| 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 | 52.1 | Low | 77.3 | Confident | 209 Ų | 209 | 70.9 Ų | 70.9 | 100% | 1.03 | 39% | 0.392 | S | S | * | . | 0 | -52.2 | 0 | -82.6 | -175.1 | -88.9 | 0 | 0 | 112.8 | L3 S4 N5 | M1-L3 PolarHBondContact O-N 3.15Å; M1-S4 PolarHBondContact O-N 3.38Å; M1-N5 PolarHBondContact O-N 3.39Å | |||
| 2 | A | 60.9 | Low | 78.7 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S4 N5 F6 | A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.01Å; A2-N5 PolarHBondContact O-N 3.05Å; A2-N5 VanDerWaalsContact O-N 3.15Å; A2-F6 VanDerWaalsContact O-CD2 3.22Å; A2-F6 WeakPolarHBondContact O-CD2 3.49Å; A2-F6 PolarHBondContact O-N 3.4Å |
| 3 | L | 65.1 | Low | 80 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | -179.8 | -169.1 | 69.2 | 0 | 0 | 0 | 113.3 | M1 N5 F6 L7 E100 | M1-L3 PolarHBondContact O-N 3.15Å; L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 3.32Å; L3-F6 PolarHBondContact O-N 2.97Å; L3-L7 HydrophobicContact CG-CD1 4.36Å; L3-L7 PolarHBondContact O-N 3Å; L3-L7 VanDerWaalsContact O-N 3.1Å; L3-E100 HydrophobicContact CD2-CG 4.42Å |
| 4 | S | 72.3 | Confident | 81.1 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | M1 A2 F8 | M1-S4 PolarHBondContact O-N 3.38Å; A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.01Å; S4-F8 WeakPolarHBondContact O-CB 3.47Å; S4-F8 PolarHBondContact O-N 3Å; S4-F8 VanDerWaalsContact O-N 3.09Å |
| 5 | N | 80.9 | Confident | 82 | Confident | 114 Ų | 114 | 66.6 Ų | 66.6 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.4 | -37.7 | 178.1 | -65.1 | -4.2 | 0 | 0 | 0 | 111.1 | M1 A2 L3 A9 | M1-N5 PolarHBondContact O-N 3.39Å; A2-N5 PolarHBondContact O-N 3.05Å; A2-N5 VanDerWaalsContact O-N 3.15Å; L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 3.32Å; N5-A9 WeakPolarHBondContact O-CB 3.46Å; N5-A9 PolarHBondContact O-N 3.43Å |
| 6 | F | 80.4 | Confident | 83 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.6 | -81 | -73.2 | 0 | 0 | 0 | 112.2 | A2 L3 A9 Q10 L189 L192 | A2-F6 VanDerWaalsContact O-CD2 3.22Å; A2-F6 WeakPolarHBondContact O-CD2 3.49Å; A2-F6 PolarHBondContact O-N 3.4Å; L3-F6 PolarHBondContact O-N 2.97Å; F6-A9 PolarHBondContact O-N 3.22Å; F6-Q10 WeakPolarHBondContact O-CB 3.33Å; F6-Q10 WeakPolarHBondContact O-CG 3.47Å; F6-Q10 PolarHBondContact O-N 3.49Å; F6-L189 HydrophobicContact CD1-CD2 4.07Å; F6-L189 HydrophobicContact CE1-CD2 4.27Å; F6-L192 HydrophobicContact CE1-CB 4.05Å; F6-L192 HydrophobicContact CE1-CD1 4.15Å |
| 7 | L | 81 | Confident | 83.8 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 178.7 | -75.5 | 162.4 | 0 | 0 | 0 | 111.9 | L3 Q10 C11 T91 L95 | L3-L7 HydrophobicContact CG-CD1 4.36Å; L3-L7 PolarHBondContact O-N 3Å; L3-L7 VanDerWaalsContact O-N 3.1Å; L7-Q10 PolarHBondContact O-N 3.12Å; L7-C11 WeakPolarHBondContact O-CB 3.47Å; L7-C11 PolarHBondContact O-N 3.03Å; L7-T91 HydrophobicContact CD2-CG2 4.24Å; L7-T91 WeakPolarHBondContact O-CG2 3.49Å; L7-L95 HydrophobicContact CB-CD1 3.93Å |
| 8 | F | 86.1 | Confident | 84.5 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177 | -174.1 | -106.6 | 0 | 0 | 0 | 112.1 | S4 Q10 C11 I12 | S4-F8 WeakPolarHBondContact O-CB 3.47Å; S4-F8 PolarHBondContact O-N 3Å; S4-F8 VanDerWaalsContact O-N 3.09Å; F8-Q10 PolarHBondContact O-N 3.2Å; F8-C11 WeakPolarHBondContact O-CB 3.42Å; F8-C11 PolarHBondContact O-N 2.92Å; F8-I12 HydrophobicContact CD1-CD1 3.83Å; F8-I12 HydrophobicContact CE1-CD1 3.4Å; F8-I12 HydrophobicContact CE1-CG1 4.41Å; F8-I12 HydrophobicContact CZ-CD1 3.85Å; F8-I12 PolarHBondContact O-N 3.39Å; F8-I12 VanDerWaalsContact O-N 3.09Å |
| 9 | A | 90.4 | Very high | 85.2 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | N5 F6 C11 I12 C13 L189 | N5-A9 WeakPolarHBondContact O-CB 3.46Å; N5-A9 PolarHBondContact O-N 3.43Å; F6-A9 PolarHBondContact O-N 3.22Å; A9-C11 VanDerWaalsContact C-N 3.32Å; A9-C11 PolarHBondContact O-N 3.11Å; A9-I12 PolarHBondContact O-N 3.35Å; A9-C13 PolarHBondContact O-N 3.01Å; A9-C13 PolarHBondContact O-SG 3.15Å; A9-L189 HydrophobicContact CB-CD1 4.1Å |
| 10 | Q | 90.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 175 | -78.4 | -179.1 | -24.4 | 0 | 0 | 111.9 | F6 L7 F8 I12 C13 Y14 T91 L189 | F6-Q10 WeakPolarHBondContact O-CB 3.33Å; F6-Q10 WeakPolarHBondContact O-CG 3.47Å; F6-Q10 PolarHBondContact O-N 3.49Å; L7-Q10 PolarHBondContact O-N 3.12Å; F8-Q10 PolarHBondContact O-N 3.2Å; Q10-I12 PolarHBondContact O-N 3.37Å; Q10-C13 PolarHBondContact O-N 3.11Å; Q10-Y14 HydrophobicContact CB-CD2 4.38Å; Q10-Y14 HydrophobicContact CB-CE2 4.14Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.37Å; Q10-Y14 PolarHBondContact O-N 3.04Å; Q10-T91 HydrophobicContact CB-CG2 4.41Å; Q10-L189 HydrophobicContact CG-CB 3.97Å; Q10-L189 HydrophobicContact CG-CD1 3.97Å |
| 11 | C | 90.9 | Very high | 86.4 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 177.7 | -168.5 | 0 | 0 | 0 | 0 | 112 | L7 F8 A9 Y14 F15 T91 | L7-C11 WeakPolarHBondContact O-CB 3.47Å; L7-C11 PolarHBondContact O-N 3.03Å; F8-C11 WeakPolarHBondContact O-CB 3.42Å; F8-C11 PolarHBondContact O-N 2.92Å; A9-C11 VanDerWaalsContact C-N 3.32Å; A9-C11 PolarHBondContact O-N 3.11Å; C11-Y14 PolarHBondContact O-N 3.36Å; C11-F15 PolarHBondContact O-N 3.35Å; C11-T91 HydrophobicContact CB-CG2 3.96Å |
| 12 | I | 93.6 | Very high | 88.5 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 40% | 0.395 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 176 | -67.7 | 167.4 | 0 | 0 | 0 | 110.3 | F8 A9 Q10 Y14 F15 L16 | F8-I12 HydrophobicContact CD1-CD1 3.83Å; F8-I12 HydrophobicContact CE1-CD1 3.4Å; F8-I12 HydrophobicContact CE1-CG1 4.41Å; F8-I12 HydrophobicContact CZ-CD1 3.85Å; F8-I12 PolarHBondContact O-N 3.39Å; F8-I12 VanDerWaalsContact O-N 3.09Å; A9-I12 PolarHBondContact O-N 3.35Å; Q10-I12 PolarHBondContact O-N 3.37Å; I12-Y14 PolarHBondContact O-N 3.18Å; I12-F15 PolarHBondContact O-N 2.97Å; I12-L16 HydrophobicContact CG2-CD1 4.06Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.32Å |
| 13 | C | 95.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | A9 Q10 F15 L16 A17 T182 I186 | A9-C13 PolarHBondContact O-N 3.01Å; A9-C13 PolarHBondContact O-SG 3.15Å; Q10-C13 PolarHBondContact O-N 3.11Å; C13-F15 VanDerWaalsContact C-N 3.32Å; C13-F15 PolarHBondContact O-N 3.01Å; C13-L16 PolarHBondContact O-N 2.96Å; C13-A17 WeakPolarHBondContact O-CB 3.44Å; C13-A17 PolarHBondContact O-N 3.32Å; C13-T182 HydrophobicContact CB-CG2 4.23Å; C13-T182 WeakPolarHBondContact O-CG2 3.42Å; C13-I186 HydrophobicContact CB-CD1 4.11Å; C13-I186 HydrophobicContact CB-CG1 3.51Å |
| 14 | Y | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 175.9 | -72.6 | -57.4 | 0 | 0 | 0 | 112.3 | Q10 C11 I12 A17 F18 Q87 N109 W183 I186 | Q10-Y14 HydrophobicContact CB-CD2 4.38Å; Q10-Y14 HydrophobicContact CB-CE2 4.14Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.37Å; Q10-Y14 PolarHBondContact O-N 3.04Å; C11-Y14 PolarHBondContact O-N 3.36Å; I12-Y14 PolarHBondContact O-N 3.18Å; Y14-A17 PolarHBondContact O-N 2.97Å; Y14-F18 WeakPolarHBondContact O-CB 3.42Å; Y14-F18 PolarHBondContact O-N 3.42Å; Y14-Q87 HydrophobicContact CD1-CB 3.62Å; Y14-Q87 HydrophobicContact CD1-CG 4.47Å; Y14-Q87 HydrophobicContact CD2-CB 4.04Å; Y14-Q87 HydrophobicContact CE1-CB 3.43Å; Y14-Q87 VanDerWaalsContact CE1-CB 3.43Å; Y14-Q87 HydrophobicContact CE1-CG 3.92Å; Y14-Q87 HydrophobicContact CE2-CB 3.89Å; Y14-Q87 HydrophobicContact CG-CB 3.93Å; Y14-N109 PolarHBondContact OH-ND2 2.81Å; Y14-N109 PolarHBondContact OH-OD1 3.46Å; Y14-N109 VanDerWaalsContact OH-OD1 3.08Å; Y14-W183 HydrophobicContact CD1-CH2 4.44Å; Y14-W183 HydrophobicContact CE1-CH2 4.17Å; Y14-W183 HydrophobicContact CE1-CZ3 4.02Å; Y14-I186 HydrophobicContact CD1-CD1 3.6Å; Y14-I186 HydrophobicContact CD1-CG1 4.36Å; Y14-I186 HydrophobicContact CE1-CD1 3.77Å; Y14-I186 HydrophobicContact CE1-CG1 4.26Å; Y14-I186 HydrophobicContact CE1-CG2 3.62Å; Y14-I186 HydrophobicContact CG-CD1 4.34Å |
| 15 | F | 95.3 | Very high | 92.8 | Very high | 115 Ų | 115 | 49.3 Ų | 49.3 | 50% | 0.504 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.4 | -177.6 | -103.3 | 0 | 0 | 0 | 112.2 | C11 I12 C13 F18 L19 | C11-F15 PolarHBondContact O-N 3.35Å; I12-F15 PolarHBondContact O-N 2.97Å; C13-F15 VanDerWaalsContact C-N 3.32Å; C13-F15 PolarHBondContact O-N 3.01Å; F15-F18 WeakPolarHBondContact O-CB 3.41Å; F15-F18 PolarHBondContact O-N 3.37Å; F15-L19 HydrophobicContact CD1-CD1 3.99Å; F15-L19 HydrophobicContact CD1-CG 4.47Å; F15-L19 HydrophobicContact CE1-CD1 3.47Å; F15-L19 VanDerWaalsContact CE1-CD1 3.47Å; F15-L19 HydrophobicContact CE1-CG 4.09Å; F15-L19 HydrophobicContact CZ-CD1 3.96Å; F15-L19 HydrophobicContact CZ-CD2 4.29Å; F15-L19 HydrophobicContact CZ-CG 4.21Å; F15-L19 WeakPolarHBondContact O-CG 3.5Å; F15-L19 PolarHBondContact O-N 3.2Å |
| 16 | L | 96.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63 | -42.3 | 173.7 | -70.4 | 174.5 | 0 | 0 | 0 | 111.6 | I12 C13 F18 L19 F20 T182 | I12-L16 HydrophobicContact CG2-CD1 4.06Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.32Å; C13-L16 PolarHBondContact O-N 2.96Å; L16-F18 VanDerWaalsContact C-N 3.28Å; L16-F18 PolarHBondContact O-N 2.93Å; L16-L19 PolarHBondContact O-N 2.84Å; L16-F20 HydrophobicContact CB-CD2 4.32Å; L16-F20 HydrophobicContact CB-CE2 4.03Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 WeakPolarHBondContact O-CD2 3.3Å; L16-F20 WeakPolarHBondContact O-CG 3.03Å; L16-F20 PolarHBondContact O-N 3.47Å; L16-T182 HydrophobicContact CB-CG2 3.92Å |
| 17 | A | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C13 Y14 S21 A84 T182 W183 I186 | C13-A17 WeakPolarHBondContact O-CB 3.44Å; C13-A17 PolarHBondContact O-N 3.32Å; Y14-A17 PolarHBondContact O-N 2.97Å; A17-S21 VanDerWaalsContact O-CB 3.26Å; A17-S21 WeakPolarHBondContact O-CB 3.41Å; A17-S21 PolarHBondContact O-N 3.43Å; A17-S21 PolarHBondContact O-OG 3.34Å; A17-A84 HydrophobicContact CB-CB 3.97Å; A17-T182 HydrophobicContact CB-CG2 3.87Å; A17-W183 HydrophobicContact CB-CZ2 4.48Å; A17-I186 HydrophobicContact CB-CD1 4.09Å |
| 18 | F | 97 | Very high | 94.8 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 30% | 0.303 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.6 | -51.9 | 172.6 | 168.2 | -92.2 | 0 | 0 | 0 | 111.4 | Y14 F15 L16 F20 S21 F22 L81 A84 T85 | Y14-F18 WeakPolarHBondContact O-CB 3.42Å; Y14-F18 PolarHBondContact O-N 3.42Å; F15-F18 WeakPolarHBondContact O-CB 3.41Å; F15-F18 PolarHBondContact O-N 3.37Å; L16-F18 VanDerWaalsContact C-N 3.28Å; L16-F18 PolarHBondContact O-N 2.93Å; F18-F20 PolarHBondContact O-N 3.34Å; F18-S21 PolarHBondContact O-N 2.93Å; F18-F22 WeakPolarHBondContact O-CB 3.44Å; F18-F22 PolarHBondContact O-N 3.46Å; F18-L81 HydrophobicContact CD2-CD1 3.44Å; F18-L81 VanDerWaalsContact CD2-CD1 3.44Å; F18-L81 HydrophobicContact CD2-CG 4.32Å; F18-L81 HydrophobicContact CE2-CD1 3.58Å; F18-L81 HydrophobicContact CE2-CG 4.35Å; F18-L81 HydrophobicContact CG-CD1 4.16Å; F18-L81 HydrophobicContact CZ-CD1 4.39Å; F18-L81 WeakPolarHBondContact O-CD1 3.34Å; F18-A84 HydrophobicContact CB-CB 4.04Å; F18-T85 VanDerWaalsContact CD2-OG1 3.3Å; F18-T85 WeakPolarHBondContact CD2-OG1 3.39Å |
| 19 | L | 97.5 | Very high | 95.2 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -48.8 | -179.9 | -69.4 | 178.3 | 0 | 0 | 0 | 111.9 | F15 L16 S21 F22 I23 | F15-L19 HydrophobicContact CD1-CD1 3.99Å; F15-L19 HydrophobicContact CD1-CG 4.47Å; F15-L19 HydrophobicContact CE1-CD1 3.47Å; F15-L19 VanDerWaalsContact CE1-CD1 3.47Å; F15-L19 HydrophobicContact CE1-CG 4.09Å; F15-L19 HydrophobicContact CZ-CD1 3.96Å; F15-L19 HydrophobicContact CZ-CD2 4.29Å; F15-L19 HydrophobicContact CZ-CG 4.21Å; F15-L19 WeakPolarHBondContact O-CG 3.5Å; F15-L19 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 2.84Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.3Å; L19-F22 WeakPolarHBondContact O-CB 3.32Å; L19-F22 PolarHBondContact O-N 3.46Å; L19-I23 PolarHBondContact O-N 3.22Å; L19-I23 VanDerWaalsContact O-N 3.07Å |
| 20 | F | 97.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -34.6 | 179.8 | -64.9 | -44.4 | 0 | 0 | 0 | 112.5 | L16 F18 I23 V24 F174 A178 A179 T182 | L16-F20 HydrophobicContact CB-CD2 4.32Å; L16-F20 HydrophobicContact CB-CE2 4.03Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 WeakPolarHBondContact O-CD2 3.3Å; L16-F20 WeakPolarHBondContact O-CG 3.03Å; L16-F20 PolarHBondContact O-N 3.47Å; F18-F20 PolarHBondContact O-N 3.34Å; F20-I23 HydrophobicContact CD1-CD1 3.96Å; F20-I23 WeakPolarHBondContact O-CG1 3.3Å; F20-V24 VanDerWaalsContact O-CG2 3.24Å; F20-V24 WeakPolarHBondContact O-CG2 3.46Å; F20-V24 PolarHBondContact O-N 3.47Å; F20-F174 HydrophobicContact CE1-CE1 4.37Å; F20-A178 HydrophobicContact CB-CB 4.34Å; F20-A178 HydrophobicContact CD1-CB 3.62Å; F20-A178 HydrophobicContact CD2-CB 3.77Å; F20-A178 HydrophobicContact CE1-CB 3.74Å; F20-A178 HydrophobicContact CE2-CB 3.88Å; F20-A178 HydrophobicContact CG-CB 3.65Å; F20-A178 HydrophobicContact CZ-CB 3.87Å; F20-A179 HydrophobicContact CB-CB 3.87Å; F20-T182 WeakPolarHBondContact CD2-OG1 3.32Å; F20-T182 WeakPolarHBondContact CE2-OG1 3.37Å |
| 21 | S | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.5 | -36.5 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | A17 F18 L19 V24 V25 S80 | A17-S21 VanDerWaalsContact O-CB 3.26Å; A17-S21 WeakPolarHBondContact O-CB 3.41Å; A17-S21 PolarHBondContact O-N 3.43Å; A17-S21 PolarHBondContact O-OG 3.34Å; F18-S21 PolarHBondContact O-N 2.93Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.3Å; S21-V24 WeakPolarHBondContact O-CB 3.33Å; S21-V24 PolarHBondContact O-N 3.05Å; S21-V25 WeakPolarHBondContact O-CG2 3.46Å; S21-V25 PolarHBondContact O-N 3.44Å; S21-S80 WeakPolarHBondContact OG-CB 3.31Å; S21-S80 PolarHBondContact OG-OG 3.04Å |
| 22 | F | 96.3 | Very high | 95.2 | Very high | 106 Ų | 106 | 44 Ų | 44 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 178.4 | -178.1 | -98.1 | 0 | 0 | 0 | 111.5 | F18 L19 V24 V25 V26 L81 | F18-F22 WeakPolarHBondContact O-CB 3.44Å; F18-F22 PolarHBondContact O-N 3.46Å; L19-F22 WeakPolarHBondContact O-CB 3.32Å; L19-F22 PolarHBondContact O-N 3.46Å; F22-V24 PolarHBondContact O-N 2.77Å; F22-V24 VanDerWaalsContact O-N 3.15Å; F22-V25 PolarHBondContact O-N 3.13Å; F22-V26 HydrophobicContact CD1-CG2 4.35Å; F22-V26 HydrophobicContact CD2-CG2 4.35Å; F22-V26 HydrophobicContact CE1-CG2 3.92Å; F22-V26 HydrophobicContact CE2-CG2 3.92Å; F22-V26 HydrophobicContact CZ-CG2 3.69Å; F22-V26 WeakPolarHBondContact O-CG2 3.4Å; F22-V26 PolarHBondContact O-N 2.92Å; F22-L81 HydrophobicContact CB-CD1 3.94Å |
| 23 | I | 95.9 | Very high | 95 | Very high | 56 Ų | 56 | 46 Ų | 46 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.7 | -8.3 | 176.8 | 68.5 | 172.7 | 0 | 0 | 0 | 113.5 | L19 F20 P27 I171 F174 | L19-I23 PolarHBondContact O-N 3.22Å; L19-I23 VanDerWaalsContact O-N 3.07Å; F20-I23 HydrophobicContact CD1-CD1 3.96Å; F20-I23 WeakPolarHBondContact O-CG1 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.14Å; I23-P27 WeakPolarHBondContact O-CG 3.33Å; I23-I171 HydrophobicContact CB-CG2 4.33Å; I23-F174 HydrophobicContact CD1-CD1 4.22Å; I23-F174 HydrophobicContact CD1-CE1 4.43Å |
| 24 | V | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -90.6 | -47 | 171.1 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | F20 S21 F22 P27 L28 L176 | F20-V24 VanDerWaalsContact O-CG2 3.24Å; F20-V24 WeakPolarHBondContact O-CG2 3.46Å; F20-V24 PolarHBondContact O-N 3.47Å; S21-V24 WeakPolarHBondContact O-CB 3.33Å; S21-V24 PolarHBondContact O-N 3.05Å; F22-V24 PolarHBondContact O-N 2.77Å; F22-V24 VanDerWaalsContact O-N 3.15Å; V24-P27 WeakPolarHBondContact O-CD 3.32Å; V24-L28 HydrophobicContact CG1-CD1 3.67Å; V24-L28 HydrophobicContact CG1-CG 4.46Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.44Å; V24-L28 PolarHBondContact O-N 2.9Å; V24-L176 HydrophobicContact CB-CG 4.49Å; V24-L176 HydrophobicContact CG1-CD1 4.33Å; V24-L176 HydrophobicContact CG1-CD2 3.87Å; V24-L176 HydrophobicContact CG1-CG 3.78Å; V24-L176 HydrophobicContact CG2-CB 4.4Å; V24-L176 HydrophobicContact CG2-CD2 4.28Å; V24-L176 HydrophobicContact CG2-CG 3.82Å; V24-L176 VanDerWaalsContact CG2-N 3.31Å |
| 25 | V | 96.8 | Very high | 94.2 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | -174.2 | 170 | 0 | 0 | 0 | 0 | 111.6 | S21 F22 S29 L78 | S21-V25 WeakPolarHBondContact O-CG2 3.46Å; S21-V25 PolarHBondContact O-N 3.44Å; F22-V25 PolarHBondContact O-N 3.13Å; V25-S29 WeakPolarHBondContact O-CB 3.45Å; V25-S29 PolarHBondContact O-N 2.95Å; V25-L78 HydrophobicContact CB-CD2 4.49Å; V25-L78 HydrophobicContact CG1-CD2 3.59Å; V25-L78 HydrophobicContact CG1-CG 4.16Å; V25-L78 HydrophobicContact CG2-CD2 4.01Å; V25-L78 HydrophobicContact CG2-CG 4.05Å |
| 26 | V | 95.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -60.5 | -177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | F22 L28 S29 E30 | F22-V26 HydrophobicContact CD1-CG2 4.35Å; F22-V26 HydrophobicContact CD2-CG2 4.35Å; F22-V26 HydrophobicContact CE1-CG2 3.92Å; F22-V26 HydrophobicContact CE2-CG2 3.92Å; F22-V26 HydrophobicContact CZ-CG2 3.69Å; F22-V26 WeakPolarHBondContact O-CG2 3.4Å; F22-V26 PolarHBondContact O-N 2.92Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.43Å; V26-S29 PolarHBondContact O-N 3.19Å; V26-S29 VanDerWaalsContact O-N 3.14Å; V26-E30 PolarHBondContact O-N 3.49Å |
| 27 | P | 94.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -34.6 | -176.1 | 24.8 | -34.5 | 0 | 0 | 0 | 113 | I23 V24 S29 E30 N31 Q168 I171 A172 | I23-P27 WeakPolarHBondContact O-CD 3.14Å; I23-P27 WeakPolarHBondContact O-CG 3.33Å; V24-P27 WeakPolarHBondContact O-CD 3.32Å; P27-S29 VanDerWaalsContact C-N 3.33Å; P27-E30 PolarHBondContact O-N 3.31Å; P27-N31 VanDerWaalsContact O-CB 3.26Å; P27-N31 WeakPolarHBondContact O-CB 3.47Å; P27-N31 PolarHBondContact O-N 3.45Å; P27-Q168 HydrophobicContact CB-CB 3.9Å; P27-Q168 HydrophobicContact CB-CG 4.1Å; P27-Q168 WeakPolarHBondContact CB-O 3.4Å; P27-I171 HydrophobicContact CG-CG2 4.27Å; P27-A172 HydrophobicContact CG-CB 4.25Å |
