| 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 | G | 96.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | 0 | -146.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y14 G15 | G1-Y14 WeakPolarHBondContact O-CB 3.02Å; G1-Y14 PolarHBondContact O-N 2.98Å; G1-G15 PolarHBondContact O-N 3.09Å | |||
| 2 | F | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | trans | -140.1 | 17.2 | -163.1 | -62.9 | -74 | 0 | 0 | 0 | 115.6 | S4 L16 F141 G142 P143 | F2-S4 PolarHBondContact O-N 3.22Å; F2-L16 HydrophobicContact CE1-CG 4.39Å; F2-F141 HydrophobicContact CB-CB 4.27Å; F2-G142 WeakPolarHBondContact CB-O 3.37Å; F2-G142 VanDerWaalsContact CG-CA 3.48Å; F2-P143 HydrophobicContact CE1-CG 4.27Å | ||
| 3 | L | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | trans | -66.1 | 128.7 | 174.1 | -176.7 | 143.2 | 0 | 0 | 0 | 109.8 | A10 Y14 A98 L101 L119 F141 | L3-A10 HydrophobicContact CD2-CB 3.87Å; L3-Y14 WeakPolarHBondContact O-CE2 3.46Å; L3-A98 HydrophobicContact CD1-CB 4.48Å; L3-A98 HydrophobicContact CG-CB 4.22Å; L3-L101 HydrophobicContact CD1-CD2 3.85Å; L3-L119 HydrophobicContact CD1-CD1 3.64Å; L3-L119 HydrophobicContact CD2-CD1 4.44Å; L3-F141 HydrophobicContact CD1-CE1 4.48Å | ||
| 4 | S | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | trans | -135.8 | 139.6 | 173.2 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | F2 G6 A10 K11 P94 A98 | F2-S4 PolarHBondContact O-N 3.22Å; S4-G6 PolarHBondContact OG-N 3.09Å; S4-G6 VanDerWaalsContact OG-N 3.16Å; S4-A10 CarbonylContact C-O 3.46Å; S4-A10 WeakPolarHBondContact CA-O 3.45Å; S4-A10 PolarHBondContact OG-O 2.85Å; S4-K11 WeakPolarHBondContact CB-O 3.22Å; S4-K11 PolarHBondContact OG-O 3.45Å; S4-P94 CarbonylContact O-C 3.43Å; S4-A98 VanDerWaalsContact O-CB 3.26Å; S4-A98 WeakPolarHBondContact O-CB 3.05Å | ||
| 5 | T | 98.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | trans | -87.9 | -5.2 | 174.7 | 43 | 0 | 0 | 0 | 0 | 112.9 | D7 A10 A95 T112 L115 V116 | T5-D7 VanDerWaalsContact CB-OD1 3.31Å; T5-D7 WeakPolarHBondContact CB-OD1 3.34Å; T5-D7 PolarHBondContact OG1-OD1 2.89Å; T5-A10 HydrophobicContact CG2-CB 4.29Å; T5-A10 PolarHBondContact N-O 2.9Å; T5-A10 PolarHBondContact OG1-N 3.24Å; T5-A10 PolarHBondContact OG1-O 3.37Å; T5-A95 VanDerWaalsContact O-CB 3.23Å; T5-A95 WeakPolarHBondContact O-CB 3.4Å; T5-T112 HydrophobicContact CG2-CG2 4.23Å; T5-L115 HydrophobicContact CG2-CD2 4.49Å; T5-V116 HydrophobicContact CG2-CG2 3.78Å | ||
| 6 | G | 97.5 | Very high | 98.3 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 62% | 0.619 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 72.1 | 14.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S4 | S4-G6 PolarHBondContact OG-N 3.09Å; S4-G6 VanDerWaalsContact OG-N 3.16Å |
| 7 | D | 98.1 | Very high | 98.3 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -146.3 | -169.3 | 178.9 | 67.6 | 22.6 | 0 | 0 | 0 | 110.8 | T5 A9 A10 T112 | T5-D7 VanDerWaalsContact CB-OD1 3.31Å; T5-D7 WeakPolarHBondContact CB-OD1 3.34Å; T5-D7 PolarHBondContact OG1-OD1 2.89Å; D7-A9 VanDerWaalsContact C-N 3.29Å; D7-A9 PolarHBondContact O-N 3.04Å; D7-A9 VanDerWaalsContact OD1-CB 3.26Å; D7-A9 WeakPolarHBondContact OD1-CB 3.38Å; D7-A9 PolarHBondContact OD1-N 3.35Å; D7-A10 CarbonylContact O-C 3.54Å; D7-T112 VanDerWaalsContact OD2-CB 3.26Å; D7-T112 WeakPolarHBondContact OD2-CB 3.35Å; D7-T112 VanDerWaalsContact OD2-CG2 3.29Å; D7-T112 WeakPolarHBondContact OD2-CG2 3.35Å; D7-T112 PolarHBondContact OD2-OG1 3.4Å |
| 8 | Q | 98 | Very high | 98.3 | Very high | 149 Ų | 149 | 44.9 Ų | 44.9 | 70% | 0.696 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -11.3 | -176.5 | -59.4 | -59.9 | -54.7 | 0 | 0 | 114.6 | ||
| 9 | A | 98.2 | Very high | 98.3 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D7 V113 V116 | D7-A9 VanDerWaalsContact C-N 3.29Å; D7-A9 PolarHBondContact O-N 3.04Å; D7-A9 VanDerWaalsContact OD1-CB 3.26Å; D7-A9 WeakPolarHBondContact OD1-CB 3.38Å; D7-A9 PolarHBondContact OD1-N 3.35Å; A9-V113 HydrophobicContact CB-CB 4.47Å; A9-V113 HydrophobicContact CB-CG2 3.84Å; A9-V116 HydrophobicContact CB-CG2 4.18Å |
| 10 | A | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | trans | -146.7 | 101 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | L3 S4 T5 D7 G12 Y14 V116 | L3-A10 HydrophobicContact CD2-CB 3.87Å; S4-A10 CarbonylContact C-O 3.46Å; S4-A10 WeakPolarHBondContact CA-O 3.45Å; S4-A10 PolarHBondContact OG-O 2.85Å; T5-A10 HydrophobicContact CG2-CB 4.29Å; T5-A10 PolarHBondContact N-O 2.9Å; T5-A10 PolarHBondContact OG1-N 3.24Å; T5-A10 PolarHBondContact OG1-O 3.37Å; D7-A10 CarbonylContact O-C 3.54Å; A10-G12 PolarHBondContact O-N 3.4Å; A10-Y14 WeakPolarHBondContact CA-OH 3.43Å; A10-Y14 WeakPolarHBondContact CB-OH 3.06Å; A10-V116 HydrophobicContact CB-CG2 3.8Å | ||
| 11 | K | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | trans | -59.9 | -42.3 | -178.8 | -69.2 | -175.7 | 170.2 | -173.1 | 0 | 112.9 | S4 V144 D148 | S4-K11 WeakPolarHBondContact CB-O 3.22Å; S4-K11 PolarHBondContact OG-O 3.45Å; K11-V144 WeakPolarHBondContact O-CG2 3.21Å; K11-D148 IonicContact NZ-OD2 2.69Å; K11-D148 PolarHBondContact NZ-OD2 2.83Å | ||
| 12 | G | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | 114.5 | -155.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A10 Y14 | A10-G12 PolarHBondContact O-N 3.4Å; G12-Y14 PolarHBondContact O-N 2.98Å | ||
| 13 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | 53.1 | 9.6 | 169.1 | -65.5 | -25 | 0 | 0 | 0 | 118.3 | G15 L16 L17 P143 V144 D146 V149 | N13-G15 PolarHBondContact O-N 2.67Å; N13-G15 VanDerWaalsContact O-N 3.12Å; N13-L16 HydrophobicContact CB-CD1 4.46Å; N13-L16 WeakPolarHBondContact O-CA 3.48Å; N13-L16 WeakPolarHBondContact O-CB 2.96Å; N13-L16 PolarHBondContact O-N 2.96Å; N13-L17 PolarHBondContact O-N 3.03Å; N13-P143 WeakPolarHBondContact OD1-CA 3.47Å; N13-V144 PolarHBondContact ND2-O 3Å; N13-V144 PolarHBondContact OD1-N 2.72Å; N13-V144 PolarHBondContact OD1-O 3.29Å; N13-D146 PolarHBondContact ND2-OD1 2.04Å; N13-D146 PolarHBondContact ND2-OD2 2.68Å; N13-V149 HydrophobicContact CB-CB 4.08Å; N13-V149 HydrophobicContact CB-CG1 4.2Å; N13-V149 HydrophobicContact CB-CG2 4.22Å | ||
| 14 | Y | 98.7 | Very high | 98.1 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 37% | 0.365 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.6 | -37.9 | -179.5 | -44.8 | -73.1 | 0 | 0 | 0 | 112.7 | G1 L3 A10 G12 L16 L17 D18 | G1-Y14 WeakPolarHBondContact O-CB 3.02Å; G1-Y14 PolarHBondContact O-N 2.98Å; L3-Y14 WeakPolarHBondContact O-CE2 3.46Å; A10-Y14 WeakPolarHBondContact CA-OH 3.43Å; A10-Y14 WeakPolarHBondContact CB-OH 3.06Å; G12-Y14 PolarHBondContact O-N 2.98Å; Y14-L16 VanDerWaalsContact C-N 3.32Å; Y14-L16 PolarHBondContact O-N 3.28Å; Y14-L17 CarbonylContact O-C 3.37Å; Y14-L17 WeakPolarHBondContact O-CB 3.49Å; Y14-L17 PolarHBondContact O-N 2.84Å; Y14-D18 PolarHBondContact O-N 2.89Å; Y14-D18 VanDerWaalsContact O-OD2 3.14Å |
| 15 | G | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 53 Ų | 53 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -26.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1 N13 Q19 | G1-G15 PolarHBondContact O-N 3.09Å; N13-G15 PolarHBondContact O-N 2.67Å; N13-G15 VanDerWaalsContact O-N 3.12Å; G15-Q19 WeakPolarHBondContact O-CG 3.34Å; G15-Q19 PolarHBondContact O-N 3.37Å |
| 16 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.2 | -39.2 | 169.9 | -65.3 | 177.2 | 0 | 0 | 0 | 110.5 | F2 N13 Y14 D18 Q19 I20 C51 L54 P143 V149 I150 | F2-L16 HydrophobicContact CE1-CG 4.39Å; N13-L16 HydrophobicContact CB-CD1 4.46Å; N13-L16 WeakPolarHBondContact O-CA 3.48Å; N13-L16 WeakPolarHBondContact O-CB 2.96Å; N13-L16 PolarHBondContact O-N 2.96Å; Y14-L16 VanDerWaalsContact C-N 3.32Å; Y14-L16 PolarHBondContact O-N 3.28Å; L16-D18 VanDerWaalsContact C-N 3.3Å; L16-D18 PolarHBondContact O-N 3.17Å; L16-Q19 WeakPolarHBondContact O-CB 3.37Å; L16-Q19 PolarHBondContact O-N 2.98Å; L16-Q19 VanDerWaalsContact O-N 3.12Å; L16-I20 WeakPolarHBondContact O-CD1 3.46Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.81Å; L16-C51 HydrophobicContact CD2-CB 4.13Å; L16-L54 HydrophobicContact CD1-CB 4.42Å; L16-P143 HydrophobicContact CD1-CB 4.15Å; L16-P143 HydrophobicContact CD1-CG 4.31Å; L16-V149 HydrophobicContact CB-CG1 4.36Å; L16-V149 HydrophobicContact CD1-CG1 4.45Å; L16-I150 HydrophobicContact CD1-CD1 4.14Å; L16-I150 HydrophobicContact CD1-CG1 4.18Å |
| 17 | L | 98.7 | Very high | 97.6 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 173.8 | -69.2 | 170.8 | 0 | 0 | 0 | 112.2 | N13 Y14 Q19 I20 Q21 Y60 V149 | N13-L17 PolarHBondContact O-N 3.03Å; Y14-L17 CarbonylContact O-C 3.37Å; Y14-L17 WeakPolarHBondContact O-CB 3.49Å; Y14-L17 PolarHBondContact O-N 2.84Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 3.06Å; L17-I20 HydrophobicContact CD2-CD1 4.24Å; L17-I20 PolarHBondContact O-N 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.48Å; L17-Q21 PolarHBondContact O-N 2.85Å; L17-Y60 HydrophobicContact CD2-CD1 4.43Å; L17-V149 HydrophobicContact CD1-CG2 4.25Å; L17-V149 HydrophobicContact CD2-CG2 3.77Å; L17-V149 HydrophobicContact CG-CG2 4.04Å |
| 18 | D | 98.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.5 | -43.6 | 171.9 | -66.3 | -35.1 | 0 | 0 | 0 | 110.8 | Y14 L16 Q21 A22 | Y14-D18 PolarHBondContact O-N 2.89Å; Y14-D18 VanDerWaalsContact O-OD2 3.14Å; L16-D18 VanDerWaalsContact C-N 3.3Å; L16-D18 PolarHBondContact O-N 3.17Å; D18-Q21 PolarHBondContact O-N 2.99Å; D18-A22 PolarHBondContact O-N 3.34Å |
| 19 | Q | 98.6 | Very high | 97.3 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.5 | -44.6 | 176.3 | -66.1 | 167 | 17.4 | 0 | 0 | 112 | G15 L16 L17 Q21 A22 L23 L55 | G15-Q19 WeakPolarHBondContact O-CG 3.34Å; G15-Q19 PolarHBondContact O-N 3.37Å; L16-Q19 WeakPolarHBondContact O-CB 3.37Å; L16-Q19 PolarHBondContact O-N 2.98Å; L16-Q19 VanDerWaalsContact O-N 3.12Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 3.06Å; Q19-Q21 VanDerWaalsContact C-N 3.29Å; Q19-Q21 PolarHBondContact O-N 3.43Å; Q19-A22 WeakPolarHBondContact O-CB 3.32Å; Q19-A22 PolarHBondContact O-N 2.95Å; Q19-L23 WeakPolarHBondContact O-CG 3.25Å; Q19-L23 PolarHBondContact O-N 3.05Å; Q19-L55 HydrophobicContact CB-CD1 4.36Å |
| 20 | I | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 174.6 | -70.3 | 157.2 | 0 | 0 | 0 | 110.4 | L16 L17 L23 R24 L55 L73 V149 | L16-I20 WeakPolarHBondContact O-CD1 3.46Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.81Å; L17-I20 HydrophobicContact CD2-CD1 4.24Å; L17-I20 PolarHBondContact O-N 3.29Å; I20-L23 PolarHBondContact O-N 3.4Å; I20-R24 WeakPolarHBondContact O-CG 3.46Å; I20-R24 PolarHBondContact O-N 2.96Å; I20-L55 HydrophobicContact CD1-CD2 4.04Å; I20-L55 HydrophobicContact CG1-CD2 3.49Å; I20-L55 VanDerWaalsContact CG1-CD2 3.49Å; I20-L73 HydrophobicContact CG2-CD1 4.12Å; I20-V149 HydrophobicContact CD1-CG1 4.23Å |
| 21 | Q | 97.7 | Very high | 97.1 | Very high | 116 Ų | 116 | 51.2 Ų | 51.2 | 54% | 0.542 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 177.6 | -177.9 | 54.1 | 35 | 0 | 0 | 112.1 | L17 D18 Q19 R24 W25 | L17-Q21 WeakPolarHBondContact O-CB 3.48Å; L17-Q21 PolarHBondContact O-N 2.85Å; D18-Q21 PolarHBondContact O-N 2.99Å; Q19-Q21 VanDerWaalsContact C-N 3.29Å; Q19-Q21 PolarHBondContact O-N 3.43Å; Q21-R24 PolarHBondContact O-N 2.88Å; Q21-W25 WeakPolarHBondContact O-CB 3.35Å; Q21-W25 PolarHBondContact O-N 2.77Å |
| 22 | A | 98.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D18 Q19 W25 T26 | D18-A22 PolarHBondContact O-N 3.34Å; Q19-A22 WeakPolarHBondContact O-CB 3.32Å; Q19-A22 PolarHBondContact O-N 2.95Å; A22-W25 PolarHBondContact O-N 2.87Å; A22-T26 WeakPolarHBondContact O-CB 3.18Å; A22-T26 PolarHBondContact O-N 3.13Å; A22-T26 PolarHBondContact O-OG1 3.15Å |
| 23 | L | 96.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 173.6 | -70.1 | 169.4 | 0 | 0 | 0 | 112.1 | Q19 I20 T26 S27 I40 V42 L55 L73 F74 | Q19-L23 WeakPolarHBondContact O-CG 3.25Å; Q19-L23 PolarHBondContact O-N 3.05Å; I20-L23 PolarHBondContact O-N 3.4Å; L23-T26 PolarHBondContact O-N 3.3Å; L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 3.31Å; L23-I40 HydrophobicContact CD2-CG2 4.39Å; L23-V42 HydrophobicContact CD1-CG2 4.31Å; L23-V42 HydrophobicContact CD2-CG2 3.65Å; L23-L55 HydrophobicContact CD1-CD1 4.09Å; L23-L73 HydrophobicContact CB-CB 4.33Å; L23-L73 HydrophobicContact CB-CD1 4.24Å; L23-F74 HydrophobicContact CD1-CD1 3.95Å; L23-F74 HydrophobicContact CD1-CE1 4.2Å |
| 24 | R | 95.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 171.8 | -73 | 171.3 | -175.1 | -85 | -10 | 111.1 | I20 Q21 T26 S27 E28 Y60 L73 | I20-R24 WeakPolarHBondContact O-CG 3.46Å; I20-R24 PolarHBondContact O-N 2.96Å; Q21-R24 PolarHBondContact O-N 2.88Å; R24-T26 VanDerWaalsContact C-N 3.32Å; R24-T26 PolarHBondContact O-N 2.76Å; R24-S27 PolarHBondContact O-N 3.35Å; R24-E28 WeakPolarHBondContact O-CB 3.41Å; R24-E28 WeakPolarHBondContact O-CG 3.24Å; R24-E28 PolarHBondContact O-N 3.41Å; R24-Y60 PolarHBondContact NH2-O 2.69Å; R24-L73 HydrophobicContact CG-CD1 3.7Å; R24-L73 HydrophobicContact CG-CD2 3.69Å; R24-L73 HydrophobicContact CG-CG 4.39Å |
| 25 | W | 96.5 | Very high | 97 | Very high | 122 Ų | 122 | 59.6 Ų | 59.6 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 175 | -177.2 | 90.3 | 0 | 0 | 0 | 111.8 | Q21 A22 E28 N29 F33 | Q21-W25 WeakPolarHBondContact O-CB 3.35Å; Q21-W25 PolarHBondContact O-N 2.77Å; A22-W25 PolarHBondContact O-N 2.87Å; W25-E28 PolarHBondContact O-N 3.47Å; W25-N29 HydrophobicContact CD2-CB 4.21Å; W25-N29 HydrophobicContact CH2-CB 4.25Å; W25-N29 HydrophobicContact CZ2-CB 3.89Å; W25-N29 VanDerWaalsContact O-CB 3.29Å; W25-N29 WeakPolarHBondContact O-CB 3.11Å; W25-N29 PolarHBondContact O-N 3Å; W25-N29 PolarHBondContact O-ND2 3.38Å; W25-F33 AromaticContact CH2-CE2 3.73Å; W25-F33 HydrophobicContact CH2-CE2 3.73Å; W25-F33 HydrophobicContact CH2-CZ 4.07Å; W25-F33 HydrophobicContact CZ2-CE2 4.25Å |
| 26 | T | 96.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 179 | -57.9 | 0 | 0 | 0 | 0 | 111 | A22 L23 R24 E28 N29 I30 I40 | A22-T26 WeakPolarHBondContact O-CB 3.18Å; A22-T26 PolarHBondContact O-N 3.13Å; A22-T26 PolarHBondContact O-OG1 3.15Å; L23-T26 PolarHBondContact O-N 3.3Å; R24-T26 VanDerWaalsContact C-N 3.32Å; R24-T26 PolarHBondContact O-N 2.76Å; T26-E28 VanDerWaalsContact C-N 3.25Å; T26-E28 PolarHBondContact O-N 3.17Å; T26-N29 PolarHBondContact O-N 3.01Å; T26-I30 HydrophobicContact CG2-CB 3.95Å; T26-I30 HydrophobicContact CG2-CD1 4.36Å; T26-I30 HydrophobicContact CG2-CG1 4.21Å; T26-I30 HydrophobicContact CG2-CG2 4.32Å; T26-I30 WeakPolarHBondContact O-CB 3.18Å; T26-I30 WeakPolarHBondContact O-CG2 3.38Å; T26-I30 PolarHBondContact O-N 2.83Å; T26-I40 HydrophobicContact CG2-CD1 4.03Å |
| 27 | S | 91.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.4 | -39.4 | 176.4 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | L23 R24 P37 W66 | L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 3.31Å; R24-S27 PolarHBondContact O-N 3.35Å; S27-P37 VanDerWaalsContact O-CB 3.27Å; S27-P37 WeakPolarHBondContact O-CB 3.37Å; S27-W66 PolarHBondContact O-NE1 3.11Å |
| 28 | E | 92.5 | Very high | 96.3 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -79.3 | -30.9 | -178.9 | -69 | -177.6 | 176 | 0 | 0 | 114.1 | R24 W25 T26 R65 | R24-E28 WeakPolarHBondContact O-CB 3.41Å; R24-E28 WeakPolarHBondContact O-CG 3.24Å; R24-E28 PolarHBondContact O-N 3.41Å; W25-E28 PolarHBondContact O-N 3.47Å; T26-E28 VanDerWaalsContact C-N 3.25Å; T26-E28 PolarHBondContact O-N 3.17Å; E28-R65 VanDerWaalsContact CD-CZ 3.44Å; E28-R65 IonicContact OE1-CZ 3.7Å; E28-R65 IonicContact OE1-NE 2.67Å; E28-R65 PolarHBondContact OE1-NE 2.84Å; E28-R65 IonicContact OE1-NH2 3.16Å; E28-R65 PolarHBondContact OE1-NH2 3.48Å; E28-R65 IonicContact OE2-CZ 2.68Å; E28-R65 IonicContact OE2-NH2 3.58Å; E28-R65 PolarHBondContact OE2-NH2 2.83Å |
| 29 | N | 96.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -117.5 | -19.7 | -166.7 | -62.4 | -91.3 | 0 | 0 | 0 | 115.3 | W25 T26 A31 A32 | W25-N29 HydrophobicContact CD2-CB 4.21Å; W25-N29 HydrophobicContact CH2-CB 4.25Å; W25-N29 HydrophobicContact CZ2-CB 3.89Å; W25-N29 VanDerWaalsContact O-CB 3.29Å; W25-N29 WeakPolarHBondContact O-CB 3.11Å; W25-N29 PolarHBondContact O-N 3Å; W25-N29 PolarHBondContact O-ND2 3.38Å; T26-N29 PolarHBondContact O-N 3.01Å; N29-A31 PolarHBondContact O-N 2.87Å; N29-A31 VanDerWaalsContact O-N 3.09Å; N29-A32 WeakPolarHBondContact O-CB 3.4Å; N29-A32 PolarHBondContact O-N 3.28Å |
| 30 | I | 97.4 | Very high | 96 | Very high | 45 Ų | 45 | 62 Ų | 62 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -63.9 | -23.7 | -170.3 | -157.8 | 66.2 | 0 | 0 | 0 | 113.6 | T26 A32 F33 G34 G35 P37 | T26-I30 HydrophobicContact CG2-CB 3.95Å; T26-I30 HydrophobicContact CG2-CD1 4.36Å; T26-I30 HydrophobicContact CG2-CG1 4.21Å; T26-I30 HydrophobicContact CG2-CG2 4.32Å; T26-I30 WeakPolarHBondContact O-CB 3.18Å; T26-I30 WeakPolarHBondContact O-CG2 3.38Å; T26-I30 PolarHBondContact O-N 2.83Å; I30-A32 PolarHBondContact O-N 2.88Å; I30-F33 HydrophobicContact CD1-CB 4.37Å; I30-F33 HydrophobicContact CD1-CD2 4.45Å; I30-F33 WeakPolarHBondContact O-CA 3.39Å; I30-F33 PolarHBondContact O-N 3.41Å; I30-G34 PolarHBondContact O-N 3.3Å; I30-G35 PolarHBondContact O-N 3.48Å; I30-P37 HydrophobicContact CG2-CB 4.31Å |
| 31 | A | 96.8 | Very high | 96 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -57.7 | -32.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | N29 F33 G34 G35 | N29-A31 PolarHBondContact O-N 2.87Å; N29-A31 VanDerWaalsContact O-N 3.09Å; A31-F33 PolarHBondContact O-N 3.27Å; A31-G34 PolarHBondContact O-N 2.99Å; A31-G34 VanDerWaalsContact O-N 3.11Å; A31-G35 WeakPolarHBondContact CA-O 3.27Å |
| 32 | A | 98.2 | Very high | 96.1 | Very high | 93 Ų | 93 | 58.9 Ų | 58.9 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -68.1 | -19.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N29 I30 | N29-A32 WeakPolarHBondContact O-CB 3.4Å; N29-A32 PolarHBondContact O-N 3.28Å; I30-A32 PolarHBondContact O-N 2.88Å |
| 33 | F | 98.4 | Very high | 96.1 | Very high | 146 Ų | 146 | 60.7 Ų | 60.7 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -98.5 | 6.5 | 175.8 | -58.8 | -95 | 0 | 0 | 0 | 112.3 | W25 I30 A31 G35 | W25-F33 AromaticContact CH2-CE2 3.73Å; W25-F33 HydrophobicContact CH2-CE2 3.73Å; W25-F33 HydrophobicContact CH2-CZ 4.07Å; W25-F33 HydrophobicContact CZ2-CE2 4.25Å; I30-F33 HydrophobicContact CD1-CB 4.37Å; I30-F33 HydrophobicContact CD1-CD2 4.45Å; I30-F33 WeakPolarHBondContact O-CA 3.39Å; I30-F33 PolarHBondContact O-N 3.41Å; A31-F33 PolarHBondContact O-N 3.27Å; F33-G35 VanDerWaalsContact C-N 3.35Å |
| 34 | G | 98.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 77% | 0.773 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 9.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | I30 A31 | I30-G34 PolarHBondContact O-N 3.3Å; A31-G34 PolarHBondContact O-N 2.99Å; A31-G34 VanDerWaalsContact O-N 3.11Å |
| 35 | G | 97.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | trans | -81 | 169.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I30 A31 F33 | I30-G35 PolarHBondContact O-N 3.48Å; A31-G35 WeakPolarHBondContact CA-O 3.27Å; F33-G35 VanDerWaalsContact C-N 3.35Å | ||
| 36 | D | 95 | Very high | 96.4 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | trans | -116 | 111.8 | -177.7 | -175.4 | -16.7 | 0 | 0 | 0 | 110.2 | L38 R39 | D36-L38 PolarHBondContact O-N 3.26Å; D36-L38 VanDerWaalsContact O-N 3.16Å; D36-L38 WeakPolarHBondContact OD1-CB 3.15Å; D36-L38 PolarHBondContact OD1-N 2.73Å; D36-R39 HydrophobicContact CB-CB 4.35Å; D36-R39 PolarHBondContact O-N 2.9Å; D36-R39 IonicContact OD2-CZ 3.11Å; D36-R39 IonicContact OD2-NE 3.61Å; D36-R39 PolarHBondContact OD2-NE 3.42Å; D36-R39 IonicContact OD2-NH2 2.77Å; D36-R39 PolarHBondContact OD2-NH2 2.85Å | ||
| 37 | P | 93.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.6 | -177.8 | 30.3 | -35.8 | 0 | 0 | 0 | 113.6 | S27 I30 W66 Q75 | S27-P37 VanDerWaalsContact O-CB 3.27Å; S27-P37 WeakPolarHBondContact O-CB 3.37Å; I30-P37 HydrophobicContact CG2-CB 4.31Å; P37-W66 HydrophobicContact CB-CG 4.38Å; P37-W66 HydrophobicContact CG-CB 4.4Å; P37-W66 HydrophobicContact CG-CD2 4.33Å; P37-W66 HydrophobicContact CG-CG 3.94Å; P37-Q75 PolarHBondContact O-NE2 2.89Å |
| 38 | L | 92.1 | Very high | 96.9 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.6 | 174.3 | -54.6 | 178.4 | 0 | 0 | 0 | 113 | D36 W66 Q75 | D36-L38 PolarHBondContact O-N 3.26Å; D36-L38 VanDerWaalsContact O-N 3.16Å; D36-L38 WeakPolarHBondContact OD1-CB 3.15Å; D36-L38 PolarHBondContact OD1-N 2.73Å; L38-W66 HydrophobicContact CD2-CB 4.42Å; L38-Q75 PolarHBondContact O-OE1 3.2Å; L38-Q75 VanDerWaalsContact O-OE1 3.13Å |
| 39 | R | 94.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -135.2 | 46.3 | 176.6 | -67.6 | -175.3 | -71.1 | 141.2 | 6.2 | 112.3 | D36 Q75 K333 | D36-R39 HydrophobicContact CB-CB 4.35Å; D36-R39 PolarHBondContact O-N 2.9Å; D36-R39 IonicContact OD2-CZ 3.11Å; D36-R39 IonicContact OD2-NE 3.61Å; D36-R39 PolarHBondContact OD2-NE 3.42Å; D36-R39 IonicContact OD2-NH2 2.77Å; D36-R39 PolarHBondContact OD2-NH2 2.85Å; R39-Q75 VanDerWaalsContact N-OE1 3.17Å; R39-K333 WeakPolarHBondContact CD-O 3.19Å |
| 40 | I | 96.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | trans | -80.7 | 127.4 | 170.2 | -61.6 | 173.1 | 0 | 0 | 0 | 109 | L23 T26 F74 Q75 R76 | L23-I40 HydrophobicContact CD2-CG2 4.39Å; T26-I40 HydrophobicContact CG2-CD1 4.03Å; I40-F74 HydrophobicContact CB-CB 4.1Å; I40-F74 HydrophobicContact CG2-CB 3.69Å; I40-Q75 PolarHBondContact O-N 3.18Å; I40-Q75 PolarHBondContact O-OE1 2.87Å; I40-R76 PolarHBondContact O-N 2.98Å | ||
