonicContact CZ-OE2 2.67Å; R165-E400 IonicContact NH1-OE1 3.74Å; R165-E400 IonicContact NH1-OE2 2.92Å; R165-E400 PolarHBondContact NH1-OE2 3.17Å; R165-E400 VanDerWaalsContact NH2-CD 3.31Å; R165-E400 IonicContact NH2-OE1 3.17Å; R165-E400 PolarHBondContact NH2-OE1 2.99Å; R165-E400 IonicContact NH2-OE2 3.79Å; R165-E400 PolarHBondContact NH2-OE2 3.3Å; A396-E400 WeakPolarHBondContact O-CB 3.35Å; A396-E400 PolarHBondContact O-N 3.31Å; E400-F402 VanDerWaalsContact C-N 3.31Å; E400-F402 PolarHBondContact O-N 2.99Å; E400-C403 WeakPolarHBondContact O-CB 3.36Å; E400-C403 PolarHBondContact O-N 3.5Å; E400-H404 PolarHBondContact O-CD2 3.1Å; E400-H404 PolarHBondContact O-N 3.22Å; E400-H404 VanDerWaalsContact O-N 3.12Å; E400-I454 HydrophobicContact CB-CD1 4.38Å |
| 401 | P | 80.4 | Confident | 73.2 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -28.6 | 177.1 | -22.6 | 36.3 | 0 | 0 | 0 | 114.4 | L162 R165 L398 I399 | L162-P401 HydrophobicContact CB-CB 4.47Å; L162-P401 HydrophobicContact CD1-CB 4.02Å; L162-P401 HydrophobicContact CD1-CG 4.29Å; R165-P401 HydrophobicContact CB-CG 4.05Å; R165-P401 HydrophobicContact CG-CG 3.72Å; L398-P401 WeakPolarHBondContact O-CD 3.48Å; I399-P401 VanDerWaalsContact C-CD 3.45Å |
| 402 | F | 79.7 | Confident | 71 | Confident | 135 Ų | 135 | 63.5 Ų | 63.5 | 59% | 0.592 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.3 | -32.7 | 176.8 | -58.9 | -81.7 | 0 | 0 | 0 | 111.5 | L162 L398 I399 E400 G405 | L162-F402 HydrophobicContact CD1-CE1 4.35Å; L162-F402 HydrophobicContact CD1-CE2 3.76Å; L162-F402 HydrophobicContact CD1-CZ 3.64Å; L162-F402 HydrophobicContact CD2-CE1 4.27Å; L162-F402 HydrophobicContact CD2-CZ 4.19Å; L398-F402 VanDerWaalsContact O-CD2 3.23Å; L398-F402 WeakPolarHBondContact O-CD2 3.42Å; L398-F402 VanDerWaalsContact O-CE2 3.24Å; L398-F402 WeakPolarHBondContact O-CE2 3.49Å; I399-F402 WeakPolarHBondContact O-CB 3.29Å; I399-F402 PolarHBondContact O-N 3.38Å; E400-F402 VanDerWaalsContact C-N 3.31Å; E400-F402 PolarHBondContact O-N 2.99Å; F402-G405 PolarHBondContact O-N 3.11Å |
| 403 | C | 73.6 | Confident | 68.4 | Low | 14 Ų | 14 | 66.2 Ų | 66.2 | 10% | 0.095 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 170.9 | -76.3 | 0 | 0 | 0 | 0 | 111.8 | I399 E400 G405 C452 | I399-C403 PolarHBondContact O-N 3.49Å; I399-C403 VanDerWaalsContact O-N 3.11Å; E400-C403 WeakPolarHBondContact O-CB 3.36Å; E400-C403 PolarHBondContact O-N 3.5Å; C403-G405 PolarHBondContact O-N 2.88Å; C403-C452 CarbonylContact C-O 3.36Å; C403-C452 HydrophobicContact CB-CB 4.12Å; C403-C452 VanDerWaalsContact CB-O 3.27Å; C403-C452 WeakPolarHBondContact CB-O 3.4Å; C403-C452 PolarHBondContact O-N 3.45Å; C403-C452 VanDerWaalsContact O-O 3.11Å; C403-C452 VanDerWaalsContact SG-SG 3.67Å |
| 404 | H | 62.9 | Low | 66.1 | Low | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 41.6 | 175.5 | -72.3 | -71.7 | 0 | 0 | 0 | 114 | E400 H406 Y407 | E400-H404 PolarHBondContact O-CD2 3.1Å; E400-H404 PolarHBondContact O-N 3.22Å; E400-H404 VanDerWaalsContact O-N 3.12Å; H404-H406 PolarHBondContact O-N 3.28Å; H404-Y407 HydrophobicContact CB-CD2 4.37Å; H404-Y407 PolarHBondContact O-N 3.01Å; H404-Y407 VanDerWaalsContact O-N 3.09Å |
| 405 | G | 47.7 | Very low | 63.5 | Low | 53 Ų | 53 | 74.4 Ų | 74.4 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 17.9 | -160.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | F402 C403 | F402-G405 PolarHBondContact O-N 3.11Å; C403-G405 PolarHBondContact O-N 2.88Å |
| 406 | H | 49.9 | Very low | 61 | Low | 113 Ų | 113 | 79.1 Ų | 79.1 | 52% | 0.523 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | -11.8 | 168.1 | -95.8 | -83.9 | 0 | 0 | 0 | 115.6 | H404 S408 H409 L447 | H404-H406 PolarHBondContact O-N 3.28Å; H406-S408 VanDerWaalsContact C-N 3.32Å; H406-S408 PolarHBondContact O-N 3.18Å; H406-H409 PolarHBondContact O-N 3.17Å; H406-L447 HydrophobicContact CB-CD2 3.7Å; H406-L447 HydrophobicContact CB-CG 3.91Å |
| 407 | Y | 49.5 | Very low | 58.7 | Low | 157 Ų | 157 | 81.8 Ų | 81.8 | 62% | 0.616 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.1 | -27 | -173.6 | -88.9 | -80 | 0 | 0 | 0 | 114.5 | H404 H409 Y410 | H404-Y407 HydrophobicContact CB-CD2 4.37Å; H404-Y407 PolarHBondContact O-N 3.01Å; H404-Y407 VanDerWaalsContact O-N 3.09Å; Y407-H409 VanDerWaalsContact C-N 3.26Å; Y407-H409 PolarHBondContact O-N 2.95Å; Y407-Y410 PolarHBondContact O-N 3.42Å |
| 408 | S | 45 | Very low | 56.4 | Low | 66 Ų | 66 | 89.2 Ų | 89.2 | 46% | 0.462 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.5 | -15.5 | -179.1 | -164.5 | 0 | 0 | 0 | 0 | 114.1 | H406 | H406-S408 VanDerWaalsContact C-N 3.32Å; H406-S408 PolarHBondContact O-N 3.18Å |
| 409 | H | 44.4 | Very low | 54 | Low | 123 Ų | 123 | 90.9 Ų | 90.9 | 57% | 0.569 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82.3 | -40.5 | 172.5 | -129.4 | -79.7 | 0 | 0 | 0 | 110.9 | H406 Y407 M411 V412 D413 | H406-H409 PolarHBondContact O-N 3.17Å; Y407-H409 VanDerWaalsContact C-N 3.26Å; Y407-H409 PolarHBondContact O-N 2.95Å; H409-M411 VanDerWaalsContact C-N 3.26Å; H409-M411 PolarHBondContact O-N 3.38Å; H409-M411 VanDerWaalsContact O-N 3.14Å; H409-V412 WeakPolarHBondContact O-CB 3.45Å; H409-V412 PolarHBondContact O-N 2.69Å; H409-D413 IonicContact CE1-OD2 3.66Å; H409-D413 IonicContact CG-OD2 3.27Å; H409-D413 IonicContact ND1-OD1 3.91Å; H409-D413 IonicContact ND1-OD2 2.76Å; H409-D413 PolarHBondContact ND1-OD2 2.87Å; H409-D413 PolarHBondContact O-N 3.09Å |
| 410 | Y | 39.8 | Very low | 51.6 | Low | 90 Ų | 90 | 90.2 Ų | 90.2 | 35% | 0.353 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -27 | -178.2 | -91.7 | -83.4 | 0 | 0 | 0 | 115.4 | Y407 F414 I443 L447 | Y407-Y410 PolarHBondContact O-N 3.42Å; Y410-F414 HydrophobicContact CD1-CD2 4.14Å; Y410-F414 HydrophobicContact CD1-CE2 4.07Å; Y410-F414 HydrophobicContact CE1-CE2 4.07Å; Y410-I443 WeakPolarHBondContact OH-CG2 3.5Å; Y410-L447 HydrophobicContact CE2-CD2 4.04Å |
| 411 | M | 45 | Very low | 49.6 | Very low | 81 Ų | 81 | 94.3 Ų | 94.3 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -82.9 | -11.6 | 174.4 | -68.7 | -167 | -172.7 | 0 | 0 | 114.2 | P160 H409 | P160-M411 HydrophobicContact CG-CE 4.02Å; H409-M411 VanDerWaalsContact C-N 3.26Å; H409-M411 PolarHBondContact O-N 3.38Å; H409-M411 VanDerWaalsContact O-N 3.14Å |
| 412 | V | 48.6 | Very low | 47.7 | Very low | 106 Ų | 106 | 99.9 Ų | 99.9 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -91.1 | -38 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | H409 | H409-V412 WeakPolarHBondContact O-CB 3.45Å; H409-V412 PolarHBondContact O-N 2.69Å |
| 413 | D | 42.1 | Very low | 45.6 | Very low | 93 Ų | 93 | 99.8 Ų | 99.8 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -88.3 | -8.1 | -170.6 | -59.2 | -36.2 | 0 | 0 | 0 | 115.3 | H409 P415 | H409-D413 IonicContact CE1-OD2 3.66Å; H409-D413 IonicContact CG-OD2 3.27Å; H409-D413 IonicContact ND1-OD1 3.91Å; H409-D413 IonicContact ND1-OD2 2.76Å; H409-D413 PolarHBondContact ND1-OD2 2.87Å; H409-D413 PolarHBondContact O-N 3.09Å; D413-P415 WeakPolarHBondContact O-CD 3.36Å |
| 414 | F | 46.5 | Very low | 43.9 | Very low | 92 Ų | 92 | 110.7 Ų | 110.7 | 40% | 0.404 | 58% | 0.581 | S | S | . | * | trans | -118.7 | 95.6 | -179.9 | -83 | -86.6 | 0 | 0 | 0 | 113.6 | Y410 E416 A417 | Y410-F414 HydrophobicContact CD1-CD2 4.14Å; Y410-F414 HydrophobicContact CD1-CE2 4.07Å; Y410-F414 HydrophobicContact CE1-CE2 4.07Å; F414-E416 PolarHBondContact O-N 3.39Å; F414-A417 PolarHBondContact O-N 3.48Å | ||