| 28 | L | 93.9 | Very high | 93 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.6 | -31.7 | 176.2 | -68.6 | -178.7 | 0 | 0 | 0 | 112.5 | V24 V26 G32 I74 F169 A172 | V24-L28 HydrophobicContact CG1-CD1 3.67Å; V24-L28 HydrophobicContact CG1-CG 4.46Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.44Å; V24-L28 PolarHBondContact O-N 2.9Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.43Å; L28-G32 PolarHBondContact O-N 3.3Å; L28-I74 HydrophobicContact CB-CD1 4.36Å; L28-I74 HydrophobicContact CB-CG1 3.68Å; L28-I74 HydrophobicContact CD1-CG1 4.34Å; L28-F169 HydrophobicContact CD2-CD1 3.9Å; L28-F169 HydrophobicContact CD2-CE1 3.66Å; L28-A172 HydrophobicContact CD1-CB 4.25Å; L28-A172 HydrophobicContact CD2-CB 3.71Å; L28-A172 HydrophobicContact CG-CB 3.71Å |
| 29 | S | 93.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | V25 V26 P27 G32 N33 | V25-S29 WeakPolarHBondContact O-CB 3.45Å; V25-S29 PolarHBondContact O-N 2.95Å; V26-S29 PolarHBondContact O-N 3.19Å; V26-S29 VanDerWaalsContact O-N 3.14Å; P27-S29 VanDerWaalsContact C-N 3.33Å; S29-G32 PolarHBondContact O-N 3.44Å; S29-N33 PolarHBondContact O-N 2.97Å; S29-N33 VanDerWaalsContact O-N 3.16Å |
| 30 | E | 92.1 | Very high | 92.4 | Very high | 103 Ų | 103 | 46.3 Ų | 46.3 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -49.5 | 173.9 | -71.5 | -179.2 | 155.9 | 0 | 0 | 110 | V26 P27 G32 N33 D34 | V26-E30 PolarHBondContact O-N 3.49Å; P27-E30 PolarHBondContact O-N 3.31Å; E30-G32 VanDerWaalsContact C-N 3.29Å; E30-G32 PolarHBondContact O-N 2.95Å; E30-N33 WeakPolarHBondContact O-CA 3.44Å; E30-N33 WeakPolarHBondContact O-CB 3.15Å; E30-N33 PolarHBondContact O-N 2.97Å; E30-D34 PolarHBondContact O-N 3.46Å |
| 31 | N | 91.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55 | -44.9 | 175.4 | -170.4 | -100.4 | 0 | 0 | 0 | 112.4 | P27 N33 D34 F35 Q168 F169 | P27-N31 VanDerWaalsContact O-CB 3.26Å; P27-N31 WeakPolarHBondContact O-CB 3.47Å; P27-N31 PolarHBondContact O-N 3.45Å; N31-N33 PolarHBondContact O-N 2.96Å; N31-D34 PolarHBondContact O-N 3.37Å; N31-F35 WeakPolarHBondContact ND2-CE2 3.06Å; N31-F35 VanDerWaalsContact O-CD2 3.32Å; N31-F35 WeakPolarHBondContact O-CD2 3.31Å; N31-F35 PolarHBondContact O-N 3.49Å; N31-F35 VanDerWaalsContact O-N 3.1Å; N31-Q168 VanDerWaalsContact CB-OE1 3.23Å; N31-Q168 PolarHBondContact ND2-OE1 3.45Å; N31-F169 VanDerWaalsContact CG-CE2 3.47Å; N31-F169 WeakPolarHBondContact ND2-CE2 3.28Å; N31-F169 WeakPolarHBondContact OD1-CE2 3.42Å; N31-F169 WeakPolarHBondContact OD1-CZ 3.3Å |
| 32 | G | 88.9 | Confident | 92 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -31.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L28 S29 E30 G37 | L28-G32 PolarHBondContact O-N 3.3Å; S29-G32 PolarHBondContact O-N 3.44Å; E30-G32 VanDerWaalsContact C-N 3.29Å; E30-G32 PolarHBondContact O-N 2.95Å; G32-G37 WeakPolarHBondContact O-CA 3.47Å; G32-G37 PolarHBondContact O-N 3.43Å |
| 33 | N | 89.3 | Confident | 91.8 | Very high | 120 Ų | 120 | 42.7 Ų | 42.7 | 64% | 0.642 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -77.1 | -45.3 | 176.2 | -176.7 | 72.5 | 0 | 0 | 0 | 111.9 | S29 E30 N31 F35 H36 | S29-N33 PolarHBondContact O-N 2.97Å; S29-N33 VanDerWaalsContact O-N 3.16Å; E30-N33 WeakPolarHBondContact O-CA 3.44Å; E30-N33 WeakPolarHBondContact O-CB 3.15Å; E30-N33 PolarHBondContact O-N 2.97Å; N31-N33 PolarHBondContact O-N 2.96Å; N33-F35 PolarHBondContact O-N 3.49Å; N33-H36 PolarHBondContact O-N 2.99Å |
| 34 | D | 87.8 | Confident | 91.4 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -34.6 | -178.4 | -59.2 | -13.9 | 0 | 0 | 0 | 111.6 | E30 N31 E161 Q168 | E30-D34 PolarHBondContact O-N 3.46Å; N31-D34 PolarHBondContact O-N 3.37Å; D34-E161 HydrophobicContact CB-CB 4.24Å; D34-Q168 PolarHBondContact OD2-NE2 2.92Å |
| 35 | F | 86.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 16.8 | 176.4 | -70.6 | -92.1 | 0 | 0 | 0 | 113.7 | N31 N33 G37 R38 L40 W64 L160 N162 F165 | N31-F35 WeakPolarHBondContact ND2-CE2 3.06Å; N31-F35 VanDerWaalsContact O-CD2 3.32Å; N31-F35 WeakPolarHBondContact O-CD2 3.31Å; N31-F35 PolarHBondContact O-N 3.49Å; N31-F35 VanDerWaalsContact O-N 3.1Å; N33-F35 PolarHBondContact O-N 3.49Å; F35-G37 PolarHBondContact O-N 3.42Å; F35-G37 VanDerWaalsContact O-N 3.15Å; F35-R38 WeakPolarHBondContact O-CB 3.39Å; F35-R38 WeakPolarHBondContact O-CG 3.49Å; F35-R38 PolarHBondContact O-N 2.88Å; F35-L40 HydrophobicContact CD1-CD1 4.18Å; F35-L40 HydrophobicContact CD2-CD1 4.44Å; F35-L40 HydrophobicContact CE1-CD1 3.52Å; F35-L40 HydrophobicContact CE2-CD1 3.82Å; F35-L40 HydrophobicContact CZ-CD1 3.31Å; F35-W64 AromaticContact CD1-CH2 3.93Å; F35-W64 HydrophobicContact CD1-CH2 3.93Å; F35-W64 AromaticContact CD1-CZ3 3.85Å; F35-W64 HydrophobicContact CD1-CZ3 3.85Å; F35-W64 HydrophobicContact CE1-CH2 4.41Å; F35-W64 HydrophobicContact CE1-CZ3 4.43Å; F35-L160 HydrophobicContact CD1-CD1 3.77Å; F35-L160 HydrophobicContact CE1-CD1 4.37Å; F35-N162 WeakPolarHBondContact CZ-OD1 3.46Å; F35-F165 HydrophobicContact CE2-CB 4.1Å; F35-F165 HydrophobicContact CZ-CB 4.15Å |
| 36 | H | 87.4 | Confident | 90.3 | Very high | 149 Ų | 149 | 49.9 Ų | 49.9 | 69% | 0.69 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38.5 | 178.6 | -71.1 | -89.9 | 0 | 0 | 0 | 113.9 | N33 R38 L160 | N33-H36 PolarHBondContact O-N 2.99Å; H36-R38 VanDerWaalsContact C-N 3.34Å; H36-L160 WeakPolarHBondContact CD2-CD2 3.27Å |
| 37 | G | 85.1 | Confident | 89.7 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -0.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G32 F35 | G32-G37 WeakPolarHBondContact O-CA 3.47Å; G32-G37 PolarHBondContact O-N 3.43Å; F35-G37 PolarHBondContact O-N 3.42Å; F35-G37 VanDerWaalsContact O-N 3.15Å |
| 38 | R | 90.6 | Very high | 88.8 | Confident | 127 Ų | 127 | 52.3 Ų | 52.3 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | trans | -78.4 | 143.5 | 174.7 | -56.5 | -175.4 | -173.6 | -161.8 | 1.3 | 110.3 | F35 H36 W64 | F35-R38 WeakPolarHBondContact O-CB 3.39Å; F35-R38 WeakPolarHBondContact O-CG 3.49Å; F35-R38 PolarHBondContact O-N 2.88Å; H36-R38 VanDerWaalsContact C-N 3.34Å; R38-W64 HydrophobicContact CB-CD2 3.76Å; R38-W64 HydrophobicContact CB-CE3 3.69Å; R38-W64 HydrophobicContact CB-CG 4.16Å; R38-W64 HydrophobicContact CB-CZ3 4.17Å; R38-W64 HydrophobicContact CG-CD2 4.27Å; R38-W64 HydrophobicContact CG-CG 4.44Å | ||
| 39 | C | 92.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.5 | -178.6 | -175 | 0 | 0 | 0 | 0 | 110.6 | T43 G65 C70 | C39-T43 PolarHBondContact O-OG1 3.36Å; C39-G65 PolarHBondContact O-N 3.08Å; C39-G65 VanDerWaalsContact O-N 3.11Å; C39-C70 WeakPolarHBondContact CA-SG 3.42Å; C39-C70 HydrophobicContact CB-CB 3.78Å; C39-C70 WeakPolarHBondContact CB-SG 3.31Å; C39-C70 WeakPolarHBondContact SG-CB 3.42Å; C39-C70 PolarHBondContact SG-N 3.08Å; C39-C70 VanDerWaalsContact SG-N 3.35Å; C39-C70 CovalentContact SG-SG 2.04Å; C39-C70 PolarHBondContact SG-SG 3.16Å |
| 40 | L | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -29.5 | -179.3 | -177.4 | 149.2 | 0 | 0 | 0 | 112.4 | F35 F42 T43 W134 F165 F169 | F35-L40 HydrophobicContact CD1-CD1 4.18Å; F35-L40 HydrophobicContact CD2-CD1 4.44Å; F35-L40 HydrophobicContact CE1-CD1 3.52Å; F35-L40 HydrophobicContact CE2-CD1 3.82Å; F35-L40 HydrophobicContact CZ-CD1 3.31Å; L40-F42 PolarHBondContact O-N 3.02Å; L40-T43 VanDerWaalsContact C-OG1 3.29Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 WeakPolarHBondContact O-CB 3.41Å; L40-T43 PolarHBondContact O-N 3.29Å; L40-T43 VanDerWaalsContact O-N 3.15Å; L40-T43 PolarHBondContact O-OG1 2.65Å; L40-W134 HydrophobicContact CD1-CD2 4.19Å; L40-W134 HydrophobicContact CD1-CH2 4.48Å; L40-W134 HydrophobicContact CD1-CZ2 3.8Å; L40-W134 HydrophobicContact CD2-CB 3.71Å; L40-W134 HydrophobicContact CD2-CD2 3.53Å; L40-W134 HydrophobicContact CD2-CE3 4.34Å; L40-W134 HydrophobicContact CD2-CG 3.19Å; L40-W134 HydrophobicContact CG-CD2 3.67Å; L40-W134 HydrophobicContact CG-CE3 4.14Å; L40-W134 HydrophobicContact CG-CG 3.93Å; L40-W134 HydrophobicContact CG-CZ2 4.12Å; L40-F165 HydrophobicContact CD1-CB 4.18Å; L40-F165 HydrophobicContact CD1-CG 4.38Å; L40-F169 HydrophobicContact CB-CE2 4.11Å; L40-F169 HydrophobicContact CB-CZ 4.31Å; L40-F169 HydrophobicContact CD1-CE2 4.39Å; L40-F169 HydrophobicContact CD2-CD2 4.11Å; L40-F169 HydrophobicContact CD2-CE2 3.6Å; L40-F169 HydrophobicContact CD2-CZ 4.27Å; L40-F169 HydrophobicContact CG-CE2 4.27Å |
| 41 | L | 93.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 132 | 174.1 | -59.2 | 175.2 | 0 | 0 | 0 | 110.7 | T43 G65 I126 V127 F131 F169 | L41-T43 PolarHBondContact O-N 3.48Å; L41-G65 VanDerWaalsContact O-CA 3.28Å; L41-G65 WeakPolarHBondContact O-CA 3.41Å; L41-I126 HydrophobicContact CD1-CG2 4.2Å; L41-V127 HydrophobicContact CD1-CG2 4.2Å; L41-F131 HydrophobicContact CD2-CB 4.17Å; L41-F169 HydrophobicContact CD1-CE1 4.32Å; L41-F169 HydrophobicContact CD2-CD1 4.04Å; L41-F169 HydrophobicContact CD2-CE1 3.63Å; L41-F169 HydrophobicContact CD2-CZ 4.17Å; L41-F169 HydrophobicContact CG-CE1 3.88Å; L41-F169 HydrophobicContact CG-CZ 4.2Å |
| 42 | F | 93.7 | Very high | 81.5 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.6 | 21.6 | -178.7 | -47.2 | -100.5 | 0 | 0 | 0 | 114.4 | L40 A69 I126 V129 M133 | L40-F42 PolarHBondContact O-N 3.02Å; F42-A69 HydrophobicContact CD2-CB 4.09Å; F42-A69 HydrophobicContact CE2-CB 4.07Å; F42-I126 HydrophobicContact CE2-CG2 3.95Å; F42-I126 HydrophobicContact CZ-CG2 4.47Å; F42-V129 HydrophobicContact CE1-CG1 4.26Å; F42-M133 HydrophobicContact CB-CE 4.27Å; F42-M133 HydrophobicContact CD1-CE 2.96Å; F42-M133 HydrophobicContact CD1-SD 4.48Å; F42-M133 HydrophobicContact CE1-CE 3.21Å; F42-M133 HydrophobicContact CG-CE 3.75Å; F42-M133 HydrophobicContact CZ-CE 4.17Å |
| 43 | T | 91.3 | Very high | 79.6 | Confident | 4 Ų | 4 | 73.6 Ų | 73.6 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.7 | 175 | -63.7 | 0 | 0 | 0 | 0 | 111 | C39 L40 L41 V61 E63 W64 G65 W134 | C39-T43 PolarHBondContact O-OG1 3.36Å; L40-T43 VanDerWaalsContact C-OG1 3.29Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 WeakPolarHBondContact O-CB 3.41Å; L40-T43 PolarHBondContact O-N 3.29Å; L40-T43 VanDerWaalsContact O-N 3.15Å; L40-T43 PolarHBondContact O-OG1 2.65Å; L41-T43 PolarHBondContact O-N 3.48Å; T43-V61 HydrophobicContact CG2-CB 4.46Å; T43-V61 HydrophobicContact CG2-CG1 3.52Å; T43-V61 HydrophobicContact CG2-CG2 4.15Å; T43-E63 WeakPolarHBondContact CG2-O 3.36Å; T43-W64 HydrophobicContact CG2-CE3 4.17Å; T43-G65 PolarHBondContact OG1-N 2.93Å; T43-W134 HydrophobicContact CG2-CE3 4.08Å; T43-W134 HydrophobicContact CG2-CZ3 3.59Å |
| 44 | E | 88.3 | Confident | 77.8 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.5 | 175.5 | -63.8 | -170.8 | 179.3 | 0 | 0 | 110.7 | Q62 E63 | E44-Q62 PolarHBondContact O-N 2.94Å; E44-E63 PolarHBondContact N-O 2.91Å; E44-E63 PolarHBondContact O-N 3.4Å |
| 45 | G | 86.6 | Confident | 76.1 | Confident | 21 Ų | 21 | 81 Ų | 81 | 22% | 0.216 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 169.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F59 T60 | G45-F59 VanDerWaalsContact CA-CZ 3.46Å; G45-T60 CarbonylContact C-O 3.52Å; G45-T60 WeakPolarHBondContact CA-O 3.45Å |
| 46 | M | 84.1 | Confident | 74.6 | Confident | 87 Ų | 87 | 87.7 Ų | 87.7 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.2 | -179.4 | 55 | 179.5 | -76.2 | 0 | 0 | 111.4 | L48 T60 Q62 | M46-L48 HydrophobicContact CE-CD2 4.49Å; M46-T60 PolarHBondContact N-O 2.98Å; M46-T60 PolarHBondContact O-N 3.29Å; M46-T60 PolarHBondContact O-OG1 3.44Å; M46-Q62 HydrophobicContact CG-CG 4.36Å; M46-Q62 PolarHBondContact SD-NE2 3.41Å |
| 47 | W | 81.9 | Confident | 73.5 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 11% | 0.114 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.8 | 172.5 | -71.8 | 100.1 | 0 | 0 | 0 | 110.6 | Q57 F59 I138 L151 L156 | W47-Q57 HydrophobicContact CE3-CB 3.74Å; W47-Q57 HydrophobicContact CZ3-CB 3.52Å; W47-F59 AromaticContact CD1-CD2 3.94Å; W47-F59 HydrophobicContact CD2-CB 4.2Å; W47-F59 AromaticContact CD2-CD2 3.94Å; W47-F59 HydrophobicContact CD2-CD2 3.94Å; W47-F59 AromaticContact CE2-CD2 3.75Å; W47-F59 HydrophobicContact CE3-CB 4.04Å; W47-F59 HydrophobicContact CG-CD2 4.07Å; W47-F59 HydrophobicContact CH2-CB 4.13Å; W47-F59 HydrophobicContact CZ2-CB 4.24Å; W47-F59 HydrophobicContact CZ2-CD2 4.3Å; W47-F59 HydrophobicContact CZ3-CB 4.01Å; W47-F59 AromaticContact NE1-CD2 3.72Å; W47-I138 WeakPolarHBondContact CZ2-O 3.47Å; W47-I138 PolarHBondContact NE1-O 2.92Å; W47-L151 HydrophobicContact CZ2-CD2 3.8Å; W47-L156 HydrophobicContact CH2-CD2 3.4Å; W47-L156 HydrophobicContact CZ2-CD2 3.91Å; W47-L156 HydrophobicContact CZ3-CD2 4.28Å |
| 48 | L | 75.3 | Confident | 73 | Confident | 83 Ų | 83 | 88.1 Ų | 88.1 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115 | 168.3 | -74.8 | 168.2 | 0 | 0 | 0 | 108.6 | M46 A50 R58 T60 | M46-L48 HydrophobicContact CE-CD2 4.49Å; L48-A50 PolarHBondContact O-N 3.45Å; L48-A50 VanDerWaalsContact O-N 3.09Å; L48-R58 PolarHBondContact N-O 2.98Å; L48-T60 HydrophobicContact CD1-CG2 3.37Å; L48-T60 HydrophobicContact CG-CG2 4.19Å |
| 49 | N | 64.5 | Low | 72.6 | Confident | 144 Ų | 144 | 82.2 Ų | 82.2 | 77% | 0.77 | 42% | 0.42 | S | S | * | . | trans | -72.7 | 99.2 | 168.5 | -75.4 | -31.9 | 0 | 0 | 0 | 108.9 | N51 | N49-N51 PolarHBondContact O-N 3.32Š| ||
| 50 | A | 52.4 | Low | 72.2 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 51% | 0.512 | 43% | 0.43 | S | S | . | . | trans | -66.3 | 129.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | L48 L52 | L48-A50 PolarHBondContact O-N 3.45Å; L48-A50 VanDerWaalsContact O-N 3.09Å; A50-L52 PolarHBondContact O-N 2.95Å | ||
| 51 | N | 50.4 | Low | 72 | Confident | 144 Ų | 144 | 85.3 Ų | 85.3 | 77% | 0.77 | 44% | 0.439 | S | S | * | . | trans | -49.6 | 105.9 | 178.3 | -98.7 | -14.4 | 0 | 0 | 0 | 112 | N49 T53 | N49-N51 PolarHBondContact O-N 3.32Å; N51-T53 PolarHBondContact O-N 3.02Å; N51-T53 PolarHBondContact O-OG1 3.39Å | ||
| 52 | L | 51.4 | Low | 71.7 | Confident | 173 Ų | 173 | 91.2 Ų | 91.2 | 91% | 0.906 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 39.9 | 11.5 | 142.1 | -93.1 | 157.1 | 0 | 0 | 0 | 121.2 | A50 | A50-L52 PolarHBondContact O-N 2.95Š|
| 53 | T | 49.6 | Very low | 71.4 | Confident | 132 Ų | 132 | 94.1 Ų | 94.1 | 81% | 0.81 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -131.2 | -12.9 | -175.7 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | N51 | N51-T53 PolarHBondContact O-N 3.02Å; N51-T53 PolarHBondContact O-OG1 3.39Å |
| 54 | V | 49.9 | Very low | 71.5 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 58% | 0.582 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -141 | 123.4 | 170.2 | -171.2 | 0 | 0 | 0 | 0 | 107 | R56 | V54-R56 HydrophobicContact CG1-CB 4.15Å; V54-R56 PolarHBondContact O-N 3.23Å |
| 55 | E | 52.2 | Low | 71.6 | Confident | 208 Ų | 208 | 91.2 Ų | 91.2 | 97% | 0.972 | 47% | 0.467 | S | S | * | . | trans | -67 | 46.6 | 176.6 | -63.5 | -175.1 | 149.8 | 0 | 0 | 112.6 | ||||
| 56 | R | 55.6 | Low | 72 | Confident | 141 Ų | 141 | 93.8 Ų | 93.8 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | trans | -111.6 | 92.3 | 179.6 | -128.5 | 167.5 | 176 | 178.8 | -7.4 | 109.2 | V54 R58 D155 E157 | V54-R56 HydrophobicContact CG1-CB 4.15Å; V54-R56 PolarHBondContact O-N 3.23Å; R56-R58 PolarHBondContact O-N 3.47Å; R56-D155 IonicContact NH2-OD2 3.74Å; R56-E157 WeakPolarHBondContact CD-OE1 3.32Å; R56-E157 IonicContact CZ-OE1 3.32Å; R56-E157 VanDerWaalsContact CZ-OE1 3.32Å; R56-E157 IonicContact NE-OE1 2.93Å; R56-E157 PolarHBondContact NE-OE1 3.48Å; R56-E157 IonicContact NH1-OE1 3.87Å; R56-E157 IonicContact NH2-OE1 3.84Å | ||
| 57 | Q | 65 | Low | 72.3 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | trans | -69.8 | 122.7 | 167.5 | -66.9 | 176.7 | -50.3 | 0 | 0 | 107.4 | W47 | W47-Q57 HydrophobicContact CE3-CB 3.74Å; W47-Q57 HydrophobicContact CZ3-CB 3.52Å | ||
| 58 | R | 74.8 | Confident | 72.8 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.6 | 179.6 | 179 | 176.3 | -178.2 | 158.8 | -2.1 | 109.2 | L48 R56 T60 E157 | L48-R58 PolarHBondContact N-O 2.98Å; R56-R58 PolarHBondContact O-N 3.47Å; R58-T60 HydrophobicContact CG-CG2 4.17Å; R58-E157 VanDerWaalsContact CD-OE2 3.28Å; R58-E157 WeakPolarHBondContact CD-OE2 3.29Å; R58-E157 HydrophobicContact CG-CB 4.18Å; R58-E157 IonicContact CZ-OE2 2.68Å; R58-E157 IonicContact NE-OE2 3.86Å; R58-E157 IonicContact NH1-OE2 3.35Å |
| 59 | F | 82.1 | Confident | 73.7 | Confident | 2 Ų | 2 | 92.9 Ų | 92.9 | 1% | 0.009 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126 | 170.5 | -172.7 | -103.3 | 0 | 0 | 0 | 109.2 | G45 W47 V61 W134 A137 I138 L156 L158 | G45-F59 VanDerWaalsContact CA-CZ 3.46Å; W47-F59 AromaticContact CD1-CD2 3.94Å; W47-F59 HydrophobicContact CD2-CB 4.2Å; W47-F59 AromaticContact CD2-CD2 3.94Å; W47-F59 HydrophobicContact CD2-CD2 3.94Å; W47-F59 AromaticContact CE2-CD2 3.75Å; W47-F59 HydrophobicContact CE3-CB 4.04Å; W47-F59 HydrophobicContact CG-CD2 4.07Å; W47-F59 HydrophobicContact CH2-CB 4.13Å; W47-F59 HydrophobicContact CZ2-CB 4.24Å; W47-F59 HydrophobicContact CZ2-CD2 4.3Å; W47-F59 HydrophobicContact CZ3-CB 4.01Å; W47-F59 AromaticContact NE1-CD2 3.72Å; F59-V61 HydrophobicContact CD1-CG2 4.21Å; F59-V61 HydrophobicContact CE1-CG2 3.93Å; F59-W134 HydrophobicContact CD1-CH2 4.37Å; F59-W134 AromaticContact CE1-CH2 3.78Å; F59-W134 HydrophobicContact CE1-CH2 3.78Å; F59-W134 AromaticContact CE1-CZ3 3.81Å; F59-W134 HydrophobicContact CE1-CZ3 3.81Å; F59-W134 HydrophobicContact CZ-CZ3 4.32Å; F59-A137 HydrophobicContact CZ-CB 4.42Å; F59-I138 HydrophobicContact CD1-CG2 4.46Å; F59-I138 HydrophobicContact CE1-CG2 4.05Å; F59-I138 HydrophobicContact CE2-CG2 4.24Å; F59-I138 HydrophobicContact CZ-CG2 3.92Å; F59-L156 HydrophobicContact CB-CB 4.31Å; F59-L156 HydrophobicContact CB-CD2 4.17Å; F59-L158 HydrophobicContact CD1-CD2 4.47Å |
| 60 | T | 83.2 | Confident | 75.1 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119.4 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | G45 M46 L48 R58 Q62 | G45-T60 CarbonylContact C-O 3.52Å; G45-T60 WeakPolarHBondContact CA-O 3.45Å; M46-T60 PolarHBondContact N-O 2.98Å; M46-T60 PolarHBondContact O-N 3.29Å; M46-T60 PolarHBondContact O-OG1 3.44Å; L48-T60 HydrophobicContact CD1-CG2 3.37Å; L48-T60 HydrophobicContact CG-CG2 4.19Å; R58-T60 HydrophobicContact CG-CG2 4.17Å; T60-Q62 PolarHBondContact O-N 2.93Å |