| 41 | T | 98.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.7 | 172.9 | -59.7 | 0 | 0 | 0 | 0 | 108.4 | R76 I78 F331 A332 | T41-R76 WeakPolarHBondContact CA-O 3.36Å; T41-R76 HydrophobicContact CG2-CB 3.92Å; T41-I78 HydrophobicContact CG2-CD1 4.18Å; T41-I78 HydrophobicContact CG2-CG1 4Å; T41-F331 HydrophobicContact CG2-CD1 4.49Å; T41-A332 HydrophobicContact CG2-CB 4.29Å; T41-A332 WeakPolarHBondContact OG1-CA 3.41Å |
| 42 | V | 98.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.7 | 176.8 | -167.6 | 0 | 0 | 0 | 0 | 108.2 | L23 V52 F74 R76 A77 I78 | L23-V42 HydrophobicContact CD1-CG2 4.31Å; L23-V42 HydrophobicContact CD2-CG2 3.65Å; V42-V52 HydrophobicContact CG1-CG2 3.94Å; V42-F74 HydrophobicContact CB-CD2 4.35Å; V42-F74 HydrophobicContact CG2-CB 3.64Å; V42-F74 HydrophobicContact CG2-CD1 3.82Å; V42-F74 HydrophobicContact CG2-CD2 3.67Å; V42-F74 HydrophobicContact CG2-CE1 4.37Å; V42-F74 HydrophobicContact CG2-CE2 4.24Å; V42-F74 HydrophobicContact CG2-CG 3.43Å; V42-F74 VanDerWaalsContact CG2-CG 3.43Å; V42-R76 PolarHBondContact N-O 2.84Å; V42-A77 CarbonylContact O-C 3.5Å; V42-A77 VanDerWaalsContact O-CA 3.29Å; V42-A77 WeakPolarHBondContact O-CA 3.42Å; V42-I78 PolarHBondContact O-N 2.82Å |
| 43 | F | 98.8 | Very high | 97.4 | Very high | 91 Ų | 91 | 42 Ų | 42 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.8 | 178.2 | 74 | -62.2 | 0 | 0 | 0 | 112 | I78 V297 F298 | F43-I78 VanDerWaalsContact CA-O 3.28Å; F43-I78 WeakPolarHBondContact CA-O 3.34Å; F43-I78 HydrophobicContact CB-CB 3.68Å; F43-I78 HydrophobicContact CB-CD1 4.35Å; F43-I78 HydrophobicContact CB-CG1 4.21Å; F43-V297 HydrophobicContact CD2-CG1 4.45Å; F43-V297 HydrophobicContact CE2-CG1 3.99Å; F43-F298 HydrophobicContact CE2-CE1 4.13Å; F43-F298 HydrophobicContact CE2-CE2 4.37Å; F43-F298 AromaticContact CE2-CZ 3.69Å; F43-F298 HydrophobicContact CE2-CZ 3.69Å; F43-F298 AromaticContact CZ-CE1 3.92Å; F43-F298 HydrophobicContact CZ-CE1 3.92Å; F43-F298 AromaticContact CZ-CZ 3.84Å; F43-F298 HydrophobicContact CZ-CZ 3.84Å |
| 44 | G | 98.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 165.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A49 I78 Q80 | G44-A49 WeakPolarHBondContact O-CB 3.34Å; G44-I78 PolarHBondContact N-O 3.4Å; G44-Q80 WeakPolarHBondContact O-CB 3.48Å; G44-Q80 PolarHBondContact O-N 3.3Å |
| 45 | S | 98.7 | Very high | 97.4 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 19% | 0.189 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.7 | 175.3 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | A47 G48 A49 Q80 E293 | S45-A47 PolarHBondContact O-N 3.44Å; S45-G48 WeakPolarHBondContact O-CA 3.49Å; S45-G48 PolarHBondContact O-N 3.46Å; S45-A49 PolarHBondContact O-N 3.43Å; S45-Q80 CarbonylContact C-O 3.33Å; S45-Q80 VanDerWaalsContact CA-O 3.24Å; S45-Q80 WeakPolarHBondContact CA-O 3.48Å; S45-E293 WeakPolarHBondContact CB-OE1 3.41Å; S45-E293 PolarHBondContact OG-OE1 3.41Å |
| 46 | G | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -126.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | G48 A49 S50 Q80 S81 | G46-G48 PolarHBondContact O-N 3.49Å; G46-G48 VanDerWaalsContact O-N 3.15Å; G46-A49 WeakPolarHBondContact O-CA 3.5Å; G46-A49 WeakPolarHBondContact O-CB 3.38Å; G46-A49 PolarHBondContact O-N 2.82Å; G46-S50 PolarHBondContact O-N 3.09Å; G46-Q80 PolarHBondContact N-O 2.93Å; G46-S81 WeakPolarHBondContact CA-O 3.32Å |
| 47 | A | 98.3 | Very high | 97.3 | Very high | 81 Ų | 81 | 28.3 Ų | 28.3 | 67% | 0.669 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -58.9 | -25.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S45 S50 C51 | S45-A47 PolarHBondContact O-N 3.44Å; A47-S50 PolarHBondContact O-N 3.12Å; A47-C51 PolarHBondContact O-N 2.68Å; A47-C51 PolarHBondContact O-SG 3.3Å |
| 48 | G | 98.7 | Very high | 97.4 | Very high | 32 Ų | 32 | 28 Ų | 28 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S45 G46 C51 V52 | S45-G48 WeakPolarHBondContact O-CA 3.49Å; S45-G48 PolarHBondContact O-N 3.46Å; G46-G48 PolarHBondContact O-N 3.49Å; G46-G48 VanDerWaalsContact O-N 3.15Å; G48-C51 WeakPolarHBondContact O-CB 3.17Å; G48-C51 PolarHBondContact O-N 3.12Å; G48-V52 WeakPolarHBondContact O-CG2 3.31Å; G48-V52 PolarHBondContact O-N 3.42Å |
| 49 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G44 S45 G46 C51 V52 N53 A79 Q80 G82 | G44-A49 WeakPolarHBondContact O-CB 3.34Å; S45-A49 PolarHBondContact O-N 3.43Å; G46-A49 WeakPolarHBondContact O-CA 3.5Å; G46-A49 WeakPolarHBondContact O-CB 3.38Å; G46-A49 PolarHBondContact O-N 2.82Å; A49-C51 VanDerWaalsContact C-N 3.32Å; A49-C51 PolarHBondContact O-N 3.38Å; A49-V52 WeakPolarHBondContact O-CB 3.26Å; A49-V52 PolarHBondContact O-N 3.23Å; A49-N53 PolarHBondContact O-N 3.25Å; A49-N53 PolarHBondContact O-ND2 2.89Å; A49-A79 HydrophobicContact CB-CB 4.1Å; A49-Q80 WeakPolarHBondContact CB-O 3.41Å; A49-G82 VanDerWaalsContact CB-O 3.31Å; A49-G82 WeakPolarHBondContact CB-O 3.44Å |
| 50 | S | 98.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 168.8 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | G46 A47 V52 N53 L54 T83 | G46-S50 PolarHBondContact O-N 3.09Å; A47-S50 PolarHBondContact O-N 3.12Å; S50-V52 PolarHBondContact O-N 2.91Å; S50-N53 PolarHBondContact O-N 2.99Å; S50-L54 VanDerWaalsContact O-CG 3.3Å; S50-L54 WeakPolarHBondContact O-CG 3.36Å; S50-L54 PolarHBondContact O-N 2.62Å; S50-T83 VanDerWaalsContact CB-O 3.29Å; S50-T83 WeakPolarHBondContact CB-O 3.2Å; S50-T83 PolarHBondContact OG-O 3.16Å |
| 51 | C | 98.8 | Very high | 97 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 11% | 0.108 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 173.4 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | L16 A47 G48 A49 N53 L54 L55 | L16-C51 HydrophobicContact CD2-CB 4.13Å; A47-C51 PolarHBondContact O-N 2.68Å; A47-C51 PolarHBondContact O-SG 3.3Å; G48-C51 WeakPolarHBondContact O-CB 3.17Å; G48-C51 PolarHBondContact O-N 3.12Å; A49-C51 VanDerWaalsContact C-N 3.32Å; A49-C51 PolarHBondContact O-N 3.38Å; C51-N53 VanDerWaalsContact C-N 3.33Å; C51-N53 PolarHBondContact O-N 2.92Å; C51-L54 PolarHBondContact O-N 3.42Å; C51-L55 WeakPolarHBondContact O-CB 3.26Å; C51-L55 VanDerWaalsContact O-CG 3.25Å; C51-L55 WeakPolarHBondContact O-CG 3.29Å; C51-L55 PolarHBondContact O-N 2.8Å |
| 52 | V | 98.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 176 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | V42 G48 A49 S50 L55 T56 A77 | V42-V52 HydrophobicContact CG1-CG2 3.94Å; G48-V52 WeakPolarHBondContact O-CG2 3.31Å; G48-V52 PolarHBondContact O-N 3.42Å; A49-V52 WeakPolarHBondContact O-CB 3.26Å; A49-V52 PolarHBondContact O-N 3.23Å; S50-V52 PolarHBondContact O-N 2.91Å; V52-L55 PolarHBondContact O-N 2.56Å; V52-T56 PolarHBondContact O-N 2.93Å; V52-T56 VanDerWaalsContact O-N 3.15Å; V52-A77 HydrophobicContact CG1-CB 3.46Å; V52-A77 VanDerWaalsContact CG1-CB 3.46Å |
| 53 | N | 98.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.4 | -75.6 | -93 | 0 | 0 | 0 | 112.2 | A49 S50 C51 L55 T56 L57 A79 G82 A84 M158 T257 | A49-N53 PolarHBondContact O-N 3.25Å; A49-N53 PolarHBondContact O-ND2 2.89Å; S50-N53 PolarHBondContact O-N 2.99Å; C51-N53 VanDerWaalsContact C-N 3.33Å; C51-N53 PolarHBondContact O-N 2.92Å; N53-L55 VanDerWaalsContact C-N 3.28Å; N53-L55 PolarHBondContact O-N 3.15Å; N53-T56 PolarHBondContact O-N 2.92Å; N53-T56 VanDerWaalsContact O-N 3.07Å; N53-T56 PolarHBondContact O-OG1 2.79Å; N53-L57 WeakPolarHBondContact O-CG 3.42Å; N53-L57 PolarHBondContact O-N 3.1Å; N53-A79 VanDerWaalsContact ND2-CB 3.3Å; N53-A79 WeakPolarHBondContact ND2-CB 3.31Å; N53-G82 PolarHBondContact ND2-O 3.36Å; N53-A84 HydrophobicContact CB-CB 3.84Å; N53-M158 HydrophobicContact CB-CE 4.45Å; N53-T257 WeakPolarHBondContact OD1-CG2 3.31Å |
| 54 | L | 98.3 | Very high | 93 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -34.9 | 177 | -70.5 | 165.7 | 0 | 0 | 0 | 112.1 | L16 S50 C51 T56 L57 S58 A84 V90 P143 I150 P154 | L16-L54 HydrophobicContact CD1-CB 4.42Å; S50-L54 VanDerWaalsContact O-CG 3.3Å; S50-L54 WeakPolarHBondContact O-CG 3.36Å; S50-L54 PolarHBondContact O-N 2.62Å; C51-L54 PolarHBondContact O-N 3.42Å; L54-T56 VanDerWaalsContact C-N 3.34Å; L54-L57 PolarHBondContact O-N 3.03Å; L54-S58 PolarHBondContact O-N 3.17Å; L54-A84 HydrophobicContact CD2-CB 3.84Å; L54-A84 HydrophobicContact CG-CB 3.95Å; L54-V90 HydrophobicContact CD2-CG2 4.4Å; L54-P143 HydrophobicContact CD1-CB 3.55Å; L54-P143 HydrophobicContact CD1-CG 3.47Å; L54-P143 VanDerWaalsContact CD1-CG 3.47Å; L54-I150 HydrophobicContact CB-CD1 3.98Å; L54-I150 HydrophobicContact CD2-CD1 3.87Å; L54-I150 HydrophobicContact CD2-CG1 4.42Å; L54-I150 HydrophobicContact CG-CD1 4.49Å; L54-P154 HydrophobicContact CD2-CG 3.82Å |
| 55 | L | 97.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -33.2 | 172.4 | -69.8 | 170.4 | 0 | 0 | 0 | 112.2 | Q19 I20 L23 C51 V52 N53 L57 S58 S61 F74 | Q19-L55 HydrophobicContact CB-CD1 4.36Å; I20-L55 HydrophobicContact CD1-CD2 4.04Å; I20-L55 HydrophobicContact CG1-CD2 3.49Å; I20-L55 VanDerWaalsContact CG1-CD2 3.49Å; L23-L55 HydrophobicContact CD1-CD1 4.09Å; C51-L55 WeakPolarHBondContact O-CB 3.26Å; C51-L55 VanDerWaalsContact O-CG 3.25Å; C51-L55 WeakPolarHBondContact O-CG 3.29Å; C51-L55 PolarHBondContact O-N 2.8Å; V52-L55 PolarHBondContact O-N 2.56Å; N53-L55 VanDerWaalsContact C-N 3.28Å; N53-L55 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact C-N 3.28Å; L55-L57 PolarHBondContact O-N 2.92Å; L55-S58 PolarHBondContact O-N 3.43Å; L55-S61 WeakPolarHBondContact O-CB 3.1Å; L55-S61 PolarHBondContact O-OG 3.16Å; L55-F74 HydrophobicContact CB-CE1 4.19Å; L55-F74 HydrophobicContact CB-CZ 4.13Å |
| 56 | T | 95.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.9 | -24.7 | 174.8 | 55 | 0 | 0 | 0 | 0 | 113.7 | V52 N53 L54 F74 A77 Y166 I168 | V52-T56 PolarHBondContact O-N 2.93Å; V52-T56 VanDerWaalsContact O-N 3.15Å; N53-T56 PolarHBondContact O-N 2.92Å; N53-T56 VanDerWaalsContact O-N 3.07Å; N53-T56 PolarHBondContact O-OG1 2.79Å; L54-T56 VanDerWaalsContact C-N 3.34Å; T56-F74 HydrophobicContact CG2-CE2 3.8Å; T56-F74 HydrophobicContact CG2-CZ 3.84Å; T56-A77 HydrophobicContact CG2-CB 4.09Å; T56-Y166 HydrophobicContact CG2-CD2 3.51Å; T56-Y166 HydrophobicContact CG2-CE2 3.58Å; T56-Y166 HydrophobicContact CG2-CG 4.17Å; T56-I168 HydrophobicContact CG2-CD1 4.45Å |
| 57 | L | 94.9 | Very high | 87 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.1 | 178.7 | -61.6 | 168 | 0 | 0 | 0 | 113.6 | N53 L54 L55 A84 P154 L157 M158 F163 | N53-L57 WeakPolarHBondContact O-CG 3.42Å; N53-L57 PolarHBondContact O-N 3.1Å; L54-L57 PolarHBondContact O-N 3.03Å; L55-L57 VanDerWaalsContact C-N 3.28Å; L55-L57 PolarHBondContact O-N 2.92Å; L57-A84 HydrophobicContact CD1-CB 4.2Å; L57-P154 HydrophobicContact CD1-CB 3.83Å; L57-L157 HydrophobicContact CB-CD1 4.13Å; L57-L157 HydrophobicContact CD2-CB 3.87Å; L57-M158 HydrophobicContact CD1-CE 3.93Å; L57-M158 HydrophobicContact CD1-CG 4.26Å; L57-M158 HydrophobicContact CD2-CG 3.8Å; L57-F163 HydrophobicContact CD2-CB 4.06Å; L57-F163 HydrophobicContact CD2-CD1 4.34Å |
| 58 | S | 95.1 | Very high | 84.8 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -96.4 | 124.6 | -177.4 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | L54 L55 Y60 S61 V149 | L54-S58 PolarHBondContact O-N 3.17Å; L55-S58 PolarHBondContact O-N 3.43Å; S58-Y60 PolarHBondContact O-N 2.73Å; S58-Y60 VanDerWaalsContact O-N 3.11Å; S58-Y60 PolarHBondContact OG-N 2.93Å; S58-S61 VanDerWaalsContact O-CB 3.3Å; S58-S61 WeakPolarHBondContact O-CB 3.31Å; S58-S61 PolarHBondContact O-N 2.86Å; S58-V149 VanDerWaalsContact CB-O 3.24Å; S58-V149 WeakPolarHBondContact CB-O 3.34Å; S58-V149 PolarHBondContact OG-O 3.27Å | ||
| 59 | H | 91.7 | Very high | 82.6 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 40% | 0.398 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -60.8 | -20.1 | 173.5 | 81.1 | -94.6 | 0 | 0 | 0 | 112.6 | S61 E62 D148 | H59-S61 PolarHBondContact O-N 3.39Å; H59-E62 VanDerWaalsContact O-CB 3.23Å; H59-E62 WeakPolarHBondContact O-CB 3.1Å; H59-E62 WeakPolarHBondContact O-CG 3.39Å; H59-E62 PolarHBondContact O-N 3.01Å; H59-D148 PolarHBondContact CE1-O 2.77Å; H59-D148 IonicContact CE1-OD1 2.77Å; H59-D148 PolarHBondContact ND1-O 3.15Å; H59-D148 VanDerWaalsContact ND1-O 3.07Å |
| 60 | Y | 92.6 | Very high | 80.4 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -68.1 | -14.3 | 172.2 | -79.3 | -93.5 | 0 | 0 | 0 | 114 | L17 R24 S58 E62 D148 V149 | L17-Y60 HydrophobicContact CD2-CD1 4.43Å; R24-Y60 PolarHBondContact NH2-O 2.69Å; S58-Y60 PolarHBondContact O-N 2.73Å; S58-Y60 VanDerWaalsContact O-N 3.11Å; S58-Y60 PolarHBondContact OG-N 2.93Å; Y60-E62 VanDerWaalsContact C-N 3.29Å; Y60-D148 WeakPolarHBondContact CE2-OD1 3.12Å; Y60-D148 PolarHBondContact OH-OD1 2.95Å; Y60-D148 VanDerWaalsContact OH-OD1 3.09Å; Y60-V149 HydrophobicContact CD2-CB 4.45Å; Y60-V149 HydrophobicContact CD2-CG2 4.2Å; Y60-V149 HydrophobicContact CE2-CG2 4Å |
| 61 | S | 90.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -82.5 | -5.2 | 170.5 | -63 | 0 | 0 | 0 | 0 | 113 | L55 S58 H59 G72 L73 | L55-S61 WeakPolarHBondContact O-CB 3.1Å; L55-S61 PolarHBondContact O-OG 3.16Å; S58-S61 VanDerWaalsContact O-CB 3.3Å; S58-S61 WeakPolarHBondContact O-CB 3.31Å; S58-S61 PolarHBondContact O-N 2.86Å; H59-S61 PolarHBondContact O-N 3.39Å; S61-G72 CarbonylContact O-C 3.52Å; S61-G72 WeakPolarHBondContact O-CA 3.34Å; S61-L73 PolarHBondContact O-N 3Å |
| 62 | E | 82.9 | Confident | 77.5 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | trans | -75.9 | 152.4 | 177.3 | -63.7 | -172.6 | -167.6 | 0 | 0 | 113.8 | H59 Y60 L164 | H59-E62 VanDerWaalsContact O-CB 3.23Å; H59-E62 WeakPolarHBondContact O-CB 3.1Å; H59-E62 WeakPolarHBondContact O-CG 3.39Å; H59-E62 PolarHBondContact O-N 3.01Å; Y60-E62 VanDerWaalsContact C-N 3.29Å; E62-L164 HydrophobicContact CG-CD1 4.04Å; E62-L164 HydrophobicContact CG-CD2 4.03Å; E62-L164 HydrophobicContact CG-CG 4.32Å | ||
| 63 | G | 67 | Low | 77.2 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | trans | 76.1 | 149.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K71 L73 | G63-K71 CarbonylContact C-O 3.58Å; G63-L73 VanDerWaalsContact O-CD2 3.31Å; G63-L73 WeakPolarHBondContact O-CD2 3.37Å; G63-L73 PolarHBondContact O-N 3.5Å | ||
| 64 | N | 62.6 | Low | 77 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | trans | -143 | 147.2 | 168.9 | 68.5 | 82.3 | 0 | 0 | 0 | 109.4 | W66 S67 K71 | N64-W66 PolarHBondContact O-N 3.03Å; N64-W66 PolarHBondContact OD1-N 3.26Å; N64-S67 WeakPolarHBondContact OD1-CB 3.23Å; N64-S67 PolarHBondContact OD1-N 2.75Å; N64-K71 PolarHBondContact ND2-O 3.07Å | ||
| 65 | R | 58.7 | Low | 76.7 | Confident | 186 Ų | 186 | 59.2 Ų | 59.2 | 70% | 0.702 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22 | -177.3 | -163.4 | -168 | -69.5 | -158.3 | -0.7 | 112.9 | E28 | E28-R65 VanDerWaalsContact CD-CZ 3.44Å; E28-R65 IonicContact OE1-CZ 3.7Å; E28-R65 IonicContact OE1-NE 2.67Å; E28-R65 PolarHBondContact OE1-NE 2.84Å; E28-R65 IonicContact OE1-NH2 3.16Å; E28-R65 PolarHBondContact OE1-NH2 3.48Å; E28-R65 IonicContact OE2-CZ 2.68Å; E28-R65 IonicContact OE2-NH2 3.58Å; E28-R65 PolarHBondContact OE2-NH2 2.83Å |
| 66 | W | 56.8 | Low | 76.7 | Confident | 140 Ų | 140 | 60.2 Ų | 60.2 | 53% | 0.53 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.7 | -172.1 | -76.7 | 104.6 | 0 | 0 | 0 | 114.5 | S27 P37 L38 N64 | S27-W66 PolarHBondContact O-NE1 3.11Å; P37-W66 HydrophobicContact CB-CG 4.38Å; P37-W66 HydrophobicContact CG-CB 4.4Å; P37-W66 HydrophobicContact CG-CD2 4.33Å; P37-W66 HydrophobicContact CG-CG 3.94Å; L38-W66 HydrophobicContact CD2-CB 4.42Å; N64-W66 PolarHBondContact O-N 3.03Å; N64-W66 PolarHBondContact OD1-N 3.26Å |
| 67 | S | 53.4 | Low | 76.8 | Confident | 46 Ų | 46 | 60 Ų | 60 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | trans | -149.7 | 137.7 | -176.9 | -152 | 0 | 0 | 0 | 0 | 111.6 | N64 S69 | N64-S67 WeakPolarHBondContact OD1-CB 3.23Å; N64-S67 PolarHBondContact OD1-N 2.75Å; S67-S69 PolarHBondContact O-N 2.92Å; S67-S69 WeakPolarHBondContact OG-CB 3.37Å | ||
| 68 | N | 52.6 | Low | 77 | Confident | 189 Ų | 189 | 59.9 Ų | 59.9 | 100% | 1.011 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -71.8 | 33 | 166.6 | -70.2 | -12.1 | 0 | 0 | 0 | 111.7 | ||
| 69 | S | 52 | Low | 77.2 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -122.7 | 145.4 | -159.2 | -169.5 | 0 | 0 | 0 | 0 | 112.7 | S67 K71 | S67-S69 PolarHBondContact O-N 2.92Å; S67-S69 WeakPolarHBondContact OG-CB 3.37Å; S69-K71 PolarHBondContact O-N 3.41Å |
| 70 | T | 53.4 | Low | 77.5 | Confident | 140 Ų | 140 | 55.7 Ų | 55.7 | 86% | 0.859 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -61.3 | 38.6 | 169.4 | 55.3 | 0 | 0 | 0 | 0 | 114 | ||
| 71 | K | 62.3 | Low | 77.8 | Confident | 125 Ų | 125 | 52.3 Ų | 52.3 | 54% | 0.543 | 27% | 0.265 | S | S | . | . | trans | -123.1 | 135.6 | -177.4 | -69.2 | -174.5 | 176.5 | -169.1 | 0 | 110 | G63 N64 S69 | G63-K71 CarbonylContact C-O 3.58Å; N64-K71 PolarHBondContact ND2-O 3.07Å; S69-K71 PolarHBondContact O-N 3.41Å | ||
| 72 | G | 73.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -68.3 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | S61 F74 Q75 | S61-G72 CarbonylContact O-C 3.52Å; S61-G72 WeakPolarHBondContact O-CA 3.34Å; G72-F74 CarbonylContact C-O 3.59Å; G72-F74 PolarHBondContact O-N 3.11Å; G72-Q75 PolarHBondContact O-NE2 3Å | ||
| 73 | L | 90.9 | Very high | 78.9 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -56.9 | -25.7 | 176 | -68 | 176 | 0 | 0 | 0 | 113.2 | I20 L23 R24 S61 G63 | I20-L73 HydrophobicContact CG2-CD1 4.12Å; L23-L73 HydrophobicContact CB-CB 4.33Å; L23-L73 HydrophobicContact CB-CD1 4.24Å; R24-L73 HydrophobicContact CG-CD1 3.7Å; R24-L73 HydrophobicContact CG-CD2 3.69Å; R24-L73 HydrophobicContact CG-CG 4.39Å; S61-L73 PolarHBondContact O-N 3Å; G63-L73 VanDerWaalsContact O-CD2 3.31Å; G63-L73 WeakPolarHBondContact O-CD2 3.37Å; G63-L73 PolarHBondContact O-N 3.5Å |
| 74 | F | 94.3 | Very high | 80.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | trans | -134.1 | 168.5 | 172.3 | 61.2 | -83.5 | 0 | 0 | 0 | 109.6 | L23 I40 V42 L55 T56 G72 R76 A77 Y166 | L23-F74 HydrophobicContact CD1-CD1 3.95Å; L23-F74 HydrophobicContact CD1-CE1 4.2Å; I40-F74 HydrophobicContact CB-CB 4.1Å; I40-F74 HydrophobicContact CG2-CB 3.69Å; V42-F74 HydrophobicContact CB-CD2 4.35Å; V42-F74 HydrophobicContact CG2-CB 3.64Å; V42-F74 HydrophobicContact CG2-CD1 3.82Å; V42-F74 HydrophobicContact CG2-CD2 3.67Å; V42-F74 HydrophobicContact CG2-CE1 4.37Å; V42-F74 HydrophobicContact CG2-CE2 4.24Å; V42-F74 HydrophobicContact CG2-CG 3.43Å; V42-F74 VanDerWaalsContact CG2-CG 3.43Å; L55-F74 HydrophobicContact CB-CE1 4.19Å; L55-F74 HydrophobicContact CB-CZ 4.13Å; T56-F74 HydrophobicContact CG2-CE2 3.8Å; T56-F74 HydrophobicContact CG2-CZ 3.84Å; G72-F74 CarbonylContact C-O 3.59Å; G72-F74 PolarHBondContact O-N 3.11Å; F74-R76 WeakPolarHBondContact CD2-O 3.32Å; F74-A77 HydrophobicContact CE2-CB 4.49Å; F74-Y166 AromaticContact CD2-CD1 3.94Å; F74-Y166 HydrophobicContact CD2-CD1 3.94Å; F74-Y166 AromaticContact CD2-CE1 3.74Å; F74-Y166 HydrophobicContact CD2-CE1 3.74Å; F74-Y166 HydrophobicContact CE1-CE1 4.34Å; F74-Y166 AromaticContact CE2-CD1 3.77Å; F74-Y166 HydrophobicContact CE2-CD1 3.77Å; F74-Y166 AromaticContact CE2-CE1 3.48Å; F74-Y166 HydrophobicContact CE2-CE1 3.48Å; F74-Y166 VanDerWaalsContact CE2-CE1 3.48Å; F74-Y166 HydrophobicContact CE2-CE2 4.47Å; F74-Y166 HydrophobicContact CE2-CG 4.37Å; F74-Y166 AromaticContact CE2-CZ 3.88Å; F74-Y166 HydrophobicContact CG-CE1 4.28Å; F74-Y166 AromaticContact CZ-CE1 3.82Å; F74-Y166 HydrophobicContact CZ-CE1 3.82Å; F74-Y166 HydrophobicContact CZ-CE2 4.46Å; F74-Y166 AromaticContact CZ-CZ 3.79Å; F74-Y166 WeakPolarHBondContact O-CE1 3.43Å | ||
| 75 | Q | 92.7 | Very high | 82.1 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -118.4 | -17.6 | -173.9 | -62.6 | 78 | 43 | 0 | 0 | 113.2 | P37 L38 R39 I40 G72 D167 | P37-Q75 PolarHBondContact O-NE2 2.89Å; L38-Q75 PolarHBondContact O-OE1 3.2Å; L38-Q75 VanDerWaalsContact O-OE1 3.13Å; R39-Q75 VanDerWaalsContact N-OE1 3.17Å; I40-Q75 PolarHBondContact O-N 3.18Å; I40-Q75 PolarHBondContact O-OE1 2.87Å; G72-Q75 PolarHBondContact O-NE2 3Å; Q75-D167 PolarHBondContact O-N 2.85Å |
| 76 | R | 96.7 | Very high | 83.9 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150.6 | -176.1 | -45.1 | -172.4 | 173 | 94.2 | 6.9 | 112.1 | I40 T41 V42 F74 D167 F331 A332 T334 G335 | I40-R76 PolarHBondContact O-N 2.98Å; T41-R76 WeakPolarHBondContact CA-O 3.36Å; T41-R76 HydrophobicContact CG2-CB 3.92Å; V42-R76 PolarHBondContact N-O 2.84Å; F74-R76 WeakPolarHBondContact CD2-O 3.32Å; R76-D167 CarbonylContact C-O 3.56Å; R76-D167 WeakPolarHBondContact CA-O 3.19Å; R76-D167 HydrophobicContact CB-CB 4.23Å; R76-D167 WeakPolarHBondContact CD-OD2 3.45Å; R76-D167 HydrophobicContact CG-CB 3.87Å; R76-D167 IonicContact CZ-OD2 3.12Å; R76-D167 IonicContact NE-OD2 2.66Å; R76-D167 PolarHBondContact NE-OD2 3.04Å; R76-D167 IonicContact NH2-OD2 2.99Å; R76-F331 HydrophobicContact CB-CE1 3.88Å; R76-F331 HydrophobicContact CB-CZ 4.24Å; R76-F331 WeakPolarHBondContact CD-O 3.43Å; R76-F331 PolarHBondContact NE-O 3.41Å; R76-A332 PolarHBondContact NH1-O 2.88Å; R76-T334 VanDerWaalsContact NH2-C 3.3Å; R76-T334 PolarHBondContact NH2-O 3.42Å; R76-G335 VanDerWaalsContact NE-N 3.11Å |
| 77 | A | 98.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V42 V52 T56 F74 D167 I168 M169 F331 | V42-A77 CarbonylContact O-C 3.5Å; V42-A77 VanDerWaalsContact O-CA 3.29Å; V42-A77 WeakPolarHBondContact O-CA 3.42Å; V52-A77 HydrophobicContact CG1-CB 3.46Å; V52-A77 VanDerWaalsContact CG1-CB 3.46Å; T56-A77 HydrophobicContact CG2-CB 4.09Å; F74-A77 HydrophobicContact CE2-CB 4.49Å; A77-D167 PolarHBondContact N-O 3.39Å; A77-I168 HydrophobicContact CB-CD1 4.43Å; A77-I168 HydrophobicContact CB-CG1 4.13Å; A77-I168 WeakPolarHBondContact O-CA 3.49Å; A77-M169 PolarHBondContact O-N 2.92Å; A77-F331 WeakPolarHBondContact O-CE1 3.35Å |