| 415 | P | 41.3 | Very low | 42.7 | Very low | 98 Ų | 98 | 113 Ų | 113 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -28.2 | 174.4 | -23.7 | 34.6 | 0 | 0 | 0 | 114 | D413 A417 K418 | D413-P415 WeakPolarHBondContact O-CD 3.36Å; P415-A417 PolarHBondContact O-N 2.75Å; P415-K418 WeakPolarHBondContact O-CB 3.43Å; P415-K418 PolarHBondContact O-N 2.89Å |
| 416 | E | 42.1 | Very low | 42.3 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 67% | 0.668 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.7 | -28 | -176.8 | -67.4 | 140.6 | 167.2 | 0 | 0 | 112.6 | F414 K418 A419 | F414-E416 PolarHBondContact O-N 3.39Å; E416-K418 PolarHBondContact O-N 3.32Å; E416-A419 WeakPolarHBondContact O-CB 3.29Å; E416-A419 PolarHBondContact O-N 3.36Å |
| 417 | A | 42.7 | Very low | 41.6 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.7 | -18.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F414 P415 | F414-A417 PolarHBondContact O-N 3.48Å; P415-A417 PolarHBondContact O-N 2.75Å |
| 418 | K | 41.4 | Very low | 40.9 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.5 | -25.2 | 170.7 | -73.3 | 173.2 | 177.3 | 164 | 0 | 113 | P415 E416 G420 Y421 | P415-K418 WeakPolarHBondContact O-CB 3.43Å; P415-K418 PolarHBondContact O-N 2.89Å; E416-K418 PolarHBondContact O-N 3.32Å; K418-G420 PolarHBondContact O-N 3.45Å; K418-Y421 PolarHBondContact O-N 2.93Å |
| 419 | A | 41.3 | Very low | 40.4 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.8 | -33.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E416 Y421 | E416-A419 WeakPolarHBondContact O-CB 3.29Å; E416-A419 PolarHBondContact O-N 3.36Å; A419-Y421 PolarHBondContact O-N 3.16Å; A419-Y421 VanDerWaalsContact O-N 3.16Å |
| 420 | G | 37.4 | Very low | 39.9 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -8.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K418 | K418-G420 PolarHBondContact O-N 3.45Š|
| 421 | Y | 40.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 131 Ų | 131 | 54% | 0.541 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -12.3 | -173.2 | -159.5 | -98.4 | 0 | 0 | 0 | 114.4 | R148 K418 A419 | R148-Y421 PolarHBondContact NH1-OH 3.42Å; K418-Y421 PolarHBondContact O-N 2.93Å; A419-Y421 PolarHBondContact O-N 3.16Å; A419-Y421 VanDerWaalsContact O-N 3.16Å |
| 422 | N | 39.3 | Very low | 39.3 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -107.5 | -7.5 | -171.8 | -76.7 | -8.2 | 0 | 0 | 0 | 115.3 | ||
| 423 | N | 36.7 | Very low | 38.8 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | -98 | 130.7 | 178.2 | -95.7 | -10.8 | 0 | 0 | 0 | 112.3 | D425 | N423-D425 PolarHBondContact O-N 3.22Š| ||
| 424 | R | 38 | Very low | 38.7 | Very low | 242 Ų | 242 | 137.6 Ų | 137.6 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -79.6 | 9.5 | -177.7 | -73.2 | -179 | 171.1 | 177.6 | -2.6 | 114.3 | ||
| 425 | D | 37 | Very low | 38.5 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | -108.9 | 27.8 | -162.6 | -67.7 | -49.1 | 0 | 0 | 0 | 115.8 | N423 S427 | N423-D425 PolarHBondContact O-N 3.22Å; D425-S427 PolarHBondContact O-N 3Å | ||
| 426 | F | 39.9 | Very low | 38.7 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 9.6 | 178.1 | -141.5 | -94.3 | 0 | 0 | 0 | 114.9 | ||
| 427 | S | 35.7 | Very low | 38.9 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -3.4 | 179.5 | -68.6 | 0 | 0 | 0 | 0 | 115 | D425 | D425-S427 PolarHBondContact O-N 3Š|
| 428 | K | 34.2 | Very low | 39 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -141.9 | 91.4 | 175.3 | -71.7 | -175.3 | -180 | 175.2 | 0 | 111.6 | ||
| 429 | G | 33.4 | Very low | 39.5 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -161.2 | 57.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 430 | R | 34.1 | Very low | 39.5 | Very low | 235 Ų | 235 | 139.5 Ų | 139.5 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | trans | -70.2 | 148.8 | 156.5 | -93.8 | 176.9 | -95.9 | 176.6 | -5.6 | 108.5 | ||||
| 431 | D | 36.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | 75.4 | 30.4 | 165.5 | -47.7 | -32.9 | 0 | 0 | 0 | 119 | R433 | D431-R433 VanDerWaalsContact C-N 3.32Å; D431-R433 PolarHBondContact O-N 2.92Å | ||
| 432 | G | 36.9 | Very low | 40.1 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -74 | 77.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L434 | G432-L434 PolarHBondContact O-N 3.16Š| ||
| 433 | R | 36.9 | Very low | 40.5 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 117.2 | -175.7 | -170.8 | 179 | -67.3 | 171.4 | 0.2 | 112.2 | D431 D435 | D431-R433 VanDerWaalsContact C-N 3.32Å; D431-R433 PolarHBondContact O-N 2.92Å; R433-D435 VanDerWaalsContact CD-OD2 3.22Å; R433-D435 WeakPolarHBondContact CD-OD2 3.37Å; R433-D435 HydrophobicContact CG-CB 3.98Å; R433-D435 WeakPolarHBondContact CG-OD2 3.41Å; R433-D435 PolarHBondContact O-N 2.86Å | ||
| 434 | L | 39.7 | Very low | 40.7 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 9.3 | -174.8 | -120.1 | 155.4 | 0 | 0 | 0 | 114.4 | G432 | G432-L434 PolarHBondContact O-N 3.16Š|
| 435 | D | 43.1 | Very low | 40.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -5.2 | -169.8 | -54.8 | -33.6 | 0 | 0 | 0 | 113.8 | R433 F437 | R433-D435 VanDerWaalsContact CD-OD2 3.22Å; R433-D435 WeakPolarHBondContact CD-OD2 3.37Å; R433-D435 HydrophobicContact CG-CB 3.98Å; R433-D435 WeakPolarHBondContact CG-OD2 3.41Å; R433-D435 PolarHBondContact O-N 2.86Å; D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.34Å |
| 436 | S | 44.7 | Very low | 41.2 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | trans | -79 | 5.7 | -171.4 | -53.7 | 0 | 0 | 0 | 0 | 115.9 | P438 | S436-P438 WeakPolarHBondContact O-CD 3.42Š| ||
| 437 | F | 46.7 | Very low | 41.6 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | trans | -120.3 | 77.9 | -177.4 | -74.7 | -79.4 | 0 | 0 | 0 | 113.1 | D435 N439 M440 | D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.34Å; F437-N439 PolarHBondContact O-N 2.99Å; F437-N439 VanDerWaalsContact O-N 3.12Å; F437-M440 HydrophobicContact CB-CB 4.25Å; F437-M440 HydrophobicContact CB-CE 4.42Å; F437-M440 HydrophobicContact CB-CG 3.89Å; F437-M440 HydrophobicContact CB-SD 4.16Å; F437-M440 HydrophobicContact CD2-CE 4.36Å; F437-M440 HydrophobicContact CG-CE 4.2Å; F437-M440 PolarHBondContact O-N 3.47Å | ||
| 438 | P | 45.5 | Very low | 42.2 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.7 | -27.6 | 179.1 | 22.5 | -33.1 | 0 | 0 | 0 | 113.4 | S436 M440 | S436-P438 WeakPolarHBondContact O-CD 3.42Å; P438-M440 PolarHBondContact O-N 3.47Å |
| 439 | N | 51.5 | Low | 42.9 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 64% | 0.642 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.5 | -21.1 | 177 | -70.3 | -24.6 | 0 | 0 | 0 | 114.1 | F437 V441 S442 I443 | F437-N439 PolarHBondContact O-N 2.99Å; F437-N439 VanDerWaalsContact O-N 3.12Å; N439-V441 VanDerWaalsContact C-N 3.31Å; N439-V441 PolarHBondContact O-N 2.87Å; N439-S442 PolarHBondContact O-OG 3.28Å; N439-I443 WeakPolarHBondContact O-CD1 3.32Å; N439-I443 WeakPolarHBondContact O-CG1 3.47Å; N439-I443 PolarHBondContact O-N 3.46Å |
| 440 | M | 41.5 | Very low | 43.7 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 50% | 0.502 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.8 | -30.4 | 177.1 | -79.3 | -168.4 | -172.7 | 0 | 0 | 112.4 | F437 P438 R444 | F437-M440 HydrophobicContact CB-CB 4.25Å; F437-M440 HydrophobicContact CB-CE 4.42Å; F437-M440 HydrophobicContact CB-CG 3.89Å; F437-M440 HydrophobicContact CB-SD 4.16Å; F437-M440 HydrophobicContact CD2-CE 4.36Å; F437-M440 HydrophobicContact CG-CE 4.2Å; F437-M440 PolarHBondContact O-N 3.47Å; P438-M440 PolarHBondContact O-N 3.47Å; M440-R444 VanDerWaalsContact O-CB 3.24Å; M440-R444 WeakPolarHBondContact O-CB 3.47Å; M440-R444 PolarHBondContact O-N 3.36Å |