| 61 | V | 87.4 | Confident | 77.1 | Confident | 34 Ų | 34 | 91.7 Ų | 91.7 | 21% | 0.206 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 121.4 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | T43 F59 W64 L158 | T43-V61 HydrophobicContact CG2-CB 4.46Å; T43-V61 HydrophobicContact CG2-CG1 3.52Å; T43-V61 HydrophobicContact CG2-CG2 4.15Å; F59-V61 HydrophobicContact CD1-CG2 4.21Å; F59-V61 HydrophobicContact CE1-CG2 3.93Å; V61-W64 HydrophobicContact CB-CZ2 4.19Å; V61-W64 HydrophobicContact CG1-CD2 3.89Å; V61-W64 HydrophobicContact CG1-CE3 4.47Å; V61-W64 HydrophobicContact CG1-CG 4.12Å; V61-W64 HydrophobicContact CG1-CZ2 4.06Å; V61-W64 HydrophobicContact CG2-CH2 4.17Å; V61-W64 HydrophobicContact CG2-CZ2 4.02Å; V61-L158 HydrophobicContact CB-CD2 4.5Å; V61-L158 HydrophobicContact CG2-CD2 3.39Å |
| 62 | Q | 85.4 | Confident | 79.3 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.584 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -49.5 | 174.9 | -65.6 | -174 | -4.5 | 0 | 0 | 110.3 | E44 M46 T60 | E44-Q62 PolarHBondContact O-N 2.94Å; M46-Q62 HydrophobicContact CG-CG 4.36Å; M46-Q62 PolarHBondContact SD-NE2 3.41Å; T60-Q62 PolarHBondContact O-N 2.93Å |
| 63 | E | 89.1 | Confident | 81.4 | Confident | 133 Ų | 133 | 79.6 Ų | 79.6 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 128.4 | -176.4 | -172.7 | 167.5 | -176.5 | 0 | 0 | 109.9 | T43 E44 | T43-E63 WeakPolarHBondContact CG2-O 3.36Å; E44-E63 PolarHBondContact N-O 2.91Å; E44-E63 PolarHBondContact O-N 3.4Å |
| 64 | W | 91.7 | Very high | 83.6 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 146.6 | 173.9 | -68.4 | 88.7 | 0 | 0 | 0 | 110 | F35 R38 T43 V61 L160 | F35-W64 AromaticContact CD1-CH2 3.93Å; F35-W64 HydrophobicContact CD1-CH2 3.93Å; F35-W64 AromaticContact CD1-CZ3 3.85Å; F35-W64 HydrophobicContact CD1-CZ3 3.85Å; F35-W64 HydrophobicContact CE1-CH2 4.41Å; F35-W64 HydrophobicContact CE1-CZ3 4.43Å; R38-W64 HydrophobicContact CB-CD2 3.76Å; R38-W64 HydrophobicContact CB-CE3 3.69Å; R38-W64 HydrophobicContact CB-CG 4.16Å; R38-W64 HydrophobicContact CB-CZ3 4.17Å; R38-W64 HydrophobicContact CG-CD2 4.27Å; R38-W64 HydrophobicContact CG-CG 4.44Å; T43-W64 HydrophobicContact CG2-CE3 4.17Å; V61-W64 HydrophobicContact CB-CZ2 4.19Å; V61-W64 HydrophobicContact CG1-CD2 3.89Å; V61-W64 HydrophobicContact CG1-CE3 4.47Å; V61-W64 HydrophobicContact CG1-CG 4.12Å; V61-W64 HydrophobicContact CG1-CZ2 4.06Å; V61-W64 HydrophobicContact CG2-CH2 4.17Å; V61-W64 HydrophobicContact CG2-CZ2 4.02Å; W64-L160 HydrophobicContact CH2-CD1 3.5Å; W64-L160 VanDerWaalsContact CH2-CD1 3.5Å; W64-L160 HydrophobicContact CZ2-CD1 3.77Å |
| 65 | G | 91.6 | Very high | 85.8 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 162.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C39 L41 T43 E67 | C39-G65 PolarHBondContact O-N 3.08Å; C39-G65 VanDerWaalsContact O-N 3.11Å; L41-G65 VanDerWaalsContact O-CA 3.28Å; L41-G65 WeakPolarHBondContact O-CA 3.41Å; T43-G65 PolarHBondContact OG1-N 2.93Å; G65-E67 PolarHBondContact O-N 2.94Å |
| 66 | P | 93.8 | Very high | 88 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 49% | 0.494 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 125.5 | -179.3 | 26.9 | -32.4 | 0 | 0 | 0 | 110.7 | A68 A69 | P66-A68 PolarHBondContact O-N 3.35Å; P66-A69 HydrophobicContact CG-CB 4.13Å; P66-A69 WeakPolarHBondContact O-CB 3.39Å; P66-A69 PolarHBondContact O-N 3.4Å |
| 67 | E | 91.4 | Very high | 89.9 | Confident | 100 Ų | 100 | 60 Ų | 60 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54 | -31.1 | 179.2 | -65.8 | -176.5 | -171.6 | 0 | 0 | 112.9 | G65 A69 C70 R71 | G65-E67 PolarHBondContact O-N 2.94Å; E67-A69 VanDerWaalsContact C-N 3.26Å; E67-A69 PolarHBondContact O-N 3.09Å; E67-C70 PolarHBondContact O-N 3.04Å; E67-R71 WeakPolarHBondContact O-CB 3.32Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.19Å; E67-R71 PolarHBondContact O-N 2.97Å; E67-R71 IonicContact OE2-CZ 3.72Å; E67-R71 IonicContact OE2-NE 3.09Å; E67-R71 IonicContact OE2-NH1 2.65Å; E67-R71 PolarHBondContact OE2-NH1 3.05Å; E67-R71 IonicContact OE2-NH2 2.77Å; E67-R71 PolarHBondContact OE2-NH2 3.44Å |
| 68 | A | 92.2 | Very high | 91.5 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.4 | -33.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P66 F72 | P66-A68 PolarHBondContact O-N 3.35Å; A68-F72 WeakPolarHBondContact O-CB 3.32Å; A68-F72 PolarHBondContact O-N 3.39Å |
| 69 | A | 93.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -51.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F42 P66 E67 S73 I126 | F42-A69 HydrophobicContact CD2-CB 4.09Å; F42-A69 HydrophobicContact CE2-CB 4.07Å; P66-A69 HydrophobicContact CG-CB 4.13Å; P66-A69 WeakPolarHBondContact O-CB 3.39Å; P66-A69 PolarHBondContact O-N 3.4Å; E67-A69 VanDerWaalsContact C-N 3.26Å; E67-A69 PolarHBondContact O-N 3.09Å; A69-S73 PolarHBondContact O-N 3.15Å; A69-S73 PolarHBondContact O-OG 2.93Å; A69-I126 HydrophobicContact CB-CG2 3.83Å |
| 70 | C | 93.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 178 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | C39 E67 F72 S73 I74 | C39-C70 WeakPolarHBondContact CA-SG 3.42Å; C39-C70 HydrophobicContact CB-CB 3.78Å; C39-C70 WeakPolarHBondContact CB-SG 3.31Å; C39-C70 WeakPolarHBondContact SG-CB 3.42Å; C39-C70 PolarHBondContact SG-N 3.08Å; C39-C70 VanDerWaalsContact SG-N 3.35Å; C39-C70 CovalentContact SG-SG 2.04Å; C39-C70 PolarHBondContact SG-SG 3.16Å; E67-C70 PolarHBondContact O-N 3.04Å; C70-F72 VanDerWaalsContact C-N 3.34Å; C70-F72 PolarHBondContact O-N 3.06Å; C70-S73 PolarHBondContact O-N 3Å; C70-I74 WeakPolarHBondContact O-CG1 3.17Å; C70-I74 PolarHBondContact O-N 3.37Å; C70-I74 VanDerWaalsContact O-N 3.1Å |
| 71 | R | 94.8 | Very high | 94 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 60% | 0.6 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.2 | -38.8 | 178.8 | -72.9 | -178.2 | -179 | 168.2 | 11.1 | 112.5 | E67 I74 F75 | E67-R71 WeakPolarHBondContact O-CB 3.32Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.19Å; E67-R71 PolarHBondContact O-N 2.97Å; E67-R71 IonicContact OE2-CZ 3.72Å; E67-R71 IonicContact OE2-NE 3.09Å; E67-R71 IonicContact OE2-NH1 2.65Å; E67-R71 PolarHBondContact OE2-NH1 3.05Å; E67-R71 IonicContact OE2-NH2 2.77Å; E67-R71 PolarHBondContact OE2-NH2 3.44Å; R71-I74 PolarHBondContact O-N 3.47Å; R71-F75 VanDerWaalsContact O-CB 3.25Å; R71-F75 WeakPolarHBondContact O-CB 3.36Å; R71-F75 PolarHBondContact O-N 2.85Å |
| 72 | F | 96.3 | Very high | 94.5 | Very high | 63 Ų | 63 | 59.3 Ų | 59.3 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.5 | 177.6 | -98.8 | 0 | 0 | 0 | 111.8 | A68 C70 F75 T76 I119 I122 A123 I126 | A68-F72 WeakPolarHBondContact O-CB 3.32Å; A68-F72 PolarHBondContact O-N 3.39Å; C70-F72 VanDerWaalsContact C-N 3.34Å; C70-F72 PolarHBondContact O-N 3.06Å; F72-F75 PolarHBondContact O-N 2.73Å; F72-T76 WeakPolarHBondContact O-CB 3.23Å; F72-T76 PolarHBondContact O-N 2.82Å; F72-T76 PolarHBondContact O-OG1 3.49Å; F72-I119 HydrophobicContact CZ-CB 4.44Å; F72-I122 HydrophobicContact CE1-CB 4Å; F72-I122 HydrophobicContact CE1-CG2 3.6Å; F72-I122 HydrophobicContact CZ-CB 4.19Å; F72-I122 HydrophobicContact CZ-CG2 3.95Å; F72-A123 HydrophobicContact CD1-CB 4.26Å; F72-A123 HydrophobicContact CE1-CB 3.93Å; F72-I126 HydrophobicContact CD1-CD1 3.66Å; F72-I126 HydrophobicContact CE1-CD1 4.02Å |
| 73 | S | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | A69 C70 T76 G77 V127 | A69-S73 PolarHBondContact O-N 3.15Å; A69-S73 PolarHBondContact O-OG 2.93Å; C70-S73 PolarHBondContact O-N 3Å; S73-T76 PolarHBondContact O-N 3.5Å; S73-G77 PolarHBondContact O-N 2.97Å; S73-V127 VanDerWaalsContact OG-CG2 3.24Å; S73-V127 WeakPolarHBondContact OG-CG2 3.17Å |
| 74 | I | 95.9 | Very high | 95.3 | Very high | 41 Ų | 41 | 49 Ų | 49 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 174.6 | -65.5 | 167.8 | 0 | 0 | 0 | 110.6 | L28 C70 R71 T76 G77 L78 | L28-I74 HydrophobicContact CB-CD1 4.36Å; L28-I74 HydrophobicContact CB-CG1 3.68Å; L28-I74 HydrophobicContact CD1-CG1 4.34Å; C70-I74 WeakPolarHBondContact O-CG1 3.17Å; C70-I74 PolarHBondContact O-N 3.37Å; C70-I74 VanDerWaalsContact O-N 3.1Å; R71-I74 PolarHBondContact O-N 3.47Å; I74-T76 VanDerWaalsContact C-N 3.3Å; I74-T76 PolarHBondContact O-N 2.71Å; I74-G77 PolarHBondContact O-N 3.26Å; I74-L78 HydrophobicContact CG2-CD1 3.96Å; I74-L78 HydrophobicContact CG2-CG 4.41Å; I74-L78 WeakPolarHBondContact O-CG 3.39Å; I74-L78 PolarHBondContact O-N 3.02Å |
| 75 | F | 96.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 177.8 | 172.7 | -98.4 | 0 | 0 | 0 | 111.8 | R71 F72 L78 L79 | R71-F75 VanDerWaalsContact O-CB 3.25Å; R71-F75 WeakPolarHBondContact O-CB 3.36Å; R71-F75 PolarHBondContact O-N 2.85Å; F72-F75 PolarHBondContact O-N 2.73Å; F75-L78 PolarHBondContact O-N 2.95Å; F75-L79 HydrophobicContact CE1-CD2 4.04Å; F75-L79 HydrophobicContact CZ-CD2 4.21Å; F75-L79 WeakPolarHBondContact O-CB 3.36Å; F75-L79 PolarHBondContact O-N 3.47Å |
| 76 | T | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | F72 S73 I74 L79 S80 I119 A123 | F72-T76 WeakPolarHBondContact O-CB 3.23Å; F72-T76 PolarHBondContact O-N 2.82Å; F72-T76 PolarHBondContact O-OG1 3.49Å; S73-T76 PolarHBondContact O-N 3.5Å; I74-T76 VanDerWaalsContact C-N 3.3Å; I74-T76 PolarHBondContact O-N 2.71Å; T76-L79 PolarHBondContact O-N 3.42Å; T76-S80 VanDerWaalsContact O-CB 3.23Å; T76-S80 WeakPolarHBondContact O-CB 3.35Å; T76-S80 PolarHBondContact O-N 3.42Å; T76-I119 HydrophobicContact CG2-CB 4.37Å; T76-I119 HydrophobicContact CG2-CD1 4.29Å; T76-I119 HydrophobicContact CG2-CG1 4.02Å; T76-A123 HydrophobicContact CG2-CB 3.79Å |
| 77 | G | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S73 I74 S80 L81 | S73-G77 PolarHBondContact O-N 2.97Å; I74-G77 PolarHBondContact O-N 3.26Å; G77-S80 PolarHBondContact O-N 2.96Å; G77-L81 VanDerWaalsContact O-CB 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.27Å; G77-L81 PolarHBondContact O-N 2.96Å |
| 78 | L | 97.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 47 Ų | 47 | 39% | 0.387 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 178.1 | -74.3 | 172 | 0 | 0 | 0 | 112.5 | V25 I74 F75 S80 L81 L82 | V25-L78 HydrophobicContact CB-CD2 4.49Å; V25-L78 HydrophobicContact CG1-CD2 3.59Å; V25-L78 HydrophobicContact CG1-CG 4.16Å; V25-L78 HydrophobicContact CG2-CD2 4.01Å; V25-L78 HydrophobicContact CG2-CG 4.05Å; I74-L78 HydrophobicContact CG2-CD1 3.96Å; I74-L78 HydrophobicContact CG2-CG 4.41Å; I74-L78 WeakPolarHBondContact O-CG 3.39Å; I74-L78 PolarHBondContact O-N 3.02Å; F75-L78 PolarHBondContact O-N 2.95Å; L78-S80 VanDerWaalsContact C-N 3.34Å; L78-S80 PolarHBondContact O-N 3.46Å; L78-L81 PolarHBondContact O-N 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.46Å |
| 79 | L | 97.7 | Very high | 95.4 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.7 | 178 | 61.4 | 0 | 0 | 0 | 110.7 | F75 T76 L82 L83 F115 I119 | F75-L79 HydrophobicContact CE1-CD2 4.04Å; F75-L79 HydrophobicContact CZ-CD2 4.21Å; F75-L79 WeakPolarHBondContact O-CB 3.36Å; F75-L79 PolarHBondContact O-N 3.47Å; T76-L79 PolarHBondContact O-N 3.42Å; L79-L82 PolarHBondContact O-N 2.87Å; L79-L83 HydrophobicContact CD1-CD1 3.82Å; L79-L83 HydrophobicContact CD1-CG 4.11Å; L79-L83 HydrophobicContact CG-CD1 3.94Å; L79-L83 WeakPolarHBondContact O-CB 3.32Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.35Å; L79-L83 PolarHBondContact O-N 3.41Å; L79-F115 HydrophobicContact CD2-CE1 4.32Å; L79-I119 HydrophobicContact CD2-CD1 3.45Å; L79-I119 VanDerWaalsContact CD2-CD1 3.45Å; L79-I119 HydrophobicContact CG-CD1 4.4Å |
| 80 | S | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | S21 T76 G77 L78 L83 A84 W183 | S21-S80 WeakPolarHBondContact OG-CB 3.31Å; S21-S80 PolarHBondContact OG-OG 3.04Å; T76-S80 VanDerWaalsContact O-CB 3.23Å; T76-S80 WeakPolarHBondContact O-CB 3.35Å; T76-S80 PolarHBondContact O-N 3.42Å; G77-S80 PolarHBondContact O-N 2.96Å; L78-S80 VanDerWaalsContact C-N 3.34Å; L78-S80 PolarHBondContact O-N 3.46Å; S80-L83 PolarHBondContact O-N 2.92Å; S80-A84 WeakPolarHBondContact O-CB 3.36Å; S80-A84 PolarHBondContact O-N 3.23Å; S80-W183 PolarHBondContact OG-NE1 2.94Å |
| 81 | L | 97.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 178.1 | -175.5 | 72.5 | 0 | 0 | 0 | 112.2 | F18 F22 G77 L78 A84 T85 | F18-L81 HydrophobicContact CD2-CD1 3.44Å; F18-L81 VanDerWaalsContact CD2-CD1 3.44Å; F18-L81 HydrophobicContact CD2-CG 4.32Å; F18-L81 HydrophobicContact CE2-CD1 3.58Å; F18-L81 HydrophobicContact CE2-CG 4.35Å; F18-L81 HydrophobicContact CG-CD1 4.16Å; F18-L81 HydrophobicContact CZ-CD1 4.39Å; F18-L81 WeakPolarHBondContact O-CD1 3.34Å; F22-L81 HydrophobicContact CB-CD1 3.94Å; G77-L81 VanDerWaalsContact O-CB 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.27Å; G77-L81 PolarHBondContact O-N 2.96Å; L78-L81 PolarHBondContact O-N 3.23Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-T85 WeakPolarHBondContact O-CB 3.26Å; L81-T85 PolarHBondContact O-N 3.09Å; L81-T85 PolarHBondContact O-OG1 3.21Å |
| 82 | L | 97.2 | Very high | 94.3 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 59% | 0.592 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 179.9 | -71.2 | 173.9 | 0 | 0 | 0 | 111.3 | L78 L79 T85 V86 | L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 2.87Å; L82-T85 PolarHBondContact O-N 3.41Å; L82-V86 WeakPolarHBondContact O-CG2 3.34Å; L82-V86 PolarHBondContact O-N 3.1Å |
| 83 | L | 96 | Very high | 93.8 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 178.3 | -69.9 | 174.3 | 0 | 0 | 0 | 111.4 | L79 S80 T85 V86 Q87 I112 V116 W183 | L79-L83 HydrophobicContact CD1-CD1 3.82Å; L79-L83 HydrophobicContact CD1-CG 4.11Å; L79-L83 HydrophobicContact CG-CD1 3.94Å; L79-L83 WeakPolarHBondContact O-CB 3.32Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.35Å; L79-L83 PolarHBondContact O-N 3.41Å; S80-L83 PolarHBondContact O-N 2.92Å; L83-T85 VanDerWaalsContact C-N 3.3Å; L83-T85 PolarHBondContact O-N 3.32Å; L83-V86 PolarHBondContact O-N 3.44Å; L83-Q87 VanDerWaalsContact O-CB 3.32Å; L83-Q87 WeakPolarHBondContact O-CB 3.34Å; L83-Q87 WeakPolarHBondContact O-CG 3.49Å; L83-Q87 PolarHBondContact O-N 3.4Å; L83-I112 HydrophobicContact CD1-CG2 4.11Å; L83-I112 HydrophobicContact CD2-CG2 4.34Å; L83-V116 HydrophobicContact CD1-CG2 3.36Å; L83-W183 HydrophobicContact CB-CH2 3.98Å; L83-W183 HydrophobicContact CB-CZ2 4.2Å |
| 84 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A17 F18 S80 L81 Q87 A88 W183 | A17-A84 HydrophobicContact CB-CB 3.97Å; F18-A84 HydrophobicContact CB-CB 4.04Å; S80-A84 WeakPolarHBondContact O-CB 3.36Å; S80-A84 PolarHBondContact O-N 3.23Å; L81-A84 PolarHBondContact O-N 3.25Å; A84-Q87 PolarHBondContact O-N 3.15Å; A84-A88 WeakPolarHBondContact O-CB 3.49Å; A84-A88 PolarHBondContact O-N 3.47Å; A84-W183 HydrophobicContact CB-CZ2 4.18Å |
| 85 | T | 94.7 | Very high | 92.5 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | F18 L81 L82 L83 Q87 A88 W89 | F18-T85 VanDerWaalsContact CD2-OG1 3.3Å; F18-T85 WeakPolarHBondContact CD2-OG1 3.39Å; L81-T85 WeakPolarHBondContact O-CB 3.26Å; L81-T85 PolarHBondContact O-N 3.09Å; L81-T85 PolarHBondContact O-OG1 3.21Å; L82-T85 PolarHBondContact O-N 3.41Å; L83-T85 VanDerWaalsContact C-N 3.3Å; L83-T85 PolarHBondContact O-N 3.32Å; T85-Q87 VanDerWaalsContact C-N 3.31Å; T85-Q87 PolarHBondContact O-N 3Å; T85-A88 PolarHBondContact O-N 3.09Å; T85-W89 WeakPolarHBondContact O-CB 3.36Å; T85-W89 PolarHBondContact O-N 3.34Å |
| 86 | V | 94.4 | Very high | 91.9 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 180 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L82 L83 R90 | L82-V86 WeakPolarHBondContact O-CG2 3.34Å; L82-V86 PolarHBondContact O-N 3.1Å; L83-V86 PolarHBondContact O-N 3.44Å; V86-R90 WeakPolarHBondContact O-CB 3.35Å; V86-R90 PolarHBondContact O-N 3.47Å |
| 87 | Q | 92.1 | Very high | 91.2 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.3 | -35.4 | -178.4 | -62 | -68.5 | 41.1 | 0 | 0 | 113 | Y14 L83 A84 T85 R90 T91 N109 | Y14-Q87 HydrophobicContact CD1-CB 3.62Å; Y14-Q87 HydrophobicContact CD1-CG 4.47Å; Y14-Q87 HydrophobicContact CD2-CB 4.04Å; Y14-Q87 HydrophobicContact CE1-CB 3.43Å; Y14-Q87 VanDerWaalsContact CE1-CB 3.43Å; Y14-Q87 HydrophobicContact CE1-CG 3.92Å; Y14-Q87 HydrophobicContact CE2-CB 3.89Å; Y14-Q87 HydrophobicContact CG-CB 3.93Å; L83-Q87 VanDerWaalsContact O-CB 3.32Å; L83-Q87 WeakPolarHBondContact O-CB 3.34Å; L83-Q87 WeakPolarHBondContact O-CG 3.49Å; L83-Q87 PolarHBondContact O-N 3.4Å; A84-Q87 PolarHBondContact O-N 3.15Å; T85-Q87 VanDerWaalsContact C-N 3.31Å; T85-Q87 PolarHBondContact O-N 3Å; Q87-R90 PolarHBondContact O-N 2.96Å; Q87-T91 VanDerWaalsContact O-CB 3.31Å; Q87-T91 WeakPolarHBondContact O-CB 3.44Å; Q87-T91 PolarHBondContact O-N 3.43Å; Q87-T91 PolarHBondContact O-OG1 3.29Å; Q87-N109 PolarHBondContact NE2-OD1 3.34Å |
| 88 | A | 90.4 | Very high | 90 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | A84 T85 R90 T91 L92 | A84-A88 WeakPolarHBondContact O-CB 3.49Å; A84-A88 PolarHBondContact O-N 3.47Å; T85-A88 PolarHBondContact O-N 3.09Å; A88-R90 PolarHBondContact O-N 3.26Å; A88-T91 PolarHBondContact O-N 3.47Å; A88-L92 VanDerWaalsContact O-CB 3.32Å; A88-L92 WeakPolarHBondContact O-CB 3.24Å; A88-L92 PolarHBondContact O-N 3.36Å |
| 89 | W | 90.8 | Very high | 88.9 | Confident | 186 Ų | 186 | 66.7 Ų | 66.7 | 71% | 0.705 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.6 | -48.8 | 176.3 | 173.9 | -98 | 0 | 0 | 0 | 112 | T85 T91 L92 F93 | T85-W89 WeakPolarHBondContact O-CB 3.36Å; T85-W89 PolarHBondContact O-N 3.34Å; W89-T91 PolarHBondContact O-N 3.39Å; W89-L92 PolarHBondContact O-N 2.84Å; W89-F93 WeakPolarHBondContact O-CB 3.42Å; W89-F93 PolarHBondContact O-N 3.31Å |
| 90 | R | 88.8 | Confident | 87.4 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 177.7 | 177.7 | -176.7 | 168.5 | 136.9 | 10.4 | 111.6 | V86 Q87 A88 L92 F93 F94 D101 | V86-R90 WeakPolarHBondContact O-CB 3.35Å; V86-R90 PolarHBondContact O-N 3.47Å; Q87-R90 PolarHBondContact O-N 2.96Å; A88-R90 PolarHBondContact O-N 3.26Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-L92 PolarHBondContact O-N 3.04Å; R90-F93 PolarHBondContact O-N 3.46Å; R90-F94 HydrophobicContact CG-CD2 3.91Å; R90-F94 HydrophobicContact CG-CE2 3.52Å; R90-F94 HydrophobicContact CG-CZ 4.2Å; R90-F94 VanDerWaalsContact NE-CE2 3.26Å; R90-F94 WeakPolarHBondContact O-CD2 3.39Å; R90-F94 PolarHBondContact O-N 3.24Å; R90-D101 IonicContact CZ-OD1 3.59Å; R90-D101 IonicContact NE-OD1 3.84Å; R90-D101 IonicContact NH2-OD1 3.98Å; R90-D101 PolarHBondContact NH2-OD1 3.07Å |