| 78 | I | 98.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.3 | 165.4 | -44.6 | 177.5 | 0 | 0 | 0 | 109.3 | T41 V42 F43 G44 Q80 M169 W328 F331 | T41-I78 HydrophobicContact CG2-CD1 4.18Å; T41-I78 HydrophobicContact CG2-CG1 4Å; V42-I78 PolarHBondContact O-N 2.82Å; F43-I78 VanDerWaalsContact CA-O 3.28Å; F43-I78 WeakPolarHBondContact CA-O 3.34Å; F43-I78 HydrophobicContact CB-CB 3.68Å; F43-I78 HydrophobicContact CB-CD1 4.35Å; F43-I78 HydrophobicContact CB-CG1 4.21Å; G44-I78 PolarHBondContact N-O 3.4Å; I78-Q80 HydrophobicContact CG2-CG 4.2Å; I78-M169 CarbonylContact C-O 3.58Å; I78-M169 VanDerWaalsContact CA-O 3.22Å; I78-M169 WeakPolarHBondContact CA-O 3.45Å; I78-M169 HydrophobicContact CB-CB 4.47Å; I78-M169 HydrophobicContact CD1-SD 4.33Å; I78-M169 HydrophobicContact CG1-CB 4.21Å; I78-M169 HydrophobicContact CG2-CB 4.05Å; I78-M169 HydrophobicContact CG2-CG 4.03Å; I78-M169 HydrophobicContact CG2-SD 3.88Å; I78-W328 HydrophobicContact CD1-CB 4.47Å; I78-W328 HydrophobicContact CD1-CG 4.04Å; I78-W328 HydrophobicContact CG2-CZ2 4.5Å; I78-F331 HydrophobicContact CD1-CD1 3.84Å; I78-F331 HydrophobicContact CD1-CE1 4.37Å; I78-F331 HydrophobicContact CG1-CD1 3.72Å; I78-F331 HydrophobicContact CG1-CE1 3.72Å |
| 79 | A | 98.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 101 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A49 N53 M169 L170 G171 | A49-A79 HydrophobicContact CB-CB 4.1Å; N53-A79 VanDerWaalsContact ND2-CB 3.3Å; N53-A79 WeakPolarHBondContact ND2-CB 3.31Å; A79-M169 PolarHBondContact N-O 3.47Å; A79-L170 HydrophobicContact CB-CB 4.11Å; A79-L170 VanDerWaalsContact O-CA 3.28Å; A79-L170 WeakPolarHBondContact O-CA 3.3Å; A79-L170 WeakPolarHBondContact O-CB 3.31Å; A79-G171 PolarHBondContact O-N 3.21Å |
| 80 | Q | 98.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.5 | -179.1 | -55.8 | 170 | -159.2 | 0 | 0 | 109.9 | G44 S45 G46 A49 I78 G82 Y271 E293 W328 | G44-Q80 WeakPolarHBondContact O-CB 3.48Å; G44-Q80 PolarHBondContact O-N 3.3Å; S45-Q80 CarbonylContact C-O 3.33Å; S45-Q80 VanDerWaalsContact CA-O 3.24Å; S45-Q80 WeakPolarHBondContact CA-O 3.48Å; G46-Q80 PolarHBondContact N-O 2.93Å; A49-Q80 WeakPolarHBondContact CB-O 3.41Å; I78-Q80 HydrophobicContact CG2-CG 4.2Å; Q80-G82 VanDerWaalsContact C-N 3.26Å; Q80-G82 PolarHBondContact O-N 3.36Å; Q80-G82 VanDerWaalsContact O-N 3.1Å; Q80-Y271 WeakPolarHBondContact CA-OH 3.37Å; Q80-Y271 WeakPolarHBondContact CB-OH 3.46Å; Q80-Y271 WeakPolarHBondContact CG-OH 3.42Å; Q80-E293 HydrophobicContact CB-CG 4.45Å; Q80-E293 WeakPolarHBondContact CB-OE1 3.33Å; Q80-E293 PolarHBondContact NE2-OE1 2.95Å; Q80-W328 HydrophobicContact CG-CZ2 4.35Å |
| 81 | S | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 52.8 | 39.5 | 170.2 | -60.8 | 0 | 0 | 0 | 0 | 114.6 | G46 G171 E176 W250 H290 | G46-S81 WeakPolarHBondContact CA-O 3.32Å; S81-G171 PolarHBondContact N-O 3.07Å; S81-E176 WeakPolarHBondContact CB-OE1 3.48Å; S81-E176 PolarHBondContact OG-OE1 2.73Å; S81-W250 PolarHBondContact O-NE1 3.48Å; S81-W250 VanDerWaalsContact O-NE1 3.1Å; S81-H290 PolarHBondContact O-CE1 3.03Å; S81-H290 VanDerWaalsContact O-CE1 3.31Å |
| 82 | G | 98.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 8% | 0.082 | 8% | 0.083 | C | C | . | . | trans | -176.9 | 147 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A49 N53 Q80 | A49-G82 VanDerWaalsContact CB-O 3.31Å; A49-G82 WeakPolarHBondContact CB-O 3.44Å; N53-G82 PolarHBondContact ND2-O 3.36Å; Q80-G82 VanDerWaalsContact C-N 3.26Å; Q80-G82 PolarHBondContact O-N 3.36Å; Q80-G82 VanDerWaalsContact O-N 3.1Å | ||
| 83 | T | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | trans | -138 | 173.6 | -178.8 | 70.9 | 0 | 0 | 0 | 0 | 111 | S50 L85 S86 A89 P253 A254 | S50-T83 VanDerWaalsContact CB-O 3.29Å; S50-T83 WeakPolarHBondContact CB-O 3.2Å; S50-T83 PolarHBondContact OG-O 3.16Å; T83-L85 VanDerWaalsContact C-N 3.26Å; T83-L85 PolarHBondContact OG1-N 3.39Å; T83-L85 VanDerWaalsContact OG1-N 3.16Å; T83-S86 PolarHBondContact O-OG 3.41Å; T83-A89 WeakPolarHBondContact O-CB 3.45Å; T83-P253 HydrophobicContact CG2-CB 4.27Å; T83-P253 WeakPolarHBondContact OG1-CB 3.26Å; T83-A254 HydrophobicContact CG2-CB 4.19Å | ||
| 84 | A | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.033 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N53 L54 L57 A89 P154 M158 | N53-A84 HydrophobicContact CB-CB 3.84Å; L54-A84 HydrophobicContact CD2-CB 3.84Å; L54-A84 HydrophobicContact CG-CB 3.95Å; L57-A84 HydrophobicContact CD1-CB 4.2Å; A84-A89 WeakPolarHBondContact O-CB 3.23Å; A84-P154 HydrophobicContact CB-CB 3.69Å; A84-P154 HydrophobicContact CB-CG 4.14Å; A84-M158 HydrophobicContact CB-CE 4.28Å |
| 85 | L | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 19% | 0.194 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.9 | -171 | -52.7 | -180 | 0 | 0 | 0 | 114.2 | T83 P154 Q155 M158 P253 A256 T257 | T83-L85 VanDerWaalsContact C-N 3.26Å; T83-L85 PolarHBondContact OG1-N 3.39Å; T83-L85 VanDerWaalsContact OG1-N 3.16Å; L85-P154 HydrophobicContact CD2-CB 4.05Å; L85-Q155 HydrophobicContact CD2-CB 4.12Å; L85-M158 HydrophobicContact CD1-SD 3.9Å; L85-M158 HydrophobicContact CD2-SD 4.07Å; L85-M158 HydrophobicContact CG-CE 4.49Å; L85-M158 HydrophobicContact CG-SD 4.09Å; L85-P253 HydrophobicContact CB-CB 4.24Å; L85-A256 HydrophobicContact CD1-CB 4Å; L85-T257 WeakPolarHBondContact CD1-OG1 3.47Å |
| 86 | S | 97.1 | Very high | 98 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -81.5 | 148.7 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | T83 W88 A89 | T83-S86 PolarHBondContact O-OG 3.41Å; S86-W88 PolarHBondContact O-N 3.21Å; S86-W88 PolarHBondContact OG-NE1 2.87Å; S86-W88 VanDerWaalsContact OG-NE1 3.08Å; S86-A89 VanDerWaalsContact O-CB 3.29Å; S86-A89 WeakPolarHBondContact O-CB 3.39Å; S86-A89 PolarHBondContact O-N 3.12Å |
| 87 | S | 96.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.8 | -174.3 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | Y137 Q249 | S87-Y137 CarbonylContact C-O 3.1Å; S87-Y137 WeakPolarHBondContact CB-O 3.45Å; S87-Y137 PolarHBondContact OG-O 2.75Å; S87-Q249 PolarHBondContact OG-NE2 2.85Å |
| 88 | W | 97.1 | Very high | 98.1 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 27% | 0.265 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1.8 | 178.9 | 50.2 | 39.9 | 0 | 0 | 0 | 114.4 | S86 Y137 I139 F245 Q249 W250 | S86-W88 PolarHBondContact O-N 3.21Å; S86-W88 PolarHBondContact OG-NE1 2.87Å; S86-W88 VanDerWaalsContact OG-NE1 3.08Å; W88-Y137 PolarHBondContact N-O 3Å; W88-I139 HydrophobicContact CB-CG2 4Å; W88-I139 VanDerWaalsContact O-CD1 3.28Å; W88-I139 WeakPolarHBondContact O-CD1 3.47Å; W88-I139 WeakPolarHBondContact O-CG1 3.34Å; W88-I139 WeakPolarHBondContact O-CG2 3.45Å; W88-F245 HydrophobicContact CH2-CE1 4.16Å; W88-F245 HydrophobicContact CH2-CZ 4.25Å; W88-F245 HydrophobicContact CZ3-CE1 4.32Å; W88-F245 HydrophobicContact CZ3-CZ 4.02Å; W88-Q249 HydrophobicContact CH2-CB 3.59Å; W88-Q249 HydrophobicContact CH2-CG 3.72Å; W88-Q249 HydrophobicContact CZ2-CB 3.65Å; W88-Q249 HydrophobicContact CZ2-CG 4.2Å; W88-Q249 HydrophobicContact CZ3-CB 4.46Å; W88-Q249 HydrophobicContact CZ3-CG 4.14Å; W88-Q249 VanDerWaalsContact CZ3-NE2 3.34Å; W88-W250 HydrophobicContact CH2-CE3 4.47Å; W88-W250 AromaticContact CH2-CH2 3.56Å; W88-W250 HydrophobicContact CH2-CH2 3.56Å; W88-W250 AromaticContact CH2-CZ2 3.57Å; W88-W250 HydrophobicContact CH2-CZ2 3.57Å; W88-W250 HydrophobicContact CH2-CZ3 4.01Å; W88-W250 HydrophobicContact CZ2-CD2 4.18Å; W88-W250 AromaticContact CZ2-CE2 3.68Å; W88-W250 HydrophobicContact CZ2-CH2 4.05Å; W88-W250 AromaticContact CZ2-CZ2 3.62Å; W88-W250 HydrophobicContact CZ2-CZ2 3.62Å; W88-W250 HydrophobicContact CZ2-CZ3 4.45Å |
| 89 | A | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -33.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T83 A84 S86 P143 | T83-A89 WeakPolarHBondContact O-CB 3.45Å; A84-A89 WeakPolarHBondContact O-CB 3.23Å; S86-A89 VanDerWaalsContact O-CB 3.29Å; S86-A89 WeakPolarHBondContact O-CB 3.39Å; S86-A89 PolarHBondContact O-N 3.12Å; A89-P143 WeakPolarHBondContact O-CD 3.28Å; A89-P143 WeakPolarHBondContact O-CG 3.44Å |
| 90 | V | 98.3 | Very high | 98 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -127.9 | 138.5 | -177.1 | 178.7 | 0 | 0 | 0 | 0 | 110 | L54 F92 P143 I145 P154 | L54-V90 HydrophobicContact CD2-CG2 4.4Å; V90-F92 HydrophobicContact CB-CD2 4.42Å; V90-F92 HydrophobicContact CB-CE2 3.89Å; V90-F92 HydrophobicContact CB-CZ 4.1Å; V90-F92 HydrophobicContact CG1-CD1 4.48Å; V90-F92 HydrophobicContact CG1-CD2 4.32Å; V90-F92 HydrophobicContact CG1-CE1 4.27Å; V90-F92 HydrophobicContact CG1-CE2 4.09Å; V90-F92 HydrophobicContact CG1-CZ 4.06Å; V90-P143 CarbonylContact C-O 3.52Å; V90-P143 WeakPolarHBondContact CA-O 3.22Å; V90-I145 HydrophobicContact CG1-CG1 4.19Å; V90-P154 HydrophobicContact CG2-CG 3.97Å |
| 91 | S | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | trans | -92.9 | 100.7 | 172.3 | 167.7 | 0 | 0 | 0 | 0 | 109.9 | Q93 P94 P143 | S91-Q93 VanDerWaalsContact C-N 3.29Å; S91-Q93 PolarHBondContact O-N 3.27Å; S91-P94 WeakPolarHBondContact O-CD 3.44Å; S91-P143 PolarHBondContact N-O 3.32Å | ||
| 92 | F | 97.1 | Very high | 98 | Very high | 121 Ų | 121 | 33.9 Ų | 33.9 | 53% | 0.531 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -77 | -7.5 | 177.5 | -64.9 | -86.6 | 0 | 0 | 0 | 114.7 | V90 P94 I145 D153 | V90-F92 HydrophobicContact CB-CD2 4.42Å; V90-F92 HydrophobicContact CB-CE2 3.89Å; V90-F92 HydrophobicContact CB-CZ 4.1Å; V90-F92 HydrophobicContact CG1-CD1 4.48Å; V90-F92 HydrophobicContact CG1-CD2 4.32Å; V90-F92 HydrophobicContact CG1-CE1 4.27Å; V90-F92 HydrophobicContact CG1-CE2 4.09Å; V90-F92 HydrophobicContact CG1-CZ 4.06Å; F92-P94 VanDerWaalsContact C-CD 3.41Å; F92-I145 HydrophobicContact CD1-CD1 4.22Å; F92-I145 HydrophobicContact CE1-CD1 3.71Å; F92-D153 WeakPolarHBondContact CE1-OD2 3.28Å |
| 93 | Q | 97.7 | Very high | 98 | Very high | 100 Ų | 100 | 41 Ų | 41 | 47% | 0.467 | 19% | 0.191 | S | C | . | . | trans | -125.5 | 47.9 | -179.7 | -61.9 | -172.2 | -14.1 | 0 | 0 | 113.6 | S91 A95 K96 Y97 | S91-Q93 VanDerWaalsContact C-N 3.29Å; S91-Q93 PolarHBondContact O-N 3.27Å; Q93-A95 PolarHBondContact O-N 2.73Å; Q93-K96 HydrophobicContact CB-CB 4.28Å; Q93-K96 HydrophobicContact CB-CD 4.16Å; Q93-K96 WeakPolarHBondContact O-CB 3.36Å; Q93-K96 PolarHBondContact O-N 2.96Å; Q93-Y97 HydrophobicContact CB-CD2 4.47Å; Q93-Y97 HydrophobicContact CB-CE2 3.99Å; Q93-Y97 WeakPolarHBondContact O-CD2 3.36Å | ||
| 94 | P | 98.2 | Very high | 98 | Very high | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | -169.9 | 26.4 | -32.4 | 0 | 0 | 0 | 113 | S4 S91 F92 K96 Y97 A98 V144 | S4-P94 CarbonylContact O-C 3.43Å; S91-P94 WeakPolarHBondContact O-CD 3.44Å; F92-P94 VanDerWaalsContact C-CD 3.41Å; P94-K96 PolarHBondContact O-N 3.4Å; P94-Y97 PolarHBondContact O-N 3.05Å; P94-Y97 VanDerWaalsContact O-N 3.12Å; P94-A98 WeakPolarHBondContact O-CB 3.46Å; P94-A98 PolarHBondContact O-N 3.1Å; P94-V144 HydrophobicContact CB-CG1 3.79Å; P94-V144 HydrophobicContact CG-CG1 3.95Å |
| 95 | A | 98.3 | Very high | 98 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.5 | -35.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T5 Q93 R99 | T5-A95 VanDerWaalsContact O-CB 3.23Å; T5-A95 WeakPolarHBondContact O-CB 3.4Å; Q93-A95 PolarHBondContact O-N 2.73Å; A95-R99 PolarHBondContact O-N 2.8Å |
| 96 | K | 98.3 | Very high | 98 | Very high | 98 Ų | 98 | 47.3 Ų | 47.3 | 43% | 0.426 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -52.5 | 175.9 | 171.3 | -169.6 | 171 | -168.3 | 0 | 110.4 | Q93 P94 R99 M100 | Q93-K96 HydrophobicContact CB-CB 4.28Å; Q93-K96 HydrophobicContact CB-CD 4.16Å; Q93-K96 WeakPolarHBondContact O-CB 3.36Å; Q93-K96 PolarHBondContact O-N 2.96Å; P94-K96 PolarHBondContact O-N 3.4Å; K96-R99 PolarHBondContact O-N 3.13Å; K96-M100 HydrophobicContact CG-SD 4.2Å; K96-M100 WeakPolarHBondContact O-CG 3.46Å; K96-M100 PolarHBondContact O-N 3.17Å |
| 97 | Y | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.3 | -35.1 | -177.8 | -59.2 | -59.8 | 0 | 0 | 0 | 112.5 | Q93 P94 M100 L101 I132 P134 A135 A140 | Q93-Y97 HydrophobicContact CB-CD2 4.47Å; Q93-Y97 HydrophobicContact CB-CE2 3.99Å; Q93-Y97 WeakPolarHBondContact O-CD2 3.36Å; P94-Y97 PolarHBondContact O-N 3.05Å; P94-Y97 VanDerWaalsContact O-N 3.12Å; Y97-M100 HydrophobicContact CD1-SD 3.87Å; Y97-M100 HydrophobicContact CE1-SD 4.27Å; Y97-M100 PolarHBondContact O-N 2.68Å; Y97-L101 PolarHBondContact O-N 2.98Å; Y97-I132 HydrophobicContact CD1-CG2 3.97Å; Y97-I132 HydrophobicContact CG-CG2 4.49Å; Y97-P134 HydrophobicContact CE1-CB 4.28Å; Y97-A135 PolarHBondContact OH-N 2.91Å; Y97-A140 HydrophobicContact CD1-CB 3.94Å; Y97-A140 HydrophobicContact CD2-CB 4.07Å; Y97-A140 WeakPolarHBondContact CD2-O 2.94Å; Y97-A140 HydrophobicContact CE1-CB 4.38Å; Y97-A140 HydrophobicContact CE2-CB 4.46Å; Y97-A140 HydrophobicContact CG-CB 3.79Å |
| 98 | A | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L3 S4 P94 L101 A102 | L3-A98 HydrophobicContact CD1-CB 4.48Å; L3-A98 HydrophobicContact CG-CB 4.22Å; S4-A98 VanDerWaalsContact O-CB 3.26Å; S4-A98 WeakPolarHBondContact O-CB 3.05Å; P94-A98 WeakPolarHBondContact O-CB 3.46Å; P94-A98 PolarHBondContact O-N 3.1Å; A98-L101 PolarHBondContact O-N 2.95Å; A98-A102 VanDerWaalsContact O-CB 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.21Å; A98-A102 PolarHBondContact O-N 3.47Å |
| 99 | R | 98.3 | Very high | 97.9 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 33% | 0.328 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.7 | -32.4 | 174.6 | -72.6 | -166.8 | -175.3 | -89.5 | 5.1 | 113 | A95 K96 R103 L109 E110 L115 | A95-R99 PolarHBondContact O-N 2.8Å; K96-R99 PolarHBondContact O-N 3.13Å; R99-R103 WeakPolarHBondContact O-CG 3.3Å; R99-R103 PolarHBondContact O-N 3.46Å; R99-L109 PolarHBondContact NH1-O 3.39Å; R99-E110 PolarHBondContact NH1-O 3.39Å; R99-E110 VanDerWaalsContact NH1-O 3.1Å; R99-E110 PolarHBondContact NH2-O 3.39Å; R99-L115 HydrophobicContact CG-CD1 4.18Å |
| 100 | M | 98.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 172.3 | -74.7 | 171.9 | 62.4 | 0 | 0 | 111.8 | K96 Y97 R103 K104 I132 | K96-M100 HydrophobicContact CG-SD 4.2Å; K96-M100 WeakPolarHBondContact O-CG 3.46Å; K96-M100 PolarHBondContact O-N 3.17Å; Y97-M100 HydrophobicContact CD1-SD 3.87Å; Y97-M100 HydrophobicContact CE1-SD 4.27Å; Y97-M100 PolarHBondContact O-N 2.68Å; M100-R103 PolarHBondContact O-N 3.47Å; M100-K104 PolarHBondContact O-N 2.64Å; M100-I132 HydrophobicContact CB-CD1 4.12Å; M100-I132 HydrophobicContact CE-CG2 4.42Å |
| 101 | L | 98.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 175.1 | 177 | 64.6 | 0 | 0 | 0 | 111.2 | L3 Y97 A98 R103 K104 V105 Q130 I132 F141 | L3-L101 HydrophobicContact CD1-CD2 3.85Å; Y97-L101 PolarHBondContact O-N 2.98Å; A98-L101 PolarHBondContact O-N 2.95Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 2.65Å; L101-K104 PolarHBondContact O-N 3.19Å; L101-V105 HydrophobicContact CD1-CG1 4.42Å; L101-V105 PolarHBondContact O-N 3.07Å; L101-V105 VanDerWaalsContact O-N 3.13Å; L101-Q130 HydrophobicContact CD1-CB 3.63Å; L101-Q130 HydrophobicContact CD1-CG 3.63Å; L101-I132 HydrophobicContact CB-CD1 4.24Å; L101-I132 HydrophobicContact CB-CG1 4.36Å; L101-I132 HydrophobicContact CD1-CG1 4.35Å; L101-F141 HydrophobicContact CB-CZ 4.01Å; L101-F141 HydrophobicContact CD2-CE2 4.48Å; L101-F141 HydrophobicContact CD2-CZ 3.96Å |
| 102 | A | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.1 | -39.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A98 G106 C107 L115 L119 | A98-A102 VanDerWaalsContact O-CB 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.21Å; A98-A102 PolarHBondContact O-N 3.47Å; A102-G106 PolarHBondContact O-N 3.34Å; A102-G106 VanDerWaalsContact O-N 3.17Å; A102-C107 HydrophobicContact CB-CB 4.18Å; A102-C107 CarbonylContact O-C 3.39Å; A102-C107 WeakPolarHBondContact O-CA 3.29Å; A102-C107 PolarHBondContact O-N 3.2Å; A102-L115 HydrophobicContact CB-CD1 3.76Å; A102-L115 HydrophobicContact CB-CD2 3.99Å; A102-L115 HydrophobicContact CB-CG 3.81Å; A102-L119 HydrophobicContact CB-CD2 4.34Å |
| 103 | R | 97.9 | Very high | 97.8 | Very high | 158 Ų | 158 | 61.5 Ų | 61.5 | 60% | 0.596 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 171.9 | -77.7 | 170.1 | -177.1 | 171.4 | 4.5 | 112.8 | R99 M100 L101 V105 G106 N108 | R99-R103 WeakPolarHBondContact O-CG 3.3Å; R99-R103 PolarHBondContact O-N 3.46Å; M100-R103 PolarHBondContact O-N 3.47Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 2.65Å; R103-V105 PolarHBondContact O-N 2.93Å; R103-G106 PolarHBondContact O-N 3.23Å; R103-G106 VanDerWaalsContact O-N 3.15Å; R103-N108 HydrophobicContact CG-CB 4.06Å; R103-N108 WeakPolarHBondContact CG-OD1 3.24Å; R103-N108 PolarHBondContact NE-OD1 2.96Å; R103-N108 VanDerWaalsContact NE-OD1 3.15Å |
| 104 | K | 98.2 | Very high | 97.8 | Very high | 109 Ų | 109 | 62.4 Ų | 62.4 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | -178.5 | -73.9 | -158.3 | 171.3 | -166.6 | 0 | 113.2 | M100 L101 Q130 D131 I132 | M100-K104 PolarHBondContact O-N 2.64Å; L101-K104 PolarHBondContact O-N 3.19Å; K104-Q130 HydrophobicContact CB-CG 4.43Å; K104-Q130 HydrophobicContact CD-CB 4.47Å; K104-D131 WeakPolarHBondContact CE-O 3.43Å; K104-D131 PolarHBondContact NZ-O 2.86Å; K104-I132 HydrophobicContact CD-CD1 3.97Å; K104-I132 HydrophobicContact CG-CD1 4.45Å |
| 105 | V | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 9 | 178 | -52.2 | 0 | 0 | 0 | 0 | 114 | L101 R103 C107 L119 K122 E126 L127 Q130 | L101-V105 HydrophobicContact CD1-CG1 4.42Å; L101-V105 PolarHBondContact O-N 3.07Å; L101-V105 VanDerWaalsContact O-N 3.13Å; R103-V105 PolarHBondContact O-N 2.93Å; V105-C107 HydrophobicContact CG2-CB 4.31Å; V105-C107 PolarHBondContact O-N 3.29Å; V105-L119 HydrophobicContact CG2-CD2 3.54Å; V105-K122 HydrophobicContact CG2-CG 4.24Å; V105-K122 WeakPolarHBondContact O-CE 3.28Å; V105-K122 PolarHBondContact O-NZ 3.01Å; V105-E126 HydrophobicContact CG1-CG 4.23Å; V105-E126 WeakPolarHBondContact CG1-O 3.18Å; V105-L127 HydrophobicContact CG1-CD2 4.16Å; V105-L127 HydrophobicContact CG2-CD2 4.07Å; V105-Q130 HydrophobicContact CG1-CG 3.85Å |
| 106 | G | 97.8 | Very high | 97.9 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 18.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A102 R103 | A102-G106 PolarHBondContact O-N 3.34Å; A102-G106 VanDerWaalsContact O-N 3.17Å; R103-G106 PolarHBondContact O-N 3.23Å; R103-G106 VanDerWaalsContact O-N 3.15Å |
| 107 | C | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -96 | 39.3 | 170.8 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | A102 V105 L109 C118 L119 | A102-C107 HydrophobicContact CB-CB 4.18Å; A102-C107 CarbonylContact O-C 3.39Å; A102-C107 WeakPolarHBondContact O-CA 3.29Å; A102-C107 PolarHBondContact O-N 3.2Å; V105-C107 HydrophobicContact CG2-CB 4.31Å; V105-C107 PolarHBondContact O-N 3.29Å; C107-L109 PolarHBondContact O-N 3.5Å; C107-C118 WeakPolarHBondContact CA-SG 3.48Å; C107-C118 HydrophobicContact CB-CB 3.66Å; C107-C118 WeakPolarHBondContact CB-SG 3.44Å; C107-C118 WeakPolarHBondContact SG-CB 3.38Å; C107-C118 CovalentContact SG-SG 2.04Å; C107-C118 PolarHBondContact SG-SG 3.04Å; C107-L119 HydrophobicContact CB-CD2 4.1Å; C107-L119 HydrophobicContact CB-CG 4.41Å | ||
| 108 | N | 95.1 | Very high | 97.9 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | trans | -77.6 | 72.1 | -178.4 | -176 | 73.7 | 0 | 0 | 0 | 111.7 | R103 | R103-N108 HydrophobicContact CG-CB 4.06Å; R103-N108 WeakPolarHBondContact CG-OD1 3.24Å; R103-N108 PolarHBondContact NE-OD1 2.96Å; R103-N108 VanDerWaalsContact NE-OD1 3.15Å | ||
| 109 | L | 96.1 | Very high | 97.9 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | trans | -104.1 | 148.4 | 176.9 | -58.4 | 173.6 | 0 | 0 | 0 | 110 | R99 C107 E114 L115 C118 | R99-L109 PolarHBondContact NH1-O 3.39Å; C107-L109 PolarHBondContact O-N 3.5Å; L109-E114 HydrophobicContact CD1-CB 3.81Å; L109-L115 HydrophobicContact CB-CB 4.31Å; L109-C118 HydrophobicContact CD1-CB 4.13Å | ||
| 110 | E | 95.1 | Very high | 97.9 | Very high | 177 Ų | 177 | 61.6 Ų | 61.6 | 83% | 0.827 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -76.4 | -48.6 | 179.7 | -67 | -168.1 | 162.3 | 0 | 0 | 111.1 | R99 | R99-E110 PolarHBondContact NH1-O 3.39Å; R99-E110 VanDerWaalsContact NH1-O 3.1Å; R99-E110 PolarHBondContact NH2-O 3.39Å |
| 111 | D | 98.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 68.7 Ų | 68.7 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -63.4 | 132 | 173.1 | -177.1 | -87.9 | 0 | 0 | 0 | 111.6 | V113 E114 L115 | D111-V113 WeakPolarHBondContact OD1-CA 3.3Å; D111-V113 WeakPolarHBondContact OD1-CB 3.39Å; D111-V113 PolarHBondContact OD1-N 3.24Å; D111-E114 HydrophobicContact CB-CB 4.3Å; D111-E114 HydrophobicContact CB-CG 4.23Å; D111-E114 PolarHBondContact OD1-N 2.86Å; D111-L115 VanDerWaalsContact O-CB 3.24Å; D111-L115 WeakPolarHBondContact O-CB 3.25Å; D111-L115 PolarHBondContact O-N 3.39Å |
| 112 | T | 98.2 | Very high | 97.9 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 14% | 0.135 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79 | -27.2 | -174.6 | 45.8 | 0 | 0 | 0 | 0 | 113 | T5 D7 V116 | T5-T112 HydrophobicContact CG2-CG2 4.23Å; D7-T112 VanDerWaalsContact OD2-CB 3.26Å; D7-T112 WeakPolarHBondContact OD2-CB 3.35Å; D7-T112 VanDerWaalsContact OD2-CG2 3.29Å; D7-T112 WeakPolarHBondContact OD2-CG2 3.35Å; D7-T112 PolarHBondContact OD2-OG1 3.4Å; T112-V116 WeakPolarHBondContact O-CB 3.47Å; T112-V116 VanDerWaalsContact O-CG2 3.25Å; T112-V116 WeakPolarHBondContact O-CG2 3.24Å; T112-V116 PolarHBondContact O-N 3.36Å |