| 441 | V | 46.3 | Very low | 44.8 | Very low | 88 Ų | 88 | 115 Ų | 115 | 53% | 0.533 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.9 | -38.6 | -176.3 | -178 | 0 | 0 | 0 | 0 | 112 | N439 K445 | N439-V441 VanDerWaalsContact C-N 3.31Å; N439-V441 PolarHBondContact O-N 2.87Å; V441-K445 PolarHBondContact O-N 3.17Å; V441-K445 VanDerWaalsContact O-N 3.15Å |
| 442 | S | 44 | Very low | 46.4 | Very low | 73 Ų | 73 | 111.1 Ų | 111.1 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.5 | -39.4 | 177.4 | 69 | 0 | 0 | 0 | 0 | 111.8 | N439 K445 K446 | N439-S442 PolarHBondContact O-OG 3.28Å; S442-K445 PolarHBondContact O-N 2.81Å; S442-K446 PolarHBondContact O-N 3.07Å; S442-K446 VanDerWaalsContact O-N 3.13Å |
| 443 | I | 49.1 | Very low | 48 | Very low | 67 Ų | 67 | 111.4 Ų | 111.4 | 34% | 0.344 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.3 | -40.8 | 176.7 | -56.9 | 165.1 | 0 | 0 | 0 | 110.5 | Y410 N439 K445 K446 L447 | Y410-I443 WeakPolarHBondContact OH-CG2 3.5Å; N439-I443 WeakPolarHBondContact O-CD1 3.32Å; N439-I443 WeakPolarHBondContact O-CG1 3.47Å; N439-I443 PolarHBondContact O-N 3.46Å; I443-K445 VanDerWaalsContact C-N 3.31Å; I443-K445 PolarHBondContact O-N 2.86Å; I443-K446 PolarHBondContact O-N 3Å; I443-L447 HydrophobicContact CG2-CD1 3.81Å; I443-L447 PolarHBondContact O-N 3.41Å |
| 444 | R | 40.2 | Very low | 50.2 | Low | 196 Ų | 196 | 104.3 Ų | 104.3 | 74% | 0.74 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -55.8 | -44.5 | 173.3 | -162.7 | 178 | -156.9 | 172.8 | 6.5 | 111.6 | M440 K446 L447 T448 | M440-R444 VanDerWaalsContact O-CB 3.24Å; M440-R444 WeakPolarHBondContact O-CB 3.47Å; M440-R444 PolarHBondContact O-N 3.36Å; R444-K446 VanDerWaalsContact C-N 3.33Å; R444-K446 PolarHBondContact O-N 3.49Å; R444-L447 PolarHBondContact O-N 3.42Å; R444-T448 WeakPolarHBondContact O-CG2 3.3Å; R444-T448 PolarHBondContact O-N 3.33Å; R444-T448 PolarHBondContact O-OG1 3.3Å |
| 445 | K | 41.9 | Very low | 52.4 | Low | 157 Ų | 157 | 100.8 Ų | 100.8 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -27.6 | 175.9 | -75.7 | -175.8 | 176 | -177.2 | 0 | 114.1 | V441 S442 I443 T448 | V441-K445 PolarHBondContact O-N 3.17Å; V441-K445 VanDerWaalsContact O-N 3.15Å; S442-K445 PolarHBondContact O-N 2.81Å; I443-K445 VanDerWaalsContact C-N 3.31Å; I443-K445 PolarHBondContact O-N 2.86Å; K445-T448 WeakPolarHBondContact CA-OG1 3.42Å; K445-T448 PolarHBondContact O-OG1 3.04Å |
| 446 | K | 44.4 | Very low | 54.4 | Low | 175 Ų | 175 | 97.5 Ų | 97.5 | 76% | 0.761 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83 | -26 | 176.1 | -114.8 | 179.7 | 178.6 | -179.4 | 0 | 113.8 | S442 I443 R444 S449 | S442-K446 PolarHBondContact O-N 3.07Å; S442-K446 VanDerWaalsContact O-N 3.13Å; I443-K446 PolarHBondContact O-N 3Å; R444-K446 VanDerWaalsContact C-N 3.33Å; R444-K446 PolarHBondContact O-N 3.49Å; K446-S449 PolarHBondContact O-OG 2.9Å |
| 447 | L | 47.3 | Very low | 56.5 | Low | 41 Ų | 41 | 98.6 Ų | 98.6 | 22% | 0.215 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -79.5 | -25.9 | 173.4 | -95.4 | 63.7 | 0 | 0 | 0 | 113.1 | H406 Y410 I443 R444 S449 S451 | H406-L447 HydrophobicContact CB-CD2 3.7Å; H406-L447 HydrophobicContact CB-CG 3.91Å; Y410-L447 HydrophobicContact CE2-CD2 4.04Å; I443-L447 HydrophobicContact CG2-CD1 3.81Å; I443-L447 PolarHBondContact O-N 3.41Å; R444-L447 PolarHBondContact O-N 3.42Å; L447-S449 VanDerWaalsContact C-N 3.3Å; L447-S449 PolarHBondContact O-N 2.88Å; L447-S451 PolarHBondContact O-OG 2.58Å |
| 448 | T | 48.5 | Very low | 58.6 | Low | 98 Ų | 98 | 95.7 Ų | 95.7 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.1 | -176.8 | 40.4 | 0 | 0 | 0 | 0 | 115.4 | R444 K445 | R444-T448 WeakPolarHBondContact O-CG2 3.3Å; R444-T448 PolarHBondContact O-N 3.33Å; R444-T448 PolarHBondContact O-OG1 3.3Å; K445-T448 WeakPolarHBondContact CA-OG1 3.42Å; K445-T448 PolarHBondContact O-OG1 3.04Å |
| 449 | S | 48.2 | Very low | 60.7 | Low | 104 Ų | 104 | 93.3 Ų | 93.3 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.9 | -174.2 | 52.3 | 0 | 0 | 0 | 0 | 115.7 | K446 L447 | K446-S449 PolarHBondContact O-OG 2.9Å; L447-S449 VanDerWaalsContact C-N 3.3Å; L447-S449 PolarHBondContact O-N 2.88Å |
| 450 | A | 51.6 | Low | 62.7 | Low | 95 Ų | 95 | 88.7 Ų | 88.7 | 79% | 0.785 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -135.5 | 6.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C452 | A450-C452 PolarHBondContact O-N 2.69Š|
| 451 | S | 56.7 | Low | 65.2 | Low | 69 Ų | 69 | 88.6 Ų | 88.6 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | trans | -82.8 | 111.7 | -179.2 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | L447 | L447-S451 PolarHBondContact O-OG 2.58Š| ||
| 452 | C | 70.5 | Confident | 67.6 | Low | 73 Ų | 73 | 87 Ų | 87 | 49% | 0.493 | 49% | 0.491 | S | S | . | . | trans | -77.5 | 141.2 | 161.5 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | C403 A450 | C403-C452 CarbonylContact C-O 3.36Å; C403-C452 HydrophobicContact CB-CB 4.12Å; C403-C452 VanDerWaalsContact CB-O 3.27Å; C403-C452 WeakPolarHBondContact CB-O 3.4Å; C403-C452 PolarHBondContact O-N 3.45Å; C403-C452 VanDerWaalsContact O-O 3.11Å; C403-C452 VanDerWaalsContact SG-SG 3.67Å; A450-C452 PolarHBondContact O-N 2.69Å | ||
| 453 | S | 70.7 | Confident | 70.1 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 58% | 0.58 | 47% | 0.471 | S | S | * | . | trans | -125.2 | 135.1 | 167.3 | 53.7 | 0 | 0 | 0 | 0 | 109 | P455 | S453-P455 WeakPolarHBondContact O-CD 3.35Š| ||
| 454 | I | 81.7 | Confident | 72.4 | Confident | 46 Ų | 46 | 82.1 Ų | 82.1 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | trans | -74.9 | 120 | 169.8 | -59.1 | 177.9 | 0 | 0 | 0 | 106.1 | A396 E400 A456 L458 | A396-I454 HydrophobicContact CB-CD1 3.98Å; E400-I454 HydrophobicContact CB-CD1 4.38Å; I454-A456 PolarHBondContact O-N 3.05Å; I454-L458 HydrophobicContact CG2-CB 4.06Å | ||
| 455 | P | 86.6 | Confident | 75.1 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | trans | -57.8 | 137 | 178.5 | -25.7 | 35.3 | 0 | 0 | 0 | 111.1 | S453 I457 L458 T459 | S453-P455 WeakPolarHBondContact O-CD 3.35Å; P455-I457 HydrophobicContact CB-CG2 4.06Å; P455-I457 PolarHBondContact O-N 2.76Å; P455-I457 VanDerWaalsContact O-N 3.12Å; P455-L458 HydrophobicContact CG-CD1 4.49Å; P455-L458 WeakPolarHBondContact O-CB 3.37Å; P455-L458 PolarHBondContact O-N 3.46Å; P455-T459 PolarHBondContact O-N 3.2Å | ||
| 456 | A | 84.6 | Confident | 77.7 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -50.9 | -41.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I454 L458 T459 D460 | I454-A456 PolarHBondContact O-N 3.05Å; A456-L458 VanDerWaalsContact C-N 3.26Å; A456-L458 PolarHBondContact O-N 2.91Å; A456-T459 WeakPolarHBondContact O-CA 3.49Å; A456-T459 VanDerWaalsContact O-CB 3.3Å; A456-T459 WeakPolarHBondContact O-CB 3.41Å; A456-T459 PolarHBondContact O-N 3.35Å; A456-D460 PolarHBondContact O-N 2.99Å |