| 91 | T | 85.4 | Confident | 86.1 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | -179 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | L7 Q10 C11 Q87 A88 W89 F94 L95 | L7-T91 HydrophobicContact CD2-CG2 4.24Å; L7-T91 WeakPolarHBondContact O-CG2 3.49Å; Q10-T91 HydrophobicContact CB-CG2 4.41Å; C11-T91 HydrophobicContact CB-CG2 3.96Å; Q87-T91 VanDerWaalsContact O-CB 3.31Å; Q87-T91 WeakPolarHBondContact O-CB 3.44Å; Q87-T91 PolarHBondContact O-N 3.43Å; Q87-T91 PolarHBondContact O-OG1 3.29Å; A88-T91 PolarHBondContact O-N 3.47Å; W89-T91 PolarHBondContact O-N 3.39Å; T91-F94 PolarHBondContact O-N 3.43Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 PolarHBondContact O-N 2.93Å |
| 92 | L | 85.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.5 | -175.1 | 68.7 | 0 | 0 | 0 | 111.6 | A88 W89 R90 F94 L95 C96 | A88-L92 VanDerWaalsContact O-CB 3.32Å; A88-L92 WeakPolarHBondContact O-CB 3.24Å; A88-L92 PolarHBondContact O-N 3.36Å; W89-L92 PolarHBondContact O-N 2.84Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-L92 PolarHBondContact O-N 3.04Å; L92-F94 VanDerWaalsContact C-N 3.34Å; L92-F94 PolarHBondContact O-N 2.85Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-C96 PolarHBondContact O-N 2.88Å; L92-C96 PolarHBondContact O-SG 2.91Å; L92-C96 VanDerWaalsContact O-SG 3.34Å |
| 93 | F | 85.7 | Confident | 84.6 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 38% | 0.382 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 177.9 | 178 | -96.4 | 0 | 0 | 0 | 112.3 | W89 R90 C96 K97 | W89-F93 WeakPolarHBondContact O-CB 3.42Å; W89-F93 PolarHBondContact O-N 3.31Å; R90-F93 PolarHBondContact O-N 3.46Å; F93-C96 PolarHBondContact O-N 3.48Å; F93-K97 HydrophobicContact CE1-CD 3.9Å; F93-K97 HydrophobicContact CE2-CD 3.84Å; F93-K97 HydrophobicContact CE2-CG 4.37Å; F93-K97 HydrophobicContact CZ-CD 3.44Å; F93-K97 VanDerWaalsContact CZ-CD 3.44Å; F93-K97 HydrophobicContact CZ-CG 4.29Å; F93-K97 PolarHBondContact O-N 2.88Å |
| 94 | F | 82.4 | Confident | 84 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 13% | 0.127 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 175.7 | -68.5 | -36.7 | 0 | 0 | 0 | 113.4 | R90 T91 L92 C96 K97 G98 H99 D101 | R90-F94 HydrophobicContact CG-CD2 3.91Å; R90-F94 HydrophobicContact CG-CE2 3.52Å; R90-F94 HydrophobicContact CG-CZ 4.2Å; R90-F94 VanDerWaalsContact NE-CE2 3.26Å; R90-F94 WeakPolarHBondContact O-CD2 3.39Å; R90-F94 PolarHBondContact O-N 3.24Å; T91-F94 PolarHBondContact O-N 3.43Å; L92-F94 VanDerWaalsContact C-N 3.34Å; L92-F94 PolarHBondContact O-N 2.85Å; F94-C96 VanDerWaalsContact C-N 3.28Å; F94-C96 PolarHBondContact O-N 3.45Å; F94-K97 PolarHBondContact O-N 2.95Å; F94-G98 WeakPolarHBondContact O-CA 3.14Å; F94-G98 PolarHBondContact O-N 3.24Å; F94-H99 HydrophobicContact CD1-CB 3.76Å; F94-H99 HydrophobicContact CE1-CB 4.14Å; F94-H99 AromaticContact CE1-CD2 3.97Å; F94-D101 WeakPolarHBondContact CE2-OD1 3.48Å |
| 95 | L | 81.5 | Confident | 83.4 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 172.4 | -156.5 | 95 | 0 | 0 | 0 | 111.1 | L7 T91 L92 | L7-L95 HydrophobicContact CB-CD1 3.93Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 PolarHBondContact O-N 2.93Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 PolarHBondContact O-N 3.49Å |
| 96 | C | 83.6 | Confident | 83.1 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75.2 | -36.8 | 179.7 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | L92 F93 F94 | L92-C96 PolarHBondContact O-N 2.88Å; L92-C96 PolarHBondContact O-SG 2.91Å; L92-C96 VanDerWaalsContact O-SG 3.34Å; F93-C96 PolarHBondContact O-N 3.48Å; F94-C96 VanDerWaalsContact C-N 3.28Å; F94-C96 PolarHBondContact O-N 3.45Å |
| 97 | K | 83.1 | Confident | 82.9 | Confident | 149 Ų | 149 | 79.8 Ų | 79.8 | 65% | 0.648 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -93 | -12 | -178.1 | -78.4 | -159.1 | 179.4 | 178.3 | 0 | 114.9 | F93 F94 | F93-K97 HydrophobicContact CE1-CD 3.9Å; F93-K97 HydrophobicContact CE2-CD 3.84Å; F93-K97 HydrophobicContact CE2-CG 4.37Å; F93-K97 HydrophobicContact CZ-CD 3.44Å; F93-K97 VanDerWaalsContact CZ-CD 3.44Å; F93-K97 HydrophobicContact CZ-CG 4.29Å; F93-K97 PolarHBondContact O-N 2.88Å; F94-K97 PolarHBondContact O-N 2.95Å |
| 98 | G | 72.9 | Confident | 82.8 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 68% | 0.68 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 32.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | F94 | F94-G98 WeakPolarHBondContact O-CA 3.14Å; F94-G98 PolarHBondContact O-N 3.24Å |
| 99 | H | 73 | Confident | 82.8 | Confident | 121 Ų | 121 | 81.6 Ų | 81.6 | 56% | 0.56 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 139.2 | 179.9 | -159.7 | 68.5 | 0 | 0 | 0 | 111.3 | F94 | F94-H99 HydrophobicContact CD1-CB 3.76Å; F94-H99 HydrophobicContact CE1-CB 4.14Å; F94-H99 AromaticContact CE1-CD2 3.97Å |
| 100 | E | 66.9 | Low | 83 | Confident | 147 Ų | 147 | 74.1 Ų | 74.1 | 69% | 0.687 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 133.8 | 175 | -60.3 | -162.9 | 162.2 | 0 | 0 | 110.7 | L3 | L3-E100 HydrophobicContact CD2-CG 4.42Š|
| 101 | D | 71 | Confident | 83.3 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 16% | 0.16 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -74 | 134.6 | 174.9 | -84.6 | -55 | 0 | 0 | 0 | 110.5 | R90 F94 K193 | R90-D101 IonicContact CZ-OD1 3.59Å; R90-D101 IonicContact NE-OD1 3.84Å; R90-D101 IonicContact NH2-OD1 3.98Å; R90-D101 PolarHBondContact NH2-OD1 3.07Å; F94-D101 WeakPolarHBondContact CE2-OD1 3.48Å; D101-K193 IonicContact OD2-NZ 3.77Å; D101-K193 PolarHBondContact OD2-NZ 2.89Å |
| 102 | S | 81.3 | Confident | 83.8 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 148 | 169.5 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | F104 Y105 A106 | S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 PolarHBondContact O-N 3.35Å; S102-Y105 WeakPolarHBondContact O-CB 3.06Å; S102-Y105 PolarHBondContact O-N 3.05Å; S102-A106 PolarHBondContact O-N 3.46Å; S102-A106 VanDerWaalsContact O-N 3.13Å |
| 103 | F | 81.3 | Confident | 84.2 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -48 | -45.1 | 175.7 | 172.9 | -98.9 | 0 | 0 | 0 | 113.2 | Y105 A106 F107 V194 N197 E201 | F103-Y105 VanDerWaalsContact C-N 3.3Å; F103-Y105 PolarHBondContact O-N 3.42Å; F103-A106 WeakPolarHBondContact O-CB 3.42Å; F103-A106 PolarHBondContact O-N 3.19Å; F103-A106 VanDerWaalsContact O-N 3.09Å; F103-F107 PolarHBondContact O-N 3.26Å; F103-V194 HydrophobicContact CE2-CG1 3.84Å; F103-V194 HydrophobicContact CZ-CG1 4.42Å; F103-N197 HydrophobicContact CD2-CB 4.18Å; F103-E201 WeakPolarHBondContact CB-OE1 3.11Å |
| 104 | F | 82.6 | Confident | 84.8 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 53% | 0.531 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 179.6 | -179 | -105.5 | 0 | 0 | 0 | 112.5 | S102 F107 L108 | S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 PolarHBondContact O-N 3.35Å; F104-F107 PolarHBondContact O-N 3.32Å; F104-L108 HydrophobicContact CD1-CD1 3.89Å; F104-L108 HydrophobicContact CD1-CG 4.39Å; F104-L108 HydrophobicContact CE1-CD1 3.32Å; F104-L108 HydrophobicContact CE1-CG 4.01Å; F104-L108 HydrophobicContact CE2-CG 4.47Å; F104-L108 HydrophobicContact CZ-CD1 3.72Å; F104-L108 HydrophobicContact CZ-CD2 4.3Å; F104-L108 HydrophobicContact CZ-CG 4.05Å; F104-L108 WeakPolarHBondContact O-CG 3.3Å; F104-L108 PolarHBondContact O-N 2.91Å |
| 105 | Y | 84.6 | Confident | 85.5 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 175.8 | -76.4 | -66.7 | 0 | 0 | 0 | 112.4 | S102 F103 F107 L108 N109 | S102-Y105 WeakPolarHBondContact O-CB 3.06Å; S102-Y105 PolarHBondContact O-N 3.05Å; F103-Y105 VanDerWaalsContact C-N 3.3Å; F103-Y105 PolarHBondContact O-N 3.42Å; Y105-F107 VanDerWaalsContact C-N 3.31Å; Y105-L108 PolarHBondContact O-N 3.19Å; Y105-N109 WeakPolarHBondContact O-CB 3.35Å; Y105-N109 PolarHBondContact O-N 2.63Å |
| 106 | A | 87.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | S102 F103 N109 L110 V194 | S102-A106 PolarHBondContact O-N 3.46Å; S102-A106 VanDerWaalsContact O-N 3.13Å; F103-A106 WeakPolarHBondContact O-CB 3.42Å; F103-A106 PolarHBondContact O-N 3.19Å; F103-A106 VanDerWaalsContact O-N 3.09Å; A106-N109 PolarHBondContact O-N 2.63Å; A106-L110 PolarHBondContact O-N 3.45Å; A106-L110 VanDerWaalsContact O-N 3.07Å; A106-V194 HydrophobicContact CB-CG2 3.69Å; A106-V194 WeakPolarHBondContact O-CG2 3.37Å |
| 107 | F | 89.4 | Confident | 87 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 176 | 179.4 | -101 | 0 | 0 | 0 | 112.6 | F103 F104 Y105 N109 L110 L111 | F103-F107 PolarHBondContact O-N 3.26Å; F104-F107 PolarHBondContact O-N 3.32Å; Y105-F107 VanDerWaalsContact C-N 3.31Å; F107-N109 VanDerWaalsContact C-N 3.32Å; F107-N109 PolarHBondContact O-N 3.15Å; F107-L110 WeakPolarHBondContact O-CB 3.22Å; F107-L110 PolarHBondContact O-N 3.19Å; F107-L111 PolarHBondContact O-N 2.98Å |
| 108 | L | 90.6 | Very high | 87.7 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.2 | -75.6 | -178.7 | 0 | 0 | 0 | 112.3 | F104 Y105 L110 L111 I112 | F104-L108 HydrophobicContact CD1-CD1 3.89Å; F104-L108 HydrophobicContact CD1-CG 4.39Å; F104-L108 HydrophobicContact CE1-CD1 3.32Å; F104-L108 HydrophobicContact CE1-CG 4.01Å; F104-L108 HydrophobicContact CE2-CG 4.47Å; F104-L108 HydrophobicContact CZ-CD1 3.72Å; F104-L108 HydrophobicContact CZ-CD2 4.3Å; F104-L108 HydrophobicContact CZ-CG 4.05Å; F104-L108 WeakPolarHBondContact O-CG 3.3Å; F104-L108 PolarHBondContact O-N 2.91Å; Y105-L108 PolarHBondContact O-N 3.19Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.04Å; L108-L111 PolarHBondContact O-N 3.28Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.25Å; L108-I112 PolarHBondContact O-N 3.25Å |
| 109 | N | 91.1 | Very high | 88.9 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 177.1 | -170.5 | 33 | 0 | 0 | 0 | 111.6 | Y14 Q87 Y105 A106 F107 I112 S113 | Y14-N109 PolarHBondContact OH-ND2 2.81Å; Y14-N109 PolarHBondContact OH-OD1 3.46Å; Y14-N109 VanDerWaalsContact OH-OD1 3.08Å; Q87-N109 PolarHBondContact NE2-OD1 3.34Å; Y105-N109 WeakPolarHBondContact O-CB 3.35Å; Y105-N109 PolarHBondContact O-N 2.63Å; A106-N109 PolarHBondContact O-N 2.63Å; F107-N109 VanDerWaalsContact C-N 3.32Å; F107-N109 PolarHBondContact O-N 3.15Å; N109-I112 PolarHBondContact O-N 3.33Å; N109-S113 WeakPolarHBondContact O-CB 3.32Å; N109-S113 PolarHBondContact O-N 3.36Å; N109-S113 PolarHBondContact O-OG 2.94Å |
| 110 | L | 94.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.9 | 174.1 | 63.4 | 0 | 0 | 0 | 112 | A106 F107 L108 S113 A114 T187 A190 F191 V194 | A106-L110 PolarHBondContact O-N 3.45Å; A106-L110 VanDerWaalsContact O-N 3.07Å; F107-L110 WeakPolarHBondContact O-CB 3.22Å; F107-L110 PolarHBondContact O-N 3.19Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.04Å; L110-S113 PolarHBondContact O-N 2.92Å; L110-S113 PolarHBondContact O-OG 2.85Å; L110-S113 VanDerWaalsContact O-OG 3.06Å; L110-A114 VanDerWaalsContact O-CB 3.29Å; L110-A114 WeakPolarHBondContact O-CB 3.5Å; L110-A114 PolarHBondContact O-N 3.07Å; L110-T187 HydrophobicContact CD1-CG2 3.81Å; L110-A190 HydrophobicContact CB-CB 4.16Å; L110-A190 HydrophobicContact CD1-CB 4.2Å; L110-F191 HydrophobicContact CD1-CB 3.93Å; L110-F191 HydrophobicContact CD2-CB 4.49Å; L110-F191 HydrophobicContact CD2-CD2 4.21Å; L110-V194 HydrophobicContact CB-CG2 4.38Å; L110-V194 HydrophobicContact CD2-CG2 4.34Å |
| 111 | L | 95.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 57.3 Ų | 57.3 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 178.6 | -175.2 | 68.1 | 0 | 0 | 0 | 111.5 | F107 L108 A114 F115 | F107-L111 PolarHBondContact O-N 2.98Å; L108-L111 PolarHBondContact O-N 3.28Å; L111-A114 PolarHBondContact O-N 2.94Å; L111-F115 WeakPolarHBondContact O-CB 3.47Å; L111-F115 PolarHBondContact O-N 2.88Å |
| 112 | I | 95 | Very high | 92.9 | Very high | 67 Ų | 67 | 58.5 Ų | 58.5 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 178 | -67.4 | 166.5 | 0 | 0 | 0 | 110.2 | L83 L108 N109 A114 F115 V116 | L83-I112 HydrophobicContact CD1-CG2 4.11Å; L83-I112 HydrophobicContact CD2-CG2 4.34Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.25Å; L108-I112 PolarHBondContact O-N 3.25Å; N109-I112 PolarHBondContact O-N 3.33Å; I112-A114 PolarHBondContact O-N 3.48Å; I112-F115 WeakPolarHBondContact O-CB 3.5Å; I112-F115 PolarHBondContact O-N 3.21Å; I112-V116 HydrophobicContact CG2-CG2 4.44Å; I112-V116 WeakPolarHBondContact O-CG2 3.39Å; I112-V116 PolarHBondContact O-N 3.26Å |
| 113 | S | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | -179.2 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | N109 L110 F115 V116 V117 T187 | N109-S113 WeakPolarHBondContact O-CB 3.32Å; N109-S113 PolarHBondContact O-N 3.36Å; N109-S113 PolarHBondContact O-OG 2.94Å; L110-S113 PolarHBondContact O-N 2.92Å; L110-S113 PolarHBondContact O-OG 2.85Å; L110-S113 VanDerWaalsContact O-OG 3.06Å; S113-F115 VanDerWaalsContact C-N 3.35Å; S113-F115 PolarHBondContact O-N 3.03Å; S113-V116 PolarHBondContact O-N 3.39Å; S113-V117 WeakPolarHBondContact O-CG2 3.46Å; S113-V117 PolarHBondContact O-N 2.92Å; S113-T187 VanDerWaalsContact CB-OG1 3.31Å; S113-T187 WeakPolarHBondContact CB-OG1 3.27Å; S113-T187 PolarHBondContact O-OG1 2.93Å; S113-T187 WeakPolarHBondContact OG-CA 3.5Å; S113-T187 PolarHBondContact OG-OG1 3.11Å |
| 114 | A | 97.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 36% | 0.355 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L110 L111 I112 V117 F118 T187 | L110-A114 VanDerWaalsContact O-CB 3.29Å; L110-A114 WeakPolarHBondContact O-CB 3.5Å; L110-A114 PolarHBondContact O-N 3.07Å; L111-A114 PolarHBondContact O-N 2.94Å; I112-A114 PolarHBondContact O-N 3.48Å; A114-V117 PolarHBondContact O-N 3.46Å; A114-F118 PolarHBondContact O-N 3.49Å; A114-F118 VanDerWaalsContact O-N 3.11Å; A114-T187 HydrophobicContact CB-CG2 4.21Å |
| 115 | F | 97.7 | Very high | 95.2 | Very high | 117 Ų | 117 | 49.1 Ų | 49.1 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 174 | 177.5 | -103.9 | 0 | 0 | 0 | 111.7 | L79 L111 I112 S113 V117 F118 I119 | L79-F115 HydrophobicContact CD2-CE1 4.32Å; L111-F115 WeakPolarHBondContact O-CB 3.47Å; L111-F115 PolarHBondContact O-N 2.88Å; I112-F115 WeakPolarHBondContact O-CB 3.5Å; I112-F115 PolarHBondContact O-N 3.21Å; S113-F115 VanDerWaalsContact C-N 3.35Å; S113-F115 PolarHBondContact O-N 3.03Å; F115-V117 PolarHBondContact O-N 3.39Å; F115-F118 WeakPolarHBondContact O-CB 3.34Å; F115-F118 PolarHBondContact O-N 3.29Å; F115-I119 HydrophobicContact CD1-CD1 4.34Å; F115-I119 HydrophobicContact CD2-CG2 4.49Å; F115-I119 HydrophobicContact CE1-CD1 3.97Å; F115-I119 HydrophobicContact CE1-CG2 4.12Å; F115-I119 HydrophobicContact CE2-CG2 3.97Å; F115-I119 HydrophobicContact CZ-CG2 3.76Å; F115-I119 WeakPolarHBondContact O-CG1 3.4Å; F115-I119 PolarHBondContact O-N 2.93Å; F115-I119 VanDerWaalsContact O-N 3.07Å |
| 116 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 178 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | L83 I112 S113 F118 I119 T120 W183 | L83-V116 HydrophobicContact CD1-CG2 3.36Å; I112-V116 HydrophobicContact CG2-CG2 4.44Å; I112-V116 WeakPolarHBondContact O-CG2 3.39Å; I112-V116 PolarHBondContact O-N 3.26Å; S113-V116 PolarHBondContact O-N 3.39Å; V116-F118 VanDerWaalsContact C-N 3.29Å; V116-F118 PolarHBondContact O-N 2.85Å; V116-I119 VanDerWaalsContact O-CG1 3.27Å; V116-I119 WeakPolarHBondContact O-CG1 3.47Å; V116-I119 PolarHBondContact O-N 3.28Å; V116-T120 VanDerWaalsContact O-CB 3.27Å; V116-T120 WeakPolarHBondContact O-CB 3.4Å; V116-T120 PolarHBondContact O-N 3.33Å; V116-T120 PolarHBondContact O-OG1 2.89Å; V116-W183 HydrophobicContact CB-CD2 4.04Å; V116-W183 HydrophobicContact CB-CE3 4.1Å; V116-W183 HydrophobicContact CB-CG 4.45Å; V116-W183 HydrophobicContact CB-CZ3 4.4Å; V116-W183 HydrophobicContact CG1-CD2 3.54Å; V116-W183 VanDerWaalsContact CG1-CE2 3.42Å; V116-W183 HydrophobicContact CG1-CE3 4.1Å; V116-W183 HydrophobicContact CG1-CG 3.76Å; V116-W183 HydrophobicContact CG1-CH2 4.44Å; V116-W183 HydrophobicContact CG1-CZ2 3.92Å; V116-W183 HydrophobicContact CG2-CH2 4.47Å |
| 117 | V | 98.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55 | -47.3 | 172.7 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | S113 A114 F115 T120 F121 W180 W183 L184 T187 | S113-V117 WeakPolarHBondContact O-CG2 3.46Å; S113-V117 PolarHBondContact O-N 2.92Å; A114-V117 PolarHBondContact O-N 3.46Å; F115-V117 PolarHBondContact O-N 3.39Å; V117-T120 PolarHBondContact O-N 3.35Å; V117-F121 WeakPolarHBondContact O-CB 3.27Å; V117-F121 PolarHBondContact O-N 2.87Å; V117-W180 VanDerWaalsContact O-CD1 3.28Å; V117-W183 HydrophobicContact CG2-CB 3.63Å; V117-W183 WeakPolarHBondContact CG2-O 3.35Å; V117-L184 HydrophobicContact CG1-CG 4.11Å; V117-L184 HydrophobicContact CG2-CG 4.47Å; V117-T187 WeakPolarHBondContact CG2-OG1 3.22Å |
| 118 | F | 98.2 | Very high | 96.6 | Very high | 128 Ų | 128 | 40.9 Ų | 40.9 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.1 | -50.1 | -177.2 | -179.3 | -105 | 0 | 0 | 0 | 112.5 | A114 F115 V116 T120 F121 I122 | A114-F118 PolarHBondContact O-N 3.49Å; A114-F118 VanDerWaalsContact O-N 3.11Å; F115-F118 WeakPolarHBondContact O-CB 3.34Å; F115-F118 PolarHBondContact O-N 3.29Å; V116-F118 VanDerWaalsContact C-N 3.29Å; V116-F118 PolarHBondContact O-N 2.85Å; F118-T120 VanDerWaalsContact C-N 3.33Å; F118-T120 PolarHBondContact O-N 3.3Å; F118-F121 WeakPolarHBondContact O-CB 3.35Å; F118-F121 PolarHBondContact O-N 2.98Å; F118-I122 HydrophobicContact CD1-CD1 3.95Å; F118-I122 HydrophobicContact CE1-CD1 3.44Å; F118-I122 VanDerWaalsContact CE1-CD1 3.44Å; F118-I122 HydrophobicContact CE2-CD1 4.28Å; F118-I122 HydrophobicContact CZ-CD1 3.64Å; F118-I122 WeakPolarHBondContact O-CG1 3.29Å; F118-I122 PolarHBondContact O-N 3.48Å |