| 113 | V | 98.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 76.2 Ų | 76.2 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72 | -45.3 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | A9 D111 V116 A117 | A9-V113 HydrophobicContact CB-CB 4.47Å; A9-V113 HydrophobicContact CB-CG2 3.84Å; D111-V113 WeakPolarHBondContact OD1-CA 3.3Å; D111-V113 WeakPolarHBondContact OD1-CB 3.39Å; D111-V113 PolarHBondContact OD1-N 3.24Å; V113-V116 PolarHBondContact O-N 2.87Å; V113-A117 WeakPolarHBondContact O-CB 3.37Å; V113-A117 PolarHBondContact O-N 3.15Å |
| 114 | E | 98.5 | Very high | 97.9 | Very high | 119 Ų | 119 | 76.3 Ų | 76.3 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.9 | -39.5 | 174.2 | -63.2 | -166.2 | 160.8 | 0 | 0 | 112 | L109 D111 A117 C118 | L109-E114 HydrophobicContact CD1-CB 3.81Å; D111-E114 HydrophobicContact CB-CB 4.3Å; D111-E114 HydrophobicContact CB-CG 4.23Å; D111-E114 PolarHBondContact OD1-N 2.86Å; E114-A117 PolarHBondContact O-N 3.31Å; E114-C118 WeakPolarHBondContact O-CB 3.28Å; E114-C118 PolarHBondContact O-N 3.15Å |
| 115 | L | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 173.2 | -179.5 | 157.2 | 0 | 0 | 0 | 111.1 | T5 R99 A102 L109 D111 C118 L119 | T5-L115 HydrophobicContact CG2-CD2 4.49Å; R99-L115 HydrophobicContact CG-CD1 4.18Å; A102-L115 HydrophobicContact CB-CD1 3.76Å; A102-L115 HydrophobicContact CB-CD2 3.99Å; A102-L115 HydrophobicContact CB-CG 3.81Å; L109-L115 HydrophobicContact CB-CB 4.31Å; D111-L115 VanDerWaalsContact O-CB 3.24Å; D111-L115 WeakPolarHBondContact O-CB 3.25Å; D111-L115 PolarHBondContact O-N 3.39Å; L115-C118 WeakPolarHBondContact O-CB 3.38Å; L115-C118 PolarHBondContact O-N 3.45Å; L115-L119 HydrophobicContact CD2-CD1 3.66Å; L115-L119 HydrophobicContact CD2-CG 4.25Å; L115-L119 WeakPolarHBondContact O-CG 3.28Å; L115-L119 PolarHBondContact O-N 3.04Å |
| 116 | V | 98.7 | Very high | 97.9 | Very high | 15 Ų | 15 | 79.2 Ų | 79.2 | 9% | 0.091 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.2 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | T5 A9 A10 T112 V113 C118 L119 Q120 | T5-V116 HydrophobicContact CG2-CG2 3.78Å; A9-V116 HydrophobicContact CB-CG2 4.18Å; A10-V116 HydrophobicContact CB-CG2 3.8Å; T112-V116 WeakPolarHBondContact O-CB 3.47Å; T112-V116 VanDerWaalsContact O-CG2 3.25Å; T112-V116 WeakPolarHBondContact O-CG2 3.24Å; T112-V116 PolarHBondContact O-N 3.36Å; V113-V116 PolarHBondContact O-N 2.87Å; V116-C118 VanDerWaalsContact C-N 3.27Å; V116-C118 PolarHBondContact O-N 3.03Å; V116-L119 PolarHBondContact O-N 3.49Å; V116-L119 VanDerWaalsContact O-N 3.17Å; V116-Q120 HydrophobicContact CG1-CG 4.4Å; V116-Q120 WeakPolarHBondContact O-CG 3.44Å; V116-Q120 PolarHBondContact O-N 3.15Å |
| 117 | A | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.3 | -31.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V113 E114 R121 | V113-A117 WeakPolarHBondContact O-CB 3.37Å; V113-A117 PolarHBondContact O-N 3.15Å; E114-A117 PolarHBondContact O-N 3.31Å; A117-R121 WeakPolarHBondContact O-CG 3.41Å |
| 118 | C | 98.7 | Very high | 97.9 | Very high | 27 Ų | 27 | 83.6 Ų | 83.6 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | C107 L109 E114 L115 V116 Q120 R121 | C107-C118 WeakPolarHBondContact CA-SG 3.48Å; C107-C118 HydrophobicContact CB-CB 3.66Å; C107-C118 WeakPolarHBondContact CB-SG 3.44Å; C107-C118 WeakPolarHBondContact SG-CB 3.38Å; C107-C118 CovalentContact SG-SG 2.04Å; C107-C118 PolarHBondContact SG-SG 3.04Å; L109-C118 HydrophobicContact CD1-CB 4.13Å; E114-C118 WeakPolarHBondContact O-CB 3.28Å; E114-C118 PolarHBondContact O-N 3.15Å; L115-C118 WeakPolarHBondContact O-CB 3.38Å; L115-C118 PolarHBondContact O-N 3.45Å; V116-C118 VanDerWaalsContact C-N 3.27Å; V116-C118 PolarHBondContact O-N 3.03Å; C118-Q120 VanDerWaalsContact C-N 3.32Å; C118-Q120 PolarHBondContact O-N 2.93Å; C118-R121 PolarHBondContact O-N 3.19Å; C118-R121 VanDerWaalsContact O-N 3.09Å |
| 119 | L | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 83.5 Ų | 83.5 | 5% | 0.047 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 177 | -69.6 | 179 | 0 | 0 | 0 | 112.3 | L3 A102 V105 C107 L115 V116 R121 K122 L127 | L3-L119 HydrophobicContact CD1-CD1 3.64Å; L3-L119 HydrophobicContact CD2-CD1 4.44Å; A102-L119 HydrophobicContact CB-CD2 4.34Å; V105-L119 HydrophobicContact CG2-CD2 3.54Å; C107-L119 HydrophobicContact CB-CD2 4.1Å; C107-L119 HydrophobicContact CB-CG 4.41Å; L115-L119 HydrophobicContact CD2-CD1 3.66Å; L115-L119 HydrophobicContact CD2-CG 4.25Å; L115-L119 WeakPolarHBondContact O-CG 3.28Å; L115-L119 PolarHBondContact O-N 3.04Å; V116-L119 PolarHBondContact O-N 3.49Å; V116-L119 VanDerWaalsContact O-N 3.17Å; L119-R121 PolarHBondContact O-N 3.22Å; L119-K122 WeakPolarHBondContact O-CB 3.47Å; L119-K122 PolarHBondContact O-N 2.99Å; L119-L127 HydrophobicContact CD2-CD2 3.85Å |
| 120 | Q | 98.6 | Very high | 98.1 | Very high | 152 Ų | 152 | 83 Ų | 83 | 71% | 0.71 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63 | -21.5 | 176.3 | -74.5 | 173.9 | -14.7 | 0 | 0 | 113.9 | V116 C118 | V116-Q120 HydrophobicContact CG1-CG 4.4Å; V116-Q120 WeakPolarHBondContact O-CG 3.44Å; V116-Q120 PolarHBondContact O-N 3.15Å; C118-Q120 VanDerWaalsContact C-N 3.32Å; C118-Q120 PolarHBondContact O-N 2.93Å |
| 121 | R | 98.4 | Very high | 98.2 | Very high | 213 Ų | 213 | 79 Ų | 79 | 80% | 0.804 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9 | 175.2 | -66.6 | 168.7 | -172.4 | 159.3 | 5.1 | 113 | A117 C118 L119 | A117-R121 WeakPolarHBondContact O-CG 3.41Å; C118-R121 PolarHBondContact O-N 3.19Å; C118-R121 VanDerWaalsContact O-N 3.09Å; L119-R121 PolarHBondContact O-N 3.22Å |
| 122 | K | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 76.2 Ų | 76.2 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -77.1 | 147.3 | 176.3 | -62.3 | -52.6 | -158.8 | 143.4 | 0 | 111 | V105 L119 Y124 E126 L127 | V105-K122 HydrophobicContact CG2-CG 4.24Å; V105-K122 WeakPolarHBondContact O-CE 3.28Å; V105-K122 PolarHBondContact O-NZ 3.01Å; L119-K122 WeakPolarHBondContact O-CB 3.47Å; L119-K122 PolarHBondContact O-N 2.99Å; K122-Y124 PolarHBondContact O-N 3.05Å; K122-E126 WeakPolarHBondContact CE-OE1 3.49Å; K122-E126 IonicContact NZ-OE1 2.67Å; K122-E126 PolarHBondContact NZ-OE1 2.82Å; K122-E126 IonicContact NZ-OE2 3.69Å; K122-L127 HydrophobicContact CB-CD1 4.43Å; K122-L127 HydrophobicContact CB-CD2 3.74Å; K122-L127 HydrophobicContact CB-CG 4.03Å; K122-L127 HydrophobicContact CG-CD2 4.03Å |
| 123 | H | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 81.5 Ų | 81.5 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | trans | -67.6 | 131.8 | 169.5 | -175.7 | -95.2 | 0 | 0 | 0 | 108.8 | K125 E126 | H123-K125 WeakPolarHBondContact ND1-CB 3.19Å; H123-K125 PolarHBondContact ND1-N 2.92Å; H123-K125 PolarHBondContact O-N 3.46Å; H123-E126 WeakPolarHBondContact O-CA 3.37Å; H123-E126 WeakPolarHBondContact O-CB 3.41Å; H123-E126 PolarHBondContact O-N 3.24Å | ||
| 124 | Y | 97.9 | Very high | 97.8 | Very high | 160 Ų | 160 | 79.1 Ų | 79.1 | 63% | 0.627 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.5 | -35.4 | -171.7 | 72.6 | -85.5 | 0 | 0 | 0 | 113.6 | K122 E126 L127 V128 | K122-Y124 PolarHBondContact O-N 3.05Å; Y124-E126 VanDerWaalsContact C-N 3.3Å; Y124-E126 PolarHBondContact O-N 3.29Å; Y124-L127 WeakPolarHBondContact O-CB 3.45Å; Y124-L127 PolarHBondContact O-N 3.36Å; Y124-V128 WeakPolarHBondContact O-CG2 3.28Å; Y124-V128 PolarHBondContact O-N 2.94Å |
| 125 | K | 98.1 | Very high | 97.6 | Very high | 101 Ų | 101 | 75.6 Ų | 75.6 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 177 | -172.9 | 163.3 | 177 | 53.7 | 0 | 113.2 | H123 L127 V128 D129 | H123-K125 WeakPolarHBondContact ND1-CB 3.19Å; H123-K125 PolarHBondContact ND1-N 2.92Å; H123-K125 PolarHBondContact O-N 3.46Å; K125-L127 PolarHBondContact O-N 3.46Å; K125-V128 PolarHBondContact O-N 3.02Å; K125-D129 WeakPolarHBondContact CE-OD2 3.43Å; K125-D129 WeakPolarHBondContact CG-OD2 3.19Å; K125-D129 IonicContact NZ-OD1 3.03Å; K125-D129 PolarHBondContact NZ-OD1 2.79Å; K125-D129 IonicContact NZ-OD2 2.96Å; K125-D129 PolarHBondContact NZ-OD2 3.42Å; K125-D129 VanDerWaalsContact O-CB 3.29Å; K125-D129 WeakPolarHBondContact O-CB 3.45Å; K125-D129 VanDerWaalsContact O-CG 3.22Å; K125-D129 PolarHBondContact O-N 3.38Å |
| 126 | E | 98.1 | Very high | 97.3 | Very high | 75 Ų | 75 | 81.1 Ų | 81.1 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -26 | 173.8 | -165.7 | -171.4 | 155.7 | 0 | 0 | 112.1 | V105 K122 H123 Y124 Q130 | V105-E126 HydrophobicContact CG1-CG 4.23Å; V105-E126 WeakPolarHBondContact CG1-O 3.18Å; K122-E126 WeakPolarHBondContact CE-OE1 3.49Å; K122-E126 IonicContact NZ-OE1 2.67Å; K122-E126 PolarHBondContact NZ-OE1 2.82Å; K122-E126 IonicContact NZ-OE2 3.69Å; H123-E126 WeakPolarHBondContact O-CA 3.37Å; H123-E126 WeakPolarHBondContact O-CB 3.41Å; H123-E126 PolarHBondContact O-N 3.24Å; Y124-E126 VanDerWaalsContact C-N 3.3Å; Y124-E126 PolarHBondContact O-N 3.29Å; E126-Q130 WeakPolarHBondContact O-CG 3.09Å; E126-Q130 PolarHBondContact O-NE2 3.28Å |
| 127 | L | 98.3 | Very high | 97.1 | Very high | 45 Ų | 45 | 81.7 Ų | 81.7 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -84.2 | -44.6 | 175.2 | -54.2 | 178.7 | 0 | 0 | 0 | 111.9 | V105 L119 K122 Y124 K125 | V105-L127 HydrophobicContact CG1-CD2 4.16Å; V105-L127 HydrophobicContact CG2-CD2 4.07Å; L119-L127 HydrophobicContact CD2-CD2 3.85Å; K122-L127 HydrophobicContact CB-CD1 4.43Å; K122-L127 HydrophobicContact CB-CD2 3.74Å; K122-L127 HydrophobicContact CB-CG 4.03Å; K122-L127 HydrophobicContact CG-CD2 4.03Å; Y124-L127 WeakPolarHBondContact O-CB 3.45Å; Y124-L127 PolarHBondContact O-N 3.36Å; K125-L127 PolarHBondContact O-N 3.46Å |
| 128 | V | 97.5 | Very high | 96.9 | Very high | 109 Ų | 109 | 83.3 Ų | 83.3 | 66% | 0.661 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -74.5 | -34.8 | -173.8 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | Y124 K125 Q130 | Y124-V128 WeakPolarHBondContact O-CG2 3.28Å; Y124-V128 PolarHBondContact O-N 2.94Å; K125-V128 PolarHBondContact O-N 3.02Å; V128-Q130 PolarHBondContact O-N 2.77Å; V128-Q130 VanDerWaalsContact O-N 3.15Å |
| 129 | D | 97.5 | Very high | 96.8 | Very high | 96 Ų | 96 | 84 Ų | 84 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 2.2 | 179.8 | -66.9 | -3.9 | 0 | 0 | 0 | 113.1 | K125 | K125-D129 WeakPolarHBondContact CE-OD2 3.43Å; K125-D129 WeakPolarHBondContact CG-OD2 3.19Å; K125-D129 IonicContact NZ-OD1 3.03Å; K125-D129 PolarHBondContact NZ-OD1 2.79Å; K125-D129 IonicContact NZ-OD2 2.96Å; K125-D129 PolarHBondContact NZ-OD2 3.42Å; K125-D129 VanDerWaalsContact O-CB 3.29Å; K125-D129 WeakPolarHBondContact O-CB 3.45Å; K125-D129 VanDerWaalsContact O-CG 3.22Å; K125-D129 PolarHBondContact O-N 3.38Å |
| 130 | Q | 98.1 | Very high | 96.8 | Very high | 56 Ų | 56 | 84 Ų | 84 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | trans | -82.7 | 123.4 | -178.5 | -60.1 | -58.6 | -31.9 | 0 | 0 | 112.4 | L101 K104 V105 E126 V128 I132 | L101-Q130 HydrophobicContact CD1-CB 3.63Å; L101-Q130 HydrophobicContact CD1-CG 3.63Å; K104-Q130 HydrophobicContact CB-CG 4.43Å; K104-Q130 HydrophobicContact CD-CB 4.47Å; V105-Q130 HydrophobicContact CG1-CG 3.85Å; E126-Q130 WeakPolarHBondContact O-CG 3.09Å; E126-Q130 PolarHBondContact O-NE2 3.28Å; V128-Q130 PolarHBondContact O-N 2.77Å; V128-Q130 VanDerWaalsContact O-N 3.15Å; Q130-I132 HydrophobicContact CB-CG1 4.29Å; Q130-I132 PolarHBondContact O-N 3.29Å; Q130-I132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | D | 96.5 | Very high | 96.8 | Very high | 92 Ų | 92 | 80.2 Ų | 80.2 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | trans | -68.9 | 102.6 | 171.2 | 176.5 | 39.1 | 0 | 0 | 0 | 111.4 | K104 Q133 | K104-D131 WeakPolarHBondContact CE-O 3.43Å; K104-D131 PolarHBondContact NZ-O 2.86Å; D131-Q133 WeakPolarHBondContact OD1-CG 3.24Å; D131-Q133 PolarHBondContact OD1-NE2 3.48Å | ||
| 132 | I | 96.9 | Very high | 96.8 | Very high | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | trans | -119.8 | 92 | 176.9 | -57.6 | -64.5 | 0 | 0 | 0 | 108.4 | Y97 M100 L101 K104 Q130 P134 A140 F141 | Y97-I132 HydrophobicContact CD1-CG2 3.97Å; Y97-I132 HydrophobicContact CG-CG2 4.49Å; M100-I132 HydrophobicContact CB-CD1 4.12Å; M100-I132 HydrophobicContact CE-CG2 4.42Å; L101-I132 HydrophobicContact CB-CD1 4.24Å; L101-I132 HydrophobicContact CB-CG1 4.36Å; L101-I132 HydrophobicContact CD1-CG1 4.35Å; K104-I132 HydrophobicContact CD-CD1 3.97Å; K104-I132 HydrophobicContact CG-CD1 4.45Å; Q130-I132 HydrophobicContact CB-CG1 4.29Å; Q130-I132 PolarHBondContact O-N 3.29Å; Q130-I132 VanDerWaalsContact O-N 3.1Å; I132-P134 WeakPolarHBondContact O-CD 3.29Å; I132-A140 HydrophobicContact CG2-CB 3.99Å; I132-F141 HydrophobicContact CB-CE2 4.13Å; I132-F141 HydrophobicContact CG1-CE2 4.2Å; I132-F141 HydrophobicContact CG2-CE2 4.01Å; I132-F141 HydrophobicContact CG2-CZ 4.41Å | ||
| 133 | Q | 95.2 | Very high | 96.8 | Very high | 132 Ų | 132 | 68.1 Ų | 68.1 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | trans | -78.2 | 122.8 | -179.8 | -65.3 | -61.1 | -37.4 | 0 | 0 | 111.4 | D131 | D131-Q133 WeakPolarHBondContact OD1-CG 3.24Å; D131-Q133 PolarHBondContact OD1-NE2 3.48Å | ||
| 134 | P | 94.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | trans | -77.1 | 177.9 | 169.4 | 32.9 | -33.3 | 0 | 0 | 0 | 111.8 | Y97 I132 H138 A140 | Y97-P134 HydrophobicContact CE1-CB 4.28Å; I132-P134 WeakPolarHBondContact O-CD 3.29Å; P134-H138 WeakPolarHBondContact CG-O 3.12Å; P134-A140 HydrophobicContact CB-CB 4.07Å; P134-A140 HydrophobicContact CG-CB 4.4Å | ||
| 135 | A | 93.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -58.9 | 150.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y97 H138 | Y97-A135 PolarHBondContact OH-N 2.91Å; A135-H138 HydrophobicContact CB-CB 4.32Å; A135-H138 WeakPolarHBondContact O-CB 3.21Å; A135-H138 PolarHBondContact O-N 2.97Å; A135-H138 VanDerWaalsContact O-N 3.16Å |
| 136 | R | 92.2 | Very high | 96.8 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 144.5 | -178.6 | -155.7 | -172.9 | -174.1 | -176.8 | -2.1 | 110.3 | H138 S202 D206 | R136-H138 PolarHBondContact O-N 3.46Å; R136-H138 PolarHBondContact O-ND1 3.4Å; R136-S202 PolarHBondContact NH1-OG 2.9Å; R136-D206 HydrophobicContact CB-CB 4.22Å; R136-D206 WeakPolarHBondContact CD-OD2 3.16Å; R136-D206 IonicContact CZ-OD2 3.72Å; R136-D206 IonicContact NE-OD2 3.89Å; R136-D206 IonicContact NH1-OD2 2.77Å; R136-D206 PolarHBondContact NH1-OD2 3.5Å |
| 137 | Y | 94.2 | Very high | 96.7 | Very high | 27 Ų | 27 | 54 Ų | 54 | 11% | 0.106 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 8.6 | -175.3 | -37.8 | -58.7 | 0 | 0 | 0 | 116 | S87 W88 F180 F203 D206 L207 F245 | S87-Y137 CarbonylContact C-O 3.1Å; S87-Y137 WeakPolarHBondContact CB-O 3.45Å; S87-Y137 PolarHBondContact OG-O 2.75Å; W88-Y137 PolarHBondContact N-O 3Å; Y137-F180 WeakPolarHBondContact OH-CE2 3.48Å; Y137-F203 HydrophobicContact CD2-CD2 4.42Å; Y137-F203 AromaticContact CE2-CD2 3.81Å; Y137-F203 HydrophobicContact CE2-CD2 3.81Å; Y137-F203 HydrophobicContact CE2-CE2 4.42Å; Y137-D206 HydrophobicContact CD2-CB 3.75Å; Y137-D206 HydrophobicContact CE2-CB 3.56Å; Y137-L207 HydrophobicContact CD2-CD1 4.37Å; Y137-L207 HydrophobicContact CD2-CD2 4.3Å; Y137-L207 HydrophobicContact CD2-CG 4.02Å; Y137-F245 AromaticContact CD1-CE2 3.6Å; Y137-F245 HydrophobicContact CD1-CE2 3.6Å; Y137-F245 AromaticContact CD1-CZ 3.68Å; Y137-F245 HydrophobicContact CD1-CZ 3.68Å; Y137-F245 HydrophobicContact CE1-CD2 4.46Å; Y137-F245 AromaticContact CE1-CE2 3.32Å; Y137-F245 HydrophobicContact CE1-CE2 3.32Å; Y137-F245 AromaticContact CE1-CZ 3.65Å; Y137-F245 HydrophobicContact CE1-CZ 3.65Å; Y137-F245 HydrophobicContact CG-CE2 4.35Å; Y137-F245 AromaticContact CZ-CE2 3.87Å |
| 138 | H | 95.5 | Very high | 96.6 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -115.7 | 168.6 | 173.7 | -62.3 | 83.1 | 0 | 0 | 0 | 110.2 | P134 A135 R136 | P134-H138 WeakPolarHBondContact CG-O 3.12Å; A135-H138 HydrophobicContact CB-CB 4.32Å; A135-H138 WeakPolarHBondContact O-CB 3.21Å; A135-H138 PolarHBondContact O-N 2.97Å; A135-H138 VanDerWaalsContact O-N 3.16Å; R136-H138 PolarHBondContact O-N 3.46Å; R136-H138 PolarHBondContact O-ND1 3.4Å |
| 139 | I | 97.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | trans | -113.2 | 144.2 | -179.2 | 47.7 | 157 | 0 | 0 | 0 | 112.4 | W88 | W88-I139 HydrophobicContact CB-CG2 4Å; W88-I139 VanDerWaalsContact O-CD1 3.28Å; W88-I139 WeakPolarHBondContact O-CD1 3.47Å; W88-I139 WeakPolarHBondContact O-CG1 3.34Å; W88-I139 WeakPolarHBondContact O-CG2 3.45Å | ||
| 140 | A | 97.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -85.1 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y97 I132 P134 | Y97-A140 HydrophobicContact CD1-CB 3.94Å; Y97-A140 HydrophobicContact CD2-CB 4.07Å; Y97-A140 WeakPolarHBondContact CD2-O 2.94Å; Y97-A140 HydrophobicContact CE1-CB 4.38Å; Y97-A140 HydrophobicContact CE2-CB 4.46Å; Y97-A140 HydrophobicContact CG-CB 3.79Å; I132-A140 HydrophobicContact CG2-CB 3.99Å; P134-A140 HydrophobicContact CB-CB 4.07Å; P134-A140 HydrophobicContact CG-CB 4.4Å |
| 141 | F | 98.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 31% | 0.311 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -134.9 | 109.2 | 180 | -61 | -66 | 0 | 0 | 0 | 109.5 | F2 L3 L101 I132 | F2-F141 HydrophobicContact CB-CB 4.27Å; L3-F141 HydrophobicContact CD1-CE1 4.48Å; L101-F141 HydrophobicContact CB-CZ 4.01Å; L101-F141 HydrophobicContact CD2-CE2 4.48Å; L101-F141 HydrophobicContact CD2-CZ 3.96Å; I132-F141 HydrophobicContact CB-CE2 4.13Å; I132-F141 HydrophobicContact CG1-CE2 4.2Å; I132-F141 HydrophobicContact CG2-CE2 4.01Å; I132-F141 HydrophobicContact CG2-CZ 4.41Å |
| 142 | G | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -166.8 | -162.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F2 | F2-G142 WeakPolarHBondContact CB-O 3.37Å; F2-G142 VanDerWaalsContact CG-CA 3.48Å |
| 143 | P | 98.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | trans | -50.1 | 145.1 | 176.7 | -28.4 | 36.7 | 0 | 0 | 0 | 113.1 | F2 N13 L16 L54 A89 V90 S91 | F2-P143 HydrophobicContact CE1-CG 4.27Å; N13-P143 WeakPolarHBondContact OD1-CA 3.47Å; L16-P143 HydrophobicContact CD1-CB 4.15Å; L16-P143 HydrophobicContact CD1-CG 4.31Å; L54-P143 HydrophobicContact CD1-CB 3.55Å; L54-P143 HydrophobicContact CD1-CG 3.47Å; L54-P143 VanDerWaalsContact CD1-CG 3.47Å; A89-P143 WeakPolarHBondContact O-CD 3.28Å; A89-P143 WeakPolarHBondContact O-CG 3.44Å; V90-P143 CarbonylContact C-O 3.52Å; V90-P143 WeakPolarHBondContact CA-O 3.22Å; S91-P143 PolarHBondContact N-O 3.32Å | ||
| 144 | V | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | trans | -132.4 | 152.4 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | K11 N13 P94 D146 | K11-V144 WeakPolarHBondContact O-CG2 3.21Å; N13-V144 PolarHBondContact ND2-O 3Å; N13-V144 PolarHBondContact OD1-N 2.72Å; N13-V144 PolarHBondContact OD1-O 3.29Å; P94-V144 HydrophobicContact CB-CG1 3.79Å; P94-V144 HydrophobicContact CG-CG1 3.95Å; V144-D146 HydrophobicContact CG2-CB 4.29Å; V144-D146 PolarHBondContact O-N 3.01Å | ||
| 145 | I | 98.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 39.3 Ų | 39.3 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | trans | -77.4 | 103.2 | 166.9 | -56.2 | 162.9 | 0 | 0 | 0 | 106.3 | V90 F92 I150 D153 | V90-I145 HydrophobicContact CG1-CG1 4.19Å; F92-I145 HydrophobicContact CD1-CD1 4.22Å; F92-I145 HydrophobicContact CE1-CD1 3.71Å; I145-I150 HydrophobicContact CG1-CG2 4.33Å; I145-D153 HydrophobicContact CD1-CB 4.07Å | ||
| 146 | D | 97.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 40 Ų | 40 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | trans | -102.9 | -3.3 | -177.8 | 61.2 | -8.3 | 0 | 0 | 0 | 113.3 | N13 V144 D148 V149 I150 | N13-D146 PolarHBondContact ND2-OD1 2.04Å; N13-D146 PolarHBondContact ND2-OD2 2.68Å; V144-D146 HydrophobicContact CG2-CB 4.29Å; V144-D146 PolarHBondContact O-N 3.01Å; D146-D148 PolarHBondContact O-N 3.36Å; D146-D148 PolarHBondContact OD1-N 2.98Å; D146-D148 VanDerWaalsContact OD1-N 3.15Å; D146-V149 PolarHBondContact OD1-N 2.94Å; D146-V149 WeakPolarHBondContact OD2-CB 3.43Å; D146-V149 WeakPolarHBondContact OD2-CG2 3.22Å; D146-V149 PolarHBondContact OD2-N 2.77Å; D146-I150 PolarHBondContact N-O 3.13Å; D146-I150 PolarHBondContact OD1-N 3.3Å | ||
| 147 | G | 96.9 | Very high | 97 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 59% | 0.588 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 72 | 16.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I150 | G147-I150 PolarHBondContact N-O 3.12Å; G147-I150 VanDerWaalsContact N-O 3.15Å |
| 148 | D | 95.8 | Very high | 97 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -143 | -80.3 | -169.8 | -163.8 | 0.5 | 0 | 0 | 0 | 110 | K11 H59 Y60 D146 | K11-D148 IonicContact NZ-OD2 2.69Å; K11-D148 PolarHBondContact NZ-OD2 2.83Å; H59-D148 PolarHBondContact CE1-O 2.77Å; H59-D148 IonicContact CE1-OD1 2.77Å; H59-D148 PolarHBondContact ND1-O 3.15Å; H59-D148 VanDerWaalsContact ND1-O 3.07Å; Y60-D148 WeakPolarHBondContact CE2-OD1 3.12Å; Y60-D148 PolarHBondContact OH-OD1 2.95Å; Y60-D148 VanDerWaalsContact OH-OD1 3.09Å; D146-D148 PolarHBondContact O-N 3.36Å; D146-D148 PolarHBondContact OD1-N 2.98Å; D146-D148 VanDerWaalsContact OD1-N 3.15Å |