| 457 | I | 89.1 | Confident | 80.2 | Confident | 115 Ų | 115 | 60 Ų | 60 | 59% | 0.59 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.9 | -32.6 | 175.7 | -167.9 | 166.3 | 0 | 0 | 0 | 113.9 | P455 L461 | P455-I457 HydrophobicContact CB-CG2 4.06Å; P455-I457 PolarHBondContact O-N 2.76Å; P455-I457 VanDerWaalsContact O-N 3.12Å; I457-L461 HydrophobicContact CG1-CD1 4.16Å; I457-L461 HydrophobicContact CG1-CG 4.49Å; I457-L461 VanDerWaalsContact O-CB 3.29Å; I457-L461 WeakPolarHBondContact O-CB 3.4Å; I457-L461 WeakPolarHBondContact O-CD1 3.32Å; I457-L461 WeakPolarHBondContact O-CG 3.32Å; I457-L461 PolarHBondContact O-N 3.29Å |
| 458 | L | 91.5 | Very high | 82.6 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.5 | -38.5 | 173.7 | -66.5 | -171.1 | 0 | 0 | 0 | 111.4 | I454 P455 A456 L461 F462 | I454-L458 HydrophobicContact CG2-CB 4.06Å; P455-L458 HydrophobicContact CG-CD1 4.49Å; P455-L458 WeakPolarHBondContact O-CB 3.37Å; P455-L458 PolarHBondContact O-N 3.46Å; A456-L458 VanDerWaalsContact C-N 3.26Å; A456-L458 PolarHBondContact O-N 2.91Å; L458-L461 HydrophobicContact CD2-CD1 4.33Å; L458-L461 PolarHBondContact O-N 3.02Å; L458-F462 HydrophobicContact CB-CE2 4.29Å; L458-F462 HydrophobicContact CB-CZ 4.39Å; L458-F462 WeakPolarHBondContact O-CB 3.48Å; L458-F462 VanDerWaalsContact O-CD2 3.31Å; L458-F462 WeakPolarHBondContact O-CD2 3.44Å; L458-F462 WeakPolarHBondContact O-CG 3.42Å; L458-F462 PolarHBondContact O-N 3.14Å |
| 459 | T | 89.1 | Confident | 84.8 | Confident | 58 Ų | 58 | 57 Ų | 57 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.5 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | P455 A456 F462 L463 | P455-T459 PolarHBondContact O-N 3.2Å; A456-T459 WeakPolarHBondContact O-CA 3.49Å; A456-T459 VanDerWaalsContact O-CB 3.3Å; A456-T459 WeakPolarHBondContact O-CB 3.41Å; A456-T459 PolarHBondContact O-N 3.35Å; T459-F462 PolarHBondContact O-N 3.34Å; T459-L463 WeakPolarHBondContact O-CB 3.25Å; T459-L463 PolarHBondContact O-N 3.49Å |
| 460 | D | 92.5 | Very high | 87.2 | Confident | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | 174.2 | -69.3 | -36 | 0 | 0 | 0 | 112 | H70 A456 F462 L463 W464 | H70-D460 IonicContact CE1-OD1 3.78Å; H70-D460 PolarHBondContact CE1-OD1 3.34Å; H70-D460 IonicContact CE1-OD2 3.75Å; H70-D460 IonicContact NE2-OD1 2.81Å; H70-D460 IonicContact NE2-OD2 3.8Å; H70-D460 PolarHBondContact NE2-OD2 3.34Å; A456-D460 PolarHBondContact O-N 2.99Å; D460-F462 VanDerWaalsContact C-N 3.27Å; D460-F462 PolarHBondContact O-N 3.31Å; D460-L463 PolarHBondContact O-N 2.92Å; D460-W464 WeakPolarHBondContact O-CB 3.43Å; D460-W464 VanDerWaalsContact O-CD1 3.25Å; D460-W464 PolarHBondContact O-N 3.22Å |
| 461 | L | 95.2 | Very high | 89.3 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 52% | 0.518 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 179.2 | -76.6 | 168.7 | 0 | 0 | 0 | 111.4 | I457 L458 L465 | I457-L461 HydrophobicContact CG1-CD1 4.16Å; I457-L461 HydrophobicContact CG1-CG 4.49Å; I457-L461 VanDerWaalsContact O-CB 3.29Å; I457-L461 WeakPolarHBondContact O-CB 3.4Å; I457-L461 WeakPolarHBondContact O-CD1 3.32Å; I457-L461 WeakPolarHBondContact O-CG 3.32Å; I457-L461 PolarHBondContact O-N 3.29Å; L458-L461 HydrophobicContact CD2-CD1 4.33Å; L458-L461 PolarHBondContact O-N 3.02Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 PolarHBondContact O-N 3.3Å |
| 462 | F | 96.5 | Very high | 91.2 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 177.5 | -62.9 | -18.6 | 0 | 0 | 0 | 112.7 | P392 F393 A396 L458 T459 D460 G466 | P392-F462 HydrophobicContact CB-CB 4.21Å; P392-F462 HydrophobicContact CB-CD1 3.44Å; P392-F462 VanDerWaalsContact CB-CD1 3.44Å; P392-F462 HydrophobicContact CB-CD2 4.18Å; P392-F462 HydrophobicContact CB-CE1 3.77Å; P392-F462 HydrophobicContact CB-CE2 4.45Å; P392-F462 HydrophobicContact CB-CG 3.68Å; P392-F462 HydrophobicContact CB-CZ 4.26Å; F393-F462 HydrophobicContact CB-CB 4.13Å; A396-F462 HydrophobicContact CB-CD2 3.84Å; A396-F462 HydrophobicContact CB-CE2 4.12Å; L458-F462 HydrophobicContact CB-CE2 4.29Å; L458-F462 HydrophobicContact CB-CZ 4.39Å; L458-F462 WeakPolarHBondContact O-CB 3.48Å; L458-F462 VanDerWaalsContact O-CD2 3.31Å; L458-F462 WeakPolarHBondContact O-CD2 3.44Å; L458-F462 WeakPolarHBondContact O-CG 3.42Å; L458-F462 PolarHBondContact O-N 3.14Å; T459-F462 PolarHBondContact O-N 3.34Å; D460-F462 VanDerWaalsContact C-N 3.27Å; D460-F462 PolarHBondContact O-N 3.31Å; F462-G466 PolarHBondContact O-N 2.88Å |
| 463 | L | 95.6 | Very high | 92.1 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -50 | 175 | -179.4 | 65.3 | 0 | 0 | 0 | 111.2 | W82 F393 T459 D460 L465 G466 Y467 | W82-L463 HydrophobicContact CH2-CD2 4.37Å; W82-L463 HydrophobicContact CZ2-CD2 4.47Å; F393-L463 HydrophobicContact CD2-CB 4.27Å; F393-L463 HydrophobicContact CD2-CD1 4.26Å; F393-L463 HydrophobicContact CE2-CB 4.44Å; F393-L463 HydrophobicContact CE2-CD1 3.92Å; T459-L463 WeakPolarHBondContact O-CB 3.25Å; T459-L463 PolarHBondContact O-N 3.49Å; D460-L463 PolarHBondContact O-N 2.92Å; L463-L465 PolarHBondContact O-N 3.49Å; L463-G466 PolarHBondContact O-N 3.35Å; L463-Y467 HydrophobicContact CD1-CE1 4.13Å; L463-Y467 HydrophobicContact CD1-CE2 3.96Å; L463-Y467 HydrophobicContact CD2-CE2 4.13Å; L463-Y467 HydrophobicContact CG-CD2 4.21Å; L463-Y467 HydrophobicContact CG-CE2 3.77Å; L463-Y467 PolarHBondContact O-N 2.79Å |
| 464 | W | 97.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -31.9 | -180 | -78.3 | 109.4 | 0 | 0 | 0 | 113.2 | L12 M59 A62 L63 D460 Y467 F468 | L12-W464 HydrophobicContact CB-CE3 4.47Å; L12-W464 HydrophobicContact CB-CH2 4.19Å; L12-W464 HydrophobicContact CB-CZ2 4.35Å; L12-W464 HydrophobicContact CB-CZ3 4.24Å; L12-W464 HydrophobicContact CD1-CD2 4.03Å; L12-W464 HydrophobicContact CD1-CG 4.3Å; L12-W464 HydrophobicContact CD1-CZ2 4.08Å; L12-W464 HydrophobicContact CD2-CB 4.25Å; L12-W464 HydrophobicContact CD2-CD2 3.61Å; L12-W464 HydrophobicContact CD2-CE3 3.67Å; L12-W464 HydrophobicContact CD2-CG 3.86Å; L12-W464 HydrophobicContact CD2-CZ3 4.27Å; L12-W464 HydrophobicContact CG-CD2 4.28Å; L12-W464 HydrophobicContact CG-CE3 4.46Å; M59-W464 HydrophobicContact CB-CH2 4.33Å; M59-W464 HydrophobicContact CB-CZ3 4.42Å; M59-W464 HydrophobicContact CG-CH2 4.48Å; M59-W464 HydrophobicContact CG-CZ3 4.12Å; A62-W464 HydrophobicContact CB-CH2 4.45Å; A62-W464 HydrophobicContact CB-CZ2 3.96Å; L63-W464 HydrophobicContact CD2-CH2 3.72Å; L63-W464 HydrophobicContact CD2-CZ2 3.84Å; L63-W464 HydrophobicContact CG-CH2 3.78Å; L63-W464 HydrophobicContact CG-CZ2 4.09Å; D460-W464 WeakPolarHBondContact O-CB 3.43Å; D460-W464 VanDerWaalsContact O-CD1 3.25Å; D460-W464 PolarHBondContact O-N 3.22Å; W464-Y467 HydrophobicContact CD2-CD2 4.16Å; W464-Y467 AromaticContact CE3-CD2 3.79Å; W464-Y467 HydrophobicContact CE3-CD2 3.79Å; W464-Y467 HydrophobicContact CH2-CD2 4.34Å; W464-Y467 AromaticContact CZ3-CD2 3.91Å; W464-Y467 HydrophobicContact CZ3-CD2 3.91Å; W464-Y467 PolarHBondContact O-N 3Å; W464-F468 WeakPolarHBondContact O-CB 3.47Å; W464-F468 PolarHBondContact O-N 2.62Å |
| 465 | L | 97.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 170.1 | 178.5 | 63.8 | 0 | 0 | 0 | 111.7 | C389 P392 L461 L463 F468 | C389-L465 VanDerWaalsContact CB-O 3.24Å; C389-L465 WeakPolarHBondContact CB-O 3.37Å; C389-L465 PolarHBondContact SG-O 3.27Å; P392-L465 HydrophobicContact CG-CD2 4.1Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 PolarHBondContact O-N 3.3Å; L463-L465 PolarHBondContact O-N 3.49Å; L465-F468 PolarHBondContact O-N 3.15Å |