| 119 | I | 98.1 | Very high | 96.9 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -36.6 | 179.6 | 62.3 | 176.8 | 0 | 0 | 0 | 112 | F72 T76 L79 F115 V116 F121 I122 A123 | F72-I119 HydrophobicContact CZ-CB 4.44Å; T76-I119 HydrophobicContact CG2-CB 4.37Å; T76-I119 HydrophobicContact CG2-CD1 4.29Å; T76-I119 HydrophobicContact CG2-CG1 4.02Å; L79-I119 HydrophobicContact CD2-CD1 3.45Å; L79-I119 VanDerWaalsContact CD2-CD1 3.45Å; L79-I119 HydrophobicContact CG-CD1 4.4Å; F115-I119 HydrophobicContact CD1-CD1 4.34Å; F115-I119 HydrophobicContact CD2-CG2 4.49Å; F115-I119 HydrophobicContact CE1-CD1 3.97Å; F115-I119 HydrophobicContact CE1-CG2 4.12Å; F115-I119 HydrophobicContact CE2-CG2 3.97Å; F115-I119 HydrophobicContact CZ-CG2 3.76Å; F115-I119 WeakPolarHBondContact O-CG1 3.4Å; F115-I119 PolarHBondContact O-N 2.93Å; F115-I119 VanDerWaalsContact O-N 3.07Å; V116-I119 VanDerWaalsContact O-CG1 3.27Å; V116-I119 WeakPolarHBondContact O-CG1 3.47Å; V116-I119 PolarHBondContact O-N 3.28Å; I119-F121 VanDerWaalsContact C-N 3.35Å; I119-I122 PolarHBondContact O-N 2.68Å; I119-A123 PolarHBondContact O-N 3.38Å |
| 120 | T | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | 178.7 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | V116 V117 F118 I122 A123 S124 L176 A179 W180 | V116-T120 VanDerWaalsContact O-CB 3.27Å; V116-T120 WeakPolarHBondContact O-CB 3.4Å; V116-T120 PolarHBondContact O-N 3.33Å; V116-T120 PolarHBondContact O-OG1 2.89Å; V117-T120 PolarHBondContact O-N 3.35Å; F118-T120 VanDerWaalsContact C-N 3.33Å; F118-T120 PolarHBondContact O-N 3.3Å; T120-I122 VanDerWaalsContact C-N 3.34Å; T120-I122 PolarHBondContact O-N 3.15Å; T120-A123 PolarHBondContact O-N 3.36Å; T120-S124 WeakPolarHBondContact O-CB 3.46Å; T120-S124 PolarHBondContact O-N 2.78Å; T120-S124 PolarHBondContact O-OG 3.48Å; T120-L176 HydrophobicContact CG2-CD2 4.31Å; T120-A179 HydrophobicContact CG2-CB 4.3Å; T120-W180 HydrophobicContact CG2-CB 3.94Å |
| 121 | F | 98.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 39% | 0.386 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 174 | 179.8 | -104.8 | 0 | 0 | 0 | 112.7 | V117 F118 I119 S124 T125 W177 W180 | V117-F121 WeakPolarHBondContact O-CB 3.27Å; V117-F121 PolarHBondContact O-N 2.87Å; F118-F121 WeakPolarHBondContact O-CB 3.35Å; F118-F121 PolarHBondContact O-N 2.98Å; I119-F121 VanDerWaalsContact C-N 3.35Å; F121-S124 PolarHBondContact O-N 2.77Å; F121-T125 PolarHBondContact O-N 3.49Å; F121-T125 PolarHBondContact O-OG1 3.48Å; F121-W177 HydrophobicContact CD2-CH2 4.25Å; F121-W177 HydrophobicContact CD2-CZ3 4.27Å; F121-W177 AromaticContact CE2-CH2 3.98Å; F121-W177 HydrophobicContact CE2-CH2 3.98Å; F121-W177 HydrophobicContact CE2-CZ3 4.29Å; F121-W180 AromaticContact CD2-CE2 3.96Å; F121-W180 HydrophobicContact CD2-CZ2 4.17Å; F121-W180 AromaticContact CD2-NE1 3.84Å |
| 122 | I | 98.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 28% | 0.282 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 177 | -64 | 170.9 | 0 | 0 | 0 | 109.8 | F72 F118 I119 T120 S124 T125 I126 | F72-I122 HydrophobicContact CE1-CB 4Å; F72-I122 HydrophobicContact CE1-CG2 3.6Å; F72-I122 HydrophobicContact CZ-CB 4.19Å; F72-I122 HydrophobicContact CZ-CG2 3.95Å; F118-I122 HydrophobicContact CD1-CD1 3.95Å; F118-I122 HydrophobicContact CE1-CD1 3.44Å; F118-I122 VanDerWaalsContact CE1-CD1 3.44Å; F118-I122 HydrophobicContact CE2-CD1 4.28Å; F118-I122 HydrophobicContact CZ-CD1 3.64Å; F118-I122 WeakPolarHBondContact O-CG1 3.29Å; F118-I122 PolarHBondContact O-N 3.48Å; I119-I122 PolarHBondContact O-N 2.68Å; T120-I122 VanDerWaalsContact C-N 3.34Å; T120-I122 PolarHBondContact O-N 3.15Å; I122-S124 PolarHBondContact O-N 3.07Å; I122-T125 PolarHBondContact O-N 3Å; I122-I126 HydrophobicContact CG2-CD1 3.72Å; I122-I126 HydrophobicContact CG2-CG1 4.32Å; I122-I126 WeakPolarHBondContact O-CG1 3.24Å; I122-I126 PolarHBondContact O-N 3.25Å |
| 123 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F72 T76 I119 T120 T125 I126 V127 L176 | F72-A123 HydrophobicContact CD1-CB 4.26Å; F72-A123 HydrophobicContact CE1-CB 3.93Å; T76-A123 HydrophobicContact CG2-CB 3.79Å; I119-A123 PolarHBondContact O-N 3.38Å; T120-A123 PolarHBondContact O-N 3.36Å; A123-T125 VanDerWaalsContact C-N 3.27Å; A123-T125 PolarHBondContact O-N 3.45Å; A123-I126 PolarHBondContact O-N 3.48Å; A123-V127 WeakPolarHBondContact O-CG2 3.48Å; A123-V127 PolarHBondContact O-N 3.31Å; A123-L176 HydrophobicContact CB-CD2 4.03Å |
| 124 | S | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -43.8 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | T120 F121 I122 S128 L176 | T120-S124 WeakPolarHBondContact O-CB 3.46Å; T120-S124 PolarHBondContact O-N 2.78Å; T120-S124 PolarHBondContact O-OG 3.48Å; F121-S124 PolarHBondContact O-N 2.77Å; I122-S124 PolarHBondContact O-N 3.07Å; S124-S128 VanDerWaalsContact O-CB 3.25Å; S124-S128 WeakPolarHBondContact O-CB 3.09Å; S124-S128 PolarHBondContact O-N 3.16Å; S124-S128 PolarHBondContact O-OG 3.19Å; S124-S128 VanDerWaalsContact O-OG 3.1Å; S124-L176 WeakPolarHBondContact OG-CB 3.45Å; S124-L176 PolarHBondContact OG-O 2.89Å |
| 125 | T | 97.9 | Very high | 96.6 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.2 | -44.7 | -179.8 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | F121 I122 A123 S128 V129 | F121-T125 PolarHBondContact O-N 3.49Å; F121-T125 PolarHBondContact O-OG1 3.48Å; I122-T125 PolarHBondContact O-N 3Å; A123-T125 VanDerWaalsContact C-N 3.27Å; A123-T125 PolarHBondContact O-N 3.45Å; T125-S128 PolarHBondContact O-N 3.25Å; T125-V129 HydrophobicContact CG2-CG2 4.19Å; T125-V129 WeakPolarHBondContact O-CB 3.37Å; T125-V129 VanDerWaalsContact O-CG2 3.31Å; T125-V129 WeakPolarHBondContact O-CG2 3.39Å; T125-V129 PolarHBondContact O-N 3.14Å |
| 126 | I | 97.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 20% | 0.195 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 177.8 | -72.5 | 172.3 | 0 | 0 | 0 | 110.8 | L41 F42 A69 F72 I122 A123 G130 | L41-I126 HydrophobicContact CD1-CG2 4.2Å; F42-I126 HydrophobicContact CE2-CG2 3.95Å; F42-I126 HydrophobicContact CZ-CG2 4.47Å; A69-I126 HydrophobicContact CB-CG2 3.83Å; F72-I126 HydrophobicContact CD1-CD1 3.66Å; F72-I126 HydrophobicContact CE1-CD1 4.02Å; I122-I126 HydrophobicContact CG2-CD1 3.72Å; I122-I126 HydrophobicContact CG2-CG1 4.32Å; I122-I126 WeakPolarHBondContact O-CG1 3.24Å; I122-I126 PolarHBondContact O-N 3.25Å; A123-I126 PolarHBondContact O-N 3.48Å; I126-G130 WeakPolarHBondContact O-CA 2.98Å; I126-G130 PolarHBondContact O-N 2.89Å |
| 127 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -49.6 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | L41 S73 A123 V129 G130 F131 F169 Q173 L176 | L41-V127 HydrophobicContact CD1-CG2 4.2Å; S73-V127 VanDerWaalsContact OG-CG2 3.24Å; S73-V127 WeakPolarHBondContact OG-CG2 3.17Å; A123-V127 WeakPolarHBondContact O-CG2 3.48Å; A123-V127 PolarHBondContact O-N 3.31Å; V127-V129 PolarHBondContact O-N 3.27Å; V127-G130 PolarHBondContact O-N 2.88Å; V127-F131 WeakPolarHBondContact O-CB 3.17Å; V127-F131 PolarHBondContact O-N 3.25Å; V127-F169 HydrophobicContact CG1-CD1 4.14Å; V127-Q173 HydrophobicContact CG1-CB 4.32Å; V127-L176 HydrophobicContact CB-CD1 3.86Å; V127-L176 HydrophobicContact CG1-CD1 4.27Å; V127-L176 HydrophobicContact CG2-CD1 3.51Å |
| 128 | S | 96.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | -179.9 | -74 | 0 | 0 | 0 | 0 | 112.9 | S124 T125 N132 Q173 W177 | S124-S128 VanDerWaalsContact O-CB 3.25Å; S124-S128 WeakPolarHBondContact O-CB 3.09Å; S124-S128 PolarHBondContact O-N 3.16Å; S124-S128 PolarHBondContact O-OG 3.19Å; S124-S128 VanDerWaalsContact O-OG 3.1Å; T125-S128 PolarHBondContact O-N 3.25Å; S128-N132 WeakPolarHBondContact O-CB 3.4Å; S128-N132 PolarHBondContact O-N 2.67Å; S128-N132 VanDerWaalsContact O-N 3.14Å; S128-N132 PolarHBondContact O-ND2 3.41Å; S128-Q173 WeakPolarHBondContact OG-CG 3.48Å; S128-Q173 PolarHBondContact OG-NE2 3.43Å; S128-W177 PolarHBondContact OG-NE1 3.02Å; S128-W177 VanDerWaalsContact OG-NE1 3.13Å |
| 129 | V | 96.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -71.4 | -46.1 | -178.8 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | F42 T125 V127 F131 N132 M133 | F42-V129 HydrophobicContact CE1-CG1 4.26Å; T125-V129 HydrophobicContact CG2-CG2 4.19Å; T125-V129 WeakPolarHBondContact O-CB 3.37Å; T125-V129 VanDerWaalsContact O-CG2 3.31Å; T125-V129 WeakPolarHBondContact O-CG2 3.39Å; T125-V129 PolarHBondContact O-N 3.14Å; V127-V129 PolarHBondContact O-N 3.27Å; V129-F131 VanDerWaalsContact C-N 3.32Å; V129-F131 PolarHBondContact O-N 2.98Å; V129-N132 PolarHBondContact O-N 2.97Å; V129-M133 HydrophobicContact CG1-CE 3.8Å; V129-M133 HydrophobicContact CG1-SD 4.42Å; V129-M133 WeakPolarHBondContact O-CG 3.3Å; V129-M133 PolarHBondContact O-N 3.23Å |
| 130 | G | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I126 V127 W134 | I126-G130 WeakPolarHBondContact O-CA 2.98Å; I126-G130 PolarHBondContact O-N 2.89Å; V127-G130 PolarHBondContact O-N 2.88Å; G130-W134 PolarHBondContact O-N 2.96Å; G130-W134 VanDerWaalsContact O-N 3.08Å |
| 131 | F | 94.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -42.5 | 177.6 | -178.2 | -132.6 | 0 | 0 | 0 | 112 | L41 V127 V129 M133 W134 C135 F165 Y166 F169 | L41-F131 HydrophobicContact CD2-CB 4.17Å; V127-F131 WeakPolarHBondContact O-CB 3.17Å; V127-F131 PolarHBondContact O-N 3.25Å; V129-F131 VanDerWaalsContact C-N 3.32Å; V129-F131 PolarHBondContact O-N 2.98Å; F131-M133 VanDerWaalsContact C-N 3.32Å; F131-M133 PolarHBondContact O-N 2.93Å; F131-W134 WeakPolarHBondContact O-CB 3.34Å; F131-W134 PolarHBondContact O-N 3.25Å; F131-C135 PolarHBondContact O-N 3.11Å; F131-F165 HydrophobicContact CE2-CD2 4.15Å; F131-F165 HydrophobicContact CE2-CE2 4.19Å; F131-Y166 HydrophobicContact CE1-CD2 4.35Å; F131-Y166 HydrophobicContact CE1-CE2 4.34Å; F131-Y166 HydrophobicContact CE2-CD2 4.24Å; F131-Y166 AromaticContact CZ-CD2 3.48Å; F131-Y166 HydrophobicContact CZ-CD2 3.48Å; F131-Y166 VanDerWaalsContact CZ-CD2 3.48Å; F131-Y166 AromaticContact CZ-CE2 3.9Å; F131-Y166 HydrophobicContact CZ-CE2 3.9Å; F131-Y166 HydrophobicContact CZ-CG 4.06Å; F131-F169 HydrophobicContact CB-CB 4.49Å; F131-F169 HydrophobicContact CD1-CB 4.05Å; F131-F169 HydrophobicContact CD2-CB 3.46Å; F131-F169 VanDerWaalsContact CD2-CB 3.46Å; F131-F169 HydrophobicContact CD2-CD2 4.07Å; F131-F169 AromaticContact CD2-CG 3.83Å; F131-F169 HydrophobicContact CD2-CG 3.83Å; F131-F169 HydrophobicContact CE1-CB 4.06Å; F131-F169 HydrophobicContact CE2-CB 3.49Å; F131-F169 VanDerWaalsContact CE2-CB 3.49Å; F131-F169 HydrophobicContact CE2-CD2 4.24Å; F131-F169 HydrophobicContact CE2-CG 4.16Å; F131-F169 HydrophobicContact CG-CB 3.75Å; F131-F169 HydrophobicContact CG-CG 4.3Å; F131-F169 HydrophobicContact CZ-CB 3.78Å |
| 132 | N | 94.8 | Very high | 92.6 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 173.9 | -76.1 | -21.3 | 0 | 0 | 0 | 111.9 | S128 V129 W134 C135 D136 | S128-N132 WeakPolarHBondContact O-CB 3.4Å; S128-N132 PolarHBondContact O-N 2.67Å; S128-N132 VanDerWaalsContact O-N 3.14Å; S128-N132 PolarHBondContact O-ND2 3.41Å; V129-N132 PolarHBondContact O-N 2.97Å; N132-W134 VanDerWaalsContact C-N 3.34Å; N132-W134 PolarHBondContact O-N 2.95Å; N132-C135 PolarHBondContact O-N 2.96Å; N132-D136 WeakPolarHBondContact O-CB 3.05Å; N132-D136 PolarHBondContact O-N 3.06Å |
| 133 | M | 93.5 | Very high | 91.8 | Very high | 74 Ų | 74 | 43.3 Ų | 43.3 | 37% | 0.365 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.8 | -35.7 | 177.3 | -73.5 | -172.4 | -59.3 | 0 | 0 | 112.9 | F42 V129 F131 D136 A137 | F42-M133 HydrophobicContact CB-CE 4.27Å; F42-M133 HydrophobicContact CD1-CE 2.96Å; F42-M133 HydrophobicContact CD1-SD 4.48Å; F42-M133 HydrophobicContact CE1-CE 3.21Å; F42-M133 HydrophobicContact CG-CE 3.75Å; F42-M133 HydrophobicContact CZ-CE 4.17Å; V129-M133 HydrophobicContact CG1-CE 3.8Å; V129-M133 HydrophobicContact CG1-SD 4.42Å; V129-M133 WeakPolarHBondContact O-CG 3.3Å; V129-M133 PolarHBondContact O-N 3.23Å; F131-M133 VanDerWaalsContact C-N 3.32Å; F131-M133 PolarHBondContact O-N 2.93Å; M133-D136 PolarHBondContact O-N 3.39Å; M133-A137 WeakPolarHBondContact O-CB 3.34Å; M133-A137 PolarHBondContact O-N 2.89Å |
| 134 | W | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 171.3 | 172.4 | -107.8 | 0 | 0 | 0 | 111.4 | L40 T43 F59 G130 F131 N132 D136 A137 I138 F165 | L40-W134 HydrophobicContact CD1-CD2 4.19Å; L40-W134 HydrophobicContact CD1-CH2 4.48Å; L40-W134 HydrophobicContact CD1-CZ2 3.8Å; L40-W134 HydrophobicContact CD2-CB 3.71Å; L40-W134 HydrophobicContact CD2-CD2 3.53Å; L40-W134 HydrophobicContact CD2-CE3 4.34Å; L40-W134 HydrophobicContact CD2-CG 3.19Å; L40-W134 HydrophobicContact CG-CD2 3.67Å; L40-W134 HydrophobicContact CG-CE3 4.14Å; L40-W134 HydrophobicContact CG-CG 3.93Å; L40-W134 HydrophobicContact CG-CZ2 4.12Å; T43-W134 HydrophobicContact CG2-CE3 4.08Å; T43-W134 HydrophobicContact CG2-CZ3 3.59Å; F59-W134 HydrophobicContact CD1-CH2 4.37Å; F59-W134 AromaticContact CE1-CH2 3.78Å; F59-W134 HydrophobicContact CE1-CH2 3.78Å; F59-W134 AromaticContact CE1-CZ3 3.81Å; F59-W134 HydrophobicContact CE1-CZ3 3.81Å; F59-W134 HydrophobicContact CZ-CZ3 4.32Å; G130-W134 PolarHBondContact O-N 2.96Å; G130-W134 VanDerWaalsContact O-N 3.08Å; F131-W134 WeakPolarHBondContact O-CB 3.34Å; F131-W134 PolarHBondContact O-N 3.25Å; N132-W134 VanDerWaalsContact C-N 3.34Å; N132-W134 PolarHBondContact O-N 2.95Å; W134-D136 VanDerWaalsContact C-N 3.31Å; W134-D136 PolarHBondContact O-N 3.43Å; W134-A137 WeakPolarHBondContact O-CB 3.39Å; W134-A137 PolarHBondContact O-N 2.88Å; W134-A137 VanDerWaalsContact O-N 3.1Å; W134-I138 HydrophobicContact CD2-CG2 3.94Å; W134-I138 HydrophobicContact CE3-CG2 4.11Å; W134-I138 HydrophobicContact CH2-CG2 3.74Å; W134-I138 HydrophobicContact CZ2-CG2 3.53Å; W134-I138 HydrophobicContact CZ3-CG2 4.01Å; W134-I138 WeakPolarHBondContact O-CG1 3.45Å; W134-I138 PolarHBondContact O-N 2.79Å; W134-F165 AromaticContact CD1-CD2 3.78Å; W134-F165 AromaticContact CD1-CE2 3.49Å; W134-F165 VanDerWaalsContact CD1-CE2 3.49Å; W134-F165 AromaticContact NE1-CD2 3.38Å; W134-F165 AromaticContact NE1-CE2 3.14Å; W134-F165 AromaticContact NE1-CZ 3.61Å |
| 135 | C | 92.2 | Very high | 90 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.095 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 175.6 | -78.6 | 0 | 0 | 0 | 0 | 112.2 | F131 N132 A137 I138 T139 C148 | F131-C135 PolarHBondContact O-N 3.11Å; N132-C135 PolarHBondContact O-N 2.96Å; C135-A137 VanDerWaalsContact C-N 3.32Å; C135-A137 PolarHBondContact O-N 3.47Å; C135-I138 WeakPolarHBondContact O-CG1 3.43Å; C135-I138 PolarHBondContact O-N 3.36Å; C135-T139 WeakPolarHBondContact O-CB 3.35Å; C135-T139 WeakPolarHBondContact O-CG2 3.41Å; C135-T139 PolarHBondContact O-N 3.28Å; C135-T139 PolarHBondContact O-OG1 2.79Å; C135-C148 WeakPolarHBondContact CA-SG 3.32Å; C135-C148 HydrophobicContact CB-CB 3.67Å; C135-C148 WeakPolarHBondContact CB-SG 3.18Å; C135-C148 WeakPolarHBondContact SG-CB 3.43Å; C135-C148 CovalentContact SG-SG 2.04Å; C135-C148 PolarHBondContact SG-SG 2.98Å |
| 136 | D | 91.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 176.5 | -76.4 | -15.8 | 0 | 0 | 0 | 112.1 | N132 M133 W134 E140 K141 | N132-D136 WeakPolarHBondContact O-CB 3.05Å; N132-D136 PolarHBondContact O-N 3.06Å; M133-D136 PolarHBondContact O-N 3.39Å; W134-D136 VanDerWaalsContact C-N 3.31Å; W134-D136 PolarHBondContact O-N 3.43Å; D136-E140 CarbonylContact O-C 3.59Å; D136-E140 WeakPolarHBondContact O-CA 3.44Å; D136-E140 PolarHBondContact O-N 3.28Å; D136-E140 VanDerWaalsContact O-N 3.1Å; D136-K141 HydrophobicContact CB-CG 4.44Å; D136-K141 PolarHBondContact O-N 2.9Å |
| 137 | A | 89.1 | Confident | 88.9 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.8 | -47.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F59 M133 W134 C135 E140 | F59-A137 HydrophobicContact CZ-CB 4.42Å; M133-A137 WeakPolarHBondContact O-CB 3.34Å; M133-A137 PolarHBondContact O-N 2.89Å; W134-A137 WeakPolarHBondContact O-CB 3.39Å; W134-A137 PolarHBondContact O-N 2.88Å; W134-A137 VanDerWaalsContact O-N 3.1Å; C135-A137 VanDerWaalsContact C-N 3.32Å; C135-A137 PolarHBondContact O-N 3.47Å; A137-E140 PolarHBondContact O-N 2.96Å |
| 138 | I | 87.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.1 | -28.9 | -177.6 | 67.3 | 172.9 | 0 | 0 | 0 | 112.9 | W47 F59 W134 C135 E140 L151 F165 | W47-I138 WeakPolarHBondContact CZ2-O 3.47Å; W47-I138 PolarHBondContact NE1-O 2.92Å; F59-I138 HydrophobicContact CD1-CG2 4.46Å; F59-I138 HydrophobicContact CE1-CG2 4.05Å; F59-I138 HydrophobicContact CE2-CG2 4.24Å; F59-I138 HydrophobicContact CZ-CG2 3.92Å; W134-I138 HydrophobicContact CD2-CG2 3.94Å; W134-I138 HydrophobicContact CE3-CG2 4.11Å; W134-I138 HydrophobicContact CH2-CG2 3.74Å; W134-I138 HydrophobicContact CZ2-CG2 3.53Å; W134-I138 HydrophobicContact CZ3-CG2 4.01Å; W134-I138 WeakPolarHBondContact O-CG1 3.45Å; W134-I138 PolarHBondContact O-N 2.79Å; C135-I138 WeakPolarHBondContact O-CG1 3.43Å; C135-I138 PolarHBondContact O-N 3.36Å; I138-E140 VanDerWaalsContact C-N 3.31Å; I138-L151 HydrophobicContact CB-CD2 3.65Å; I138-L151 HydrophobicContact CD1-CB 3.93Å; I138-L151 HydrophobicContact CD1-CD2 3.87Å; I138-L151 HydrophobicContact CG1-CD2 3.73Å; I138-L151 WeakPolarHBondContact O-CD2 3.24Å; I138-F165 HydrophobicContact CD1-CE1 4.32Å; I138-F165 HydrophobicContact CD1-CE2 4.05Å; I138-F165 HydrophobicContact CD1-CZ 3.44Å; I138-F165 VanDerWaalsContact CD1-CZ 3.44Å |
| 139 | T | 88.3 | Confident | 88.1 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.2 | 174.7 | 63 | 0 | 0 | 0 | 0 | 113.2 | C135 K141 G142 S143 M144 C148 | C135-T139 WeakPolarHBondContact O-CB 3.35Å; C135-T139 WeakPolarHBondContact O-CG2 3.41Å; C135-T139 PolarHBondContact O-N 3.28Å; C135-T139 PolarHBondContact O-OG1 2.79Å; T139-K141 VanDerWaalsContact C-N 3.27Å; T139-K141 PolarHBondContact O-N 3.41Å; T139-G142 WeakPolarHBondContact O-CA 3.06Å; T139-G142 PolarHBondContact O-N 3.4Å; T139-G142 PolarHBondContact OG1-N 2.87Å; T139-S143 PolarHBondContact O-N 3.41Å; T139-M144 WeakPolarHBondContact O-CB 3.39Å; T139-M144 PolarHBondContact O-N 3.29Å; T139-M144 VanDerWaalsContact O-N 3.12Å; T139-C148 HydrophobicContact CG2-CB 4.1Å |
| 140 | E | 85.9 | Confident | 87.6 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 52.6 | -173.2 | -168.9 | 178.5 | 177.7 | 0 | 0 | 110.8 | D136 A137 I138 G142 S143 | D136-E140 CarbonylContact O-C 3.59Å; D136-E140 WeakPolarHBondContact O-CA 3.44Å; D136-E140 PolarHBondContact O-N 3.28Å; D136-E140 VanDerWaalsContact O-N 3.1Å; A137-E140 PolarHBondContact O-N 2.96Å; I138-E140 VanDerWaalsContact C-N 3.31Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.2Å; E140-S143 WeakPolarHBondContact CB-OG 3.07Å; E140-S143 VanDerWaalsContact CG-OG 3.27Å; E140-S143 WeakPolarHBondContact CG-OG 3.45Å; E140-S143 WeakPolarHBondContact O-CB 3.44Å; E140-S143 PolarHBondContact O-N 3.46Å; E140-S143 VanDerWaalsContact O-N 3.15Å; E140-S143 PolarHBondContact O-OG 3.17Å |