| 149 | V | 96.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -67 | -42.8 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | N13 L16 L17 I20 S58 Y60 D146 | N13-V149 HydrophobicContact CB-CB 4.08Å; N13-V149 HydrophobicContact CB-CG1 4.2Å; N13-V149 HydrophobicContact CB-CG2 4.22Å; L16-V149 HydrophobicContact CB-CG1 4.36Å; L16-V149 HydrophobicContact CD1-CG1 4.45Å; L17-V149 HydrophobicContact CD1-CG2 4.25Å; L17-V149 HydrophobicContact CD2-CG2 3.77Å; L17-V149 HydrophobicContact CG-CG2 4.04Å; I20-V149 HydrophobicContact CD1-CG1 4.23Å; S58-V149 VanDerWaalsContact CB-O 3.24Å; S58-V149 WeakPolarHBondContact CB-O 3.34Å; S58-V149 PolarHBondContact OG-O 3.27Å; Y60-V149 HydrophobicContact CD2-CB 4.45Å; Y60-V149 HydrophobicContact CD2-CG2 4.2Å; Y60-V149 HydrophobicContact CE2-CG2 4Å; D146-V149 PolarHBondContact OD1-N 2.94Å; D146-V149 WeakPolarHBondContact OD2-CB 3.43Å; D146-V149 WeakPolarHBondContact OD2-CG2 3.22Å; D146-V149 PolarHBondContact OD2-N 2.77Å |
| 150 | I | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -119 | 100.7 | 171.9 | -55.9 | -59.8 | 0 | 0 | 0 | 106.6 | L16 L54 I145 D146 G147 D152 | L16-I150 HydrophobicContact CD1-CD1 4.14Å; L16-I150 HydrophobicContact CD1-CG1 4.18Å; L54-I150 HydrophobicContact CB-CD1 3.98Å; L54-I150 HydrophobicContact CD2-CD1 3.87Å; L54-I150 HydrophobicContact CD2-CG1 4.42Å; L54-I150 HydrophobicContact CG-CD1 4.49Å; I145-I150 HydrophobicContact CG1-CG2 4.33Å; D146-I150 PolarHBondContact N-O 3.13Å; D146-I150 PolarHBondContact OD1-N 3.3Å; G147-I150 PolarHBondContact N-O 3.12Å; G147-I150 VanDerWaalsContact N-O 3.15Å; I150-D152 WeakPolarHBondContact CG2-O 3.41Å; I150-D152 PolarHBondContact O-N 2.98Å |
| 151 | P | 95.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | trans | -66.3 | -36.9 | -168.9 | -25.6 | 35.3 | 0 | 0 | 0 | 115.1 | L157 | P151-L157 HydrophobicContact CB-CD2 4.4Š| ||
| 152 | D | 97.7 | Very high | 95.5 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -150.4 | -175.5 | -177.8 | -151.9 | -19.1 | 0 | 0 | 0 | 109.8 | I150 L157 | I150-D152 WeakPolarHBondContact CG2-O 3.41Å; I150-D152 PolarHBondContact O-N 2.98Å; D152-L157 HydrophobicContact CB-CD2 3.97Å; D152-L157 HydrophobicContact CB-CG 4.22Å; D152-L157 WeakPolarHBondContact O-CD1 3.47Å |
| 153 | D | 97.6 | Very high | 94.5 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | trans | -55.9 | 130.4 | 174 | -166.4 | -62.2 | 0 | 0 | 0 | 111.4 | F92 I145 Q155 I156 L157 | F92-D153 WeakPolarHBondContact CE1-OD2 3.28Å; I145-D153 HydrophobicContact CD1-CB 4.07Å; D153-Q155 PolarHBondContact O-N 3.14Å; D153-Q155 VanDerWaalsContact O-N 3.09Å; D153-Q155 VanDerWaalsContact OD1-CB 3.31Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.29Å; D153-Q155 PolarHBondContact OD1-N 3Å; D153-I156 HydrophobicContact CB-CB 4.35Å; D153-I156 HydrophobicContact CB-CD1 3.94Å; D153-I156 HydrophobicContact CB-CG1 4.05Å; D153-I156 WeakPolarHBondContact O-CA 3.3Å; D153-I156 WeakPolarHBondContact O-CB 3.48Å; D153-I156 PolarHBondContact O-N 3.29Å; D153-L157 PolarHBondContact O-N 2.93Å | ||
| 154 | P | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.3 | -29.6 | 177.6 | -29.5 | 37.2 | 0 | 0 | 0 | 115.3 | L54 L57 A84 L85 V90 M158 | L54-P154 HydrophobicContact CD2-CG 3.82Å; L57-P154 HydrophobicContact CD1-CB 3.83Å; A84-P154 HydrophobicContact CB-CB 3.69Å; A84-P154 HydrophobicContact CB-CG 4.14Å; L85-P154 HydrophobicContact CD2-CB 4.05Å; V90-P154 HydrophobicContact CG2-CG 3.97Å; P154-M158 WeakPolarHBondContact O-CB 3.47Å; P154-M158 VanDerWaalsContact O-CG 3.31Å; P154-M158 WeakPolarHBondContact O-CG 3.42Å; P154-M158 PolarHBondContact O-N 2.96Å |
| 155 | Q | 95.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -49.1 | 172.9 | -177.6 | 68 | 25.9 | 0 | 0 | 110.6 | L85 D153 L157 M158 E159 | L85-Q155 HydrophobicContact CD2-CB 4.12Å; D153-Q155 PolarHBondContact O-N 3.14Å; D153-Q155 VanDerWaalsContact O-N 3.09Å; D153-Q155 VanDerWaalsContact OD1-CB 3.31Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.29Å; D153-Q155 PolarHBondContact OD1-N 3Å; Q155-L157 PolarHBondContact O-N 2.85Å; Q155-M158 PolarHBondContact O-N 3.25Å; Q155-E159 PolarHBondContact NE2-OE1 3.07Å; Q155-E159 WeakPolarHBondContact O-CB 3.4Å; Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 2.66Å |
| 156 | I | 96.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 30% | 0.303 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 179.5 | -63.8 | 175.5 | 0 | 0 | 0 | 110.4 | D153 M158 E159 Q160 | D153-I156 HydrophobicContact CB-CB 4.35Å; D153-I156 HydrophobicContact CB-CD1 3.94Å; D153-I156 HydrophobicContact CB-CG1 4.05Å; D153-I156 WeakPolarHBondContact O-CA 3.3Å; D153-I156 WeakPolarHBondContact O-CB 3.48Å; D153-I156 PolarHBondContact O-N 3.29Å; I156-M158 PolarHBondContact O-N 3.28Å; I156-E159 PolarHBondContact O-N 2.94Å; I156-Q160 HydrophobicContact CG2-CG 4.47Å; I156-Q160 WeakPolarHBondContact O-CB 3.25Å; I156-Q160 VanDerWaalsContact O-CG 3.3Å; I156-Q160 WeakPolarHBondContact O-CG 3.29Å; I156-Q160 PolarHBondContact O-N 3.15Å |
| 157 | L | 95.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 178.4 | -62.5 | 175.8 | 0 | 0 | 0 | 112 | L57 P151 D152 D153 Q155 G161 E162 | L57-L157 HydrophobicContact CB-CD1 4.13Å; L57-L157 HydrophobicContact CD2-CB 3.87Å; P151-L157 HydrophobicContact CB-CD2 4.4Å; D152-L157 HydrophobicContact CB-CD2 3.97Å; D152-L157 HydrophobicContact CB-CG 4.22Å; D152-L157 WeakPolarHBondContact O-CD1 3.47Å; D153-L157 PolarHBondContact O-N 2.93Å; Q155-L157 PolarHBondContact O-N 2.85Å; L157-G161 PolarHBondContact O-N 2.75Å; L157-E162 HydrophobicContact CB-CB 4.39Å; L157-E162 HydrophobicContact CD2-CB 4.13Å; L157-E162 PolarHBondContact O-N 3.1Å |
| 158 | M | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.6 | -36.7 | 176 | -71.5 | -170.2 | -175.9 | 0 | 0 | 112.9 | N53 L57 A84 L85 P154 Q155 I156 G161 T257 L260 F264 | N53-M158 HydrophobicContact CB-CE 4.45Å; L57-M158 HydrophobicContact CD1-CE 3.93Å; L57-M158 HydrophobicContact CD1-CG 4.26Å; L57-M158 HydrophobicContact CD2-CG 3.8Å; A84-M158 HydrophobicContact CB-CE 4.28Å; L85-M158 HydrophobicContact CD1-SD 3.9Å; L85-M158 HydrophobicContact CD2-SD 4.07Å; L85-M158 HydrophobicContact CG-CE 4.49Å; L85-M158 HydrophobicContact CG-SD 4.09Å; P154-M158 WeakPolarHBondContact O-CB 3.47Å; P154-M158 VanDerWaalsContact O-CG 3.31Å; P154-M158 WeakPolarHBondContact O-CG 3.42Å; P154-M158 PolarHBondContact O-N 2.96Å; Q155-M158 PolarHBondContact O-N 3.25Å; I156-M158 PolarHBondContact O-N 3.28Å; M158-G161 PolarHBondContact O-N 3.07Å; M158-T257 HydrophobicContact CE-CG2 3.92Å; M158-T257 HydrophobicContact SD-CG2 4.13Å; M158-L260 HydrophobicContact CB-CB 4.36Å; M158-L260 HydrophobicContact CB-CD1 3.64Å; M158-L260 HydrophobicContact SD-CD1 4.49Å; M158-F264 WeakPolarHBondContact O-CE2 3.48Å |
| 159 | E | 93.7 | Very high | 92.5 | Very high | 111 Ų | 111 | 43 Ų | 43 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.7 | -32.5 | 176 | -77.5 | 177.3 | -171.6 | 0 | 0 | 113.3 | Q155 I156 L260 | Q155-E159 PolarHBondContact NE2-OE1 3.07Å; Q155-E159 WeakPolarHBondContact O-CB 3.4Å; Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 2.66Å; I156-E159 PolarHBondContact O-N 2.94Å; E159-L260 HydrophobicContact CG-CD1 4.48Å; E159-L260 HydrophobicContact CG-CD2 4.23Å |
| 160 | Q | 92.4 | Very high | 92.6 | Very high | 114 Ų | 114 | 43 Ų | 43 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -81.3 | -17.7 | 176.8 | -69.1 | 175.8 | 12.1 | 0 | 0 | 113.2 | I156 E162 | I156-Q160 HydrophobicContact CG2-CG 4.47Å; I156-Q160 WeakPolarHBondContact O-CB 3.25Å; I156-Q160 VanDerWaalsContact O-CG 3.3Å; I156-Q160 WeakPolarHBondContact O-CG 3.29Å; I156-Q160 PolarHBondContact O-N 3.15Å; Q160-E162 HydrophobicContact CB-CG 3.91Å |
| 161 | G | 87.2 | Confident | 92.7 | Very high | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 21.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L157 M158 F163 F264 | L157-G161 PolarHBondContact O-N 2.75Å; M158-G161 PolarHBondContact O-N 3.07Å; G161-F163 PolarHBondContact O-N 3.25Å; G161-F264 VanDerWaalsContact CA-CZ 3.42Å |
| 162 | E | 83.4 | Confident | 92.8 | Very high | 119 Ų | 119 | 40.4 Ų | 40.4 | 56% | 0.556 | 21% | 0.205 | S | C | * | . | trans | -78.3 | 52.6 | 179.9 | -65.2 | -65.1 | 150.8 | 0 | 0 | 111.4 | L157 Q160 | L157-E162 HydrophobicContact CB-CB 4.39Å; L157-E162 HydrophobicContact CD2-CB 4.13Å; L157-E162 PolarHBondContact O-N 3.1Å; Q160-E162 HydrophobicContact CB-CG 3.91Å | ||
| 163 | F | 78.2 | Confident | 92.9 | Very high | 26 Ų | 26 | 37 Ų | 37 | 11% | 0.114 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -134.2 | 145.1 | 169.2 | 52.9 | -91.3 | 0 | 0 | 0 | 109.1 | L57 G161 H261 F264 | L57-F163 HydrophobicContact CD2-CB 4.06Å; L57-F163 HydrophobicContact CD2-CD1 4.34Å; G161-F163 PolarHBondContact O-N 3.25Å; F163-H261 AromaticContact CD2-CD2 3.75Å; F163-H261 AromaticContact CE2-CD2 3.35Å; F163-H261 WeakPolarHBondContact CE2-CD2 3.32Å; F163-F264 AromaticContact CE1-CD2 3.91Å; F163-F264 HydrophobicContact CE1-CD2 3.91Å; F163-F264 HydrophobicContact CE1-CE2 4.34Å; F163-F264 HydrophobicContact CE2-CB 4.36Å; F163-F264 HydrophobicContact CZ-CB 3.91Å; F163-F264 AromaticContact CZ-CD2 3.6Å; F163-F264 HydrophobicContact CZ-CD2 3.6Å; F163-F264 HydrophobicContact CZ-CE2 4.46Å; F163-F264 AromaticContact CZ-CG 3.98Å; F163-F264 HydrophobicContact CZ-CG 3.98Å |
| 164 | L | 74.4 | Confident | 92.9 | Very high | 42 Ų | 42 | 37 Ų | 37 | 22% | 0.22 | 19% | 0.185 | C | C | . | . | trans | -65.2 | 151.5 | 171.6 | -52.6 | -178.1 | 0 | 0 | 0 | 110 | E62 Y166 | E62-L164 HydrophobicContact CG-CD1 4.04Å; E62-L164 HydrophobicContact CG-CD2 4.03Å; E62-L164 HydrophobicContact CG-CG 4.32Å; L164-Y166 HydrophobicContact CB-CD2 4.09Å; L164-Y166 HydrophobicContact CB-CE1 4.28Å; L164-Y166 HydrophobicContact CB-CE2 3.58Å; L164-Y166 HydrophobicContact CD1-CE1 4.37Å; L164-Y166 WeakPolarHBondContact CD1-OH 3.37Å; L164-Y166 HydrophobicContact CG-CE2 4.22Å; L164-Y166 WeakPolarHBondContact O-CD2 3.33Å; L164-Y166 PolarHBondContact O-N 2.82Å | ||
| 165 | N | 82.8 | Confident | 92.9 | Very high | 113 Ų | 113 | 37 Ų | 37 | 60% | 0.604 | 19% | 0.186 | S | C | * | . | trans | -72.1 | 77.7 | 177.5 | -169.3 | -8.3 | 0 | 0 | 0 | 111.1 | S266 | N165-S266 VanDerWaalsContact CG-OG 3.29Å; N165-S266 WeakPolarHBondContact OD1-CA 3.45Å; N165-S266 VanDerWaalsContact OD1-CB 3.23Å; N165-S266 WeakPolarHBondContact OD1-CB 3.33Å; N165-S266 PolarHBondContact OD1-OG 3.01Å | ||
| 166 | Y | 92.3 | Very high | 93 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | trans | -82.3 | 155.2 | 173.9 | -57.8 | -78 | 0 | 0 | 0 | 110.6 | T56 F74 L164 H261 | T56-Y166 HydrophobicContact CG2-CD2 3.51Å; T56-Y166 HydrophobicContact CG2-CE2 3.58Å; T56-Y166 HydrophobicContact CG2-CG 4.17Å; F74-Y166 AromaticContact CD2-CD1 3.94Å; F74-Y166 HydrophobicContact CD2-CD1 3.94Å; F74-Y166 AromaticContact CD2-CE1 3.74Å; F74-Y166 HydrophobicContact CD2-CE1 3.74Å; F74-Y166 HydrophobicContact CE1-CE1 4.34Å; F74-Y166 AromaticContact CE2-CD1 3.77Å; F74-Y166 HydrophobicContact CE2-CD1 3.77Å; F74-Y166 AromaticContact CE2-CE1 3.48Å; F74-Y166 HydrophobicContact CE2-CE1 3.48Å; F74-Y166 VanDerWaalsContact CE2-CE1 3.48Å; F74-Y166 HydrophobicContact CE2-CE2 4.47Å; F74-Y166 HydrophobicContact CE2-CG 4.37Å; F74-Y166 AromaticContact CE2-CZ 3.88Å; F74-Y166 HydrophobicContact CG-CE1 4.28Å; F74-Y166 AromaticContact CZ-CE1 3.82Å; F74-Y166 HydrophobicContact CZ-CE1 3.82Å; F74-Y166 HydrophobicContact CZ-CE2 4.46Å; F74-Y166 AromaticContact CZ-CZ 3.79Å; F74-Y166 WeakPolarHBondContact O-CE1 3.43Å; L164-Y166 HydrophobicContact CB-CD2 4.09Å; L164-Y166 HydrophobicContact CB-CE1 4.28Å; L164-Y166 HydrophobicContact CB-CE2 3.58Å; L164-Y166 HydrophobicContact CD1-CE1 4.37Å; L164-Y166 WeakPolarHBondContact CD1-OH 3.37Å; L164-Y166 HydrophobicContact CG-CE2 4.22Å; L164-Y166 WeakPolarHBondContact O-CD2 3.33Å; L164-Y166 PolarHBondContact O-N 2.82Å; Y166-H261 PolarHBondContact O-CE1 3.41Å; Y166-H261 VanDerWaalsContact O-CE1 3.23Å; Y166-H261 PolarHBondContact O-NE2 3Å | ||
| 167 | D | 96.9 | Very high | 92.9 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 130.2 | 158.2 | -53 | -50.6 | 0 | 0 | 0 | 107.7 | Q75 R76 A77 P267 F331 G335 | Q75-D167 PolarHBondContact O-N 2.85Å; R76-D167 CarbonylContact C-O 3.56Å; R76-D167 WeakPolarHBondContact CA-O 3.19Å; R76-D167 HydrophobicContact CB-CB 4.23Å; R76-D167 WeakPolarHBondContact CD-OD2 3.45Å; R76-D167 HydrophobicContact CG-CB 3.87Å; R76-D167 IonicContact CZ-OD2 3.12Å; R76-D167 IonicContact NE-OD2 2.66Å; R76-D167 PolarHBondContact NE-OD2 3.04Å; R76-D167 IonicContact NH2-OD2 2.99Å; A77-D167 PolarHBondContact N-O 3.39Å; D167-P267 VanDerWaalsContact OD1-CG 3.31Å; D167-P267 WeakPolarHBondContact OD1-CG 3.32Å; D167-F331 HydrophobicContact CB-CE2 3.82Å; D167-F331 HydrophobicContact CB-CZ 3.7Å; D167-F331 WeakPolarHBondContact O-CZ 3.24Å; D167-G335 VanDerWaalsContact OD2-CA 3.24Å; D167-G335 WeakPolarHBondContact OD2-CA 3.31Å |
| 168 | I | 98.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.8 | 176.5 | -57.9 | -168.7 | 0 | 0 | 0 | 112.5 | T56 A77 L170 H261 P267 T268 Y269 | T56-I168 HydrophobicContact CG2-CD1 4.45Å; A77-I168 HydrophobicContact CB-CD1 4.43Å; A77-I168 HydrophobicContact CB-CG1 4.13Å; A77-I168 WeakPolarHBondContact O-CA 3.49Å; I168-L170 HydrophobicContact CG2-CB 4.48Å; I168-L170 HydrophobicContact CG2-CD2 3.89Å; I168-H261 VanDerWaalsContact CD1-CD2 3.47Å; I168-H261 WeakPolarHBondContact CD1-CD2 3.42Å; I168-H261 VanDerWaalsContact CD1-NE2 3.3Å; I168-H261 WeakPolarHBondContact CD1-NE2 3.08Å; I168-H261 WeakPolarHBondContact CG1-CE1 3.4Å; I168-H261 WeakPolarHBondContact CG1-NE2 3.14Å; I168-P267 PolarHBondContact N-O 2.91Å; I168-T268 CarbonylContact O-C 3.53Å; I168-T268 VanDerWaalsContact O-CA 3.31Å; I168-T268 WeakPolarHBondContact O-CA 3.14Å; I168-Y269 PolarHBondContact O-N 3.32Å |
| 169 | M | 98.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.4 | 162.3 | 178.1 | -171 | -68.1 | 0 | 0 | 108.7 | A77 I78 A79 Y269 Y271 W328 F331 P337 W360 | A77-M169 PolarHBondContact O-N 2.92Å; I78-M169 CarbonylContact C-O 3.58Å; I78-M169 VanDerWaalsContact CA-O 3.22Å; I78-M169 WeakPolarHBondContact CA-O 3.45Å; I78-M169 HydrophobicContact CB-CB 4.47Å; I78-M169 HydrophobicContact CD1-SD 4.33Å; I78-M169 HydrophobicContact CG1-CB 4.21Å; I78-M169 HydrophobicContact CG2-CB 4.05Å; I78-M169 HydrophobicContact CG2-CG 4.03Å; I78-M169 HydrophobicContact CG2-SD 3.88Å; A79-M169 PolarHBondContact N-O 3.47Å; M169-Y269 CarbonylContact C-O 3.58Å; M169-Y269 WeakPolarHBondContact CA-O 3.29Å; M169-Y271 HydrophobicContact CG-CD1 4.46Å; M169-W328 HydrophobicContact SD-CD2 4Å; M169-W328 HydrophobicContact SD-CE3 3.95Å; M169-W328 HydrophobicContact SD-CH2 4.21Å; M169-W328 HydrophobicContact SD-CZ2 4.25Å; M169-W328 HydrophobicContact SD-CZ3 4.06Å; M169-F331 HydrophobicContact CB-CD1 4.2Å; M169-F331 HydrophobicContact CB-CD2 4.5Å; M169-F331 HydrophobicContact CB-CE1 3.92Å; M169-F331 HydrophobicContact CB-CE2 4.24Å; M169-F331 HydrophobicContact CB-CG 4.47Å; M169-F331 HydrophobicContact CB-CZ 3.93Å; M169-F331 HydrophobicContact CE-CB 3.61Å; M169-F331 HydrophobicContact CE-CD1 4.22Å; M169-F331 HydrophobicContact CE-CD2 4.1Å; M169-F331 HydrophobicContact CE-CG 3.72Å; M169-P337 HydrophobicContact CE-CB 3.78Å; M169-P337 HydrophobicContact CE-CG 4.31Å; M169-W360 HydrophobicContact CE-CE3 4.37Å; M169-W360 HydrophobicContact CE-CH2 3.63Å; M169-W360 HydrophobicContact CE-CZ2 4.41Å; M169-W360 HydrophobicContact CE-CZ3 3.62Å; M169-W360 HydrophobicContact CG-CH2 3.72Å; M169-W360 HydrophobicContact CG-CZ2 4.04Å; M169-W360 HydrophobicContact SD-CH2 3.48Å; M169-W360 WeakPolarHBondContact SD-CH2 3.36Å; M169-W360 HydrophobicContact SD-CZ2 4.37Å; M169-W360 HydrophobicContact SD-CZ3 3.94Å |
| 170 | L | 98.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163.6 | 175.5 | 68.9 | 160.6 | 0 | 0 | 0 | 111.9 | A79 I168 A254 T257 A258 T268 Y269 F270 Y271 | A79-L170 HydrophobicContact CB-CB 4.11Å; A79-L170 VanDerWaalsContact O-CA 3.28Å; A79-L170 WeakPolarHBondContact O-CA 3.3Å; A79-L170 WeakPolarHBondContact O-CB 3.31Å; I168-L170 HydrophobicContact CG2-CB 4.48Å; I168-L170 HydrophobicContact CG2-CD2 3.89Å; L170-A254 HydrophobicContact CD1-CB 4.41Å; L170-A254 VanDerWaalsContact CD1-O 3.27Å; L170-A254 WeakPolarHBondContact CD1-O 3.16Å; L170-T257 HydrophobicContact CD1-CG2 4Å; L170-A258 HydrophobicContact CD1-CB 4.17Å; L170-A258 HydrophobicContact CD2-CB 4.05Å; L170-A258 HydrophobicContact CG-CB 4.45Å; L170-T268 HydrophobicContact CD2-CG2 3.77Å; L170-Y269 PolarHBondContact N-O 2.97Å; L170-F270 HydrophobicContact CD1-CD2 4.45Å; L170-F270 HydrophobicContact CD1-CE2 4.31Å; L170-F270 HydrophobicContact CD2-CD2 4.39Å; L170-F270 HydrophobicContact CG-CD2 3.95Å; L170-F270 HydrophobicContact CG-CE2 4.19Å; L170-F270 CarbonylContact O-C 3.39Å; L170-F270 VanDerWaalsContact O-CA 3.25Å; L170-F270 WeakPolarHBondContact O-CA 3.35Å; L170-Y271 VanDerWaalsContact O-CD1 3.29Å; L170-Y271 WeakPolarHBondContact O-CD1 3.16Å; L170-Y271 PolarHBondContact O-N 3.13Å |
| 171 | G | 98.8 | Very high | 92 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -179.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A79 S81 Y271 | A79-G171 PolarHBondContact O-N 3.21Å; S81-G171 PolarHBondContact N-O 3.07Å; G171-Y271 WeakPolarHBondContact CA-O 3.25Å |
| 172 | V | 98.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158 | -171.9 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | E176 W250 V251 A254 F270 Y271 A272 F273 Y383 | V172-E176 WeakPolarHBondContact CA-OE1 3.45Å; V172-W250 HydrophobicContact CG1-CB 4.01Å; V172-V251 HydrophobicContact CG2-CG2 4.2Å; V172-A254 HydrophobicContact CG1-CB 3.79Å; V172-F270 HydrophobicContact CG2-CE1 4.48Å; V172-F270 HydrophobicContact CG2-CZ 4.47Å; V172-Y271 PolarHBondContact N-O 3.45Å; V172-A272 CarbonylContact O-C 3.57Å; V172-A272 VanDerWaalsContact O-CA 3.29Å; V172-A272 WeakPolarHBondContact O-CA 3.42Å; V172-F273 PolarHBondContact O-N 3.32Å; V172-Y383 HydrophobicContact CG2-CD1 4.34Å; V172-Y383 HydrophobicContact CG2-CE1 3.57Å |
| 173 | N | 98.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 158.9 | 175.6 | -58.4 | -12.5 | 0 | 0 | 0 | 109.9 | G175 E176 F273 A288 A289 E293 | N173-G175 VanDerWaalsContact C-N 3.27Å; N173-G175 PolarHBondContact O-N 3.01Å; N173-E176 HydrophobicContact CB-CG 4.38Å; N173-E176 PolarHBondContact N-OE1 3.09Å; N173-F273 CarbonylContact C-O 3.56Å; N173-F273 HydrophobicContact CB-CB 4.45Å; N173-F273 VanDerWaalsContact OD1-CB 3.22Å; N173-F273 WeakPolarHBondContact OD1-CB 3.48Å; N173-A288 HydrophobicContact CB-CB 4.37Å; N173-A289 PolarHBondContact ND2-O 3.38Å; N173-E293 PolarHBondContact ND2-OE2 2.88Å |
| 174 | Q | 98.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 33.7 Ų | 33.7 | 20% | 0.201 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -34.6 | -175.2 | 178.2 | -178.3 | -11.4 | 0 | 0 | 113.3 | F273 Y274 D287 | Q174-F273 PolarHBondContact N-O 3.17Å; Q174-Y274 HydrophobicContact CB-CD1 4.03Å; Q174-Y274 HydrophobicContact CB-CD2 4.23Å; Q174-Y274 HydrophobicContact CB-CE1 4.07Å; Q174-Y274 HydrophobicContact CB-CE2 4.25Å; Q174-Y274 HydrophobicContact CB-CG 4.11Å; Q174-Y274 HydrophobicContact CG-CD1 3.8Å; Q174-Y274 HydrophobicContact CG-CE1 3.53Å; Q174-Y274 HydrophobicContact CG-CE2 4.47Å; Q174-Y274 HydrophobicContact CG-CG 4.4Å; Q174-D287 HydrophobicContact CB-CB 4.17Å; Q174-D287 VanDerWaalsContact CD-CB 3.49Å; Q174-D287 HydrophobicContact CG-CB 3.8Å; Q174-D287 PolarHBondContact NE2-OD1 2.84Å; Q174-D287 PolarHBondContact NE2-OD2 2.66Å; Q174-D287 VanDerWaalsContact NE2-OD2 3.07Å |
| 175 | G | 97.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 42.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N173 G177 L178 A288 | N173-G175 VanDerWaalsContact C-N 3.27Å; N173-G175 PolarHBondContact O-N 3.01Å; G175-G177 PolarHBondContact O-N 3.1Å; G175-L178 PolarHBondContact O-N 3.04Å; G175-L178 VanDerWaalsContact O-N 3.17Å; G175-A288 CarbonylContact C-O 3.5Å; G175-A288 WeakPolarHBondContact CA-O 3.29Å; G175-A288 PolarHBondContact N-O 2.83Å |
| 176 | E | 97.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -38.9 | -45 | 177.3 | -56.9 | -81.8 | -172.9 | 0 | 0 | 113.2 | S81 V172 N173 L178 T246 W250 H290 | S81-E176 WeakPolarHBondContact CB-OE1 3.48Å; S81-E176 PolarHBondContact OG-OE1 2.73Å; V172-E176 WeakPolarHBondContact CA-OE1 3.45Å; N173-E176 HydrophobicContact CB-CG 4.38Å; N173-E176 PolarHBondContact N-OE1 3.09Å; E176-L178 PolarHBondContact O-N 2.89Å; E176-T246 HydrophobicContact CB-CG2 3.93Å; E176-T246 HydrophobicContact CG-CG2 3.9Å; E176-W250 HydrophobicContact CB-CD2 3.46Å; E176-W250 VanDerWaalsContact CB-CD2 3.46Å; E176-W250 HydrophobicContact CB-CE3 3.35Å; E176-W250 HydrophobicContact CB-CG 4.05Å; E176-W250 HydrophobicContact CB-CH2 3.87Å; E176-W250 HydrophobicContact CB-CZ2 4.01Å; E176-W250 HydrophobicContact CB-CZ3 3.56Å; E176-W250 HydrophobicContact CG-CB 4Å; E176-W250 HydrophobicContact CG-CD2 3.77Å; E176-W250 HydrophobicContact CG-CE3 4.05Å; E176-W250 HydrophobicContact CG-CG 3.78Å; E176-H290 VanDerWaalsContact OE2-CA 3.28Å; E176-H290 WeakPolarHBondContact OE2-CA 3.42Å; E176-H290 WeakPolarHBondContact OE2-CB 3.48Å; E176-H290 IonicContact OE2-CE1 2.68Å; E176-H290 IonicContact OE2-CG 3.92Å; E176-H290 IonicContact OE2-ND1 2.65Å; E176-H290 PolarHBondContact OE2-ND1 3.5Å |
| 177 | G | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 18.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117 | G175 K179 F180 T246 | G175-G177 PolarHBondContact O-N 3.1Å; G177-K179 VanDerWaalsContact C-N 3.29Å; G177-K179 PolarHBondContact O-N 3.37Å; G177-F180 WeakPolarHBondContact O-CB 3.39Å; G177-F180 PolarHBondContact O-N 3.31Å; G177-T246 PolarHBondContact N-OG1 2.76Å |
| 178 | L | 94.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -48.6 | -48.4 | -179.8 | 177.3 | 60.3 | 0 | 0 | 0 | 112.9 | G175 E176 F180 V181 E182 L242 V282 W285 A286 A289 | G175-L178 PolarHBondContact O-N 3.04Å; G175-L178 VanDerWaalsContact O-N 3.17Å; E176-L178 PolarHBondContact O-N 2.89Å; L178-F180 PolarHBondContact O-N 2.88Å; L178-V181 WeakPolarHBondContact O-CG2 3.47Å; L178-V181 PolarHBondContact O-N 3.38Å; L178-E182 PolarHBondContact O-N 2.72Å; L178-E182 VanDerWaalsContact O-N 3.08Å; L178-L242 HydrophobicContact CD1-CD1 4.32Å; L178-V282 HydrophobicContact CD2-CG1 4.31Å; L178-W285 HydrophobicContact CD1-CH2 3.48Å; L178-W285 VanDerWaalsContact CD1-CH2 3.48Å; L178-W285 HydrophobicContact CD1-CZ3 3.51Å; L178-A286 HydrophobicContact CD1-CB 3.8Å; L178-A286 HydrophobicContact CD2-CB 4.07Å; L178-A289 HydrophobicContact CB-CB 3.92Å; L178-A289 HydrophobicContact CD2-CB 3.73Å; L178-A289 HydrophobicContact CG-CB 4.48Å |