| 466 | G | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C389 W390 F462 L463 F468 N469 | C389-G466 WeakPolarHBondContact O-CA 3.18Å; C389-G466 PolarHBondContact O-N 3.13Å; W390-G466 VanDerWaalsContact CZ2-C 3.45Å; W390-G466 WeakPolarHBondContact CZ2-O 3.33Å; W390-G466 PolarHBondContact NE1-O 3.35Å; F462-G466 PolarHBondContact O-N 2.88Å; L463-G466 PolarHBondContact O-N 3.35Å; G466-F468 VanDerWaalsContact C-N 3.31Å; G466-F468 PolarHBondContact O-N 3.04Å; G466-N469 WeakPolarHBondContact O-CB 3.4Å; G466-N469 PolarHBondContact O-N 3.3Å; G466-N469 VanDerWaalsContact O-N 3.15Å |
| 467 | Y | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -32.2 | 176.1 | -73.2 | -15.8 | 0 | 0 | 0 | 114.1 | I54 L58 M59 A62 H86 W390 L463 W464 N469 S470 | I54-Y467 HydrophobicContact CG2-CD1 3.63Å; I54-Y467 HydrophobicContact CG2-CE1 3.85Å; I54-Y467 HydrophobicContact CG2-CG 4.5Å; L58-Y467 HydrophobicContact CB-CE1 4.27Å; L58-Y467 HydrophobicContact CD1-CE1 4.5Å; M59-Y467 HydrophobicContact CE-CG 4.35Å; M59-Y467 WeakPolarHBondContact CE-O 3.23Å; M59-Y467 HydrophobicContact CG-CD2 3.95Å; M59-Y467 HydrophobicContact CG-CE2 4.42Å; M59-Y467 HydrophobicContact CG-CG 4.1Å; A62-Y467 HydrophobicContact CB-CE2 3.8Å; H86-Y467 AromaticContact CD2-CE1 3.69Å; H86-Y467 AromaticContact CD2-CZ 3.93Å; H86-Y467 PolarHBondContact CD2-OH 3.1Å; H86-Y467 AromaticContact NE2-CE1 3.7Å; W390-Y467 AromaticContact CH2-CD1 3.97Å; W390-Y467 HydrophobicContact CH2-CD1 3.97Å; W390-Y467 HydrophobicContact CH2-CE1 4.17Å; W390-Y467 HydrophobicContact CZ2-CD1 4.3Å; L463-Y467 HydrophobicContact CD1-CE1 4.13Å; L463-Y467 HydrophobicContact CD1-CE2 3.96Å; L463-Y467 HydrophobicContact CD2-CE2 4.13Å; L463-Y467 HydrophobicContact CG-CD2 4.21Å; L463-Y467 HydrophobicContact CG-CE2 3.77Å; L463-Y467 PolarHBondContact O-N 2.79Å; W464-Y467 HydrophobicContact CD2-CD2 4.16Å; W464-Y467 AromaticContact CE3-CD2 3.79Å; W464-Y467 HydrophobicContact CE3-CD2 3.79Å; W464-Y467 HydrophobicContact CH2-CD2 4.34Å; W464-Y467 AromaticContact CZ3-CD2 3.91Å; W464-Y467 HydrophobicContact CZ3-CD2 3.91Å; W464-Y467 PolarHBondContact O-N 3Å; Y467-N469 PolarHBondContact O-N 2.89Å; Y467-S470 WeakPolarHBondContact O-CB 3.1Å; Y467-S470 PolarHBondContact O-N 3.15Å; Y467-S470 VanDerWaalsContact O-N 3.07Å |
| 468 | F | 96.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 31.3 Ų | 31.3 | 33% | 0.333 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.3 | -23.5 | 176.1 | -174.4 | -105.6 | 0 | 0 | 0 | 113.1 | V15 W464 L465 G466 S470 V471 L472 | V15-F468 HydrophobicContact CG1-CD2 4.18Å; V15-F468 HydrophobicContact CG2-CD2 4.44Å; W464-F468 WeakPolarHBondContact O-CB 3.47Å; W464-F468 PolarHBondContact O-N 2.62Å; L465-F468 PolarHBondContact O-N 3.15Å; G466-F468 VanDerWaalsContact C-N 3.31Å; G466-F468 PolarHBondContact O-N 3.04Å; F468-S470 PolarHBondContact O-N 3.25Å; F468-V471 HydrophobicContact CD2-CB 4.41Å; F468-V471 HydrophobicContact CD2-CG2 4.46Å; F468-V471 HydrophobicContact CE2-CB 4.41Å; F468-V471 WeakPolarHBondContact O-CB 3.49Å; F468-V471 PolarHBondContact O-N 3.02Å; F468-L472 HydrophobicContact CD1-CD1 4.38Å; F468-L472 HydrophobicContact CD1-CD2 4.3Å; F468-L472 HydrophobicContact CD1-CG 4.11Å; F468-L472 HydrophobicContact CE1-CD1 4.49Å; F468-L472 HydrophobicContact CE1-CD2 3.68Å; F468-L472 HydrophobicContact CE1-CG 4Å; F468-L472 HydrophobicContact CZ-CD2 4.35Å; F468-L472 PolarHBondContact O-N 3.37Å |
| 469 | N | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.5 | -36 | 171.7 | -179 | 76.6 | 0 | 0 | 0 | 112.7 | F386 C389 G466 Y467 V471 L472 N473 | F386-N469 VanDerWaalsContact CA-OD1 3.28Å; F386-N469 WeakPolarHBondContact CA-OD1 3.13Å; F386-N469 PolarHBondContact N-OD1 3.38Å; C389-N469 HydrophobicContact CB-CB 3.86Å; G466-N469 WeakPolarHBondContact O-CB 3.4Å; G466-N469 PolarHBondContact O-N 3.3Å; G466-N469 VanDerWaalsContact O-N 3.15Å; Y467-N469 PolarHBondContact O-N 2.89Å; N469-V471 PolarHBondContact O-N 3.45Å; N469-L472 WeakPolarHBondContact O-CB 3.34Å; N469-L472 PolarHBondContact O-N 3.35Å; N469-L472 VanDerWaalsContact O-N 3.1Å; N469-N473 PolarHBondContact O-N 2.82Å |
| 470 | S | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -21.5 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | N23 Y467 F468 P474 | N23-S470 PolarHBondContact ND2-O 3.1Å; Y467-S470 WeakPolarHBondContact O-CB 3.1Å; Y467-S470 PolarHBondContact O-N 3.15Å; Y467-S470 VanDerWaalsContact O-N 3.07Å; F468-S470 PolarHBondContact O-N 3.25Å; S470-P474 VanDerWaalsContact O-CD 3.27Å; S470-P474 WeakPolarHBondContact O-CD 3.5Å |
| 471 | V | 96.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -84.7 | -37.3 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | V15 C18 A19 F468 N469 N473 P474 L475 | V15-V471 HydrophobicContact CG1-CG2 3.91Å; V15-V471 WeakPolarHBondContact O-CG2 3.43Å; C18-V471 HydrophobicContact CB-CG1 4.15Å; C18-V471 HydrophobicContact CB-CG2 4.27Å; A19-V471 HydrophobicContact CB-CG2 3.85Å; F468-V471 HydrophobicContact CD2-CB 4.41Å; F468-V471 HydrophobicContact CD2-CG2 4.46Å; F468-V471 HydrophobicContact CE2-CB 4.41Å; F468-V471 WeakPolarHBondContact O-CB 3.49Å; F468-V471 PolarHBondContact O-N 3.02Å; N469-V471 PolarHBondContact O-N 3.45Å; V471-N473 VanDerWaalsContact C-N 3.32Å; V471-N473 PolarHBondContact O-N 3.45Å; V471-P474 WeakPolarHBondContact O-CD 3.49Å; V471-L475 HydrophobicContact CG1-CD1 3.85Å; V471-L475 HydrophobicContact CG1-CG 4.31Å; V471-L475 WeakPolarHBondContact O-CG 3.32Å; V471-L475 PolarHBondContact O-N 3.04Å |
| 472 | L | 94.8 | Very high | 93 | Very high | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | -178.3 | -68.6 | 179.8 | 0 | 0 | 0 | 112.4 | F468 N469 L475 I476 | F468-L472 HydrophobicContact CD1-CD1 4.38Å; F468-L472 HydrophobicContact CD1-CD2 4.3Å; F468-L472 HydrophobicContact CD1-CG 4.11Å; F468-L472 HydrophobicContact CE1-CD1 4.49Å; F468-L472 HydrophobicContact CE1-CD2 3.68Å; F468-L472 HydrophobicContact CE1-CG 4Å; F468-L472 HydrophobicContact CZ-CD2 4.35Å; F468-L472 PolarHBondContact O-N 3.37Å; N469-L472 WeakPolarHBondContact O-CB 3.34Å; N469-L472 PolarHBondContact O-N 3.35Å; N469-L472 VanDerWaalsContact O-N 3.1Å; L472-L475 PolarHBondContact O-N 2.84Å; L472-I476 HydrophobicContact CB-CD1 4.2Å; L472-I476 WeakPolarHBondContact O-CB 3.24Å; L472-I476 WeakPolarHBondContact O-CD1 3.42Å; L472-I476 WeakPolarHBondContact O-CG1 3.29Å; L472-I476 PolarHBondContact O-N 3.23Å |
| 473 | N | 90.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -57.8 | -176 | -79.8 | -18 | 0 | 0 | 0 | 113.1 | D51 V382 N469 V471 L475 I476 Y477 | D51-N473 PolarHBondContact OD2-ND2 3.38Å; V382-N473 VanDerWaalsContact CG1-OD1 3.29Å; V382-N473 WeakPolarHBondContact CG1-OD1 3.19Å; N469-N473 PolarHBondContact O-N 2.82Å; V471-N473 VanDerWaalsContact C-N 3.32Å; V471-N473 PolarHBondContact O-N 3.45Å; N473-L475 VanDerWaalsContact C-N 3.32Å; N473-L475 PolarHBondContact O-N 3.21Å; N473-I476 PolarHBondContact O-N 3.36Å; N473-Y477 HydrophobicContact CB-CE2 4.07Å; N473-Y477 WeakPolarHBondContact O-CD2 3.46Å; N473-Y477 WeakPolarHBondContact O-CE2 3.43Å; N473-Y477 PolarHBondContact O-N 3.26Å |
| 474 | P | 93.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.3 | -41.3 | 172.7 | -27.5 | 34 | 0 | 0 | 0 | 114.7 | G22 N23 I26 S470 V471 Y477 S478 | G22-P474 VanDerWaalsContact CA-CB 3.5Å; N23-P474 HydrophobicContact CB-CG 4.49Å; N23-P474 WeakPolarHBondContact OD1-CG 3.46Å; I26-P474 HydrophobicContact CD1-CB 4.32Å; I26-P474 HydrophobicContact CD1-CG 3.93Å; S470-P474 VanDerWaalsContact O-CD 3.27Å; S470-P474 WeakPolarHBondContact O-CD 3.5Å; V471-P474 WeakPolarHBondContact O-CD 3.49Å; P474-Y477 PolarHBondContact O-N 2.78Å; P474-S478 WeakPolarHBondContact O-CB 3.25Å; P474-S478 PolarHBondContact O-N 3.08Å |