| 141 | K | 81.6 | Confident | 87.1 | Confident | 182 Ų | 182 | 56.7 Ų | 56.7 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 36.5 | -176.1 | -60 | 178.8 | 178.6 | 176 | 0 | 113.9 | D136 T139 | D136-K141 HydrophobicContact CB-CG 4.44Å; D136-K141 PolarHBondContact O-N 2.9Å; T139-K141 VanDerWaalsContact C-N 3.27Å; T139-K141 PolarHBondContact O-N 3.41Å |
| 142 | G | 78.3 | Confident | 86.6 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 15.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T139 E140 | T139-G142 WeakPolarHBondContact O-CA 3.06Å; T139-G142 PolarHBondContact O-N 3.4Å; T139-G142 PolarHBondContact OG1-N 2.87Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.2Å |
| 143 | S | 80.1 | Confident | 86 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -21.8 | 170.6 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | T139 E140 | T139-S143 PolarHBondContact O-N 3.41Å; E140-S143 WeakPolarHBondContact CB-OG 3.07Å; E140-S143 VanDerWaalsContact CG-OG 3.27Å; E140-S143 WeakPolarHBondContact CG-OG 3.45Å; E140-S143 WeakPolarHBondContact O-CB 3.44Å; E140-S143 PolarHBondContact O-N 3.46Å; E140-S143 VanDerWaalsContact O-N 3.15Å; E140-S143 PolarHBondContact O-OG 3.17Å |
| 144 | M | 78.8 | Confident | 85.2 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -73.4 | 138.6 | 171.7 | -164.9 | 62.8 | -160.2 | 0 | 0 | 110.5 | T139 N146 | T139-M144 WeakPolarHBondContact O-CB 3.39Å; T139-M144 PolarHBondContact O-N 3.29Å; T139-M144 VanDerWaalsContact O-N 3.12Å; M144-N146 VanDerWaalsContact C-N 3.25Å; M144-N146 PolarHBondContact O-N 3.4Å |
| 145 | P | 80.1 | Confident | 84.2 | Confident | 112 Ų | 112 | 63 Ų | 63 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -67 | -23.1 | -177.9 | 25.1 | -36.1 | 0 | 0 | 0 | 114.4 | ||
| 146 | N | 83.8 | Confident | 83.3 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -95.1 | 145.2 | -177.1 | -57.9 | -29.8 | 0 | 0 | 0 | 110.4 | M144 E150 L151 I154 | M144-N146 VanDerWaalsContact C-N 3.25Å; M144-N146 PolarHBondContact O-N 3.4Å; N146-E150 WeakPolarHBondContact CA-OE2 3.38Å; N146-E150 HydrophobicContact CB-CB 4.21Å; N146-L151 HydrophobicContact CB-CD1 3.36Å; N146-L151 WeakPolarHBondContact O-CD1 3.26Å; N146-I154 HydrophobicContact CB-CD1 4.49Å; N146-I154 WeakPolarHBondContact ND2-CD1 3.41Å |
| 147 | S | 87.9 | Confident | 82.1 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | trans | -73.9 | 162.5 | 175.6 | 65 | 0 | 0 | 0 | 0 | 112.6 | E149 E150 L151 | S147-E149 PolarHBondContact O-N 3.16Å; S147-E150 PolarHBondContact N-OE2 3.42Å; S147-E150 PolarHBondContact O-N 2.9Å; S147-E150 VanDerWaalsContact O-N 3.14Å; S147-E150 VanDerWaalsContact OG-CD 3.27Å; S147-E150 VanDerWaalsContact OG-CG 3.27Å; S147-E150 WeakPolarHBondContact OG-CG 3.22Å; S147-E150 PolarHBondContact OG-N 2.95Å; S147-E150 PolarHBondContact OG-OE2 2.89Å; S147-L151 WeakPolarHBondContact O-CD1 3.31Å; S147-L151 PolarHBondContact O-N 2.98Å | ||
| 148 | C | 88.6 | Confident | 80.7 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 10% | 0.101 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.2 | 178.1 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | C135 T139 Y166 | C135-C148 WeakPolarHBondContact CA-SG 3.32Å; C135-C148 HydrophobicContact CB-CB 3.67Å; C135-C148 WeakPolarHBondContact CB-SG 3.18Å; C135-C148 WeakPolarHBondContact SG-CB 3.43Å; C135-C148 CovalentContact SG-SG 2.04Å; C135-C148 PolarHBondContact SG-SG 2.98Å; T139-C148 HydrophobicContact CG2-CB 4.1Å; C148-Y166 HydrophobicContact CB-CD2 4.09Å; C148-Y166 HydrophobicContact CB-CE2 4.07Å |
| 149 | E | 89.1 | Confident | 79.6 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -51 | 174.8 | -175.6 | 177.3 | 167.1 | 0 | 0 | 111.1 | S147 L151 Q152 Y166 | S147-E149 PolarHBondContact O-N 3.16Å; E149-L151 PolarHBondContact O-N 2.93Å; E149-Q152 WeakPolarHBondContact O-CB 3.42Å; E149-Q152 WeakPolarHBondContact O-CG 3.49Å; E149-Q152 PolarHBondContact O-N 3.3Å; E149-Y166 HydrophobicContact CB-CD1 3.82Å; E149-Y166 HydrophobicContact CB-CD2 4.29Å; E149-Y166 HydrophobicContact CB-CE1 3.68Å; E149-Y166 HydrophobicContact CB-CE2 4.21Å; E149-Y166 HydrophobicContact CB-CG 4.12Å; E149-Y166 HydrophobicContact CG-CD1 3.75Å; E149-Y166 HydrophobicContact CG-CE1 3.75Å; E149-Y166 HydrophobicContact CG-CG 4.42Å |
| 150 | E | 86.3 | Confident | 78.9 | Confident | 99 Ų | 99 | 69 Ų | 69 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -63.6 | -26.9 | 179.5 | -69.9 | 164 | 153.3 | 0 | 0 | 112.8 | N146 S147 Q152 D153 | N146-E150 WeakPolarHBondContact CA-OE2 3.38Å; N146-E150 HydrophobicContact CB-CB 4.21Å; S147-E150 PolarHBondContact N-OE2 3.42Å; S147-E150 PolarHBondContact O-N 2.9Å; S147-E150 VanDerWaalsContact O-N 3.14Å; S147-E150 VanDerWaalsContact OG-CD 3.27Å; S147-E150 VanDerWaalsContact OG-CG 3.27Å; S147-E150 WeakPolarHBondContact OG-CG 3.22Å; S147-E150 PolarHBondContact OG-N 2.95Å; S147-E150 PolarHBondContact OG-OE2 2.89Å; E150-Q152 PolarHBondContact O-N 3.33Å; E150-D153 PolarHBondContact O-N 2.76Å |
| 151 | L | 84.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -69 | -15.7 | 175.6 | -95.6 | 79.6 | 0 | 0 | 0 | 113.7 | W47 I138 N146 S147 E149 D153 I154 | W47-L151 HydrophobicContact CZ2-CD2 3.8Å; I138-L151 HydrophobicContact CB-CD2 3.65Å; I138-L151 HydrophobicContact CD1-CB 3.93Å; I138-L151 HydrophobicContact CD1-CD2 3.87Å; I138-L151 HydrophobicContact CG1-CD2 3.73Å; I138-L151 WeakPolarHBondContact O-CD2 3.24Å; N146-L151 HydrophobicContact CB-CD1 3.36Å; N146-L151 WeakPolarHBondContact O-CD1 3.26Å; S147-L151 WeakPolarHBondContact O-CD1 3.31Å; S147-L151 PolarHBondContact O-N 2.98Å; E149-L151 PolarHBondContact O-N 2.93Å; L151-D153 VanDerWaalsContact C-N 3.28Å; L151-I154 PolarHBondContact O-N 3.01Å |
| 152 | Q | 85.3 | Confident | 78.1 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -68.6 | -30.6 | 173.3 | 89.1 | -172.2 | -41.7 | 0 | 0 | 112.2 | E149 E150 I154 S163 F165 D167 | E149-Q152 WeakPolarHBondContact O-CB 3.42Å; E149-Q152 WeakPolarHBondContact O-CG 3.49Å; E149-Q152 PolarHBondContact O-N 3.3Å; E150-Q152 PolarHBondContact O-N 3.33Å; Q152-I154 VanDerWaalsContact C-N 3.3Å; Q152-I154 PolarHBondContact O-N 3.29Å; Q152-S163 WeakPolarHBondContact O-CA 3.47Å; Q152-F165 HydrophobicContact CB-CD1 3.84Å; Q152-F165 HydrophobicContact CB-CE1 3.55Å; Q152-F165 HydrophobicContact CB-CZ 4.23Å; Q152-D167 PolarHBondContact NE2-OD1 2.86Å |
| 153 | D | 80.6 | Confident | 78 | Confident | 127 Ų | 127 | 62.9 Ų | 62.9 | 68% | 0.679 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -84.6 | -4.8 | -179.6 | -64.5 | -42.9 | 0 | 0 | 0 | 113.2 | E150 L151 | E150-D153 PolarHBondContact O-N 2.76Å; L151-D153 VanDerWaalsContact C-N 3.28Å |
| 154 | I | 77.1 | Confident | 78.2 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 32% | 0.323 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -98.6 | 132.3 | -179.6 | -58.7 | 174.3 | 0 | 0 | 0 | 109.3 | N146 L151 Q152 L156 | N146-I154 HydrophobicContact CB-CD1 4.49Å; N146-I154 WeakPolarHBondContact ND2-CD1 3.41Å; L151-I154 PolarHBondContact O-N 3.01Å; Q152-I154 VanDerWaalsContact C-N 3.3Å; Q152-I154 PolarHBondContact O-N 3.29Å; I154-L156 PolarHBondContact O-N 3.02Å |
| 155 | D | 72.4 | Confident | 78.8 | Confident | 97 Ų | 97 | 59.5 Ų | 59.5 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | trans | -68 | 99.9 | 171.9 | -179.1 | 16.7 | 0 | 0 | 0 | 109.9 | R56 E157 | R56-D155 IonicContact NH2-OD2 3.74Å; D155-E157 PolarHBondContact O-N 3Å; D155-E157 WeakPolarHBondContact OD1-CA 3.16Å; D155-E157 PolarHBondContact OD1-N 2.88Å | ||
| 156 | L | 72.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -72.5 | 2.9 | 175.6 | -63.8 | -179.1 | 0 | 0 | 0 | 112.9 | W47 F59 I154 L158 N162 | W47-L156 HydrophobicContact CH2-CD2 3.4Å; W47-L156 HydrophobicContact CZ2-CD2 3.91Å; W47-L156 HydrophobicContact CZ3-CD2 4.28Å; F59-L156 HydrophobicContact CB-CB 4.31Å; F59-L156 HydrophobicContact CB-CD2 4.17Å; I154-L156 PolarHBondContact O-N 3.02Å; L156-L158 HydrophobicContact CB-CD1 3.6Å; L156-L158 HydrophobicContact CB-CG 3.85Å; L156-L158 HydrophobicContact CD1-CD1 3.83Å; L156-L158 HydrophobicContact CG-CD1 4.33Å; L156-L158 PolarHBondContact O-N 3.33Å; L156-N162 WeakPolarHBondContact CD1-ND2 3.36Å | ||
| 157 | E | 65.9 | Low | 79.8 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 53.6 | 35.5 | -175.9 | -63.6 | -169.4 | 169.2 | 0 | 0 | 113.5 | R56 R58 D155 N159 | R56-E157 WeakPolarHBondContact CD-OE1 3.32Å; R56-E157 IonicContact CZ-OE1 3.32Å; R56-E157 VanDerWaalsContact CZ-OE1 3.32Å; R56-E157 IonicContact NE-OE1 2.93Å; R56-E157 PolarHBondContact NE-OE1 3.48Å; R56-E157 IonicContact NH1-OE1 3.87Å; R56-E157 IonicContact NH2-OE1 3.84Å; R58-E157 VanDerWaalsContact CD-OE2 3.28Å; R58-E157 WeakPolarHBondContact CD-OE2 3.29Å; R58-E157 HydrophobicContact CG-CB 4.18Å; R58-E157 IonicContact CZ-OE2 2.68Å; R58-E157 IonicContact NE-OE2 3.86Å; R58-E157 IonicContact NH1-OE2 3.35Å; D155-E157 PolarHBondContact O-N 3Å; D155-E157 WeakPolarHBondContact OD1-CA 3.16Å; D155-E157 PolarHBondContact OD1-N 2.88Å; E157-N159 PolarHBondContact O-N 2.97Å |
| 158 | L | 59.9 | Low | 80.1 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | trans | -75.9 | -10.4 | 178.5 | -70.4 | 159 | 0 | 0 | 0 | 112.9 | F59 V61 L156 L160 | F59-L158 HydrophobicContact CD1-CD2 4.47Å; V61-L158 HydrophobicContact CB-CD2 4.5Å; V61-L158 HydrophobicContact CG2-CD2 3.39Å; L156-L158 HydrophobicContact CB-CD1 3.6Å; L156-L158 HydrophobicContact CB-CG 3.85Å; L156-L158 HydrophobicContact CD1-CD1 3.83Å; L156-L158 HydrophobicContact CG-CD1 4.33Å; L156-L158 PolarHBondContact O-N 3.33Å; L158-L160 HydrophobicContact CB-CB 4.15Å; L158-L160 HydrophobicContact CB-CD1 4.39Å; L158-L160 HydrophobicContact CB-CG 4.34Å; L158-L160 PolarHBondContact O-N 2.95Å | ||
| 159 | N | 64.5 | Low | 80.3 | Confident | 156 Ų | 156 | 55.7 Ų | 55.7 | 83% | 0.834 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 55.4 | 29 | -163 | -66.8 | -31.9 | 0 | 0 | 0 | 113 | E157 | E157-N159 PolarHBondContact O-N 2.97Š|
| 160 | L | 75 | Confident | 80.6 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -133.7 | 158.4 | -178 | -60.3 | 172.8 | 0 | 0 | 0 | 109.6 | F35 H36 W64 L158 N162 | F35-L160 HydrophobicContact CD1-CD1 3.77Å; F35-L160 HydrophobicContact CE1-CD1 4.37Å; H36-L160 WeakPolarHBondContact CD2-CD2 3.27Å; W64-L160 HydrophobicContact CH2-CD1 3.5Å; W64-L160 VanDerWaalsContact CH2-CD1 3.5Å; W64-L160 HydrophobicContact CZ2-CD1 3.77Å; L158-L160 HydrophobicContact CB-CB 4.15Å; L158-L160 HydrophobicContact CB-CD1 4.39Å; L158-L160 HydrophobicContact CB-CG 4.34Å; L158-L160 PolarHBondContact O-N 2.95Å; L160-N162 PolarHBondContact O-N 2.04Å |
| 161 | E | 73.1 | Confident | 81.1 | Confident | 132 Ų | 132 | 52 Ų | 52 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | trans | -77.5 | 104.4 | 175.1 | -68.9 | -174.8 | -174.8 | 0 | 0 | 109.7 | D34 | D34-E161 HydrophobicContact CB-CB 4.24Š| ||
| 162 | N | 77.4 | Confident | 81.7 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | trans | -103.6 | 4.1 | -176.8 | -167.5 | 55.1 | 0 | 0 | 0 | 113.5 | F35 L156 L160 A164 F165 | F35-N162 WeakPolarHBondContact CZ-OD1 3.46Å; L156-N162 WeakPolarHBondContact CD1-ND2 3.36Å; L160-N162 PolarHBondContact O-N 2.04Å; N162-A164 PolarHBondContact O-N 3.42Å; N162-A164 VanDerWaalsContact O-N 3.08Å; N162-F165 WeakPolarHBondContact O-CD1 3.35Å; N162-F165 WeakPolarHBondContact OD1-CD1 3.48Å | ||
| 163 | S | 75.4 | Confident | 82.2 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 57% | 0.573 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.1 | -164.5 | 54.3 | 0 | 0 | 0 | 0 | 116 | Q152 | Q152-S163 WeakPolarHBondContact O-CA 3.47Š|
| 164 | A | 85.1 | Confident | 83 | Confident | 29 Ų | 29 | 54 Ų | 54 | 24% | 0.24 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | 13.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | N162 Y166 D167 Q168 | N162-A164 PolarHBondContact O-N 3.42Å; N162-A164 VanDerWaalsContact O-N 3.08Å; A164-Y166 VanDerWaalsContact C-N 3.27Å; A164-Y166 PolarHBondContact O-N 3.1Å; A164-D167 PolarHBondContact O-N 3.29Å; A164-Q168 HydrophobicContact CB-CG 4.36Å; A164-Q168 VanDerWaalsContact O-CB 3.32Å; A164-Q168 WeakPolarHBondContact O-CB 3.4Å; A164-Q168 WeakPolarHBondContact O-CG 3.31Å; A164-Q168 PolarHBondContact O-N 3.35Å |
| 165 | F | 89.6 | Confident | 84 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | -174.3 | 79.7 | -94.8 | 0 | 0 | 0 | 111.6 | F35 L40 F131 W134 I138 Q152 N162 F169 | F35-F165 HydrophobicContact CE2-CB 4.1Å; F35-F165 HydrophobicContact CZ-CB 4.15Å; L40-F165 HydrophobicContact CD1-CB 4.18Å; L40-F165 HydrophobicContact CD1-CG 4.38Å; F131-F165 HydrophobicContact CE2-CD2 4.15Å; F131-F165 HydrophobicContact CE2-CE2 4.19Å; W134-F165 AromaticContact CD1-CD2 3.78Å; W134-F165 AromaticContact CD1-CE2 3.49Å; W134-F165 VanDerWaalsContact CD1-CE2 3.49Å; W134-F165 AromaticContact NE1-CD2 3.38Å; W134-F165 AromaticContact NE1-CE2 3.14Å; W134-F165 AromaticContact NE1-CZ 3.61Å; I138-F165 HydrophobicContact CD1-CE1 4.32Å; I138-F165 HydrophobicContact CD1-CE2 4.05Å; I138-F165 HydrophobicContact CD1-CZ 3.44Å; I138-F165 VanDerWaalsContact CD1-CZ 3.44Å; Q152-F165 HydrophobicContact CB-CD1 3.84Å; Q152-F165 HydrophobicContact CB-CE1 3.55Å; Q152-F165 HydrophobicContact CB-CZ 4.23Å; N162-F165 WeakPolarHBondContact O-CD1 3.35Å; N162-F165 WeakPolarHBondContact OD1-CD1 3.48Å; F165-F169 WeakPolarHBondContact O-CB 3.37Å; F165-F169 VanDerWaalsContact O-CD2 3.25Å; F165-F169 WeakPolarHBondContact O-CD2 3.43Å; F165-F169 PolarHBondContact O-N 3.4Å |
| 166 | Y | 92.4 | Very high | 85.2 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.9 | -48.4 | -176.2 | -179.9 | -89.4 | 0 | 0 | 0 | 110 | F131 C148 E149 A164 Q168 F169 A170 | F131-Y166 HydrophobicContact CE1-CD2 4.35Å; F131-Y166 HydrophobicContact CE1-CE2 4.34Å; F131-Y166 HydrophobicContact CE2-CD2 4.24Å; F131-Y166 AromaticContact CZ-CD2 3.48Å; F131-Y166 HydrophobicContact CZ-CD2 3.48Å; F131-Y166 VanDerWaalsContact CZ-CD2 3.48Å; F131-Y166 AromaticContact CZ-CE2 3.9Å; F131-Y166 HydrophobicContact CZ-CE2 3.9Å; F131-Y166 HydrophobicContact CZ-CG 4.06Å; C148-Y166 HydrophobicContact CB-CD2 4.09Å; C148-Y166 HydrophobicContact CB-CE2 4.07Å; E149-Y166 HydrophobicContact CB-CD1 3.82Å; E149-Y166 HydrophobicContact CB-CD2 4.29Å; E149-Y166 HydrophobicContact CB-CE1 3.68Å; E149-Y166 HydrophobicContact CB-CE2 4.21Å; E149-Y166 HydrophobicContact CB-CG 4.12Å; E149-Y166 HydrophobicContact CG-CD1 3.75Å; E149-Y166 HydrophobicContact CG-CE1 3.75Å; E149-Y166 HydrophobicContact CG-CG 4.42Å; A164-Y166 VanDerWaalsContact C-N 3.27Å; A164-Y166 PolarHBondContact O-N 3.1Å; Y166-Q168 PolarHBondContact O-N 3.22Å; Y166-F169 PolarHBondContact O-N 3.1Å; Y166-A170 WeakPolarHBondContact O-CB 3.35Å; Y166-A170 PolarHBondContact O-N 3.22Å |
| 167 | D | 92.8 | Very high | 86.5 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.6 | -69.5 | -10.5 | 0 | 0 | 0 | 111.8 | Q152 A164 F169 A170 I171 | Q152-D167 PolarHBondContact NE2-OD1 2.86Å; A164-D167 PolarHBondContact O-N 3.29Å; D167-F169 PolarHBondContact O-N 3.25Å; D167-A170 PolarHBondContact O-N 3.31Å; D167-I171 WeakPolarHBondContact O-CB 3.43Å; D167-I171 WeakPolarHBondContact O-CD1 3.2Å; D167-I171 WeakPolarHBondContact O-CG1 3.45Å; D167-I171 PolarHBondContact O-N 3.5Å |
| 168 | Q | 93.8 | Very high | 88 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -50.5 | 177.8 | -74.1 | 168.2 | -12.8 | 0 | 0 | 111.6 | P27 N31 D34 A164 Y166 A172 | P27-Q168 HydrophobicContact CB-CB 3.9Å; P27-Q168 HydrophobicContact CB-CG 4.1Å; P27-Q168 WeakPolarHBondContact CB-O 3.4Å; N31-Q168 VanDerWaalsContact CB-OE1 3.23Å; N31-Q168 PolarHBondContact ND2-OE1 3.45Å; D34-Q168 PolarHBondContact OD2-NE2 2.92Å; A164-Q168 HydrophobicContact CB-CG 4.36Å; A164-Q168 VanDerWaalsContact O-CB 3.32Å; A164-Q168 WeakPolarHBondContact O-CB 3.4Å; A164-Q168 WeakPolarHBondContact O-CG 3.31Å; A164-Q168 PolarHBondContact O-N 3.35Å; Y166-Q168 PolarHBondContact O-N 3.22Å; Q168-A172 VanDerWaalsContact O-CB 3.29Å; Q168-A172 WeakPolarHBondContact O-CB 3.34Å; Q168-A172 PolarHBondContact O-N 3.35Å |
| 169 | F | 94.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.3 | -35 | -179.6 | -82 | -66.6 | 0 | 0 | 0 | 113.1 | L28 N31 L40 L41 V127 F131 F165 Y166 D167 A172 Q173 | L28-F169 HydrophobicContact CD2-CD1 3.9Å; L28-F169 HydrophobicContact CD2-CE1 3.66Å; N31-F169 VanDerWaalsContact CG-CE2 3.47Å; N31-F169 WeakPolarHBondContact ND2-CE2 3.28Å; N31-F169 WeakPolarHBondContact OD1-CE2 3.42Å; N31-F169 WeakPolarHBondContact OD1-CZ 3.3Å; L40-F169 HydrophobicContact CB-CE2 4.11Å; L40-F169 HydrophobicContact CB-CZ 4.31Å; L40-F169 HydrophobicContact CD1-CE2 4.39Å; L40-F169 HydrophobicContact CD2-CD2 4.11Å; L40-F169 HydrophobicContact CD2-CE2 3.6Å; L40-F169 HydrophobicContact CD2-CZ 4.27Å; L40-F169 HydrophobicContact CG-CE2 4.27Å; L41-F169 HydrophobicContact CD1-CE1 4.32Å; L41-F169 HydrophobicContact CD2-CD1 4.04Å; L41-F169 HydrophobicContact CD2-CE1 3.63Å; L41-F169 HydrophobicContact CD2-CZ 4.17Å; L41-F169 HydrophobicContact CG-CE1 3.88Å; L41-F169 HydrophobicContact CG-CZ 4.2Å; V127-F169 HydrophobicContact CG1-CD1 4.14Å; F131-F169 HydrophobicContact CB-CB 4.49Å; F131-F169 HydrophobicContact CD1-CB 4.05Å; F131-F169 HydrophobicContact CD2-CB 3.46Å; F131-F169 VanDerWaalsContact CD2-CB 3.46Å; F131-F169 HydrophobicContact CD2-CD2 4.07Å; F131-F169 AromaticContact CD2-CG 3.83Å; F131-F169 HydrophobicContact CD2-CG 3.83Å; F131-F169 HydrophobicContact CE1-CB 4.06Å; F131-F169 HydrophobicContact CE2-CB 3.49Å; F131-F169 VanDerWaalsContact CE2-CB 3.49Å; F131-F169 HydrophobicContact CE2-CD2 4.24Å; F131-F169 HydrophobicContact CE2-CG 4.16Å; F131-F169 HydrophobicContact CG-CB 3.75Å; F131-F169 HydrophobicContact CG-CG 4.3Å; F131-F169 HydrophobicContact CZ-CB 3.78Å; F165-F169 WeakPolarHBondContact O-CB 3.37Å; F165-F169 VanDerWaalsContact O-CD2 3.25Å; F165-F169 WeakPolarHBondContact O-CD2 3.43Å; F165-F169 PolarHBondContact O-N 3.4Å; Y166-F169 PolarHBondContact O-N 3.1Å; D167-F169 PolarHBondContact O-N 3.25Å; F169-A172 PolarHBondContact O-N 2.97Å; F169-Q173 VanDerWaalsContact O-CB 3.26Å; F169-Q173 WeakPolarHBondContact O-CB 3.49Å; F169-Q173 PolarHBondContact O-N 2.84Å |