| 179 | K | 89.7 | Confident | 91.8 | Very high | 141 Ų | 141 | 45.4 Ų | 45.4 | 61% | 0.613 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.9 | -14.6 | -178.2 | -64.8 | -55.4 | -170.3 | -175.1 | 0 | 114.7 | G177 E182 | G177-K179 VanDerWaalsContact C-N 3.29Å; G177-K179 PolarHBondContact O-N 3.37Å; K179-E182 WeakPolarHBondContact CD-OE2 3.29Å; K179-E182 WeakPolarHBondContact CE-OE2 3.36Å; K179-E182 IonicContact NZ-OE1 3.19Å; K179-E182 PolarHBondContact NZ-OE1 3.38Å; K179-E182 IonicContact NZ-OE2 2.77Å; K179-E182 PolarHBondContact NZ-OE2 3Å |
| 180 | F | 87.6 | Confident | 91.5 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.4 | -33.5 | 173.9 | 172.4 | -110.2 | 0 | 0 | 0 | 112.2 | Y137 G177 L178 A199 F203 L241 F245 | Y137-F180 WeakPolarHBondContact OH-CE2 3.48Å; G177-F180 WeakPolarHBondContact O-CB 3.39Å; G177-F180 PolarHBondContact O-N 3.31Å; L178-F180 PolarHBondContact O-N 2.88Å; F180-A199 HydrophobicContact CZ-CB 4.3Å; F180-F203 HydrophobicContact CE2-CD2 4.37Å; F180-F203 HydrophobicContact CZ-CB 4.28Å; F180-F203 HydrophobicContact CZ-CD2 4.39Å; F180-L241 HydrophobicContact CD1-CG 4.4Å; F180-L241 HydrophobicContact CE1-CD1 3.7Å; F180-L241 HydrophobicContact CE1-CG 3.77Å; F180-L241 HydrophobicContact CZ-CD1 4.28Å; F180-F245 HydrophobicContact CB-CB 4.02Å; F180-F245 HydrophobicContact CB-CD1 3.48Å; F180-F245 VanDerWaalsContact CB-CD1 3.48Å; F180-F245 HydrophobicContact CB-CD2 4.07Å; F180-F245 HydrophobicContact CB-CE1 3.93Å; F180-F245 HydrophobicContact CB-CE2 4.47Å; F180-F245 HydrophobicContact CB-CG 3.58Å; F180-F245 HydrophobicContact CB-CZ 4.4Å; F180-F245 HydrophobicContact CD1-CB 3.37Å; F180-F245 HydrophobicContact CD1-CD1 4.45Å; F180-F245 AromaticContact CD1-CD2 3.96Å; F180-F245 HydrophobicContact CD1-CD2 3.96Å; F180-F245 AromaticContact CD1-CG 3.69Å; F180-F245 HydrophobicContact CD1-CG 3.69Å; F180-F245 HydrophobicContact CD2-CB 4.5Å; F180-F245 HydrophobicContact CD2-CD1 4.5Å; F180-F245 AromaticContact CD2-CD2 3.55Å; F180-F245 HydrophobicContact CD2-CD2 3.55Å; F180-F245 AromaticContact CD2-CE2 3.82Å; F180-F245 HydrophobicContact CD2-CE2 3.82Å; F180-F245 AromaticContact CD2-CG 3.94Å; F180-F245 HydrophobicContact CD2-CG 3.94Å; F180-F245 HydrophobicContact CD2-CZ 4.4Å; F180-F245 HydrophobicContact CE1-CB 3.86Å; F180-F245 HydrophobicContact CE1-CD2 4.23Å; F180-F245 HydrophobicContact CE1-CG 4.3Å; F180-F245 AromaticContact CE2-CD2 3.89Å; F180-F245 HydrophobicContact CE2-CD2 3.89Å; F180-F245 HydrophobicContact CE2-CE2 4.28Å; F180-F245 HydrophobicContact CG-CB 3.73Å; F180-F245 AromaticContact CG-CD1 3.94Å; F180-F245 HydrophobicContact CG-CD1 3.94Å; F180-F245 AromaticContact CG-CD2 3.59Å; F180-F245 HydrophobicContact CG-CD2 3.59Å; F180-F245 HydrophobicContact CG-CE1 4.48Å; F180-F245 HydrophobicContact CG-CE2 4.19Å; F180-F245 AromaticContact CG-CG 3.47Å; F180-F245 HydrophobicContact CG-CG 3.47Å; F180-F245 VanDerWaalsContact CG-CG 3.47Å; F180-F245 HydrophobicContact CZ-CD2 4.2Å |
| 181 | V | 86.7 | Confident | 91.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -98.3 | -22.6 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 114.1 | L178 L183 I184 V185 R238 L241 L242 W285 | L178-V181 WeakPolarHBondContact O-CG2 3.47Å; L178-V181 PolarHBondContact O-N 3.38Å; V181-L183 PolarHBondContact O-N 3.43Å; V181-I184 HydrophobicContact CB-CG1 4.47Å; V181-I184 WeakPolarHBondContact O-CG1 3.44Å; V181-I184 PolarHBondContact O-N 3.28Å; V181-V185 HydrophobicContact CB-CG2 4.41Å; V181-V185 WeakPolarHBondContact O-CG2 3.32Å; V181-V185 PolarHBondContact O-N 3.39Å; V181-R238 HydrophobicContact CG2-CG 4.35Å; V181-L241 HydrophobicContact CG1-CB 4.03Å; V181-L241 HydrophobicContact CG1-CD2 4.06Å; V181-L241 HydrophobicContact CG1-CG 3.85Å; V181-L242 HydrophobicContact CG1-CB 4.01Å; V181-L242 HydrophobicContact CG2-CB 4Å; V181-L242 HydrophobicContact CG2-CD1 3.85Å; V181-L242 HydrophobicContact CG2-CG 4.24Å; V181-W285 HydrophobicContact CG2-CH2 4.06Å; V181-W285 HydrophobicContact CG2-CZ3 4.45Å |
| 182 | E | 83 | Confident | 91.3 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -35.5 | -172.6 | -172.6 | 178.7 | -107.2 | 0 | 0 | 114.6 | L178 K179 | L178-E182 PolarHBondContact O-N 2.72Å; L178-E182 VanDerWaalsContact O-N 3.08Å; K179-E182 WeakPolarHBondContact CD-OE2 3.29Å; K179-E182 WeakPolarHBondContact CE-OE2 3.36Å; K179-E182 IonicContact NZ-OE1 3.19Å; K179-E182 PolarHBondContact NZ-OE1 3.38Å; K179-E182 IonicContact NZ-OE2 2.77Å; K179-E182 PolarHBondContact NZ-OE2 3Å |
| 183 | L | 80.4 | Confident | 91.1 | Very high | 160 Ų | 160 | 51.8 Ų | 51.8 | 84% | 0.838 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.3 | -178.5 | -63.7 | 177.3 | 0 | 0 | 0 | 115.1 | V181 | V181-L183 PolarHBondContact O-N 3.43Š|
| 184 | I | 86.1 | Confident | 91 | Very high | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.297 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 5.4 | -178.1 | 58.7 | 168.4 | 0 | 0 | 0 | 112.9 | V181 V191 A199 L241 | V181-I184 HydrophobicContact CB-CG1 4.47Å; V181-I184 WeakPolarHBondContact O-CG1 3.44Å; V181-I184 PolarHBondContact O-N 3.28Å; I184-V191 HydrophobicContact CD1-CG1 4.48Å; I184-V191 HydrophobicContact CG1-CG2 4.49Å; I184-A199 HydrophobicContact CD1-CB 4.08Å; I184-L241 HydrophobicContact CD1-CD2 3.46Å; I184-L241 VanDerWaalsContact CD1-CD2 3.46Å |
| 185 | V | 86.4 | Confident | 90.8 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | trans | -79.8 | 130 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 109.6 | V181 G190 V191 R238 W285 | V181-V185 HydrophobicContact CB-CG2 4.41Å; V181-V185 WeakPolarHBondContact O-CG2 3.32Å; V181-V185 PolarHBondContact O-N 3.39Å; V185-G190 WeakPolarHBondContact CA-O 3.01Å; V185-V191 HydrophobicContact CG2-CG2 4.03Å; V185-R238 HydrophobicContact CG2-CG 3.66Å; V185-W285 HydrophobicContact CB-CZ2 4.4Å; V185-W285 HydrophobicContact CG1-CZ2 4.1Å; V185-W285 HydrophobicContact CG2-CH2 4.22Å; V185-W285 HydrophobicContact CG2-CZ2 3.93Å | ||
| 186 | D | 86.3 | Confident | 90.8 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | trans | -79.4 | 172 | 176.6 | 64 | 39 | 0 | 0 | 0 | 112.7 | D188 N189 G190 Q192 | D186-D188 PolarHBondContact O-N 2.68Å; D186-D188 VanDerWaalsContact O-N 3.14Å; D186-D188 WeakPolarHBondContact OD1-CA 3.44Å; D186-D188 PolarHBondContact OD1-N 2.67Å; D186-N189 WeakPolarHBondContact O-CA 3.37Å; D186-N189 PolarHBondContact O-N 3.05Å; D186-N189 PolarHBondContact OD1-N 3.33Å; D186-G190 PolarHBondContact N-O 3.24Å; D186-G190 WeakPolarHBondContact OD1-CA 3.11Å; D186-G190 PolarHBondContact OD1-N 2.8Å; D186-Q192 PolarHBondContact OD2-NE2 3.39Å | ||
| 187 | N | 86.9 | Confident | 90.7 | Very high | 165 Ų | 165 | 62.4 Ų | 62.4 | 88% | 0.882 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.9 | -178.9 | -67.5 | -26.5 | 0 | 0 | 0 | 113.6 | ||
| 188 | D | 89 | Confident | 90.7 | Very high | 139 Ų | 139 | 70.3 Ų | 70.3 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 9 | 176.4 | -63.7 | -42.9 | 0 | 0 | 0 | 111.7 | D186 G190 | D186-D188 PolarHBondContact O-N 2.68Å; D186-D188 VanDerWaalsContact O-N 3.14Å; D186-D188 WeakPolarHBondContact OD1-CA 3.44Å; D186-D188 PolarHBondContact OD1-N 2.67Å; D188-G190 PolarHBondContact O-N 3.16Å |
| 189 | N | 90.3 | Very high | 90.8 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 66.1 | 19.9 | -177.3 | -49.7 | -85.8 | 0 | 0 | 0 | 114.1 | D186 R238 W285 | D186-N189 WeakPolarHBondContact O-CA 3.37Å; D186-N189 PolarHBondContact O-N 3.05Å; D186-N189 PolarHBondContact OD1-N 3.33Å; N189-R238 WeakPolarHBondContact O-CD 3.49Å; N189-R238 PolarHBondContact O-NH1 2.93Å; N189-W285 HydrophobicContact CB-CG 4.44Å; N189-W285 PolarHBondContact OD1-NE1 3.45Å |
| 190 | G | 93.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | trans | -94.3 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V185 D186 D188 P234 | V185-G190 WeakPolarHBondContact CA-O 3.01Å; D186-G190 PolarHBondContact N-O 3.24Å; D186-G190 WeakPolarHBondContact OD1-CA 3.11Å; D186-G190 PolarHBondContact OD1-N 2.8Å; D188-G190 PolarHBondContact O-N 3.16Å; G190-P234 VanDerWaalsContact CA-CB 3.49Å | ||
| 191 | V | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -126.7 | 131.6 | 163.1 | 169.3 | 0 | 0 | 0 | 0 | 108.3 | I184 V185 D195 F196 P234 R237 R238 L241 | I184-V191 HydrophobicContact CD1-CG1 4.48Å; I184-V191 HydrophobicContact CG1-CG2 4.49Å; V185-V191 HydrophobicContact CG2-CG2 4.03Å; V191-D195 HydrophobicContact CG1-CB 4.12Å; V191-F196 HydrophobicContact CG1-CB 4.18Å; V191-P234 PolarHBondContact N-O 2.65Å; V191-P234 VanDerWaalsContact N-O 3.11Å; V191-R237 VanDerWaalsContact O-CZ 3.3Å; V191-R237 PolarHBondContact O-NH1 2.83Å; V191-R238 HydrophobicContact CB-CB 4.28Å; V191-R238 HydrophobicContact CG2-CB 3.74Å; V191-R238 HydrophobicContact CG2-CG 3.86Å; V191-L241 HydrophobicContact CG1-CD2 4.07Å | ||
| 192 | Q | 96.4 | Very high | 91.7 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | trans | -77.8 | 163.3 | -178.7 | -57 | -60.5 | -28.9 | 0 | 0 | 112.2 | D186 D195 F196 | D186-Q192 PolarHBondContact OD2-NE2 3.39Å; Q192-D195 WeakPolarHBondContact CB-OD2 3.43Å; Q192-D195 PolarHBondContact O-N 3.19Å; Q192-F196 WeakPolarHBondContact O-CB 3.31Å; Q192-F196 PolarHBondContact O-N 3.13Å | ||
| 193 | A | 95.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111 | D195 F196 D197 | A193-D195 VanDerWaalsContact C-N 3.31Å; A193-D195 PolarHBondContact O-N 2.95Å; A193-F196 PolarHBondContact O-N 3.02Å; A193-D197 WeakPolarHBondContact O-CB 3.28Å; A193-D197 PolarHBondContact O-N 2.81Å |
| 194 | N | 95.8 | Very high | 92.8 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | 175.2 | -57.5 | -4.2 | 0 | 0 | 0 | 111.7 | Y198 | N194-Y198 WeakPolarHBondContact O-CB 3.41Å; N194-Y198 PolarHBondContact O-N 3.09Å |
| 195 | D | 95.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.3 | -38.5 | 179.6 | -57.9 | -36 | 0 | 0 | 0 | 111.3 | V191 Q192 A193 A199 | V191-D195 HydrophobicContact CG1-CB 4.12Å; Q192-D195 WeakPolarHBondContact CB-OD2 3.43Å; Q192-D195 PolarHBondContact O-N 3.19Å; A193-D195 VanDerWaalsContact C-N 3.31Å; A193-D195 PolarHBondContact O-N 2.95Å; D195-A199 WeakPolarHBondContact O-CB 3.33Å; D195-A199 PolarHBondContact O-N 2.72Å |
| 196 | F | 96.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -53.3 | 169.7 | 179.4 | -87.9 | 0 | 0 | 0 | 111 | V191 Q192 A193 Y198 A199 V200 R237 L241 | V191-F196 HydrophobicContact CG1-CB 4.18Å; Q192-F196 WeakPolarHBondContact O-CB 3.31Å; Q192-F196 PolarHBondContact O-N 3.13Å; A193-F196 PolarHBondContact O-N 3.02Å; F196-Y198 VanDerWaalsContact C-N 3.33Å; F196-Y198 PolarHBondContact O-N 3.49Å; F196-A199 PolarHBondContact O-N 3.09Å; F196-V200 HydrophobicContact CD1-CG2 4.2Å; F196-V200 HydrophobicContact CE1-CG2 3.89Å; F196-V200 HydrophobicContact CE2-CG2 4.38Å; F196-V200 HydrophobicContact CZ-CG2 3.98Å; F196-V200 VanDerWaalsContact O-CG2 3.3Å; F196-V200 WeakPolarHBondContact O-CG2 3.37Å; F196-V200 PolarHBondContact O-N 3.23Å; F196-R237 HydrophobicContact CD2-CB 4.29Å; F196-L241 HydrophobicContact CD2-CB 3.93Å; F196-L241 HydrophobicContact CD2-CD1 4.16Å; F196-L241 HydrophobicContact CD2-CD2 4.3Å; F196-L241 HydrophobicContact CD2-CG 4.37Å; F196-L241 HydrophobicContact CE2-CB 4.04Å; F196-L241 HydrophobicContact CE2-CD1 4.27Å |
| 197 | D | 94.9 | Very high | 93.6 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 179.8 | -80.3 | -23.5 | 0 | 0 | 0 | 111.6 | A193 S201 | A193-D197 WeakPolarHBondContact O-CB 3.28Å; A193-D197 PolarHBondContact O-N 2.81Å; D197-S201 VanDerWaalsContact O-CB 3.3Å; D197-S201 WeakPolarHBondContact O-CB 3.23Å; D197-S201 PolarHBondContact O-N 3.1Å; D197-S201 PolarHBondContact O-OG 3.02Å |
| 198 | Y | 95 | Very high | 93.7 | Very high | 167 Ų | 167 | 47.4 Ų | 47.4 | 66% | 0.655 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.7 | -46.1 | 177.1 | 177.9 | -102 | 0 | 0 | 0 | 112.1 | N194 F196 V200 S201 S202 | N194-Y198 WeakPolarHBondContact O-CB 3.41Å; N194-Y198 PolarHBondContact O-N 3.09Å; F196-Y198 VanDerWaalsContact C-N 3.33Å; F196-Y198 PolarHBondContact O-N 3.49Å; Y198-V200 PolarHBondContact O-N 3.1Å; Y198-S201 PolarHBondContact O-N 2.97Å; Y198-S202 WeakPolarHBondContact O-CB 3.06Å; Y198-S202 PolarHBondContact O-N 2.75Å |
| 199 | A | 95.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F180 I184 D195 F196 F203 L241 | F180-A199 HydrophobicContact CZ-CB 4.3Å; I184-A199 HydrophobicContact CD1-CB 4.08Å; D195-A199 WeakPolarHBondContact O-CB 3.33Å; D195-A199 PolarHBondContact O-N 2.72Å; F196-A199 PolarHBondContact O-N 3.09Å; A199-F203 WeakPolarHBondContact O-CB 3.38Å; A199-F203 PolarHBondContact O-N 2.89Å; A199-L241 HydrophobicContact CB-CD1 3.96Å; A199-L241 HydrophobicContact CB-CD2 3.82Å; A199-L241 HydrophobicContact CB-CG 4.44Å |
| 200 | V | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | F196 Y198 F203 V204 I221 K222 L241 L244 | F196-V200 HydrophobicContact CD1-CG2 4.2Å; F196-V200 HydrophobicContact CE1-CG2 3.89Å; F196-V200 HydrophobicContact CE2-CG2 4.38Å; F196-V200 HydrophobicContact CZ-CG2 3.98Å; F196-V200 VanDerWaalsContact O-CG2 3.3Å; F196-V200 WeakPolarHBondContact O-CG2 3.37Å; F196-V200 PolarHBondContact O-N 3.23Å; Y198-V200 PolarHBondContact O-N 3.1Å; V200-F203 PolarHBondContact O-N 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.43Å; V200-V204 PolarHBondContact O-N 2.88Å; V200-I221 HydrophobicContact CG1-CB 4.34Å; V200-I221 HydrophobicContact CG1-CG2 3.75Å; V200-K222 HydrophobicContact CB-CG 4.12Å; V200-K222 HydrophobicContact CG1-CG 3.67Å; V200-L241 HydrophobicContact CG2-CD1 3.91Å; V200-L244 HydrophobicContact CG1-CD1 4.32Å; V200-L244 HydrophobicContact CG2-CD1 3.74Å |
| 201 | S | 93.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -53.6 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | D197 Y198 F203 V204 D205 R218 | D197-S201 VanDerWaalsContact O-CB 3.3Å; D197-S201 WeakPolarHBondContact O-CB 3.23Å; D197-S201 PolarHBondContact O-N 3.1Å; D197-S201 PolarHBondContact O-OG 3.02Å; Y198-S201 PolarHBondContact O-N 2.97Å; S201-F203 VanDerWaalsContact C-N 3.34Å; S201-F203 PolarHBondContact O-N 3.23Å; S201-V204 PolarHBondContact O-N 2.92Å; S201-D205 PolarHBondContact O-N 3.13Å; S201-R218 WeakPolarHBondContact OG-CD 3.37Å |
| 202 | S | 93.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | R136 Y198 V204 D205 D206 | R136-S202 PolarHBondContact NH1-OG 2.9Å; Y198-S202 WeakPolarHBondContact O-CB 3.06Å; Y198-S202 PolarHBondContact O-N 2.75Å; S202-V204 VanDerWaalsContact C-N 3.33Å; S202-V204 PolarHBondContact O-N 3.37Å; S202-D205 PolarHBondContact O-N 2.9Å; S202-D206 VanDerWaalsContact O-CB 3.25Å; S202-D206 WeakPolarHBondContact O-CB 3.35Å; S202-D206 PolarHBondContact O-N 3.46Å; S202-D206 PolarHBondContact OG-OD2 2.9Å |
| 203 | F | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 178.6 | 176.6 | -96.1 | 0 | 0 | 0 | 112.6 | Y137 F180 A199 V200 S201 L207 L244 F245 H248 W391 | Y137-F203 HydrophobicContact CD2-CD2 4.42Å; Y137-F203 AromaticContact CE2-CD2 3.81Å; Y137-F203 HydrophobicContact CE2-CD2 3.81Å; Y137-F203 HydrophobicContact CE2-CE2 4.42Å; F180-F203 HydrophobicContact CE2-CD2 4.37Å; F180-F203 HydrophobicContact CZ-CB 4.28Å; F180-F203 HydrophobicContact CZ-CD2 4.39Å; A199-F203 WeakPolarHBondContact O-CB 3.38Å; A199-F203 PolarHBondContact O-N 2.89Å; V200-F203 PolarHBondContact O-N 3.3Å; S201-F203 VanDerWaalsContact C-N 3.34Å; S201-F203 PolarHBondContact O-N 3.23Å; F203-L207 HydrophobicContact CD1-CD1 4.26Å; F203-L207 HydrophobicContact CD2-CD1 3.96Å; F203-L207 HydrophobicContact CE1-CD1 3.7Å; F203-L207 HydrophobicContact CE2-CD1 3.33Å; F203-L207 HydrophobicContact CG-CD1 4.39Å; F203-L207 HydrophobicContact CZ-CD1 3.2Å; F203-L207 PolarHBondContact O-N 2.87Å; F203-L244 HydrophobicContact CD1-CD2 3.52Å; F203-L244 HydrophobicContact CE1-CD2 3.54Å; F203-L244 HydrophobicContact CG-CD2 4.02Å; F203-L244 HydrophobicContact CZ-CD2 4.07Å; F203-F245 AromaticContact CD2-CD2 3.65Å; F203-F245 HydrophobicContact CD2-CD2 3.65Å; F203-F245 AromaticContact CD2-CE2 3.9Å; F203-F245 HydrophobicContact CD2-CE2 3.9Å; F203-F245 AromaticContact CE2-CD2 3.35Å; F203-F245 HydrophobicContact CE2-CD2 3.35Å; F203-F245 AromaticContact CE2-CE2 3.58Å; F203-F245 HydrophobicContact CE2-CE2 3.58Å; F203-F245 HydrophobicContact CZ-CD2 4.33Å; F203-H248 HydrophobicContact CE1-CB 4.22Å; F203-H248 HydrophobicContact CZ-CB 3.69Å; F203-H248 AromaticContact CZ-CG 3.62Å; F203-H248 AromaticContact CZ-ND1 3.7Å; F203-W391 HydrophobicContact CE1-CH2 4.09Å |
| 204 | V | 93.5 | Very high | 87.6 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V200 S201 S202 D206 L207 Y208 L217 R218 I221 | V200-V204 WeakPolarHBondContact O-CG2 3.43Å; V200-V204 PolarHBondContact O-N 2.88Å; S201-V204 PolarHBondContact O-N 2.92Å; S202-V204 VanDerWaalsContact C-N 3.33Å; S202-V204 PolarHBondContact O-N 3.37Å; V204-D206 PolarHBondContact O-N 3.01Å; V204-L207 PolarHBondContact O-N 3.39Å; V204-Y208 HydrophobicContact CG1-CD2 4.24Å; V204-Y208 WeakPolarHBondContact O-CB 3.14Å; V204-Y208 PolarHBondContact O-N 3.28Å; V204-L217 HydrophobicContact CG1-CD2 4.05Å; V204-L217 HydrophobicContact CG1-CG 4.2Å; V204-R218 HydrophobicContact CB-CG 4.48Å; V204-R218 HydrophobicContact CG1-CB 4.35Å; V204-R218 HydrophobicContact CG2-CB 4.49Å; V204-R218 HydrophobicContact CG2-CG 4.39Å; V204-I221 HydrophobicContact CG2-CD1 3.5Å; V204-I221 VanDerWaalsContact CG2-CD1 3.5Å |
| 205 | D | 91.6 | Very high | 87 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | -179.3 | -62.5 | -14.9 | 0 | 0 | 0 | 112.4 | S201 S202 L207 G209 Y210 R218 | S201-D205 PolarHBondContact O-N 3.13Å; S202-D205 PolarHBondContact O-N 2.9Å; D205-L207 VanDerWaalsContact C-N 3.28Å; D205-L207 PolarHBondContact O-N 2.99Å; D205-G209 VanDerWaalsContact O-CA 3.26Å; D205-G209 WeakPolarHBondContact O-CA 3.28Å; D205-G209 PolarHBondContact O-N 3.46Å; D205-G209 VanDerWaalsContact O-N 3.14Å; D205-Y210 HydrophobicContact CB-CD1 4.46Å; D205-Y210 HydrophobicContact CB-CE1 3.95Å; D205-Y210 HydrophobicContact CB-CE2 4.32Å; D205-Y210 VanDerWaalsContact CG-CE1 3.49Å; D205-Y210 VanDerWaalsContact OD2-CE1 3.22Å; D205-Y210 WeakPolarHBondContact OD2-CE1 3.4Å; D205-R218 IonicContact OD1-CZ 3.65Å; D205-R218 IonicContact OD1-NE 3.79Å; D205-R218 IonicContact OD1-NH2 3.77Å; D205-R218 PolarHBondContact OD1-NH2 2.85Å; D205-R218 IonicContact OD2-NH2 2.75Å; D205-R218 PolarHBondContact OD2-NH2 3.31Å |
| 206 | D | 91.9 | Very high | 86.7 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.1 | -20.7 | -179.5 | -76.3 | -48 | 0 | 0 | 0 | 113.3 | R136 Y137 S202 V204 | R136-D206 HydrophobicContact CB-CB 4.22Å; R136-D206 WeakPolarHBondContact CD-OD2 3.16Å; R136-D206 IonicContact CZ-OD2 3.72Å; R136-D206 IonicContact NE-OD2 3.89Å; R136-D206 IonicContact NH1-OD2 2.77Å; R136-D206 PolarHBondContact NH1-OD2 3.5Å; Y137-D206 HydrophobicContact CD2-CB 3.75Å; Y137-D206 HydrophobicContact CE2-CB 3.56Å; S202-D206 VanDerWaalsContact O-CB 3.25Å; S202-D206 WeakPolarHBondContact O-CB 3.35Å; S202-D206 PolarHBondContact O-N 3.46Å; S202-D206 PolarHBondContact OG-OD2 2.9Å; V204-D206 PolarHBondContact O-N 3.01Å |
| 207 | L | 90.8 | Very high | 86.5 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -114.4 | -40.3 | -176.2 | -74.6 | 168.5 | 0 | 0 | 0 | 114.4 | Y137 F203 V204 D205 | Y137-L207 HydrophobicContact CD2-CD1 4.37Å; Y137-L207 HydrophobicContact CD2-CD2 4.3Å; Y137-L207 HydrophobicContact CD2-CG 4.02Å; F203-L207 HydrophobicContact CD1-CD1 4.26Å; F203-L207 HydrophobicContact CD2-CD1 3.96Å; F203-L207 HydrophobicContact CE1-CD1 3.7Å; F203-L207 HydrophobicContact CE2-CD1 3.33Å; F203-L207 HydrophobicContact CG-CD1 4.39Å; F203-L207 HydrophobicContact CZ-CD1 3.2Å; F203-L207 PolarHBondContact O-N 2.87Å; V204-L207 PolarHBondContact O-N 3.39Å; D205-L207 VanDerWaalsContact C-N 3.28Å; D205-L207 PolarHBondContact O-N 2.99Å |
| 208 | Y | 89.9 | Confident | 86.3 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 21% | 0.212 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -108.5 | -1.1 | -176.3 | -60.1 | -80.6 | 0 | 0 | 0 | 112.9 | V204 L217 H248 W391 V395 H399 | V204-Y208 HydrophobicContact CG1-CD2 4.24Å; V204-Y208 WeakPolarHBondContact O-CB 3.14Å; V204-Y208 PolarHBondContact O-N 3.28Å; Y208-L217 HydrophobicContact CD1-CD2 4.16Å; Y208-L217 HydrophobicContact CD2-CD2 4Å; Y208-L217 HydrophobicContact CG-CD2 3.76Å; Y208-H248 AromaticContact CZ-NE2 3.79Å; Y208-H248 PolarHBondContact OH-CD2 2.82Å; Y208-H248 PolarHBondContact OH-NE2 3.12Å; Y208-W391 HydrophobicContact CE2-CZ3 4.28Å; Y208-V395 HydrophobicContact CE1-CG1 3.81Å; Y208-V395 HydrophobicContact CE2-CG1 4.42Å; Y208-V395 VanDerWaalsContact OH-CG1 3.28Å; Y208-V395 WeakPolarHBondContact OH-CG1 3.46Å; Y208-H399 AromaticContact CD1-ND1 3.85Å; Y208-H399 PolarHBondContact O-CE1 3.43Å |
| 209 | G | 85.1 | Confident | 86.3 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | trans | 70.7 | -175.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | D205 | D205-G209 VanDerWaalsContact O-CA 3.26Å; D205-G209 WeakPolarHBondContact O-CA 3.28Å; D205-G209 PolarHBondContact O-N 3.46Å; D205-G209 VanDerWaalsContact O-N 3.14Å | ||
| 210 | Y | 76.8 | Confident | 86.3 | Confident | 179 Ų | 179 | 54.2 Ų | 54.2 | 70% | 0.702 | 28% | 0.276 | S | S | * | . | trans | -87.4 | 127.3 | -179.6 | -69.5 | -84.4 | 0 | 0 | 0 | 110.9 | D205 E212 | D205-Y210 HydrophobicContact CB-CD1 4.46Å; D205-Y210 HydrophobicContact CB-CE1 3.95Å; D205-Y210 HydrophobicContact CB-CE2 4.32Å; D205-Y210 VanDerWaalsContact CG-CE1 3.49Å; D205-Y210 VanDerWaalsContact OD2-CE1 3.22Å; D205-Y210 WeakPolarHBondContact OD2-CE1 3.4Å; Y210-E212 PolarHBondContact O-N 3.06Å | ||