| 475 | L | 93 | Very high | 92 | Very high | 77 Ų | 77 | 43 Ų | 43 | 40% | 0.403 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.7 | -52.9 | 177.9 | -70.1 | 176.3 | 0 | 0 | 0 | 110.6 | V471 L472 N473 Y477 S478 F479 | V471-L475 HydrophobicContact CG1-CD1 3.85Å; V471-L475 HydrophobicContact CG1-CG 4.31Å; V471-L475 WeakPolarHBondContact O-CG 3.32Å; V471-L475 PolarHBondContact O-N 3.04Å; L472-L475 PolarHBondContact O-N 2.84Å; N473-L475 VanDerWaalsContact C-N 3.32Å; N473-L475 PolarHBondContact O-N 3.21Å; L475-Y477 VanDerWaalsContact C-N 3.34Å; L475-Y477 PolarHBondContact O-N 3.27Å; L475-S478 WeakPolarHBondContact O-CB 3.38Å; L475-S478 PolarHBondContact O-N 3.35Å; L475-S478 PolarHBondContact O-OG 2.99Å; L475-F479 HydrophobicContact CB-CE2 4.47Å; L475-F479 HydrophobicContact CD2-CE2 4.36Å; L475-F479 WeakPolarHBondContact O-CD2 3.22Å; L475-F479 PolarHBondContact O-N 3.28Å; L475-F479 VanDerWaalsContact O-N 3.08Å |
| 476 | I | 91.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 179.9 | -67.8 | 160.4 | 0 | 0 | 0 | 110.9 | F264 T378 I381 V382 L472 N473 S478 F479 C480 | F264-I476 HydrophobicContact CZ-CG1 4.33Å; T378-I476 HydrophobicContact CG2-CG2 3.49Å; T378-I476 VanDerWaalsContact CG2-CG2 3.49Å; I381-I476 HydrophobicContact CG2-CD1 3.79Å; I381-I476 HydrophobicContact CG2-CG1 4.08Å; V382-I476 HydrophobicContact CG2-CB 4.3Å; V382-I476 HydrophobicContact CG2-CD1 3.77Å; V382-I476 HydrophobicContact CG2-CG2 3.86Å; L472-I476 HydrophobicContact CB-CD1 4.2Å; L472-I476 WeakPolarHBondContact O-CB 3.24Å; L472-I476 WeakPolarHBondContact O-CD1 3.42Å; L472-I476 WeakPolarHBondContact O-CG1 3.29Å; L472-I476 PolarHBondContact O-N 3.23Å; N473-I476 PolarHBondContact O-N 3.36Å; I476-S478 PolarHBondContact O-N 3Å; I476-F479 PolarHBondContact O-N 2.96Å; I476-C480 VanDerWaalsContact O-CB 3.26Å; I476-C480 WeakPolarHBondContact O-CB 3.17Å; I476-C480 PolarHBondContact O-N 2.99Å; I476-C480 PolarHBondContact O-SG 3.48Å |
| 477 | Y | 89 | Confident | 91.3 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 177 | -58.1 | -49.7 | 0 | 0 | 0 | 112.8 | I26 L44 T378 V382 N473 P474 L475 F479 N481 | I26-Y477 HydrophobicContact CD1-CD2 3.64Å; I26-Y477 HydrophobicContact CD1-CE2 4.02Å; I26-Y477 HydrophobicContact CG1-CD2 4.3Å; L44-Y477 HydrophobicContact CD1-CE1 4.39Å; L44-Y477 HydrophobicContact CD2-CE1 3.95Å; L44-Y477 WeakPolarHBondContact CD2-OH 3.35Å; T378-Y477 HydrophobicContact CG2-CD1 4.25Å; T378-Y477 HydrophobicContact CG2-CE1 4.33Å; V382-Y477 HydrophobicContact CG2-CE1 4.38Å; N473-Y477 HydrophobicContact CB-CE2 4.07Å; N473-Y477 WeakPolarHBondContact O-CD2 3.46Å; N473-Y477 WeakPolarHBondContact O-CE2 3.43Å; N473-Y477 PolarHBondContact O-N 3.26Å; P474-Y477 PolarHBondContact O-N 2.78Å; L475-Y477 VanDerWaalsContact C-N 3.34Å; L475-Y477 PolarHBondContact O-N 3.27Å; Y477-F479 VanDerWaalsContact C-N 3.33Å; Y477-F479 PolarHBondContact O-N 3.43Å; Y477-N481 WeakPolarHBondContact O-CA 3.37Å; Y477-N481 WeakPolarHBondContact O-CB 3.19Å; Y477-N481 PolarHBondContact O-N 3.19Å |
| 478 | S | 88.9 | Confident | 91 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 177.8 | 83 | 0 | 0 | 0 | 0 | 112.9 | P474 L475 I476 R485 | P474-S478 WeakPolarHBondContact O-CB 3.25Å; P474-S478 PolarHBondContact O-N 3.08Å; L475-S478 WeakPolarHBondContact O-CB 3.38Å; L475-S478 PolarHBondContact O-N 3.35Å; L475-S478 PolarHBondContact O-OG 2.99Å; I476-S478 PolarHBondContact O-N 3Å; S478-R485 WeakPolarHBondContact O-CB 3.41Å; S478-R485 WeakPolarHBondContact O-CD 3.49Å; S478-R485 WeakPolarHBondContact O-CG 3.44Å |
| 479 | F | 87 | Confident | 90.7 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -87.3 | -45.7 | 179.1 | -67.4 | -64.8 | 0 | 0 | 0 | 112.5 | W267 M271 L475 I476 Y477 | W267-F479 AromaticContact CH2-CD1 3.86Å; W267-F479 HydrophobicContact CH2-CD1 3.86Å; W267-F479 HydrophobicContact CH2-CD2 4.02Å; W267-F479 AromaticContact CH2-CE1 3.94Å; W267-F479 HydrophobicContact CH2-CE1 3.94Å; W267-F479 HydrophobicContact CH2-CE2 4.11Å; W267-F479 AromaticContact CH2-CG 3.92Å; W267-F479 HydrophobicContact CH2-CG 3.92Å; W267-F479 HydrophobicContact CH2-CZ 4.07Å; W267-F479 HydrophobicContact CZ2-CE1 4.5Å; W267-F479 HydrophobicContact CZ3-CD2 4.36Å; W267-F479 HydrophobicContact CZ3-CG 4.49Å; M271-F479 HydrophobicContact SD-CZ 4.46Å; L475-F479 HydrophobicContact CB-CE2 4.47Å; L475-F479 HydrophobicContact CD2-CE2 4.36Å; L475-F479 WeakPolarHBondContact O-CD2 3.22Å; L475-F479 PolarHBondContact O-N 3.28Å; L475-F479 VanDerWaalsContact O-N 3.08Å; I476-F479 PolarHBondContact O-N 2.96Å; Y477-F479 VanDerWaalsContact C-N 3.33Å; Y477-F479 PolarHBondContact O-N 3.43Å |
| 480 | C | 84.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -86 | -27.1 | -171.4 | -59.5 | 0 | 0 | 0 | 0 | 113.9 | T378 I476 | T378-C480 HydrophobicContact CG2-CB 3.69Å; T378-C480 VanDerWaalsContact OG1-CB 3.32Å; T378-C480 WeakPolarHBondContact OG1-CB 3.26Å; I476-C480 VanDerWaalsContact O-CB 3.26Å; I476-C480 WeakPolarHBondContact O-CB 3.17Å; I476-C480 PolarHBondContact O-N 2.99Å; I476-C480 PolarHBondContact O-SG 3.48Å |
| 481 | N | 85.6 | Confident | 89.9 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | trans | -109.5 | 108.6 | -177.5 | -169.1 | -37.4 | 0 | 0 | 0 | 112.3 | Y477 D483 F484 R485 | Y477-N481 WeakPolarHBondContact O-CA 3.37Å; Y477-N481 WeakPolarHBondContact O-CB 3.19Å; Y477-N481 PolarHBondContact O-N 3.19Å; N481-D483 VanDerWaalsContact C-N 3.26Å; N481-D483 PolarHBondContact O-N 2.88Å; N481-D483 WeakPolarHBondContact OD1-CB 3.43Å; N481-D483 PolarHBondContact OD1-N 3.12Å; N481-F484 HydrophobicContact CB-CB 4.28Å; N481-F484 HydrophobicContact CB-CD2 4.02Å; N481-F484 WeakPolarHBondContact ND2-CD2 3.27Å; N481-F484 PolarHBondContact OD1-N 3.19Å; N481-R485 WeakPolarHBondContact O-CB 3.47Å; N481-R485 PolarHBondContact O-N 3.46Å | ||
| 482 | R | 86.9 | Confident | 89.5 | Confident | 187 Ų | 187 | 60.8 Ų | 60.8 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.8 | -29.7 | -179.3 | -70 | -175.1 | 174.3 | -168.2 | -2.9 | 113.6 | R486 | R482-R486 WeakPolarHBondContact O-CB 3.12Å; R482-R486 PolarHBondContact O-N 3.44Å; R482-R486 VanDerWaalsContact O-N 3.12Å |
| 483 | D | 87.4 | Confident | 89.3 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -78.9 | -45.3 | -176.9 | -60.8 | -51.3 | 0 | 0 | 0 | 110.8 | M36 N481 R486 C487 | M36-D483 HydrophobicContact CE-CB 4.35Å; M36-D483 HydrophobicContact SD-CB 3.98Å; N481-D483 VanDerWaalsContact C-N 3.26Å; N481-D483 PolarHBondContact O-N 2.88Å; N481-D483 WeakPolarHBondContact OD1-CB 3.43Å; N481-D483 PolarHBondContact OD1-N 3.12Å; D483-R486 WeakPolarHBondContact O-CB 3.28Å; D483-R486 PolarHBondContact O-N 3.27Å; D483-R486 VanDerWaalsContact O-N 3.16Å; D483-C487 PolarHBondContact O-N 3.41Å |
| 484 | F | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 169.4 | -82.8 | -65 | 0 | 0 | 0 | 111.7 | I26 V30 M36 L44 N481 R486 C487 F488 | I26-F484 HydrophobicContact CG2-CE1 4Å; I26-F484 HydrophobicContact CG2-CZ 4.26Å; V30-F484 HydrophobicContact CG2-CE1 4.04Å; V30-F484 HydrophobicContact CG2-CZ 4.15Å; M36-F484 HydrophobicContact CE-CD1 3.49Å; M36-F484 VanDerWaalsContact CE-CD1 3.49Å; M36-F484 HydrophobicContact CE-CD2 3.99Å; M36-F484 HydrophobicContact CE-CE1 3.5Å; M36-F484 HydrophobicContact CE-CE2 3.98Å; M36-F484 HydrophobicContact CE-CG 3.73Å; M36-F484 HydrophobicContact CE-CZ 3.75Å; L44-F484 HydrophobicContact CD1-CE2 3.85Å; L44-F484 HydrophobicContact CD1-CZ 4.37Å; N481-F484 HydrophobicContact CB-CB 4.28Å; N481-F484 HydrophobicContact CB-CD2 4.02Å; N481-F484 WeakPolarHBondContact ND2-CD2 3.27Å; N481-F484 PolarHBondContact OD1-N 3.19Å; F484-R486 PolarHBondContact O-N 3.16Å; F484-R486 VanDerWaalsContact O-N 3.12Å; F484-C487 PolarHBondContact O-N 3.23Å; F484-F488 HydrophobicContact CB-CE1 4.12Å; F484-F488 HydrophobicContact CB-CE2 4.45Å; F484-F488 HydrophobicContact CB-CZ 4Å; F484-F488 AromaticContact CD1-CE1 3.82Å; F484-F488 HydrophobicContact CD1-CE1 3.82Å; F484-F488 HydrophobicContact CD1-CZ 4.16Å; F484-F488 HydrophobicContact CG-CE1 4.38Å; F484-F488 HydrophobicContact CG-CZ 4.38Å; F484-F488 VanDerWaalsContact O-CD1 3.29Å; F484-F488 WeakPolarHBondContact O-CD1 3.41Å; F484-F488 VanDerWaalsContact O-CG 3.27Å; F484-F488 WeakPolarHBondContact O-CG 3.02Å; F484-F488 PolarHBondContact O-N 3.01Å |