| 170 | A | 95.4 | Very high | 91.4 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y166 D167 Q173 F174 | Y166-A170 WeakPolarHBondContact O-CB 3.35Å; Y166-A170 PolarHBondContact O-N 3.22Å; D167-A170 PolarHBondContact O-N 3.31Å; A170-Q173 PolarHBondContact O-N 3.44Å; A170-F174 PolarHBondContact O-N 3.29Å |
| 171 | I | 95.8 | Very high | 92.5 | Very high | 86 Ų | 86 | 46.4 Ų | 46.4 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.4 | -66.3 | 166.6 | 0 | 0 | 0 | 110.4 | I23 P27 D167 Q173 F174 G175 | I23-I171 HydrophobicContact CB-CG2 4.33Å; P27-I171 HydrophobicContact CG-CG2 4.27Å; D167-I171 WeakPolarHBondContact O-CB 3.43Å; D167-I171 WeakPolarHBondContact O-CD1 3.2Å; D167-I171 WeakPolarHBondContact O-CG1 3.45Å; D167-I171 PolarHBondContact O-N 3.5Å; I171-Q173 PolarHBondContact O-N 2.94Å; I171-F174 PolarHBondContact O-N 3.25Å; I171-G175 PolarHBondContact O-N 2.88Å |
| 172 | A | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P27 L28 Q168 F169 G175 L176 | P27-A172 HydrophobicContact CG-CB 4.25Å; L28-A172 HydrophobicContact CD1-CB 4.25Å; L28-A172 HydrophobicContact CD2-CB 3.71Å; L28-A172 HydrophobicContact CG-CB 3.71Å; Q168-A172 VanDerWaalsContact O-CB 3.29Å; Q168-A172 WeakPolarHBondContact O-CB 3.34Å; Q168-A172 PolarHBondContact O-N 3.35Å; F169-A172 PolarHBondContact O-N 2.97Å; A172-G175 PolarHBondContact O-N 2.99Å; A172-L176 WeakPolarHBondContact O-CB 3.09Å; A172-L176 WeakPolarHBondContact O-CG 3.25Å; A172-L176 PolarHBondContact O-N 3.49Å |
| 173 | Q | 97.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 176 | 176.8 | 175.4 | 4.2 | 0 | 0 | 111.1 | V127 S128 F169 A170 I171 L176 W177 | V127-Q173 HydrophobicContact CG1-CB 4.32Å; S128-Q173 WeakPolarHBondContact OG-CG 3.48Å; S128-Q173 PolarHBondContact OG-NE2 3.43Å; F169-Q173 VanDerWaalsContact O-CB 3.26Å; F169-Q173 WeakPolarHBondContact O-CB 3.49Å; F169-Q173 PolarHBondContact O-N 2.84Å; A170-Q173 PolarHBondContact O-N 3.44Å; I171-Q173 PolarHBondContact O-N 2.94Å; Q173-L176 PolarHBondContact O-N 3.01Å; Q173-W177 VanDerWaalsContact O-CD1 3.3Å; Q173-W177 PolarHBondContact O-N 3.49Å; Q173-W177 VanDerWaalsContact O-N 3.17Å |
| 174 | F | 97.3 | Very high | 95.7 | Very high | 134 Ų | 134 | 39.1 Ų | 39.1 | 59% | 0.588 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -58.9 | -48.6 | 175.9 | 172.5 | -98.7 | 0 | 0 | 0 | 111.2 | F20 I23 A170 I171 L176 W177 A178 | F20-F174 HydrophobicContact CE1-CE1 4.37Å; I23-F174 HydrophobicContact CD1-CD1 4.22Å; I23-F174 HydrophobicContact CD1-CE1 4.43Å; A170-F174 PolarHBondContact O-N 3.29Å; I171-F174 PolarHBondContact O-N 3.25Å; F174-L176 VanDerWaalsContact C-N 3.35Å; F174-L176 PolarHBondContact O-N 3.41Å; F174-W177 PolarHBondContact O-N 3.49Å; F174-A178 VanDerWaalsContact O-CB 3.31Å; F174-A178 WeakPolarHBondContact O-CB 3.32Å; F174-A178 PolarHBondContact O-N 2.81Å |
| 175 | G | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I171 A172 A178 A179 | I171-G175 PolarHBondContact O-N 2.88Å; A172-G175 PolarHBondContact O-N 2.99Å; G175-A178 PolarHBondContact O-N 3.01Å; G175-A179 WeakPolarHBondContact O-CB 2.97Å; G175-A179 PolarHBondContact O-N 3.42Å |
| 176 | L | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 177.9 | -82.2 | 169.6 | 0 | 0 | 0 | 112.3 | V24 T120 A123 S124 V127 A172 Q173 F174 A179 W180 | V24-L176 HydrophobicContact CB-CG 4.49Å; V24-L176 HydrophobicContact CG1-CD1 4.33Å; V24-L176 HydrophobicContact CG1-CD2 3.87Å; V24-L176 HydrophobicContact CG1-CG 3.78Å; V24-L176 HydrophobicContact CG2-CB 4.4Å; V24-L176 HydrophobicContact CG2-CD2 4.28Å; V24-L176 HydrophobicContact CG2-CG 3.82Å; V24-L176 VanDerWaalsContact CG2-N 3.31Å; T120-L176 HydrophobicContact CG2-CD2 4.31Å; A123-L176 HydrophobicContact CB-CD2 4.03Å; S124-L176 WeakPolarHBondContact OG-CB 3.45Å; S124-L176 PolarHBondContact OG-O 2.89Å; V127-L176 HydrophobicContact CB-CD1 3.86Å; V127-L176 HydrophobicContact CG1-CD1 4.27Å; V127-L176 HydrophobicContact CG2-CD1 3.51Å; A172-L176 WeakPolarHBondContact O-CB 3.09Å; A172-L176 WeakPolarHBondContact O-CG 3.25Å; A172-L176 PolarHBondContact O-N 3.49Å; Q173-L176 PolarHBondContact O-N 3.01Å; F174-L176 VanDerWaalsContact C-N 3.35Å; F174-L176 PolarHBondContact O-N 3.41Å; L176-A179 PolarHBondContact O-N 3.41Å; L176-W180 WeakPolarHBondContact O-CB 3.46Å; L176-W180 PolarHBondContact O-N 3.17Å |
| 177 | W | 98.4 | Very high | 96.8 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67 | -39.7 | 176.5 | -79.6 | 108.8 | 0 | 0 | 0 | 112.6 | F121 S128 Q173 F174 W180 L181 | F121-W177 HydrophobicContact CD2-CH2 4.25Å; F121-W177 HydrophobicContact CD2-CZ3 4.27Å; F121-W177 AromaticContact CE2-CH2 3.98Å; F121-W177 HydrophobicContact CE2-CH2 3.98Å; F121-W177 HydrophobicContact CE2-CZ3 4.29Å; S128-W177 PolarHBondContact OG-NE1 3.02Å; S128-W177 VanDerWaalsContact OG-NE1 3.13Å; Q173-W177 VanDerWaalsContact O-CD1 3.3Å; Q173-W177 PolarHBondContact O-N 3.49Å; Q173-W177 VanDerWaalsContact O-N 3.17Å; F174-W177 PolarHBondContact O-N 3.49Å; W177-W180 HydrophobicContact CE3-CD2 4.39Å; W177-W180 AromaticContact CE3-CE3 3.9Å; W177-W180 HydrophobicContact CE3-CE3 3.9Å; W177-W180 HydrophobicContact CE3-CZ3 4.42Å; W177-W180 HydrophobicContact CZ3-CD2 4.32Å; W177-W180 AromaticContact CZ3-CE3 3.98Å; W177-W180 HydrophobicContact CZ3-CE3 3.98Å; W177-W180 HydrophobicContact CZ3-CZ3 4.21Å; W177-W180 PolarHBondContact O-N 3.39Å; W177-L181 WeakPolarHBondContact O-CG 3.19Å; W177-L181 PolarHBondContact O-N 3.4Å |
| 178 | A | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F20 F174 G175 L181 T182 | F20-A178 HydrophobicContact CB-CB 4.34Å; F20-A178 HydrophobicContact CD1-CB 3.62Å; F20-A178 HydrophobicContact CD2-CB 3.77Å; F20-A178 HydrophobicContact CE1-CB 3.74Å; F20-A178 HydrophobicContact CE2-CB 3.88Å; F20-A178 HydrophobicContact CG-CB 3.65Å; F20-A178 HydrophobicContact CZ-CB 3.87Å; F174-A178 VanDerWaalsContact O-CB 3.31Å; F174-A178 WeakPolarHBondContact O-CB 3.32Å; F174-A178 PolarHBondContact O-N 2.81Å; G175-A178 PolarHBondContact O-N 3.01Å; A178-L181 PolarHBondContact O-N 3.45Å; A178-T182 WeakPolarHBondContact O-CB 3.48Å; A178-T182 PolarHBondContact O-N 2.88Å; A178-T182 PolarHBondContact O-OG1 3.47Å |
| 179 | A | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F20 T120 G175 L176 T182 W183 | F20-A179 HydrophobicContact CB-CB 3.87Å; T120-A179 HydrophobicContact CG2-CB 4.3Å; G175-A179 WeakPolarHBondContact O-CB 2.97Å; G175-A179 PolarHBondContact O-N 3.42Å; L176-A179 PolarHBondContact O-N 3.41Å; A179-T182 PolarHBondContact O-N 3.42Å; A179-W183 PolarHBondContact O-N 2.81Å |
| 180 | W | 98.4 | Very high | 96.7 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 177 | 176.6 | 77.4 | 0 | 0 | 0 | 112.2 | V117 T120 F121 L176 W177 T182 W183 L184 | V117-W180 VanDerWaalsContact O-CD1 3.28Å; T120-W180 HydrophobicContact CG2-CB 3.94Å; F121-W180 AromaticContact CD2-CE2 3.96Å; F121-W180 HydrophobicContact CD2-CZ2 4.17Å; F121-W180 AromaticContact CD2-NE1 3.84Å; L176-W180 WeakPolarHBondContact O-CB 3.46Å; L176-W180 PolarHBondContact O-N 3.17Å; W177-W180 HydrophobicContact CE3-CD2 4.39Å; W177-W180 AromaticContact CE3-CE3 3.9Å; W177-W180 HydrophobicContact CE3-CE3 3.9Å; W177-W180 HydrophobicContact CE3-CZ3 4.42Å; W177-W180 HydrophobicContact CZ3-CD2 4.32Å; W177-W180 AromaticContact CZ3-CE3 3.98Å; W177-W180 HydrophobicContact CZ3-CE3 3.98Å; W177-W180 HydrophobicContact CZ3-CZ3 4.21Å; W177-W180 PolarHBondContact O-N 3.39Å; W180-T182 VanDerWaalsContact C-N 3.26Å; W180-T182 PolarHBondContact O-N 3.36Å; W180-W183 PolarHBondContact O-N 3.46Å; W180-L184 HydrophobicContact CD2-CD1 4.2Å; W180-L184 HydrophobicContact CE3-CD1 4.22Å; W180-L184 HydrophobicContact CH2-CD1 3.36Å; W180-L184 HydrophobicContact CZ2-CD1 3.31Å; W180-L184 HydrophobicContact CZ2-CG 4.35Å; W180-L184 HydrophobicContact CZ3-CD1 3.83Å; W180-L184 WeakPolarHBondContact O-CB 3.25Å; W180-L184 PolarHBondContact O-N 3.02Å |
| 181 | L | 98.3 | Very high | 96.6 | Very high | 106 Ų | 106 | 42.5 Ų | 42.5 | 56% | 0.555 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.6 | -40.3 | 176.2 | -74.3 | 174.3 | 0 | 0 | 0 | 111.8 | W177 A178 L184 G185 | W177-L181 WeakPolarHBondContact O-CG 3.19Å; W177-L181 PolarHBondContact O-N 3.4Å; A178-L181 PolarHBondContact O-N 3.45Å; L181-L184 WeakPolarHBondContact O-CB 3.26Å; L181-L184 PolarHBondContact O-N 3.34Å; L181-G185 PolarHBondContact O-N 3.3Å |
| 182 | T | 97.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 179.3 | -55 | 0 | 0 | 0 | 0 | 111.5 | C13 L16 A17 F20 A178 A179 W180 L184 G185 I186 | C13-T182 HydrophobicContact CB-CG2 4.23Å; C13-T182 WeakPolarHBondContact O-CG2 3.42Å; L16-T182 HydrophobicContact CB-CG2 3.92Å; A17-T182 HydrophobicContact CB-CG2 3.87Å; F20-T182 WeakPolarHBondContact CD2-OG1 3.32Å; F20-T182 WeakPolarHBondContact CE2-OG1 3.37Å; A178-T182 WeakPolarHBondContact O-CB 3.48Å; A178-T182 PolarHBondContact O-N 2.88Å; A178-T182 PolarHBondContact O-OG1 3.47Å; A179-T182 PolarHBondContact O-N 3.42Å; W180-T182 VanDerWaalsContact C-N 3.26Å; W180-T182 PolarHBondContact O-N 3.36Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.37Å; T182-G185 PolarHBondContact O-N 2.96Å; T182-G185 VanDerWaalsContact O-N 3.16Å; T182-I186 HydrophobicContact CG2-CD1 4.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.13Å; T182-I186 PolarHBondContact O-N 3.49Å |
| 183 | W | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -32.2 | 174.7 | -81.3 | 111.5 | 0 | 0 | 0 | 113.1 | Y14 A17 S80 L83 A84 V116 V117 A179 W180 I186 T187 | Y14-W183 HydrophobicContact CD1-CH2 4.44Å; Y14-W183 HydrophobicContact CE1-CH2 4.17Å; Y14-W183 HydrophobicContact CE1-CZ3 4.02Å; A17-W183 HydrophobicContact CB-CZ2 4.48Å; S80-W183 PolarHBondContact OG-NE1 2.94Å; L83-W183 HydrophobicContact CB-CH2 3.98Å; L83-W183 HydrophobicContact CB-CZ2 4.2Å; A84-W183 HydrophobicContact CB-CZ2 4.18Å; V116-W183 HydrophobicContact CB-CD2 4.04Å; V116-W183 HydrophobicContact CB-CE3 4.1Å; V116-W183 HydrophobicContact CB-CG 4.45Å; V116-W183 HydrophobicContact CB-CZ3 4.4Å; V116-W183 HydrophobicContact CG1-CD2 3.54Å; V116-W183 VanDerWaalsContact CG1-CE2 3.42Å; V116-W183 HydrophobicContact CG1-CE3 4.1Å; V116-W183 HydrophobicContact CG1-CG 3.76Å; V116-W183 HydrophobicContact CG1-CH2 4.44Å; V116-W183 HydrophobicContact CG1-CZ2 3.92Å; V116-W183 HydrophobicContact CG2-CH2 4.47Å; V117-W183 HydrophobicContact CG2-CB 3.63Å; V117-W183 WeakPolarHBondContact CG2-O 3.35Å; A179-W183 PolarHBondContact O-N 2.81Å; W180-W183 PolarHBondContact O-N 3.46Å; W183-I186 HydrophobicContact CD2-CD1 4.04Å; W183-I186 HydrophobicContact CE3-CB 4.28Å; W183-I186 HydrophobicContact CE3-CD1 3.81Å; W183-I186 HydrophobicContact CE3-CG2 4.17Å; W183-I186 HydrophobicContact CZ3-CD1 4.15Å; W183-I186 HydrophobicContact CZ3-CG2 4.23Å; W183-I186 PolarHBondContact O-N 3.43Å; W183-T187 WeakPolarHBondContact O-CB 3.41Å; W183-T187 PolarHBondContact O-N 3.38Å; W183-T187 PolarHBondContact O-OG1 3.2Å |
| 184 | L | 97.9 | Very high | 95.7 | Very high | 56 Ų | 56 | 41 Ų | 41 | 29% | 0.293 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -48 | 170.6 | -116.8 | 175.5 | 0 | 0 | 0 | 110.8 | V117 W180 L181 T182 I186 T187 I188 | V117-L184 HydrophobicContact CG1-CG 4.11Å; V117-L184 HydrophobicContact CG2-CG 4.47Å; W180-L184 HydrophobicContact CD2-CD1 4.2Å; W180-L184 HydrophobicContact CE3-CD1 4.22Å; W180-L184 HydrophobicContact CH2-CD1 3.36Å; W180-L184 HydrophobicContact CZ2-CD1 3.31Å; W180-L184 HydrophobicContact CZ2-CG 4.35Å; W180-L184 HydrophobicContact CZ3-CD1 3.83Å; W180-L184 WeakPolarHBondContact O-CB 3.25Å; W180-L184 PolarHBondContact O-N 3.02Å; L181-L184 WeakPolarHBondContact O-CB 3.26Å; L181-L184 PolarHBondContact O-N 3.34Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.37Å; L184-I186 PolarHBondContact O-N 2.97Å; L184-T187 WeakPolarHBondContact O-CB 3.17Å; L184-T187 PolarHBondContact O-N 3.02Å; L184-I188 WeakPolarHBondContact O-CG1 3.45Å; L184-I188 PolarHBondContact O-N 3.42Å |
| 185 | G | 96.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L181 T182 T187 I188 L189 | L181-G185 PolarHBondContact O-N 3.3Å; T182-G185 PolarHBondContact O-N 2.96Å; T182-G185 VanDerWaalsContact O-N 3.16Å; G185-T187 VanDerWaalsContact C-N 3.31Å; G185-T187 PolarHBondContact O-N 2.92Å; G185-I188 PolarHBondContact O-N 3.37Å; G185-L189 WeakPolarHBondContact O-CG 3.44Å; G185-L189 PolarHBondContact O-N 3.26Å |
| 186 | I | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 175 | -67.9 | 164 | 0 | 0 | 0 | 110.7 | C13 Y14 A17 T182 W183 L184 L189 A190 | C13-I186 HydrophobicContact CB-CD1 4.11Å; C13-I186 HydrophobicContact CB-CG1 3.51Å; Y14-I186 HydrophobicContact CD1-CD1 3.6Å; Y14-I186 HydrophobicContact CD1-CG1 4.36Å; Y14-I186 HydrophobicContact CE1-CD1 3.77Å; Y14-I186 HydrophobicContact CE1-CG1 4.26Å; Y14-I186 HydrophobicContact CE1-CG2 3.62Å; Y14-I186 HydrophobicContact CG-CD1 4.34Å; A17-I186 HydrophobicContact CB-CD1 4.09Å; T182-I186 HydrophobicContact CG2-CD1 4.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.13Å; T182-I186 PolarHBondContact O-N 3.49Å; W183-I186 HydrophobicContact CD2-CD1 4.04Å; W183-I186 HydrophobicContact CE3-CB 4.28Å; W183-I186 HydrophobicContact CE3-CD1 3.81Å; W183-I186 HydrophobicContact CE3-CG2 4.17Å; W183-I186 HydrophobicContact CZ3-CD1 4.15Å; W183-I186 HydrophobicContact CZ3-CG2 4.23Å; W183-I186 PolarHBondContact O-N 3.43Å; L184-I186 PolarHBondContact O-N 2.97Å; I186-L189 PolarHBondContact O-N 2.86Å; I186-A190 WeakPolarHBondContact O-CB 3.45Å; I186-A190 PolarHBondContact O-N 3.42Å |
| 187 | T | 96.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | L110 S113 A114 V117 W183 L184 G185 A190 F191 | L110-T187 HydrophobicContact CD1-CG2 3.81Å; S113-T187 VanDerWaalsContact CB-OG1 3.31Å; S113-T187 WeakPolarHBondContact CB-OG1 3.27Å; S113-T187 PolarHBondContact O-OG1 2.93Å; S113-T187 WeakPolarHBondContact OG-CA 3.5Å; S113-T187 PolarHBondContact OG-OG1 3.11Å; A114-T187 HydrophobicContact CB-CG2 4.21Å; V117-T187 WeakPolarHBondContact CG2-OG1 3.22Å; W183-T187 WeakPolarHBondContact O-CB 3.41Å; W183-T187 PolarHBondContact O-N 3.38Å; W183-T187 PolarHBondContact O-OG1 3.2Å; L184-T187 WeakPolarHBondContact O-CB 3.17Å; L184-T187 PolarHBondContact O-N 3.02Å; G185-T187 VanDerWaalsContact C-N 3.31Å; G185-T187 PolarHBondContact O-N 2.92Å; T187-A190 PolarHBondContact O-N 2.91Å; T187-F191 WeakPolarHBondContact O-CB 3.37Å; T187-F191 PolarHBondContact O-N 3.27Å |
| 188 | I | 95.3 | Very high | 93.6 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.7 | -66.9 | 163.9 | 0 | 0 | 0 | 110.5 | L184 G185 A190 F191 L192 | L184-I188 WeakPolarHBondContact O-CG1 3.45Å; L184-I188 PolarHBondContact O-N 3.42Å; G185-I188 PolarHBondContact O-N 3.37Å; I188-A190 VanDerWaalsContact C-N 3.34Å; I188-A190 PolarHBondContact O-N 3.48Å; I188-F191 PolarHBondContact O-N 2.96Å; I188-L192 HydrophobicContact CG2-CD1 4.1Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.4Å |
| 189 | L | 92.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.3 | -67.7 | 174.1 | 0 | 0 | 0 | 112 | F6 A9 Q10 G185 I186 L192 K193 | F6-L189 HydrophobicContact CD1-CD2 4.07Å; F6-L189 HydrophobicContact CE1-CD2 4.27Å; A9-L189 HydrophobicContact CB-CD1 4.1Å; Q10-L189 HydrophobicContact CG-CB 3.97Å; Q10-L189 HydrophobicContact CG-CD1 3.97Å; G185-L189 WeakPolarHBondContact O-CG 3.44Å; G185-L189 PolarHBondContact O-N 3.26Å; I186-L189 PolarHBondContact O-N 2.86Å; L189-L192 PolarHBondContact O-N 2.86Å; L189-K193 WeakPolarHBondContact O-CB 3.28Å; L189-K193 PolarHBondContact O-N 3.47Å |
| 190 | A | 92.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L110 I186 T187 I188 K193 V194 | L110-A190 HydrophobicContact CB-CB 4.16Å; L110-A190 HydrophobicContact CD1-CB 4.2Å; I186-A190 WeakPolarHBondContact O-CB 3.45Å; I186-A190 PolarHBondContact O-N 3.42Å; T187-A190 PolarHBondContact O-N 2.91Å; I188-A190 VanDerWaalsContact C-N 3.34Å; I188-A190 PolarHBondContact O-N 3.48Å; A190-K193 WeakPolarHBondContact O-CB 3.33Å; A190-K193 PolarHBondContact O-N 2.89Å; A190-V194 WeakPolarHBondContact O-CG2 3.07Å; A190-V194 PolarHBondContact O-N 3.34Å |
| 191 | F | 92.8 | Very high | 91.8 | Very high | 114 Ų | 114 | 60.7 Ų | 60.7 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 175.3 | 176 | -97.4 | 0 | 0 | 0 | 111.5 | L110 T187 I188 K193 V194 Y195 | L110-F191 HydrophobicContact CD1-CB 3.93Å; L110-F191 HydrophobicContact CD2-CB 4.49Å; L110-F191 HydrophobicContact CD2-CD2 4.21Å; T187-F191 WeakPolarHBondContact O-CB 3.37Å; T187-F191 PolarHBondContact O-N 3.27Å; I188-F191 PolarHBondContact O-N 2.96Å; F191-K193 VanDerWaalsContact C-N 3.27Å; F191-K193 PolarHBondContact O-N 3.27Å; F191-V194 PolarHBondContact O-N 2.9Å; F191-Y195 WeakPolarHBondContact O-CB 3.48Å; F191-Y195 PolarHBondContact O-N 3.48Å |
| 192 | L | 91.1 | Very high | 91.3 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 176.8 | -70.3 | 171.9 | 0 | 0 | 0 | 111.9 | F6 I188 L189 H196 | F6-L192 HydrophobicContact CE1-CB 4.05Å; F6-L192 HydrophobicContact CE1-CD1 4.15Å; I188-L192 HydrophobicContact CG2-CD1 4.1Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.4Å; L189-L192 PolarHBondContact O-N 2.86Å; L192-H196 WeakPolarHBondContact O-CB 3.31Å; L192-H196 PolarHBondContact O-N 2.95Å |
| 193 | K | 88.6 | Confident | 90.8 | Very high | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 175.4 | -173.7 | 175.4 | 179.4 | 175.8 | 0 | 111.8 | D101 L189 A190 F191 Y195 H196 N197 | D101-K193 IonicContact OD2-NZ 3.77Å; D101-K193 PolarHBondContact OD2-NZ 2.89Å; L189-K193 WeakPolarHBondContact O-CB 3.28Å; L189-K193 PolarHBondContact O-N 3.47Å; A190-K193 WeakPolarHBondContact O-CB 3.33Å; A190-K193 PolarHBondContact O-N 2.89Å; F191-K193 VanDerWaalsContact C-N 3.27Å; F191-K193 PolarHBondContact O-N 3.27Å; K193-Y195 VanDerWaalsContact C-N 3.34Å; K193-Y195 PolarHBondContact O-N 2.91Å; K193-H196 PolarHBondContact O-N 3.1Å; K193-N197 WeakPolarHBondContact O-CB 3.4Å; K193-N197 PolarHBondContact O-N 2.94Å; K193-N197 PolarHBondContact O-OD1 2.92Å |