| 211 | P | 73 | Confident | 86.3 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 24% | 0.24 | 28% | 0.276 | C | S | . | . | trans | -70 | 131 | 174.4 | 28.2 | -33.3 | 0 | 0 | 0 | 110.8 | G213 D215 | P211-G213 PolarHBondContact O-N 2.9Å; P211-D215 HydrophobicContact CG-CB 4.27Å | ||
| 212 | E | 63.1 | Low | 86.5 | Confident | 192 Ų | 192 | 54.6 Ų | 54.6 | 90% | 0.897 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -73.7 | -2.5 | 171.5 | -61 | -165.7 | 158.6 | 0 | 0 | 113.2 | Y210 | Y210-E212 PolarHBondContact O-N 3.06Š|
| 213 | G | 65.7 | Low | 86.7 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -132.9 | -143.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P211 | P211-G213 PolarHBondContact O-N 2.9Š|
| 214 | K | 68.8 | Low | 86.9 | Confident | 168 Ų | 168 | 62.3 Ų | 62.3 | 73% | 0.73 | 31% | 0.308 | S | S | * | . | trans | -71.4 | 131.8 | 176.1 | -74 | -177.2 | 178.5 | 177.6 | 0 | 110.1 | I216 N402 | K214-I216 HydrophobicContact CB-CD1 4.28Å; K214-I216 HydrophobicContact CB-CG1 3.97Å; K214-I216 PolarHBondContact O-N 2.92Å; K214-N402 PolarHBondContact O-OD1 3Å | ||
| 215 | D | 82.5 | Confident | 87.1 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | trans | -79.5 | 62.7 | -179 | -172.1 | 16.9 | 0 | 0 | 0 | 112.9 | P211 R218 E219 | P211-D215 HydrophobicContact CG-CB 4.27Å; D215-R218 VanDerWaalsContact CG-CB 3.48Å; D215-R218 WeakPolarHBondContact OD1-CB 3.13Å; D215-R218 PolarHBondContact OD1-N 2.94Å; D215-R218 WeakPolarHBondContact OD2-CB 3.45Å; D215-R218 WeakPolarHBondContact OD2-CD 3.37Å; D215-R218 IonicContact OD2-CZ 3.47Å; D215-R218 IonicContact OD2-NE 2.89Å; D215-R218 PolarHBondContact OD2-NE 3.38Å; D215-R218 IonicContact OD2-NH1 2.9Å; D215-R218 PolarHBondContact OD2-NH1 3.22Å; D215-E219 WeakPolarHBondContact O-CG 3.35Å | ||
| 216 | I | 89.8 | Confident | 87.4 | Confident | 69 Ų | 69 | 63 Ų | 63 | 35% | 0.354 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | -176.4 | -59.7 | 167.5 | 0 | 0 | 0 | 110.6 | K214 T220 L398 | K214-I216 HydrophobicContact CB-CD1 4.28Å; K214-I216 HydrophobicContact CB-CG1 3.97Å; K214-I216 PolarHBondContact O-N 2.92Å; I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.44Å; I216-T220 PolarHBondContact O-N 3.28Å; I216-T220 PolarHBondContact O-OG1 3.38Å; I216-L398 HydrophobicContact CG2-CD2 3.87Å |
| 217 | L | 91 | Very high | 87.7 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -52.9 | -174.9 | 179.2 | 57.9 | 0 | 0 | 0 | 111.6 | V204 Y208 E219 T220 I221 V395 L398 | V204-L217 HydrophobicContact CG1-CD2 4.05Å; V204-L217 HydrophobicContact CG1-CG 4.2Å; Y208-L217 HydrophobicContact CD1-CD2 4.16Å; Y208-L217 HydrophobicContact CD2-CD2 4Å; Y208-L217 HydrophobicContact CG-CD2 3.76Å; L217-E219 PolarHBondContact O-N 2.91Å; L217-T220 PolarHBondContact O-N 2.92Å; L217-I221 HydrophobicContact CD1-CD1 3.71Å; L217-I221 HydrophobicContact CD1-CG1 4.32Å; L217-I221 HydrophobicContact CG-CD1 3.89Å; L217-I221 WeakPolarHBondContact O-CG1 3.25Å; L217-I221 PolarHBondContact O-N 3.3Å; L217-V395 HydrophobicContact CD1-CB 4.2Å; L217-V395 HydrophobicContact CD1-CG1 3.79Å; L217-V395 HydrophobicContact CD1-CG2 3.84Å; L217-L398 HydrophobicContact CD1-CB 4.32Å |
| 218 | R | 92.1 | Very high | 88 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | -178.2 | -168.1 | -167.5 | -72.6 | 158.5 | -12.1 | 112 | S201 V204 D205 D215 T220 I221 K222 | S201-R218 WeakPolarHBondContact OG-CD 3.37Å; V204-R218 HydrophobicContact CB-CG 4.48Å; V204-R218 HydrophobicContact CG1-CB 4.35Å; V204-R218 HydrophobicContact CG2-CB 4.49Å; V204-R218 HydrophobicContact CG2-CG 4.39Å; D205-R218 IonicContact OD1-CZ 3.65Å; D205-R218 IonicContact OD1-NE 3.79Å; D205-R218 IonicContact OD1-NH2 3.77Å; D205-R218 PolarHBondContact OD1-NH2 2.85Å; D205-R218 IonicContact OD2-NH2 2.75Å; D205-R218 PolarHBondContact OD2-NH2 3.31Å; D215-R218 VanDerWaalsContact CG-CB 3.48Å; D215-R218 WeakPolarHBondContact OD1-CB 3.13Å; D215-R218 PolarHBondContact OD1-N 2.94Å; D215-R218 WeakPolarHBondContact OD2-CB 3.45Å; D215-R218 WeakPolarHBondContact OD2-CD 3.37Å; D215-R218 IonicContact OD2-CZ 3.47Å; D215-R218 IonicContact OD2-NE 2.89Å; D215-R218 PolarHBondContact OD2-NE 3.38Å; D215-R218 IonicContact OD2-NH1 2.9Å; D215-R218 PolarHBondContact OD2-NH1 3.22Å; R218-T220 VanDerWaalsContact C-N 3.33Å; R218-T220 PolarHBondContact O-N 3.19Å; R218-I221 PolarHBondContact O-N 3.07Å; R218-K222 WeakPolarHBondContact O-CG 3.3Å; R218-K222 PolarHBondContact O-N 2.91Å |
| 219 | E | 93.6 | Very high | 88.3 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 178 | -66.1 | -58.1 | 119.1 | 0 | 0 | 112 | D215 L217 K222 F223 | D215-E219 WeakPolarHBondContact O-CG 3.35Å; L217-E219 PolarHBondContact O-N 2.91Å; E219-K222 WeakPolarHBondContact OE1-CD 3.41Å; E219-K222 IonicContact OE1-NZ 3.87Å; E219-K222 PolarHBondContact OE1-NZ 3.31Å; E219-F223 VanDerWaalsContact O-CB 3.3Å; E219-F223 WeakPolarHBondContact O-CB 3.47Å; E219-F223 PolarHBondContact O-N 3.11Å |
| 220 | T | 96 | Very high | 88.9 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 172.1 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | I216 L217 R218 F223 M224 L394 L398 | I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.44Å; I216-T220 PolarHBondContact O-N 3.28Å; I216-T220 PolarHBondContact O-OG1 3.38Å; L217-T220 PolarHBondContact O-N 2.92Å; R218-T220 VanDerWaalsContact C-N 3.33Å; R218-T220 PolarHBondContact O-N 3.19Å; T220-F223 PolarHBondContact O-N 3.03Å; T220-M224 HydrophobicContact CG2-CG 4.27Å; T220-M224 WeakPolarHBondContact O-CB 3.42Å; T220-M224 VanDerWaalsContact O-CG 3.23Å; T220-M224 WeakPolarHBondContact O-CG 3.42Å; T220-M224 PolarHBondContact O-N 3.48Å; T220-L394 HydrophobicContact CG2-CD2 4.34Å; T220-L398 HydrophobicContact CG2-CD1 3.81Å |
| 221 | I | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 178.5 | -68.8 | 163 | 0 | 0 | 0 | 110.6 | V200 V204 L217 R218 F223 M224 Y225 L244 W391 | V200-I221 HydrophobicContact CG1-CB 4.34Å; V200-I221 HydrophobicContact CG1-CG2 3.75Å; V204-I221 HydrophobicContact CG2-CD1 3.5Å; V204-I221 VanDerWaalsContact CG2-CD1 3.5Å; L217-I221 HydrophobicContact CD1-CD1 3.71Å; L217-I221 HydrophobicContact CD1-CG1 4.32Å; L217-I221 HydrophobicContact CG-CD1 3.89Å; L217-I221 WeakPolarHBondContact O-CG1 3.25Å; L217-I221 PolarHBondContact O-N 3.3Å; R218-I221 PolarHBondContact O-N 3.07Å; I221-F223 VanDerWaalsContact C-N 3.34Å; I221-F223 PolarHBondContact O-N 3.47Å; I221-M224 PolarHBondContact O-N 2.85Å; I221-Y225 HydrophobicContact CG2-CD2 4.06Å; I221-Y225 WeakPolarHBondContact O-CD2 3.33Å; I221-Y225 PolarHBondContact O-N 3.36Å; I221-L244 HydrophobicContact CG2-CD1 3.66Å; I221-L244 HydrophobicContact CG2-CG 4.37Å; I221-W391 HydrophobicContact CD1-CH2 3.66Å; I221-W391 HydrophobicContact CD1-CZ3 3.64Å; I221-W391 HydrophobicContact CG1-CH2 3.88Å; I221-W391 HydrophobicContact CG1-CZ3 4.06Å; I221-W391 HydrophobicContact CG2-CH2 3.99Å; I221-W391 HydrophobicContact CG2-CZ2 4.49Å |
| 222 | K | 96.5 | Very high | 90.8 | Very high | 30 Ų | 30 | 75.8 Ų | 75.8 | 13% | 0.13 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 172.2 | -72 | 176.6 | -174.8 | 168.6 | 0 | 111.6 | V200 R218 E219 M224 Y225 T226 | V200-K222 HydrophobicContact CB-CG 4.12Å; V200-K222 HydrophobicContact CG1-CG 3.67Å; R218-K222 WeakPolarHBondContact O-CG 3.3Å; R218-K222 PolarHBondContact O-N 2.91Å; E219-K222 WeakPolarHBondContact OE1-CD 3.41Å; E219-K222 IonicContact OE1-NZ 3.87Å; E219-K222 PolarHBondContact OE1-NZ 3.31Å; K222-M224 VanDerWaalsContact C-N 3.34Å; K222-M224 PolarHBondContact O-N 2.99Å; K222-Y225 PolarHBondContact O-N 3.5Å; K222-T226 WeakPolarHBondContact O-CB 3.47Å; K222-T226 PolarHBondContact O-N 3.32Å; K222-T226 PolarHBondContact O-OG1 3.4Å |
| 223 | F | 97.8 | Very high | 92.4 | Very high | 116 Ų | 116 | 68.9 Ų | 68.9 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.3 | 172.8 | -91 | 0 | 0 | 0 | 111.9 | E219 T220 I221 W228 | E219-F223 VanDerWaalsContact O-CB 3.3Å; E219-F223 WeakPolarHBondContact O-CB 3.47Å; E219-F223 PolarHBondContact O-N 3.11Å; T220-F223 PolarHBondContact O-N 3.03Å; I221-F223 VanDerWaalsContact C-N 3.34Å; I221-F223 PolarHBondContact O-N 3.47Å; F223-W228 HydrophobicContact CB-CZ2 4.49Å; F223-W228 AromaticContact CD2-CE2 3.7Å; F223-W228 AromaticContact CD2-CZ2 3.47Å; F223-W228 HydrophobicContact CD2-CZ2 3.47Å; F223-W228 VanDerWaalsContact CD2-CZ2 3.47Å; F223-W228 AromaticContact CD2-NE1 3.64Å; F223-W228 AromaticContact CE2-CE2 3.81Å; F223-W228 AromaticContact CE2-CZ2 3.98Å; F223-W228 HydrophobicContact CE2-CZ2 3.98Å; F223-W228 AromaticContact CE2-NE1 3.6Å; F223-W228 HydrophobicContact CG-CZ2 4.27Å; F223-W228 PolarHBondContact O-NE1 3.34Å |
| 224 | M | 98.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 69.1 Ų | 69.1 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.8 | -36.4 | -178.3 | -70 | -65.5 | -81.6 | 0 | 0 | 112.4 | T220 I221 K222 K387 L390 | T220-M224 HydrophobicContact CG2-CG 4.27Å; T220-M224 WeakPolarHBondContact O-CB 3.42Å; T220-M224 VanDerWaalsContact O-CG 3.23Å; T220-M224 WeakPolarHBondContact O-CG 3.42Å; T220-M224 PolarHBondContact O-N 3.48Å; I221-M224 PolarHBondContact O-N 2.85Å; K222-M224 VanDerWaalsContact C-N 3.34Å; K222-M224 PolarHBondContact O-N 2.99Å; M224-K387 VanDerWaalsContact C-NZ 3.33Å; M224-K387 PolarHBondContact O-NZ 2.88Å; M224-L390 HydrophobicContact CB-CD2 3.68Å; M224-L390 HydrophobicContact CE-CB 4.32Å; M224-L390 HydrophobicContact CE-CD1 4.31Å; M224-L390 HydrophobicContact CE-CD2 4.14Å; M224-L390 HydrophobicContact CG-CD1 4.05Å; M224-L390 HydrophobicContact CG-CD2 3.91Å |
| 225 | Y | 98.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -93.6 | 8.3 | 179.5 | -73.4 | -83.9 | 0 | 0 | 0 | 114.5 | I221 K222 T240 A243 L244 D247 K387 L390 W391 | I221-Y225 HydrophobicContact CG2-CD2 4.06Å; I221-Y225 WeakPolarHBondContact O-CD2 3.33Å; I221-Y225 PolarHBondContact O-N 3.36Å; K222-Y225 PolarHBondContact O-N 3.5Å; Y225-T240 WeakPolarHBondContact CD1-O 3.48Å; Y225-T240 WeakPolarHBondContact O-CB 3.45Å; Y225-T240 WeakPolarHBondContact O-CG2 3.43Å; Y225-T240 PolarHBondContact O-OG1 2.97Å; Y225-A243 HydrophobicContact CE1-CB 4.47Å; Y225-L244 HydrophobicContact CD1-CB 3.73Å; Y225-L244 HydrophobicContact CD1-CG 4.42Å; Y225-L244 HydrophobicContact CD2-CB 4.16Å; Y225-L244 HydrophobicContact CD2-CD1 3.8Å; Y225-L244 HydrophobicContact CD2-CG 3.94Å; Y225-L244 VanDerWaalsContact CE1-CA 3.46Å; Y225-L244 HydrophobicContact CE1-CB 3.84Å; Y225-L244 HydrophobicContact CE2-CB 4.25Å; Y225-L244 HydrophobicContact CE2-CD1 4.37Å; Y225-L244 HydrophobicContact CE2-CG 4.02Å; Y225-L244 HydrophobicContact CG-CB 3.9Å; Y225-L244 HydrophobicContact CG-CD1 3.92Å; Y225-L244 HydrophobicContact CG-CG 4.14Å; Y225-D247 WeakPolarHBondContact CE1-OD2 3.4Å; Y225-D247 VanDerWaalsContact OH-CB 3.29Å; Y225-D247 WeakPolarHBondContact OH-CB 3.15Å; Y225-D247 PolarHBondContact OH-OD2 2.94Å; Y225-D247 VanDerWaalsContact OH-OD2 3.12Å; Y225-K387 HydrophobicContact CE1-CD 3.94Å; Y225-K387 HydrophobicContact CE1-CG 4.5Å; Y225-K387 HydrophobicContact CE2-CD 4.49Å; Y225-L390 HydrophobicContact CD2-CD2 4.48Å; Y225-L390 HydrophobicContact CE2-CD2 3.76Å; Y225-W391 AromaticContact CE2-CZ2 3.74Å; Y225-W391 HydrophobicContact CE2-CZ2 3.74Å; Y225-W391 AromaticContact CZ-NE1 3.92Å; Y225-W391 PolarHBondContact OH-NE1 2.65Å |
| 226 | T | 98.1 | Very high | 95.9 | Very high | 35 Ų | 35 | 64.6 Ų | 64.6 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -86.2 | 124.5 | 164.7 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | K222 W228 R231 | K222-T226 WeakPolarHBondContact O-CB 3.47Å; K222-T226 PolarHBondContact O-N 3.32Å; K222-T226 PolarHBondContact O-OG1 3.4Å; T226-W228 HydrophobicContact CG2-CD2 3.79Å; T226-W228 HydrophobicContact CG2-CE3 3.97Å; T226-W228 HydrophobicContact CG2-CG 4.35Å; T226-W228 HydrophobicContact CG2-CH2 4.02Å; T226-W228 HydrophobicContact CG2-CZ2 3.82Å; T226-W228 HydrophobicContact CG2-CZ3 4.09Å; T226-W228 VanDerWaalsContact O-CD1 3.25Å; T226-W228 PolarHBondContact O-N 2.94Å; T226-W228 VanDerWaalsContact O-N 3.13Å; T226-R231 HydrophobicContact CG2-CB 4.14Å |
| 227 | D | 97.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | trans | -74.1 | 100.2 | 164.5 | -174.9 | -17.9 | 0 | 0 | 0 | 108.9 | A229 D230 R231 T236 | D227-A229 PolarHBondContact O-N 3.15Å; D227-A229 WeakPolarHBondContact OD1-CA 3.35Å; D227-A229 WeakPolarHBondContact OD1-CB 3.45Å; D227-A229 PolarHBondContact OD1-N 3.15Å; D227-D230 CarbonylContact O-C 3.55Å; D227-D230 PolarHBondContact O-N 2.56Å; D227-D230 PolarHBondContact OD1-N 3.46Å; D227-R231 WeakPolarHBondContact O-CA 3.3Å; D227-R231 VanDerWaalsContact O-CB 3.31Å; D227-R231 WeakPolarHBondContact O-CB 3.46Å; D227-R231 PolarHBondContact O-N 3.09Å; D227-T236 HydrophobicContact CB-CG2 3.51Å | ||
| 228 | W | 97.4 | Very high | 96.5 | Very high | 141 Ų | 141 | 63 Ų | 63 | 53% | 0.534 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.5 | -179.2 | -65.5 | 101.8 | 0 | 0 | 0 | 114.4 | F223 T226 | F223-W228 HydrophobicContact CB-CZ2 4.49Å; F223-W228 AromaticContact CD2-CE2 3.7Å; F223-W228 AromaticContact CD2-CZ2 3.47Å; F223-W228 HydrophobicContact CD2-CZ2 3.47Å; F223-W228 VanDerWaalsContact CD2-CZ2 3.47Å; F223-W228 AromaticContact CD2-NE1 3.64Å; F223-W228 AromaticContact CE2-CE2 3.81Å; F223-W228 AromaticContact CE2-CZ2 3.98Å; F223-W228 HydrophobicContact CE2-CZ2 3.98Å; F223-W228 AromaticContact CE2-NE1 3.6Å; F223-W228 HydrophobicContact CG-CZ2 4.27Å; F223-W228 PolarHBondContact O-NE1 3.34Å; T226-W228 HydrophobicContact CG2-CD2 3.79Å; T226-W228 HydrophobicContact CG2-CE3 3.97Å; T226-W228 HydrophobicContact CG2-CG 4.35Å; T226-W228 HydrophobicContact CG2-CH2 4.02Å; T226-W228 HydrophobicContact CG2-CZ2 3.82Å; T226-W228 HydrophobicContact CG2-CZ3 4.09Å; T226-W228 VanDerWaalsContact O-CD1 3.25Å; T226-W228 PolarHBondContact O-N 2.94Å; T226-W228 VanDerWaalsContact O-N 3.13Å |
| 229 | A | 97.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 65.3 Ų | 65.3 | 81% | 0.81 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -29.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D227 | D227-A229 PolarHBondContact O-N 3.15Å; D227-A229 WeakPolarHBondContact OD1-CA 3.35Å; D227-A229 WeakPolarHBondContact OD1-CB 3.45Å; D227-A229 PolarHBondContact OD1-N 3.15Å |
| 230 | D | 96.2 | Very high | 97 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -132.7 | 35.3 | -177.1 | -166 | 27.7 | 0 | 0 | 0 | 113.2 | D227 H232 N233 T236 | D227-D230 CarbonylContact O-C 3.55Å; D227-D230 PolarHBondContact O-N 2.56Å; D227-D230 PolarHBondContact OD1-N 3.46Å; D230-H232 PolarHBondContact O-N 3.18Å; D230-N233 VanDerWaalsContact CG-CB 3.42Å; D230-N233 WeakPolarHBondContact O-CB 3.45Å; D230-N233 PolarHBondContact O-N 2.72Å; D230-N233 WeakPolarHBondContact OD1-CB 3.26Å; D230-N233 WeakPolarHBondContact OD2-CB 3.48Å; D230-N233 PolarHBondContact OD2-ND2 2.92Å; D230-T236 PolarHBondContact OD2-OG1 2.85Å |
| 231 | R | 94.5 | Very high | 97.1 | Very high | 132 Ų | 132 | 60.3 Ų | 60.3 | 50% | 0.498 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19.9 | -166.9 | 72.8 | -177.1 | -175 | -142.1 | -1.9 | 116.4 | T226 D227 | T226-R231 HydrophobicContact CG2-CB 4.14Å; D227-R231 WeakPolarHBondContact O-CA 3.3Å; D227-R231 VanDerWaalsContact O-CB 3.31Å; D227-R231 WeakPolarHBondContact O-CB 3.46Å; D227-R231 PolarHBondContact O-N 3.09Å |
| 232 | H | 94.8 | Very high | 97.1 | Very high | 157 Ų | 157 | 60.9 Ų | 60.9 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -14.9 | -177.5 | -65.3 | -57.2 | 0 | 0 | 0 | 112.6 | D230 P234 R237 | D230-H232 PolarHBondContact O-N 3.18Å; H232-P234 WeakPolarHBondContact O-CD 3.47Å; H232-R237 PolarHBondContact O-NH2 2.75Å |
| 233 | N | 97.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | trans | -71.8 | 122.6 | -176.3 | -174.6 | -20 | 0 | 0 | 0 | 111.9 | D230 E235 T236 R237 | D230-N233 VanDerWaalsContact CG-CB 3.42Å; D230-N233 WeakPolarHBondContact O-CB 3.45Å; D230-N233 PolarHBondContact O-N 2.72Å; D230-N233 WeakPolarHBondContact OD1-CB 3.26Å; D230-N233 WeakPolarHBondContact OD2-CB 3.48Å; D230-N233 PolarHBondContact OD2-ND2 2.92Å; N233-E235 WeakPolarHBondContact OD1-CB 3.43Å; N233-E235 PolarHBondContact OD1-N 3.16Å; N233-T236 VanDerWaalsContact CG-OG1 3.29Å; N233-T236 PolarHBondContact ND2-OG1 2.76Å; N233-T236 VanDerWaalsContact ND2-OG1 3.15Å; N233-T236 PolarHBondContact OD1-N 2.57Å; N233-R237 PolarHBondContact O-N 2.02Å; N233-R237 PolarHBondContact O-NE 3.23Å; N233-R237 VanDerWaalsContact O-NE 3.08Å | ||
| 234 | P | 97 | Very high | 97.2 | Very high | 46 Ų | 46 | 54.5 Ų | 54.5 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.8 | -19.7 | 32.1 | 0 | 0 | 0 | 113.9 | G190 V191 H232 R237 R238 | G190-P234 VanDerWaalsContact CA-CB 3.49Å; V191-P234 PolarHBondContact N-O 2.65Å; V191-P234 VanDerWaalsContact N-O 3.11Å; H232-P234 WeakPolarHBondContact O-CD 3.47Å; P234-R237 PolarHBondContact O-N 3.09Å; P234-R238 PolarHBondContact O-N 3.47Å |
| 235 | E | 96.7 | Very high | 97.2 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 42% | 0.416 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 178.6 | -67.5 | -175.2 | -139.6 | 0 | 0 | 111.5 | N233 R237 R238 K239 | N233-E235 WeakPolarHBondContact OD1-CB 3.43Å; N233-E235 PolarHBondContact OD1-N 3.16Å; E235-R237 VanDerWaalsContact C-N 3.33Å; E235-R238 WeakPolarHBondContact O-CB 3.28Å; E235-R238 PolarHBondContact O-N 3.47Å; E235-K239 WeakPolarHBondContact O-CG 3.31Å; E235-K239 PolarHBondContact O-N 2.84Å |
| 236 | T | 96.9 | Very high | 97.3 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | D227 D230 N233 R238 K239 T240 | D227-T236 HydrophobicContact CB-CG2 3.51Å; D230-T236 PolarHBondContact OD2-OG1 2.85Å; N233-T236 VanDerWaalsContact CG-OG1 3.29Å; N233-T236 PolarHBondContact ND2-OG1 2.76Å; N233-T236 VanDerWaalsContact ND2-OG1 3.15Å; N233-T236 PolarHBondContact OD1-N 2.57Å; T236-R238 PolarHBondContact O-N 2.85Å; T236-K239 PolarHBondContact O-N 2.79Å; T236-T240 WeakPolarHBondContact O-CG2 3.47Å; T236-T240 PolarHBondContact O-N 3.09Å; T236-T240 PolarHBondContact O-OG1 3.16Å |
| 237 | R | 97.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -41 | 171.8 | -78.2 | 174.2 | -76.8 | 152.5 | -9.1 | 113.2 | V191 F196 H232 N233 P234 E235 T240 L241 | V191-R237 VanDerWaalsContact O-CZ 3.3Å; V191-R237 PolarHBondContact O-NH1 2.83Å; F196-R237 HydrophobicContact CD2-CB 4.29Å; H232-R237 PolarHBondContact O-NH2 2.75Å; N233-R237 PolarHBondContact O-N 2.02Å; N233-R237 PolarHBondContact O-NE 3.23Å; N233-R237 VanDerWaalsContact O-NE 3.08Å; P234-R237 PolarHBondContact O-N 3.09Å; E235-R237 VanDerWaalsContact C-N 3.33Å; R237-T240 PolarHBondContact O-N 3.02Å; R237-T240 PolarHBondContact O-OG1 3.19Å; R237-L241 VanDerWaalsContact O-CB 3.27Å; R237-L241 WeakPolarHBondContact O-CB 3.49Å; R237-L241 PolarHBondContact O-N 3.49Å |
| 238 | R | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 172.7 | -172.3 | -161.9 | 75.5 | -134.5 | 3 | 111.3 | V181 V185 N189 V191 P234 E235 T236 L241 L242 W285 | V181-R238 HydrophobicContact CG2-CG 4.35Å; V185-R238 HydrophobicContact CG2-CG 3.66Å; N189-R238 WeakPolarHBondContact O-CD 3.49Å; N189-R238 PolarHBondContact O-NH1 2.93Å; V191-R238 HydrophobicContact CB-CB 4.28Å; V191-R238 HydrophobicContact CG2-CB 3.74Å; V191-R238 HydrophobicContact CG2-CG 3.86Å; P234-R238 PolarHBondContact O-N 3.47Å; E235-R238 WeakPolarHBondContact O-CB 3.28Å; E235-R238 PolarHBondContact O-N 3.47Å; T236-R238 PolarHBondContact O-N 2.85Å; R238-L241 PolarHBondContact O-N 3.1Å; R238-L242 WeakPolarHBondContact O-CB 3.48Å; R238-L242 PolarHBondContact O-N 3.08Å; R238-W285 VanDerWaalsContact NH2-CE3 3.3Å; R238-W285 PolarHBondContact NH2-O 3.23Å |
| 239 | K | 97.4 | Very high | 97.4 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | 179.2 | -72.5 | 169.7 | -178.1 | 165.8 | 0 | 111.9 | E235 T236 A243 | E235-K239 WeakPolarHBondContact O-CG 3.31Å; E235-K239 PolarHBondContact O-N 2.84Å; T236-K239 PolarHBondContact O-N 2.79Å; K239-A243 WeakPolarHBondContact O-CB 3.4Å; K239-A243 PolarHBondContact O-N 2.69Å |
| 240 | T | 97.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.1 | -30.2 | 179.4 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | Y225 T236 R237 A243 L244 | Y225-T240 WeakPolarHBondContact CD1-O 3.48Å; Y225-T240 WeakPolarHBondContact O-CB 3.45Å; Y225-T240 WeakPolarHBondContact O-CG2 3.43Å; Y225-T240 PolarHBondContact O-OG1 2.97Å; T236-T240 WeakPolarHBondContact O-CG2 3.47Å; T236-T240 PolarHBondContact O-N 3.09Å; T236-T240 PolarHBondContact O-OG1 3.16Å; R237-T240 PolarHBondContact O-N 3.02Å; R237-T240 PolarHBondContact O-OG1 3.19Å; T240-A243 WeakPolarHBondContact O-CB 3.28Å; T240-L244 WeakPolarHBondContact O-CB 3.24Å; T240-L244 PolarHBondContact O-N 3.27Å |
| 241 | L | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.1 | -40.1 | 174.9 | -171 | 60 | 0 | 0 | 0 | 112.7 | F180 V181 I184 V191 F196 A199 V200 R237 R238 A243 L244 F245 | F180-L241 HydrophobicContact CD1-CG 4.4Å; F180-L241 HydrophobicContact CE1-CD1 3.7Å; F180-L241 HydrophobicContact CE1-CG 3.77Å; F180-L241 HydrophobicContact CZ-CD1 4.28Å; V181-L241 HydrophobicContact CG1-CB 4.03Å; V181-L241 HydrophobicContact CG1-CD2 4.06Å; V181-L241 HydrophobicContact CG1-CG 3.85Å; I184-L241 HydrophobicContact CD1-CD2 3.46Å; I184-L241 VanDerWaalsContact CD1-CD2 3.46Å; V191-L241 HydrophobicContact CG1-CD2 4.07Å; F196-L241 HydrophobicContact CD2-CB 3.93Å; F196-L241 HydrophobicContact CD2-CD1 4.16Å; F196-L241 HydrophobicContact CD2-CD2 4.3Å; F196-L241 HydrophobicContact CD2-CG 4.37Å; F196-L241 HydrophobicContact CE2-CB 4.04Å; F196-L241 HydrophobicContact CE2-CD1 4.27Å; A199-L241 HydrophobicContact CB-CD1 3.96Å; A199-L241 HydrophobicContact CB-CD2 3.82Å; A199-L241 HydrophobicContact CB-CG 4.44Å; V200-L241 HydrophobicContact CG2-CD1 3.91Å; R237-L241 VanDerWaalsContact O-CB 3.27Å; R237-L241 WeakPolarHBondContact O-CB 3.49Å; R237-L241 PolarHBondContact O-N 3.49Å; R238-L241 PolarHBondContact O-N 3.1Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-L244 WeakPolarHBondContact O-CB 3.32Å; L241-L244 PolarHBondContact O-N 3.23Å; L241-F245 PolarHBondContact O-N 3.01Å |