| 485 | R | 91 | Very high | 87.9 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.7 | -32.6 | 176.1 | -168.9 | 176.1 | 66.9 | -176.4 | 5.6 | 113.2 | S478 N481 R489 | S478-R485 WeakPolarHBondContact O-CB 3.41Å; S478-R485 WeakPolarHBondContact O-CD 3.49Å; S478-R485 WeakPolarHBondContact O-CG 3.44Å; N481-R485 WeakPolarHBondContact O-CB 3.47Å; N481-R485 PolarHBondContact O-N 3.46Å; R485-R489 PolarHBondContact O-N 3.47Å |
| 486 | R | 89.9 | Confident | 86.5 | Confident | 151 Ų | 151 | 73.8 Ų | 73.8 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.2 | -48.1 | 174.4 | -170.9 | -175 | -167.4 | 174 | 9.7 | 111.3 | R482 D483 F484 R489 E490 | R482-R486 WeakPolarHBondContact O-CB 3.12Å; R482-R486 PolarHBondContact O-N 3.44Å; R482-R486 VanDerWaalsContact O-N 3.12Å; D483-R486 WeakPolarHBondContact O-CB 3.28Å; D483-R486 PolarHBondContact O-N 3.27Å; D483-R486 VanDerWaalsContact O-N 3.16Å; F484-R486 PolarHBondContact O-N 3.16Å; F484-R486 VanDerWaalsContact O-N 3.12Å; R486-R489 PolarHBondContact O-N 2.04Å; R486-E490 VanDerWaalsContact O-CG 3.24Å; R486-E490 WeakPolarHBondContact O-CG 3.04Å; R486-E490 PolarHBondContact O-N 3.05Å |
| 487 | C | 89.2 | Confident | 84.8 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 177.2 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | S29 Y33 D483 F484 R489 E490 I491 | S29-C487 VanDerWaalsContact OG-CB 3.31Å; S29-C487 WeakPolarHBondContact OG-CB 3.46Å; Y33-C487 HydrophobicContact CD2-CB 4.18Å; Y33-C487 HydrophobicContact CE2-CB 4.17Å; D483-C487 PolarHBondContact O-N 3.41Å; F484-C487 PolarHBondContact O-N 3.23Å; C487-R489 VanDerWaalsContact C-N 3.33Å; C487-R489 PolarHBondContact O-N 3.4Å; C487-E490 PolarHBondContact O-N 3.42Å; C487-E490 VanDerWaalsContact O-N 3.12Å; C487-I491 VanDerWaalsContact O-CG1 3.3Å; C487-I491 WeakPolarHBondContact O-CG1 3.38Å; C487-I491 PolarHBondContact O-N 3.28Å |
| 488 | F | 91.5 | Very high | 83.2 | Confident | 16 Ų | 16 | 94 Ų | 94 | 7% | 0.07 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 176.9 | -62.9 | -4.2 | 0 | 0 | 0 | 111.3 | L25 I26 S29 F484 E490 I491 L492 | L25-F488 HydrophobicContact CB-CD1 3.81Å; L25-F488 HydrophobicContact CB-CE1 3.87Å; L25-F488 HydrophobicContact CB-CG 4.29Å; L25-F488 HydrophobicContact CB-CZ 4.38Å; L25-F488 HydrophobicContact CD1-CG 4.49Å; L25-F488 WeakPolarHBondContact O-CE1 3.3Å; I26-F488 HydrophobicContact CG1-CE1 4.34Å; I26-F488 HydrophobicContact CG1-CZ 3.87Å; S29-F488 WeakPolarHBondContact OG-CD1 3.43Å; S29-F488 WeakPolarHBondContact OG-CE1 3.28Å; F484-F488 HydrophobicContact CB-CE1 4.12Å; F484-F488 HydrophobicContact CB-CE2 4.45Å; F484-F488 HydrophobicContact CB-CZ 4Å; F484-F488 AromaticContact CD1-CE1 3.82Å; F484-F488 HydrophobicContact CD1-CE1 3.82Å; F484-F488 HydrophobicContact CD1-CZ 4.16Å; F484-F488 HydrophobicContact CG-CE1 4.38Å; F484-F488 HydrophobicContact CG-CZ 4.38Å; F484-F488 VanDerWaalsContact O-CD1 3.29Å; F484-F488 WeakPolarHBondContact O-CD1 3.41Å; F484-F488 VanDerWaalsContact O-CG 3.27Å; F484-F488 WeakPolarHBondContact O-CG 3.02Å; F484-F488 PolarHBondContact O-N 3.01Å; F488-E490 PolarHBondContact O-N 2.85Å; F488-I491 PolarHBondContact O-N 3.45Å; F488-L492 WeakPolarHBondContact O-CB 3.41Å; F488-L492 VanDerWaalsContact O-CG 3.28Å; F488-L492 WeakPolarHBondContact O-CG 3.36Å; F488-L492 PolarHBondContact O-N 3.23Å |
| 489 | R | 89.9 | Confident | 81.4 | Confident | 165 Ų | 165 | 97.1 Ų | 97.1 | 62% | 0.623 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 176.6 | -175.2 | -179.8 | -61.9 | -114.8 | -3.7 | 112.9 | R485 R486 C487 L493 | R485-R489 PolarHBondContact O-N 3.47Å; R486-R489 PolarHBondContact O-N 2.04Å; C487-R489 VanDerWaalsContact C-N 3.33Å; C487-R489 PolarHBondContact O-N 3.4Å; R489-L493 HydrophobicContact CG-CD1 3.8Å; R489-L493 HydrophobicContact CG-CG 4.45Å; R489-L493 VanDerWaalsContact O-CB 3.28Å; R489-L493 WeakPolarHBondContact O-CB 3.37Å; R489-L493 WeakPolarHBondContact O-CG 3.48Å; R489-L493 PolarHBondContact O-N 2.91Å; R489-L493 VanDerWaalsContact O-N 3.14Å |
| 490 | E | 88.5 | Confident | 79.6 | Confident | 38 Ų | 38 | 94.9 Ų | 94.9 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.5 | -31.9 | 179.7 | -60.5 | -96 | -145.9 | 0 | 0 | 111.5 | Y33 R486 C487 F488 C494 R495 K499 | Y33-E490 VanDerWaalsContact OH-CB 3.31Å; Y33-E490 WeakPolarHBondContact OH-CB 3.25Å; R486-E490 VanDerWaalsContact O-CG 3.24Å; R486-E490 WeakPolarHBondContact O-CG 3.04Å; R486-E490 PolarHBondContact O-N 3.05Å; C487-E490 PolarHBondContact O-N 3.42Å; C487-E490 VanDerWaalsContact O-N 3.12Å; F488-E490 PolarHBondContact O-N 2.85Å; E490-C494 PolarHBondContact O-N 3.29Å; E490-R495 PolarHBondContact O-N 3.17Å; E490-R495 WeakPolarHBondContact OE2-CB 3.44Å; E490-K499 IonicContact OE1-NZ 2.71Å; E490-K499 PolarHBondContact OE1-NZ 3.29Å |
| 491 | I | 88.7 | Confident | 77.7 | Confident | 24 Ų | 24 | 98 Ų | 98 | 12% | 0.123 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.2 | -53.6 | 173.2 | -66.2 | 164.9 | 0 | 0 | 0 | 110.8 | L25 L28 S29 Y33 C487 F488 L493 C494 | L25-I491 HydrophobicContact CD2-CB 4.13Å; L25-I491 HydrophobicContact CD2-CD1 4.47Å; L25-I491 HydrophobicContact CD2-CG2 3.69Å; L28-I491 HydrophobicContact CB-CD1 4.16Å; S29-I491 WeakPolarHBondContact OG-CD1 3.22Å; Y33-I491 HydrophobicContact CE2-CD1 4.09Å; Y33-I491 HydrophobicContact CE2-CG1 3.92Å; C487-I491 VanDerWaalsContact O-CG1 3.3Å; C487-I491 WeakPolarHBondContact O-CG1 3.38Å; C487-I491 PolarHBondContact O-N 3.28Å; F488-I491 PolarHBondContact O-N 3.45Å; I491-L493 PolarHBondContact O-N 3.41Å; I491-C494 WeakPolarHBondContact O-CA 3.48Å; I491-C494 PolarHBondContact O-N 3.34Å |
| 492 | L | 88.9 | Confident | 75.8 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.5 | -27.4 | -178.4 | -70.1 | 170.5 | 0 | 0 | 0 | 113.3 | L25 F488 C494 | L25-L492 HydrophobicContact CD1-CD1 4.23Å; L25-L492 HydrophobicContact CD1-CD2 4.29Å; L25-L492 HydrophobicContact CD1-CG 4.36Å; L25-L492 HydrophobicContact CD2-CD2 4.22Å; L25-L492 HydrophobicContact CD2-CG 4.18Å; F488-L492 WeakPolarHBondContact O-CB 3.41Å; F488-L492 VanDerWaalsContact O-CG 3.28Å; F488-L492 WeakPolarHBondContact O-CG 3.36Å; F488-L492 PolarHBondContact O-N 3.23Å; L492-C494 VanDerWaalsContact C-N 3.31Å |
| 493 | L | 89.3 | Confident | 73.9 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.7 | 172.8 | -63.2 | 175.9 | 0 | 0 | 0 | 113.3 | R489 I491 R495 | R489-L493 HydrophobicContact CG-CD1 3.8Å; R489-L493 HydrophobicContact CG-CG 4.45Å; R489-L493 VanDerWaalsContact O-CB 3.28Å; R489-L493 WeakPolarHBondContact O-CB 3.37Å; R489-L493 WeakPolarHBondContact O-CG 3.48Å; R489-L493 PolarHBondContact O-N 2.91Å; R489-L493 VanDerWaalsContact O-N 3.14Å; I491-L493 PolarHBondContact O-N 3.41Å; L493-R495 HydrophobicContact CB-CG 3.87Å; L493-R495 WeakPolarHBondContact O-CG 3.09Å; L493-R495 PolarHBondContact O-N 3.27Å |