| 194 | V | 90.4 | Very high | 90.4 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F103 A106 L110 A190 F191 H196 N197 Y198 | F103-V194 HydrophobicContact CE2-CG1 3.84Å; F103-V194 HydrophobicContact CZ-CG1 4.42Å; A106-V194 HydrophobicContact CB-CG2 3.69Å; A106-V194 WeakPolarHBondContact O-CG2 3.37Å; L110-V194 HydrophobicContact CB-CG2 4.38Å; L110-V194 HydrophobicContact CD2-CG2 4.34Å; A190-V194 WeakPolarHBondContact O-CG2 3.07Å; A190-V194 PolarHBondContact O-N 3.34Å; F191-V194 PolarHBondContact O-N 2.9Å; V194-H196 PolarHBondContact O-N 3.17Å; V194-N197 PolarHBondContact O-N 3.03Å; V194-Y198 WeakPolarHBondContact O-CB 3.11Å; V194-Y198 PolarHBondContact O-N 3.13Å |
| 195 | Y | 89.4 | Confident | 90 | Very high | 128 Ų | 128 | 70.5 Ų | 70.5 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 178.8 | 180 | -103.2 | 0 | 0 | 0 | 112.3 | F191 K193 R199 | F191-Y195 WeakPolarHBondContact O-CB 3.48Å; F191-Y195 PolarHBondContact O-N 3.48Å; K193-Y195 VanDerWaalsContact C-N 3.34Å; K193-Y195 PolarHBondContact O-N 2.91Å; Y195-R199 WeakPolarHBondContact O-CB 3.04Å; Y195-R199 PolarHBondContact O-N 3.48Å |
| 196 | H | 86.3 | Confident | 89.6 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 38% | 0.375 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 176.6 | -167.1 | 72.4 | 0 | 0 | 0 | 111.8 | L192 K193 V194 R199 Q200 | L192-H196 WeakPolarHBondContact O-CB 3.31Å; L192-H196 PolarHBondContact O-N 2.95Å; K193-H196 PolarHBondContact O-N 3.1Å; V194-H196 PolarHBondContact O-N 3.17Å; H196-R199 PolarHBondContact O-N 3.49Å; H196-Q200 PolarHBondContact NE2-NE2 3.45Å; H196-Q200 WeakPolarHBondContact O-CG 3.27Å; H196-Q200 PolarHBondContact O-N 2.84Å |
| 197 | N | 85.2 | Confident | 89.5 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 178.5 | -72.9 | 14.3 | 0 | 0 | 0 | 111.2 | F103 K193 V194 R199 Q200 E201 | F103-N197 HydrophobicContact CD2-CB 4.18Å; K193-N197 WeakPolarHBondContact O-CB 3.4Å; K193-N197 PolarHBondContact O-N 2.94Å; K193-N197 PolarHBondContact O-OD1 2.92Å; V194-N197 PolarHBondContact O-N 3.03Å; N197-R199 VanDerWaalsContact C-N 3.33Å; N197-R199 PolarHBondContact O-N 3.08Å; N197-Q200 PolarHBondContact O-N 3.39Å; N197-Q200 VanDerWaalsContact O-N 3.15Å; N197-E201 PolarHBondContact O-N 3.29Å |
| 198 | Y | 87.4 | Confident | 89.3 | Confident | 132 Ų | 132 | 79.8 Ų | 79.8 | 52% | 0.518 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.4 | -46.5 | 175.7 | 176.3 | -97.3 | 0 | 0 | 0 | 111.9 | V194 Q200 E201 D202 | V194-Y198 WeakPolarHBondContact O-CB 3.11Å; V194-Y198 PolarHBondContact O-N 3.13Å; Y198-Q200 VanDerWaalsContact C-N 3.31Å; Y198-Q200 PolarHBondContact O-N 3.28Å; Y198-E201 PolarHBondContact O-N 3.47Å; Y198-D202 PolarHBondContact O-N 2.9Å |
| 199 | R | 87.6 | Confident | 89.1 | Confident | 144 Ų | 144 | 80.6 Ų | 80.6 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 179 | -172 | 177.2 | 178.2 | -174.9 | 0.7 | 112.6 | Y195 H196 N197 L203 | Y195-R199 WeakPolarHBondContact O-CB 3.04Å; Y195-R199 PolarHBondContact O-N 3.48Å; H196-R199 PolarHBondContact O-N 3.49Å; N197-R199 VanDerWaalsContact C-N 3.33Å; N197-R199 PolarHBondContact O-N 3.08Å; R199-L203 HydrophobicContact CG-CD1 4.38Å; R199-L203 WeakPolarHBondContact O-CB 3.38Å; R199-L203 WeakPolarHBondContact O-CD1 3.24Å; R199-L203 VanDerWaalsContact O-CG 3.24Å; R199-L203 WeakPolarHBondContact O-CG 3.41Å; R199-L203 PolarHBondContact O-N 3.15Å; R199-L203 VanDerWaalsContact O-N 3.16Å |
| 200 | Q | 85 | Confident | 89.1 | Confident | 106 Ų | 106 | 84.9 Ų | 84.9 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 175.7 | -78.4 | -170.8 | -37.9 | 0 | 0 | 112.2 | H196 N197 Y198 L203 L204 | H196-Q200 PolarHBondContact NE2-NE2 3.45Å; H196-Q200 WeakPolarHBondContact O-CG 3.27Å; H196-Q200 PolarHBondContact O-N 2.84Å; N197-Q200 PolarHBondContact O-N 3.39Å; N197-Q200 VanDerWaalsContact O-N 3.15Å; Y198-Q200 VanDerWaalsContact C-N 3.31Å; Y198-Q200 PolarHBondContact O-N 3.28Å; Q200-L203 PolarHBondContact O-N 3.39Å; Q200-L204 WeakPolarHBondContact O-CB 3.42Å; Q200-L204 PolarHBondContact O-N 3.21Å |
| 201 | E | 84.4 | Confident | 89.1 | Confident | 90 Ų | 90 | 91.1 Ų | 91.1 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 174.9 | -72.1 | 177.3 | 175.8 | 0 | 0 | 111 | F103 N197 Y198 L203 L204 D205 | F103-E201 WeakPolarHBondContact CB-OE1 3.11Å; N197-E201 PolarHBondContact O-N 3.29Å; Y198-E201 PolarHBondContact O-N 3.47Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.48Å; E201-L204 WeakPolarHBondContact O-CB 3.19Å; E201-L204 PolarHBondContact O-N 3.08Å; E201-L204 VanDerWaalsContact O-N 3.08Å; E201-D205 PolarHBondContact O-N 2.91Å |
| 202 | D | 86.9 | Confident | 89.1 | Confident | 84 Ų | 84 | 91.6 Ų | 91.6 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 178 | -173.8 | 59.2 | 0 | 0 | 0 | 113.1 | Y198 S206 | Y198-D202 PolarHBondContact O-N 2.9Å; D202-S206 WeakPolarHBondContact O-CB 3.46Å; D202-S206 PolarHBondContact O-N 2.96Å; D202-S206 PolarHBondContact O-OG 2.82Å |
| 203 | L | 87.9 | Confident | 89.1 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 173.9 | -75.5 | 170.7 | 0 | 0 | 0 | 112 | R199 Q200 E201 S206 L207 | R199-L203 HydrophobicContact CG-CD1 4.38Å; R199-L203 WeakPolarHBondContact O-CB 3.38Å; R199-L203 WeakPolarHBondContact O-CD1 3.24Å; R199-L203 VanDerWaalsContact O-CG 3.24Å; R199-L203 WeakPolarHBondContact O-CG 3.41Å; R199-L203 PolarHBondContact O-N 3.15Å; R199-L203 VanDerWaalsContact O-N 3.16Å; Q200-L203 PolarHBondContact O-N 3.39Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.48Å; L203-S206 PolarHBondContact O-N 2.93Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.46Å; L203-L207 PolarHBondContact O-N 3.2Å |
| 204 | L | 88.3 | Confident | 89.2 | Confident | 102 Ų | 102 | 98.2 Ų | 98.2 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 179.2 | -174.2 | 63.5 | 0 | 0 | 0 | 111 | Q200 E201 S206 L207 I208 | Q200-L204 WeakPolarHBondContact O-CB 3.42Å; Q200-L204 PolarHBondContact O-N 3.21Å; E201-L204 WeakPolarHBondContact O-CB 3.19Å; E201-L204 PolarHBondContact O-N 3.08Å; E201-L204 VanDerWaalsContact O-N 3.08Å; L204-S206 VanDerWaalsContact C-N 3.33Å; L204-S206 PolarHBondContact O-N 3.41Å; L204-L207 PolarHBondContact O-N 3.01Å; L204-I208 HydrophobicContact CD1-CD1 4.47Å; L204-I208 HydrophobicContact CG-CD1 3.99Å; L204-I208 VanDerWaalsContact O-CG1 3.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.37Å |
| 205 | D | 89.6 | Confident | 89.2 | Confident | 104 Ų | 104 | 102.5 Ų | 102.5 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 177.2 | -76.3 | -13.5 | 0 | 0 | 0 | 111.5 | E201 L207 I208 H209 | E201-D205 PolarHBondContact O-N 2.91Å; D205-L207 VanDerWaalsContact C-N 3.35Å; D205-L207 PolarHBondContact O-N 2.97Å; D205-I208 PolarHBondContact O-N 3.28Å; D205-H209 WeakPolarHBondContact O-CB 3.33Å; D205-H209 PolarHBondContact O-N 3.45Å |
| 206 | S | 89.6 | Confident | 89 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | D202 L203 L204 H209 E210 | D202-S206 WeakPolarHBondContact O-CB 3.46Å; D202-S206 PolarHBondContact O-N 2.96Å; D202-S206 PolarHBondContact O-OG 2.82Å; L203-S206 PolarHBondContact O-N 2.93Å; L204-S206 VanDerWaalsContact C-N 3.33Å; L204-S206 PolarHBondContact O-N 3.41Å; S206-H209 PolarHBondContact O-N 3.33Å; S206-E210 PolarHBondContact O-N 3.04Å |
| 207 | L | 92.7 | Very high | 88.6 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69 | -36.9 | 178.3 | -72.1 | 171.7 | 0 | 0 | 0 | 112.6 | L203 L204 D205 K211 | L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.46Å; L203-L207 PolarHBondContact O-N 3.2Å; L204-L207 PolarHBondContact O-N 3.01Å; D205-L207 VanDerWaalsContact C-N 3.35Å; D205-L207 PolarHBondContact O-N 2.97Å; L207-K211 VanDerWaalsContact O-CB 3.3Å; L207-K211 WeakPolarHBondContact O-CB 3.47Å; L207-K211 PolarHBondContact O-N 2.04Å |
| 208 | I | 91.6 | Very high | 88.2 | Confident | 73 Ų | 73 | 104.8 Ų | 104.8 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 174.6 | -69.8 | 164.2 | 0 | 0 | 0 | 109.7 | L204 D205 E210 K211 E212 | L204-I208 HydrophobicContact CD1-CD1 4.47Å; L204-I208 HydrophobicContact CG-CD1 3.99Å; L204-I208 VanDerWaalsContact O-CG1 3.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.37Å; D205-I208 PolarHBondContact O-N 3.28Å; I208-E210 PolarHBondContact O-N 2.93Å; I208-K211 WeakPolarHBondContact O-CB 3.49Å; I208-K211 PolarHBondContact O-N 3.14Å; I208-E212 WeakPolarHBondContact O-CG 3.46Å; I208-E212 PolarHBondContact O-N 3.2Å |
| 209 | H | 91.5 | Very high | 87.5 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.7 | -170.6 | 66.8 | 0 | 0 | 0 | 112.1 | D205 S206 K211 E212 L213 | D205-H209 WeakPolarHBondContact O-CB 3.33Å; D205-H209 PolarHBondContact O-N 3.45Å; S206-H209 PolarHBondContact O-N 3.33Å; H209-K211 VanDerWaalsContact C-N 3.34Å; H209-K211 PolarHBondContact O-N 3Å; H209-E212 PolarHBondContact O-N 2.97Å; H209-L213 WeakPolarHBondContact O-CG 3.41Å; H209-L213 PolarHBondContact O-N 3.38Å |
| 210 | E | 91.9 | Very high | 86.7 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 173.7 | -96.1 | -168.7 | 155.1 | 0 | 0 | 112.3 | S206 I208 E212 L213 L214 | S206-E210 PolarHBondContact O-N 3.04Å; I208-E210 PolarHBondContact O-N 2.93Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E210-E212 PolarHBondContact O-N 2.93Å; E210-L213 PolarHBondContact O-N 3.1Å; E210-L214 WeakPolarHBondContact O-CG 3.08Å; E210-L214 PolarHBondContact O-N 3.22Å |
| 211 | K | 92.6 | Very high | 85.9 | Confident | 134 Ų | 134 | 101.4 Ų | 101.4 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 177.1 | 179.4 | -174.2 | 174.4 | -175.5 | 0 | 111.5 | L207 I208 H209 L214 L215 | L207-K211 VanDerWaalsContact O-CB 3.3Å; L207-K211 WeakPolarHBondContact O-CB 3.47Å; L207-K211 PolarHBondContact O-N 2.04Å; I208-K211 WeakPolarHBondContact O-CB 3.49Å; I208-K211 PolarHBondContact O-N 3.14Å; H209-K211 VanDerWaalsContact C-N 3.34Å; H209-K211 PolarHBondContact O-N 3Å; K211-L214 PolarHBondContact O-N 3.23Å; K211-L215 HydrophobicContact CG-CD1 4.09Å; K211-L215 WeakPolarHBondContact O-CG 3.45Å; K211-L215 PolarHBondContact O-N 3.32Å |
| 212 | E | 92 | Very high | 85 | Confident | 123 Ų | 123 | 100.7 Ų | 100.7 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 177.7 | -72.5 | -179.6 | 175.3 | 0 | 0 | 112 | I208 H209 E210 L214 L215 G216 | I208-E212 WeakPolarHBondContact O-CG 3.46Å; I208-E212 PolarHBondContact O-N 3.2Å; H209-E212 PolarHBondContact O-N 2.97Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E210-E212 PolarHBondContact O-N 2.93Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 2.92Å; E212-L215 PolarHBondContact O-N 2.91Å; E212-G216 PolarHBondContact O-N 2.99Å |
| 213 | L | 91.4 | Very high | 83.9 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.8 | -71.4 | 173.8 | 0 | 0 | 0 | 112.1 | H209 E210 R217 | H209-L213 WeakPolarHBondContact O-CG 3.41Å; H209-L213 PolarHBondContact O-N 3.38Å; E210-L213 PolarHBondContact O-N 3.1Å; L213-R217 WeakPolarHBondContact O-CB 3.27Å; L213-R217 PolarHBondContact O-N 3.41Å |
| 214 | L | 90.9 | Very high | 82.7 | Confident | 121 Ų | 121 | 100.5 Ų | 100.5 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 177.8 | -69.9 | 174.8 | 0 | 0 | 0 | 112.2 | E210 K211 E212 R217 S218 | E210-L214 WeakPolarHBondContact O-CG 3.08Å; E210-L214 PolarHBondContact O-N 3.22Å; K211-L214 PolarHBondContact O-N 3.23Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 2.92Å; L214-R217 PolarHBondContact O-N 3.44Å; L214-S218 WeakPolarHBondContact O-CB 3.21Å; L214-S218 PolarHBondContact O-N 2.92Å |
| 215 | L | 90.4 | Very high | 81.4 | Confident | 107 Ų | 107 | 102.3 Ų | 102.3 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 176.3 | -72.7 | 171.2 | 0 | 0 | 0 | 111.8 | K211 E212 R217 S218 S219 | K211-L215 HydrophobicContact CG-CD1 4.09Å; K211-L215 WeakPolarHBondContact O-CG 3.45Å; K211-L215 PolarHBondContact O-N 3.32Å; E212-L215 PolarHBondContact O-N 2.91Å; L215-R217 PolarHBondContact O-N 2.77Å; L215-S218 PolarHBondContact O-N 3.45Å; L215-S219 PolarHBondContact O-N 3.38Å |
| 216 | G | 85.3 | Confident | 80 | Confident | 44 Ų | 44 | 102.7 Ų | 102.7 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E212 S219 S220 | E212-G216 PolarHBondContact O-N 2.99Å; G216-S219 PolarHBondContact O-N 3.42Å; G216-S220 PolarHBondContact O-N 3.48Å; G216-S220 VanDerWaalsContact O-N 3.11Å |
| 217 | R | 78 | Confident | 78.6 | Confident | 165 Ų | 165 | 107 Ų | 107 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.6 | -35.4 | 177.8 | -166.9 | 173.4 | -175.8 | 174.6 | 1.8 | 112.9 | L213 L214 L215 R221 | L213-R217 WeakPolarHBondContact O-CB 3.27Å; L213-R217 PolarHBondContact O-N 3.41Å; L214-R217 PolarHBondContact O-N 3.44Å; L215-R217 PolarHBondContact O-N 2.77Å; R217-R221 PolarHBondContact O-N 3.44Å |
| 218 | S | 77.3 | Confident | 77 | Confident | 69 Ų | 69 | 109.9 Ų | 109.9 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -48.4 | 173 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | L214 L215 S220 R221 T222 | L214-S218 WeakPolarHBondContact O-CB 3.21Å; L214-S218 PolarHBondContact O-N 2.92Å; L215-S218 PolarHBondContact O-N 3.45Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 2.68Å; S218-R221 PolarHBondContact O-N 2.85Å; S218-R221 VanDerWaalsContact O-N 3.15Å; S218-T222 PolarHBondContact O-N 3.14Å; S218-T222 PolarHBondContact O-OG1 2.94Å; S218-T222 VanDerWaalsContact O-OG1 3.04Å |
| 219 | S | 71.9 | Confident | 75.4 | Confident | 81 Ų | 81 | 110.2 Ų | 110.2 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.8 | -42.1 | 179.6 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | L215 G216 T222 S223 | L215-S219 PolarHBondContact O-N 3.38Å; G216-S219 PolarHBondContact O-N 3.42Å; S219-T222 PolarHBondContact O-N 2.78Å; S219-S223 PolarHBondContact O-N 2.93Å |
| 220 | S | 70.9 | Confident | 73.8 | Confident | 65 Ų | 65 | 108.2 Ų | 108.2 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -34.5 | 177.9 | 175 | 0 | 0 | 0 | 0 | 113 | G216 S218 S223 L224 | G216-S220 PolarHBondContact O-N 3.48Å; G216-S220 VanDerWaalsContact O-N 3.11Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 2.68Å; S220-S223 PolarHBondContact O-OG 3.45Å; S220-L224 PolarHBondContact O-N 3.09Å |
| 221 | R | 68.3 | Low | 71.9 | Confident | 165 Ų | 165 | 110.6 Ų | 110.6 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.8 | -40.1 | 174.3 | -81.8 | -178.8 | 169.5 | 173.9 | -3.6 | 112.1 | R217 S218 L224 Q225 | R217-R221 PolarHBondContact O-N 3.44Å; S218-R221 PolarHBondContact O-N 2.85Å; S218-R221 VanDerWaalsContact O-N 3.15Å; R221-L224 PolarHBondContact O-N 2.97Å; R221-Q225 WeakPolarHBondContact O-CB 3.35Å; R221-Q225 PolarHBondContact O-N 3.15Å |
| 222 | T | 65.6 | Low | 69.6 | Low | 75 Ų | 75 | 114.4 Ų | 114.4 | 46% | 0.46 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -44.5 | 177.4 | -49 | 0 | 0 | 0 | 0 | 111.3 | S218 S219 L224 Q225 D226 | S218-T222 PolarHBondContact O-N 3.14Å; S218-T222 PolarHBondContact O-OG1 2.94Å; S218-T222 VanDerWaalsContact O-OG1 3.04Å; S219-T222 PolarHBondContact O-N 2.78Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 2.66Å; T222-Q225 PolarHBondContact O-N 2.92Å; T222-Q225 VanDerWaalsContact O-N 3.12Å; T222-D226 PolarHBondContact O-N 2.79Å |
| 223 | S | 63.8 | Low | 68.5 | Low | 62 Ų | 62 | 114 Ų | 114 | 43% | 0.434 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.6 | -40.2 | 178.2 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | S219 S220 Q225 D226 E227 | S219-S223 PolarHBondContact O-N 2.93Å; S220-S223 PolarHBondContact O-OG 3.45Å; S223-Q225 PolarHBondContact O-N 3.18Å; S223-D226 PolarHBondContact O-N 2.72Å; S223-E227 WeakPolarHBondContact O-CB 3.49Å; S223-E227 PolarHBondContact O-N 2.98Å |
| 224 | L | 63.4 | Low | 67.3 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.9 | -28 | 177.3 | -125.4 | 116.8 | 0 | 0 | 0 | 112.7 | S220 R221 T222 K228 | S220-L224 PolarHBondContact O-N 3.09Å; R221-L224 PolarHBondContact O-N 2.97Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 2.66Å; L224-K228 WeakPolarHBondContact O-CB 3.39Å; L224-K228 PolarHBondContact O-N 2.93Å |
| 225 | Q | 61.8 | Low | 66 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.3 | -32.6 | -179.6 | -163.2 | 162.6 | -4.5 | 0 | 0 | 112.2 | R221 T222 S223 S229 | R221-Q225 WeakPolarHBondContact O-CB 3.35Å; R221-Q225 PolarHBondContact O-N 3.15Å; T222-Q225 PolarHBondContact O-N 2.92Å; T222-Q225 VanDerWaalsContact O-N 3.12Å; S223-Q225 PolarHBondContact O-N 3.18Å; Q225-S229 PolarHBondContact O-N 3.33Å; Q225-S229 VanDerWaalsContact O-N 3.11Å; Q225-S229 PolarHBondContact O-OG 2.85Å |
| 226 | D | 59.8 | Low | 64.6 | Low | 113 Ų | 113 | 114.5 Ų | 114.5 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.4 | -43 | 170.2 | -81.4 | -24.8 | 0 | 0 | 0 | 111.7 | T222 S223 K228 S229 G230 | T222-D226 PolarHBondContact O-N 2.79Å; S223-D226 PolarHBondContact O-N 2.72Å; D226-K228 PolarHBondContact O-N 3.29Å; D226-S229 PolarHBondContact O-N 3.1Å; D226-S229 VanDerWaalsContact O-N 3.15Å; D226-G230 PolarHBondContact O-N 3.12Å |
| 227 | E | 59.3 | Low | 63.3 | Low | 151 Ų | 151 | 118.9 Ų | 118.9 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.1 | -36.4 | 176.4 | -164.3 | -180 | 149.8 | 0 | 0 | 111.7 | S223 | S223-E227 WeakPolarHBondContact O-CB 3.49Å; S223-E227 PolarHBondContact O-N 2.98Å |
| 228 | K | 59 | Low | 62.3 | Low | 169 Ų | 169 | 115.9 Ų | 115.9 | 74% | 0.735 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.1 | -24.2 | 177.9 | -146.8 | 178.4 | -171.6 | -177.6 | 0 | 113.7 | L224 D226 | L224-K228 WeakPolarHBondContact O-CB 3.39Å; L224-K228 PolarHBondContact O-N 2.93Å; D226-K228 PolarHBondContact O-N 3.29Å |
| 229 | S | 59.4 | Low | 61.2 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -88 | -26.4 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 113.2 | Q225 D226 M231 | Q225-S229 PolarHBondContact O-N 3.33Å; Q225-S229 VanDerWaalsContact O-N 3.11Å; Q225-S229 PolarHBondContact O-OG 2.85Å; D226-S229 PolarHBondContact O-N 3.1Å; D226-S229 VanDerWaalsContact O-N 3.15Å; S229-M231 PolarHBondContact O-N 3.3Å |
| 230 | G | 56 | Low | 60.4 | Low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -1.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | D226 | D226-G230 PolarHBondContact O-N 3.12Š|
| 231 | M | 52.8 | Low | 59.5 | Low | 171 Ų | 171 | 126.9 Ų | 126.9 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 12.3 | -178.2 | -118.2 | -173.4 | 172.2 | 0 | 0 | 114.1 | S229 | S229-M231 PolarHBondContact O-N 3.3Š|
| 232 | I | 45.4 | Very low | 58.7 | Low | 213 Ų | 213 | 123.5 Ų | 123.5 | 100% | 1.092 | 67% | 0.673 | S | S | * | * | trans | -103.5 | 0 | 177.6 | -55 | 179 | 0 | 0 | 0 | 110.5 |
Retrieved 232 of 232 residues in 62.7 ms
(Link to these results)