| 494 | C | 81.4 | Confident | 71.9 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 76% | 0.757 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 25.7 | -176.4 | -64.8 | 0 | 0 | 0 | 0 | 114.6 | E490 I491 L492 C496 | E490-C494 PolarHBondContact O-N 3.29Å; I491-C494 WeakPolarHBondContact O-CA 3.48Å; I491-C494 PolarHBondContact O-N 3.34Å; L492-C494 VanDerWaalsContact C-N 3.31Å; C494-C496 VanDerWaalsContact C-N 3.25Å; C494-C496 PolarHBondContact O-N 2.6Å |
| 495 | R | 73.3 | Confident | 69.9 | Low | 133 Ų | 133 | 108.2 Ų | 108.2 | 50% | 0.502 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -81.4 | 1.1 | -174.2 | -69.5 | -175.8 | 178 | -162.7 | -1.6 | 114.2 | E490 L493 R497 R498 | E490-R495 PolarHBondContact O-N 3.17Å; E490-R495 WeakPolarHBondContact OE2-CB 3.44Å; L493-R495 HydrophobicContact CB-CG 3.87Å; L493-R495 WeakPolarHBondContact O-CG 3.09Å; L493-R495 PolarHBondContact O-N 3.27Å; R495-R497 PolarHBondContact O-N 3.21Å; R495-R498 PolarHBondContact O-N 2.79Å |
| 496 | C | 63.8 | Low | 67.8 | Low | 58 Ų | 58 | 105.7 Ų | 105.7 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -46.3 | -34.1 | -177.1 | -60.8 | 0 | 0 | 0 | 0 | 114.5 | C494 R498 | C494-C496 VanDerWaalsContact C-N 3.25Å; C494-C496 PolarHBondContact O-N 2.6Å; C496-R498 PolarHBondContact O-N 2.79Å |
| 497 | R | 56.9 | Low | 65.9 | Low | 233 Ų | 233 | 103.1 Ų | 103.1 | 88% | 0.879 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -72.5 | -21.4 | -179.4 | -74.2 | -169 | 174.6 | -149 | 0.3 | 115.7 | R495 K499 | R495-R497 PolarHBondContact O-N 3.21Å; R497-K499 PolarHBondContact O-N 3.07Å |
| 498 | R | 54.4 | Low | 63.8 | Low | 202 Ų | 202 | 112.4 Ų | 112.4 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -80.8 | -6.7 | -169 | -82.2 | -175.3 | 176.7 | 166.4 | 1.1 | 116.7 | R495 C496 | R495-R498 PolarHBondContact O-N 2.79Å; C496-R498 PolarHBondContact O-N 2.79Å |
| 499 | K | 51.7 | Low | 61.8 | Low | 93 Ų | 93 | 120.6 Ų | 120.6 | 40% | 0.404 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.7 | -19.4 | -178.4 | -86.8 | 172.9 | -179.9 | 157.2 | 0 | 116.5 | E490 R497 N501 K502 L503 | E490-K499 IonicContact OE1-NZ 2.71Å; E490-K499 PolarHBondContact OE1-NZ 3.29Å; R497-K499 PolarHBondContact O-N 3.07Å; K499-N501 PolarHBondContact O-N 2.98Å; K499-K502 PolarHBondContact O-N 3.42Å; K499-K502 VanDerWaalsContact O-N 3.16Å; K499-L503 PolarHBondContact O-N 3.24Å |
| 500 | G | 47.9 | Very low | 59.9 | Low | 47 Ų | 47 | 119.3 Ų | 119.3 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -55.3 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R504 | G500-R504 PolarHBondContact O-N 3.28Å |
| 501 | N | 45.2 | Very low | 58.1 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.4 | -36.3 | 178.3 | -68.1 | -1.1 | 0 | 0 | 0 | 113 | K499 L503 R504 V505 | K499-N501 PolarHBondContact O-N 2.98Å; N501-L503 PolarHBondContact O-N 3.43Å; N501-R504 PolarHBondContact O-N 3.22Å; N501-V505 WeakPolarHBondContact O-CG2 3.47Å; N501-V505 PolarHBondContact O-N 2.93Å |
| 502 | K | 47.4 | Very low | 56 | Low | 162 Ų | 162 | 131.2 Ų | 131.2 | 70% | 0.704 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.8 | -34.3 | 177.9 | -74.9 | -164 | 174 | -169.3 | 0 | 112.8 | K499 S506 | K499-K502 PolarHBondContact O-N 3.42Å; K499-K502 VanDerWaalsContact O-N 3.16Å; K502-S506 PolarHBondContact O-N 3.06Å; K502-S506 VanDerWaalsContact O-N 3.12Å |
| 503 | L | 46.1 | Very low | 53.7 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 58% | 0.581 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.3 | -36.7 | 176.9 | -157.2 | 71.9 | 0 | 0 | 0 | 112.3 | K499 N501 V505 S506 I507 | K499-L503 PolarHBondContact O-N 3.24Å; N501-L503 PolarHBondContact O-N 3.43Å; L503-V505 VanDerWaalsContact C-N 3.33Å; L503-V505 PolarHBondContact O-N 3.12Å; L503-S506 PolarHBondContact O-N 3.16Å; L503-I507 HydrophobicContact CG-CD1 4.4Å; L503-I507 WeakPolarHBondContact O-CG1 3Å; L503-I507 PolarHBondContact O-N 3.44Å; L503-I507 VanDerWaalsContact O-N 3.14Å |
| 504 | R | 44.3 | Very low | 51.6 | Low | 190 Ų | 190 | 142.1 Ų | 142.1 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59.2 | -41.2 | 170.3 | -87.7 | -176.1 | 171.2 | 177.1 | -2.6 | 112.3 | G500 N501 R508 | G500-R504 PolarHBondContact O-N 3.28Å; N501-R504 PolarHBondContact O-N 3.22Å; R504-R508 PolarHBondContact O-N 3.22Å |
| 505 | V | 47.8 | Very low | 50.1 | Low | 78 Ų | 78 | 143.7 Ų | 143.7 | 47% | 0.473 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | N501 L503 R509 | N501-V505 WeakPolarHBondContact O-CG2 3.47Å; N501-V505 PolarHBondContact O-N 2.93Å; L503-V505 VanDerWaalsContact C-N 3.33Å; L503-V505 PolarHBondContact O-N 3.12Å; V505-R509 PolarHBondContact O-N 3.46Å |
| 506 | S | 47.7 | Very low | 48.9 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 45% | 0.448 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -70.8 | -32.8 | 179.5 | -163.2 | 0 | 0 | 0 | 0 | 113.6 | K502 L503 | K502-S506 PolarHBondContact O-N 3.06Å; K502-S506 VanDerWaalsContact O-N 3.12Å; L503-S506 PolarHBondContact O-N 3.16Å |
| 507 | I | 49.7 | Very low | 48.1 | Very low | 98 Ų | 98 | 149 Ų | 149 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -73.2 | -37 | 178.1 | -67.8 | 169.3 | 0 | 0 | 0 | 110.9 | L503 R509 L510 H511 | L503-I507 HydrophobicContact CG-CD1 4.4Å; L503-I507 WeakPolarHBondContact O-CG1 3Å; L503-I507 PolarHBondContact O-N 3.44Å; L503-I507 VanDerWaalsContact O-N 3.14Å; I507-R509 VanDerWaalsContact C-N 3.29Å; I507-R509 PolarHBondContact O-N 3.5Å; I507-L510 PolarHBondContact O-N 3.29Å; I507-L510 VanDerWaalsContact O-N 3.07Å; I507-H511 PolarHBondContact O-N 3.02Å |
| 508 | R | 46.5 | Very low | 47.6 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -60.9 | -33.6 | 174.8 | -75.7 | -173.9 | 179.7 | -177.7 | -1.2 | 113.3 | R504 L510 H511 | R504-R508 PolarHBondContact O-N 3.22Å; R508-L510 VanDerWaalsContact C-N 3.29Å; R508-L510 PolarHBondContact O-N 3.24Å; R508-H511 PolarHBondContact O-N 3Å |
| 509 | R | 48.3 | Very low | 47.2 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -11.7 | 175.1 | -63.2 | -168.4 | -156.5 | -169.7 | 3 | 114.8 | V505 I507 | V505-R509 PolarHBondContact O-N 3.46Å; I507-R509 VanDerWaalsContact C-N 3.29Å; I507-R509 PolarHBondContact O-N 3.5Å |
| 510 | L | 50.4 | Low | 46.9 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -2.9 | 177.3 | -81.3 | 161.3 | 0 | 0 | 0 | 112.9 | I507 R508 | I507-L510 PolarHBondContact O-N 3.29Å; I507-L510 VanDerWaalsContact O-N 3.07Å; R508-L510 VanDerWaalsContact C-N 3.29Å; R508-L510 PolarHBondContact O-N 3.24Å |
| 511 | H | 50.8 | Low | 46.8 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -116.2 | 7.4 | 176.3 | -91.4 | 62.2 | 0 | 0 | 0 | 113.1 | I507 R508 P513 | I507-H511 PolarHBondContact O-N 3.02Å; R508-H511 PolarHBondContact O-N 3Å; H511-P513 WeakPolarHBondContact O-CD 3.22Å |
| 512 | Q | 43.7 | Very low | 46.9 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -79.6 | 120.4 | 162.1 | -93.4 | 177.3 | -56.9 | 0 | 0 | 108.2 | ||||
| 513 | P | 41.2 | Very low | 46.9 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | -60.6 | 150 | 160.6 | 29.2 | -32.3 | 0 | 0 | 0 | 108.7 | H511 | H511-P513 WeakPolarHBondContact O-CD 3.22Š| ||
| 514 | R | 46 | Very low | 46.9 | Very low | 324 Ų | 324 | 156.2 Ų | 156.2 | 100% | 1.223 | 71% | 0.71 | S | S | * | * | trans | -75.7 | 0 | 168 | -86.9 | -173.7 | 173.3 | -178.2 | -3.2 | 110.2 |
Retrieved 514 of 514 residues in 111.2 ms
(Link to these results)