| 242 | L | 97.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 170.6 | -175.8 | 158.8 | 0 | 0 | 0 | 110.6 | L178 V181 R238 F245 T246 W285 | L178-L242 HydrophobicContact CD1-CD1 4.32Å; V181-L242 HydrophobicContact CG1-CB 4.01Å; V181-L242 HydrophobicContact CG2-CB 4Å; V181-L242 HydrophobicContact CG2-CD1 3.85Å; V181-L242 HydrophobicContact CG2-CG 4.24Å; R238-L242 WeakPolarHBondContact O-CB 3.48Å; R238-L242 PolarHBondContact O-N 3.08Å; L242-F245 PolarHBondContact O-N 3.23Å; L242-T246 WeakPolarHBondContact O-CB 3.03Å; L242-T246 PolarHBondContact O-N 3.04Å; L242-T246 PolarHBondContact O-OG1 2.85Å; L242-W285 HydrophobicContact CD1-CZ3 4.06Å |
| 243 | A | 98.4 | Very high | 98 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 11% | 0.107 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y225 K239 T240 L241 F245 T246 D247 R384 | Y225-A243 HydrophobicContact CE1-CB 4.47Å; K239-A243 WeakPolarHBondContact O-CB 3.4Å; K239-A243 PolarHBondContact O-N 2.69Å; T240-A243 WeakPolarHBondContact O-CB 3.28Å; L241-A243 VanDerWaalsContact C-N 3.33Å; A243-F245 PolarHBondContact O-N 2.82Å; A243-T246 PolarHBondContact O-N 2.89Å; A243-D247 WeakPolarHBondContact O-CB 3.2Å; A243-D247 PolarHBondContact O-N 2.99Å; A243-D247 VanDerWaalsContact O-OD2 3.13Å; A243-R384 VanDerWaalsContact CB-NH2 3.29Å |
| 244 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.3 | -49.6 | 178.6 | -179.2 | 162.8 | 0 | 0 | 0 | 111.9 | V200 F203 I221 Y225 T240 L241 D247 H248 W391 | V200-L244 HydrophobicContact CG1-CD1 4.32Å; V200-L244 HydrophobicContact CG2-CD1 3.74Å; F203-L244 HydrophobicContact CD1-CD2 3.52Å; F203-L244 HydrophobicContact CE1-CD2 3.54Å; F203-L244 HydrophobicContact CG-CD2 4.02Å; F203-L244 HydrophobicContact CZ-CD2 4.07Å; I221-L244 HydrophobicContact CG2-CD1 3.66Å; I221-L244 HydrophobicContact CG2-CG 4.37Å; Y225-L244 HydrophobicContact CD1-CB 3.73Å; Y225-L244 HydrophobicContact CD1-CG 4.42Å; Y225-L244 HydrophobicContact CD2-CB 4.16Å; Y225-L244 HydrophobicContact CD2-CD1 3.8Å; Y225-L244 HydrophobicContact CD2-CG 3.94Å; Y225-L244 VanDerWaalsContact CE1-CA 3.46Å; Y225-L244 HydrophobicContact CE1-CB 3.84Å; Y225-L244 HydrophobicContact CE2-CB 4.25Å; Y225-L244 HydrophobicContact CE2-CD1 4.37Å; Y225-L244 HydrophobicContact CE2-CG 4.02Å; Y225-L244 HydrophobicContact CG-CB 3.9Å; Y225-L244 HydrophobicContact CG-CD1 3.92Å; Y225-L244 HydrophobicContact CG-CG 4.14Å; T240-L244 WeakPolarHBondContact O-CB 3.24Å; T240-L244 PolarHBondContact O-N 3.27Å; L241-L244 WeakPolarHBondContact O-CB 3.32Å; L241-L244 PolarHBondContact O-N 3.23Å; L244-D247 PolarHBondContact O-N 2.82Å; L244-H248 PolarHBondContact O-N 2.88Å; L244-H248 VanDerWaalsContact O-N 3.1Å; L244-W391 HydrophobicContact CD2-CZ2 4.43Å; L244-W391 HydrophobicContact CG-CZ2 4.17Å |
| 245 | F | 98 | Very high | 98.1 | Very high | 13 Ų | 13 | 18.2 Ų | 18.2 | 6% | 0.057 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 179.7 | -164.2 | -103.4 | 0 | 0 | 0 | 112 | W88 Y137 F180 F203 L241 L242 A243 Q249 W250 | W88-F245 HydrophobicContact CH2-CE1 4.16Å; W88-F245 HydrophobicContact CH2-CZ 4.25Å; W88-F245 HydrophobicContact CZ3-CE1 4.32Å; W88-F245 HydrophobicContact CZ3-CZ 4.02Å; Y137-F245 AromaticContact CD1-CE2 3.6Å; Y137-F245 HydrophobicContact CD1-CE2 3.6Å; Y137-F245 AromaticContact CD1-CZ 3.68Å; Y137-F245 HydrophobicContact CD1-CZ 3.68Å; Y137-F245 HydrophobicContact CE1-CD2 4.46Å; Y137-F245 AromaticContact CE1-CE2 3.32Å; Y137-F245 HydrophobicContact CE1-CE2 3.32Å; Y137-F245 AromaticContact CE1-CZ 3.65Å; Y137-F245 HydrophobicContact CE1-CZ 3.65Å; Y137-F245 HydrophobicContact CG-CE2 4.35Å; Y137-F245 AromaticContact CZ-CE2 3.87Å; F180-F245 HydrophobicContact CB-CB 4.02Å; F180-F245 HydrophobicContact CB-CD1 3.48Å; F180-F245 VanDerWaalsContact CB-CD1 3.48Å; F180-F245 HydrophobicContact CB-CD2 4.07Å; F180-F245 HydrophobicContact CB-CE1 3.93Å; F180-F245 HydrophobicContact CB-CE2 4.47Å; F180-F245 HydrophobicContact CB-CG 3.58Å; F180-F245 HydrophobicContact CB-CZ 4.4Å; F180-F245 HydrophobicContact CD1-CB 3.37Å; F180-F245 HydrophobicContact CD1-CD1 4.45Å; F180-F245 AromaticContact CD1-CD2 3.96Å; F180-F245 HydrophobicContact CD1-CD2 3.96Å; F180-F245 AromaticContact CD1-CG 3.69Å; F180-F245 HydrophobicContact CD1-CG 3.69Å; F180-F245 HydrophobicContact CD2-CB 4.5Å; F180-F245 HydrophobicContact CD2-CD1 4.5Å; F180-F245 AromaticContact CD2-CD2 3.55Å; F180-F245 HydrophobicContact CD2-CD2 3.55Å; F180-F245 AromaticContact CD2-CE2 3.82Å; F180-F245 HydrophobicContact CD2-CE2 3.82Å; F180-F245 AromaticContact CD2-CG 3.94Å; F180-F245 HydrophobicContact CD2-CG 3.94Å; F180-F245 HydrophobicContact CD2-CZ 4.4Å; F180-F245 HydrophobicContact CE1-CB 3.86Å; F180-F245 HydrophobicContact CE1-CD2 4.23Å; F180-F245 HydrophobicContact CE1-CG 4.3Å; F180-F245 AromaticContact CE2-CD2 3.89Å; F180-F245 HydrophobicContact CE2-CD2 3.89Å; F180-F245 HydrophobicContact CE2-CE2 4.28Å; F180-F245 HydrophobicContact CG-CB 3.73Å; F180-F245 AromaticContact CG-CD1 3.94Å; F180-F245 HydrophobicContact CG-CD1 3.94Å; F180-F245 AromaticContact CG-CD2 3.59Å; F180-F245 HydrophobicContact CG-CD2 3.59Å; F180-F245 HydrophobicContact CG-CE1 4.48Å; F180-F245 HydrophobicContact CG-CE2 4.19Å; F180-F245 AromaticContact CG-CG 3.47Å; F180-F245 HydrophobicContact CG-CG 3.47Å; F180-F245 VanDerWaalsContact CG-CG 3.47Å; F180-F245 HydrophobicContact CZ-CD2 4.2Å; F203-F245 AromaticContact CD2-CD2 3.65Å; F203-F245 HydrophobicContact CD2-CD2 3.65Å; F203-F245 AromaticContact CD2-CE2 3.9Å; F203-F245 HydrophobicContact CD2-CE2 3.9Å; F203-F245 AromaticContact CE2-CD2 3.35Å; F203-F245 HydrophobicContact CE2-CD2 3.35Å; F203-F245 AromaticContact CE2-CE2 3.58Å; F203-F245 HydrophobicContact CE2-CE2 3.58Å; F203-F245 HydrophobicContact CZ-CD2 4.33Å; L241-F245 PolarHBondContact O-N 3.01Å; L242-F245 PolarHBondContact O-N 3.23Å; A243-F245 PolarHBondContact O-N 2.82Å; F245-Q249 HydrophobicContact CD1-CG 4.28Å; F245-Q249 HydrophobicContact CD2-CG 4.13Å; F245-Q249 HydrophobicContact CE1-CG 3.98Å; F245-Q249 HydrophobicContact CE2-CG 3.79Å; F245-Q249 HydrophobicContact CG-CG 4.35Å; F245-Q249 HydrophobicContact CZ-CG 3.72Å; F245-Q249 WeakPolarHBondContact O-CB 3.22Å; F245-Q249 WeakPolarHBondContact O-CG 3.12Å; F245-Q249 PolarHBondContact O-N 3.02Å; F245-W250 HydrophobicContact CD1-CH2 4.17Å; F245-W250 AromaticContact CD1-CZ3 3.63Å; F245-W250 HydrophobicContact CD1-CZ3 3.63Å; F245-W250 AromaticContact CE1-CH2 3.87Å; F245-W250 HydrophobicContact CE1-CH2 3.87Å; F245-W250 AromaticContact CE1-CZ3 3.72Å; F245-W250 HydrophobicContact CE1-CZ3 3.72Å |
| 246 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 173.7 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | E176 G177 L242 A243 W250 V251 | E176-T246 HydrophobicContact CB-CG2 3.93Å; E176-T246 HydrophobicContact CG-CG2 3.9Å; G177-T246 PolarHBondContact N-OG1 2.76Å; L242-T246 WeakPolarHBondContact O-CB 3.03Å; L242-T246 PolarHBondContact O-N 3.04Å; L242-T246 PolarHBondContact O-OG1 2.85Å; A243-T246 PolarHBondContact O-N 2.89Å; T246-W250 PolarHBondContact O-N 2.82Å; T246-W250 VanDerWaalsContact O-N 3.13Å; T246-V251 HydrophobicContact CG2-CG2 3.96Å; T246-V251 PolarHBondContact O-N 2.94Å; T246-V251 VanDerWaalsContact O-N 3.09Å |
| 247 | D | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -65.2 | -44.9 | -175.9 | -75.9 | -32.3 | 0 | 0 | 0 | 111.8 | Y225 A243 L244 V251 A252 R384 K387 | Y225-D247 WeakPolarHBondContact CE1-OD2 3.4Å; Y225-D247 VanDerWaalsContact OH-CB 3.29Å; Y225-D247 WeakPolarHBondContact OH-CB 3.15Å; Y225-D247 PolarHBondContact OH-OD2 2.94Å; Y225-D247 VanDerWaalsContact OH-OD2 3.12Å; A243-D247 WeakPolarHBondContact O-CB 3.2Å; A243-D247 PolarHBondContact O-N 2.99Å; A243-D247 VanDerWaalsContact O-OD2 3.13Å; L244-D247 PolarHBondContact O-N 2.82Å; D247-V251 PolarHBondContact O-N 3.33Å; D247-A252 WeakPolarHBondContact O-CB 3.33Å; D247-A252 PolarHBondContact O-N 3.03Å; D247-R384 VanDerWaalsContact CG-NH2 3.3Å; D247-R384 IonicContact OD1-CZ 2.8Å; D247-R384 VanDerWaalsContact OD1-CZ 3.26Å; D247-R384 IonicContact OD1-NE 3.71Å; D247-R384 PolarHBondContact OD1-NE 3.23Å; D247-R384 IonicContact OD1-NH2 3.88Å; D247-R384 PolarHBondContact OD1-NH2 2.54Å; D247-R384 VanDerWaalsContact OD1-NH2 3.11Å; D247-R384 IonicContact OD2-CZ 2.67Å; D247-R384 IonicContact OD2-NE 2.72Å; D247-R384 IonicContact OD2-NH2 3.54Å; D247-R384 PolarHBondContact OD2-NH2 2.79Å; D247-K387 HydrophobicContact CB-CB 4.43Å |
| 248 | H | 98.5 | Very high | 98.3 | Very high | 31 Ų | 31 | 12 Ų | 12 | 14% | 0.144 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -75.3 | -49 | -179.7 | -175.9 | -84.3 | 0 | 0 | 0 | 113 | F203 Y208 L244 P253 W391 | F203-H248 HydrophobicContact CE1-CB 4.22Å; F203-H248 HydrophobicContact CZ-CB 3.69Å; F203-H248 AromaticContact CZ-CG 3.62Å; F203-H248 AromaticContact CZ-ND1 3.7Å; Y208-H248 AromaticContact CZ-NE2 3.79Å; Y208-H248 PolarHBondContact OH-CD2 2.82Å; Y208-H248 PolarHBondContact OH-NE2 3.12Å; L244-H248 PolarHBondContact O-N 2.88Å; L244-H248 VanDerWaalsContact O-N 3.1Å; H248-P253 WeakPolarHBondContact O-CD 3.31Å; H248-P253 VanDerWaalsContact O-CG 3.28Å; H248-P253 WeakPolarHBondContact O-CG 3.49Å; H248-W391 HydrophobicContact CB-CD2 4.31Å; H248-W391 HydrophobicContact CB-CZ2 4.06Å; H248-W391 AromaticContact CD2-CD2 3.81Å; H248-W391 AromaticContact CD2-CE3 3.56Å; H248-W391 AromaticContact CD2-CZ3 3.78Å |
| 249 | Q | 98.2 | Very high | 98.4 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -79.6 | -23.3 | -170.7 | -65.9 | -58.6 | 107.8 | 0 | 0 | 113.9 | S87 W88 F245 | S87-Q249 PolarHBondContact OG-NE2 2.85Å; W88-Q249 HydrophobicContact CH2-CB 3.59Å; W88-Q249 HydrophobicContact CH2-CG 3.72Å; W88-Q249 HydrophobicContact CZ2-CB 3.65Å; W88-Q249 HydrophobicContact CZ2-CG 4.2Å; W88-Q249 HydrophobicContact CZ3-CB 4.46Å; W88-Q249 HydrophobicContact CZ3-CG 4.14Å; W88-Q249 VanDerWaalsContact CZ3-NE2 3.34Å; F245-Q249 HydrophobicContact CD1-CG 4.28Å; F245-Q249 HydrophobicContact CD2-CG 4.13Å; F245-Q249 HydrophobicContact CE1-CG 3.98Å; F245-Q249 HydrophobicContact CE2-CG 3.79Å; F245-Q249 HydrophobicContact CG-CG 4.35Å; F245-Q249 HydrophobicContact CZ-CG 3.72Å; F245-Q249 WeakPolarHBondContact O-CB 3.22Å; F245-Q249 WeakPolarHBondContact O-CG 3.12Å; F245-Q249 PolarHBondContact O-N 3.02Å |
| 250 | W | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 9.8 Ų | 9.8 | 7% | 0.072 | 6% | 0.055 | C | C | . | . | I | π-helix | trans | -129.2 | -53.5 | -176.7 | -66.9 | -89.4 | 0 | 0 | 0 | 114 | S81 W88 V172 E176 F245 T246 A254 H290 | S81-W250 PolarHBondContact O-NE1 3.48Å; S81-W250 VanDerWaalsContact O-NE1 3.1Å; W88-W250 HydrophobicContact CH2-CE3 4.47Å; W88-W250 AromaticContact CH2-CH2 3.56Å; W88-W250 HydrophobicContact CH2-CH2 3.56Å; W88-W250 AromaticContact CH2-CZ2 3.57Å; W88-W250 HydrophobicContact CH2-CZ2 3.57Å; W88-W250 HydrophobicContact CH2-CZ3 4.01Å; W88-W250 HydrophobicContact CZ2-CD2 4.18Å; W88-W250 AromaticContact CZ2-CE2 3.68Å; W88-W250 HydrophobicContact CZ2-CH2 4.05Å; W88-W250 AromaticContact CZ2-CZ2 3.62Å; W88-W250 HydrophobicContact CZ2-CZ2 3.62Å; W88-W250 HydrophobicContact CZ2-CZ3 4.45Å; V172-W250 HydrophobicContact CG1-CB 4.01Å; E176-W250 HydrophobicContact CB-CD2 3.46Å; E176-W250 VanDerWaalsContact CB-CD2 3.46Å; E176-W250 HydrophobicContact CB-CE3 3.35Å; E176-W250 HydrophobicContact CB-CG 4.05Å; E176-W250 HydrophobicContact CB-CH2 3.87Å; E176-W250 HydrophobicContact CB-CZ2 4.01Å; E176-W250 HydrophobicContact CB-CZ3 3.56Å; E176-W250 HydrophobicContact CG-CB 4Å; E176-W250 HydrophobicContact CG-CD2 3.77Å; E176-W250 HydrophobicContact CG-CE3 4.05Å; E176-W250 HydrophobicContact CG-CG 3.78Å; F245-W250 HydrophobicContact CD1-CH2 4.17Å; F245-W250 AromaticContact CD1-CZ3 3.63Å; F245-W250 HydrophobicContact CD1-CZ3 3.63Å; F245-W250 AromaticContact CE1-CH2 3.87Å; F245-W250 HydrophobicContact CE1-CH2 3.87Å; F245-W250 AromaticContact CE1-CZ3 3.72Å; F245-W250 HydrophobicContact CE1-CZ3 3.72Å; T246-W250 PolarHBondContact O-N 2.82Å; T246-W250 VanDerWaalsContact O-N 3.13Å; W250-A254 WeakPolarHBondContact O-CB 3.38Å; W250-A254 PolarHBondContact O-N 3.45Å; W250-H290 AromaticContact CE2-ND1 3.85Å; W250-H290 HydrophobicContact CZ2-CB 4.37Å; W250-H290 AromaticContact CZ2-ND1 3.91Å; W250-H290 AromaticContact NE1-CE1 3.6Å; W250-H290 AromaticContact NE1-ND1 3.47Å; W250-H290 PolarHBondContact NE1-ND1 3.46Å |
| 251 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -67.5 | -52.3 | -168.6 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | V172 T246 D247 A254 V255 Y383 V388 | V172-V251 HydrophobicContact CG2-CG2 4.2Å; T246-V251 HydrophobicContact CG2-CG2 3.96Å; T246-V251 PolarHBondContact O-N 2.94Å; T246-V251 VanDerWaalsContact O-N 3.09Å; D247-V251 PolarHBondContact O-N 3.33Å; V251-A254 PolarHBondContact O-N 3.43Å; V251-V255 HydrophobicContact CG1-CG2 4.42Å; V251-V255 WeakPolarHBondContact O-CG2 2.96Å; V251-V255 PolarHBondContact O-N 2.86Å; V251-Y383 HydrophobicContact CG1-CD1 3.61Å; V251-Y383 HydrophobicContact CG1-CE1 3.6Å; V251-Y383 HydrophobicContact CG2-CE1 4.11Å; V251-V388 HydrophobicContact CG1-CG2 3.88Å |
| 252 | A | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 9.6 Ų | 9.6 | 3% | 0.025 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | D247 A254 V255 A256 W391 L392 | D247-A252 WeakPolarHBondContact O-CB 3.33Å; D247-A252 PolarHBondContact O-N 3.03Å; A252-A254 PolarHBondContact O-N 3.44Å; A252-V255 PolarHBondContact O-N 3.4Å; A252-A256 WeakPolarHBondContact O-CB 3.46Å; A252-A256 PolarHBondContact O-N 2.87Å; A252-W391 HydrophobicContact CB-CB 3.84Å; A252-W391 HydrophobicContact CB-CG 4.41Å; A252-L392 HydrophobicContact CB-CD2 4.08Å; A252-L392 HydrophobicContact CB-CG 4.23Å |
| 253 | P | 98.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 12 Ų | 12 | 8% | 0.084 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 170.7 | -28.2 | 36 | 0 | 0 | 0 | 113.8 | T83 L85 H248 A256 T257 | T83-P253 HydrophobicContact CG2-CB 4.27Å; T83-P253 WeakPolarHBondContact OG1-CB 3.26Å; L85-P253 HydrophobicContact CB-CB 4.24Å; H248-P253 WeakPolarHBondContact O-CD 3.31Å; H248-P253 VanDerWaalsContact O-CG 3.28Å; H248-P253 WeakPolarHBondContact O-CG 3.49Å; P253-A256 PolarHBondContact O-N 3.4Å; P253-T257 PolarHBondContact O-N 2.95Å; P253-T257 PolarHBondContact O-OG1 2.86Å; P253-T257 VanDerWaalsContact O-OG1 3.11Å |
| 254 | A | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T83 L170 V172 W250 V251 A252 A258 F270 | T83-A254 HydrophobicContact CG2-CB 4.19Å; L170-A254 HydrophobicContact CD1-CB 4.41Å; L170-A254 VanDerWaalsContact CD1-O 3.27Å; L170-A254 WeakPolarHBondContact CD1-O 3.16Å; V172-A254 HydrophobicContact CG1-CB 3.79Å; W250-A254 WeakPolarHBondContact O-CB 3.38Å; W250-A254 PolarHBondContact O-N 3.45Å; V251-A254 PolarHBondContact O-N 3.43Å; A252-A254 PolarHBondContact O-N 3.44Å; A254-A258 WeakPolarHBondContact O-CB 3.28Å; A254-A258 PolarHBondContact O-N 2.97Å; A254-F270 HydrophobicContact CB-CE2 3.98Å; A254-F270 HydrophobicContact CB-CZ 4.07Å |
| 255 | V | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V251 A252 T257 A258 D259 F270 V388 | V251-V255 HydrophobicContact CG1-CG2 4.42Å; V251-V255 WeakPolarHBondContact O-CG2 2.96Å; V251-V255 PolarHBondContact O-N 2.86Å; A252-V255 PolarHBondContact O-N 3.4Å; V255-T257 PolarHBondContact O-N 2.97Å; V255-A258 PolarHBondContact O-N 3.3Å; V255-A258 VanDerWaalsContact O-N 3.1Å; V255-D259 WeakPolarHBondContact CG1-OD2 3.04Å; V255-D259 WeakPolarHBondContact O-CB 3.34Å; V255-D259 PolarHBondContact O-N 2.95Å; V255-F270 HydrophobicContact CG2-CE2 4.15Å; V255-F270 HydrophobicContact CG2-CZ 3.96Å; V255-V388 HydrophobicContact CB-CG1 3.9Å; V255-V388 HydrophobicContact CB-CG2 4.44Å; V255-V388 HydrophobicContact CG1-CG1 3.73Å; V255-V388 HydrophobicContact CG2-CG1 4.46Å; V255-V388 HydrophobicContact CG2-CG2 4.14Å |
| 256 | A | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L85 A252 P253 A258 D259 L260 L392 | L85-A256 HydrophobicContact CD1-CB 4Å; A252-A256 WeakPolarHBondContact O-CB 3.46Å; A252-A256 PolarHBondContact O-N 2.87Å; P253-A256 PolarHBondContact O-N 3.4Å; A256-A258 PolarHBondContact O-N 3.43Å; A256-D259 PolarHBondContact O-N 2.99Å; A256-L260 WeakPolarHBondContact O-CB 3.05Å; A256-L260 VanDerWaalsContact O-CG 3.3Å; A256-L260 WeakPolarHBondContact O-CG 3.42Å; A256-L260 PolarHBondContact O-N 2.99Å; A256-L392 HydrophobicContact CB-CD1 4Å; A256-L392 HydrophobicContact CB-CD2 4.11Å |
| 257 | T | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 173.6 | -63 | 0 | 0 | 0 | 0 | 112.4 | N53 L85 M158 L170 P253 V255 H261 | N53-T257 WeakPolarHBondContact OD1-CG2 3.31Å; L85-T257 WeakPolarHBondContact CD1-OG1 3.47Å; M158-T257 HydrophobicContact CE-CG2 3.92Å; M158-T257 HydrophobicContact SD-CG2 4.13Å; L170-T257 HydrophobicContact CD1-CG2 4Å; P253-T257 PolarHBondContact O-N 2.95Å; P253-T257 PolarHBondContact O-OG1 2.86Å; P253-T257 VanDerWaalsContact O-OG1 3.11Å; V255-T257 PolarHBondContact O-N 2.97Å; T257-H261 WeakPolarHBondContact O-CB 3.24Å; T257-H261 PolarHBondContact O-N 3.45Å |
| 258 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.5 | -40.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L170 A254 V255 A256 S262 T268 F270 Y363 | L170-A258 HydrophobicContact CD1-CB 4.17Å; L170-A258 HydrophobicContact CD2-CB 4.05Å; L170-A258 HydrophobicContact CG-CB 4.45Å; A254-A258 WeakPolarHBondContact O-CB 3.28Å; A254-A258 PolarHBondContact O-N 2.97Å; V255-A258 PolarHBondContact O-N 3.3Å; V255-A258 VanDerWaalsContact O-N 3.1Å; A256-A258 PolarHBondContact O-N 3.43Å; A258-S262 VanDerWaalsContact O-CB 3.24Å; A258-S262 WeakPolarHBondContact O-CB 3.45Å; A258-S262 PolarHBondContact O-N 2.95Å; A258-S262 PolarHBondContact O-OG 2.73Å; A258-T268 HydrophobicContact CB-CG2 4.19Å; A258-F270 HydrophobicContact CB-CD2 3.78Å; A258-F270 HydrophobicContact CB-CE2 4.18Å; A258-Y363 HydrophobicContact CB-CD1 3.84Å; A258-Y363 HydrophobicContact CB-CE1 3.51Å; A258-Y363 HydrophobicContact CB-CE2 4.43Å; A258-Y363 HydrophobicContact CB-CG 4.43Å |
| 259 | D | 98.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 18.3 Ų | 18.3 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.4 | -52.3 | 175.9 | -80.5 | -29.8 | 0 | 0 | 0 | 110.1 | V255 A256 S262 S263 Y363 Q365 Q368 | V255-D259 WeakPolarHBondContact CG1-OD2 3.04Å; V255-D259 WeakPolarHBondContact O-CB 3.34Å; V255-D259 PolarHBondContact O-N 2.95Å; A256-D259 PolarHBondContact O-N 2.99Å; D259-S262 PolarHBondContact O-N 2.93Å; D259-S262 PolarHBondContact O-OG 3.11Å; D259-S263 VanDerWaalsContact O-CB 3.3Å; D259-S263 WeakPolarHBondContact O-CB 3.49Å; D259-S263 PolarHBondContact O-N 3.25Å; D259-Y363 PolarHBondContact OD1-OH 2.93Å; D259-Q365 HydrophobicContact CB-CB 4.41Å; D259-Q365 HydrophobicContact CB-CG 4.19Å; D259-Q365 VanDerWaalsContact OD1-CA 3.25Å; D259-Q365 WeakPolarHBondContact OD1-CA 3.44Å; D259-Q365 WeakPolarHBondContact OD1-CB 3.45Å; D259-Q365 WeakPolarHBondContact OD1-CG 3.12Å; D259-Q368 PolarHBondContact OD1-NE2 3.34Å; D259-Q368 PolarHBondContact OD2-NE2 2.94Å; D259-Q368 VanDerWaalsContact OD2-NE2 3.13Å |
| 260 | L | 97.1 | Very high | 97.5 | Very high | 32 Ų | 32 | 18.2 Ų | 18.2 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.2 | -54.8 | 177.4 | -70.8 | 168.9 | 0 | 0 | 0 | 110.8 | M158 E159 A256 S262 S263 F264 | M158-L260 HydrophobicContact CB-CB 4.36Å; M158-L260 HydrophobicContact CB-CD1 3.64Å; M158-L260 HydrophobicContact SD-CD1 4.49Å; E159-L260 HydrophobicContact CG-CD1 4.48Å; E159-L260 HydrophobicContact CG-CD2 4.23Å; A256-L260 WeakPolarHBondContact O-CB 3.05Å; A256-L260 VanDerWaalsContact O-CG 3.3Å; A256-L260 WeakPolarHBondContact O-CG 3.42Å; A256-L260 PolarHBondContact O-N 2.99Å; L260-S262 VanDerWaalsContact C-N 3.34Å; L260-S262 PolarHBondContact O-N 2.74Å; L260-S263 PolarHBondContact O-N 3.25Å; L260-S263 PolarHBondContact O-OG 3.1Å; L260-F264 WeakPolarHBondContact O-CD2 3.47Å; L260-F264 PolarHBondContact O-N 2.82Å |
| 261 | H | 96.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | -178.8 | -172.7 | -103.2 | 0 | 0 | 0 | 113 | F163 Y166 I168 T257 S266 T268 | F163-H261 AromaticContact CD2-CD2 3.75Å; F163-H261 AromaticContact CE2-CD2 3.35Å; F163-H261 WeakPolarHBondContact CE2-CD2 3.32Å; Y166-H261 PolarHBondContact O-CE1 3.41Å; Y166-H261 VanDerWaalsContact O-CE1 3.23Å; Y166-H261 PolarHBondContact O-NE2 3Å; I168-H261 VanDerWaalsContact CD1-CD2 3.47Å; I168-H261 WeakPolarHBondContact CD1-CD2 3.42Å; I168-H261 VanDerWaalsContact CD1-NE2 3.3Å; I168-H261 WeakPolarHBondContact CD1-NE2 3.08Å; I168-H261 WeakPolarHBondContact CG1-CE1 3.4Å; I168-H261 WeakPolarHBondContact CG1-NE2 3.14Å; T257-H261 WeakPolarHBondContact O-CB 3.24Å; T257-H261 PolarHBondContact O-N 3.45Å; H261-S266 WeakPolarHBondContact CE1-CB 3.33Å; H261-S266 VanDerWaalsContact NE2-CB 3.28Å; H261-S266 WeakPolarHBondContact NE2-CB 3.44Å; H261-S266 WeakPolarHBondContact O-CB 3.31Å; H261-S266 PolarHBondContact O-N 3.33Å; H261-T268 PolarHBondContact ND1-OG1 3.29Å |
| 262 | S | 96.9 | Very high | 97.5 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 11% | 0.112 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.2 | -26.3 | 177.7 | 70.3 | 0 | 0 | 0 | 0 | 113.7 | A258 D259 L260 F264 G265 Q365 | A258-S262 VanDerWaalsContact O-CB 3.24Å; A258-S262 WeakPolarHBondContact O-CB 3.45Å; A258-S262 PolarHBondContact O-N 2.95Å; A258-S262 PolarHBondContact O-OG 2.73Å; D259-S262 PolarHBondContact O-N 2.93Å; D259-S262 PolarHBondContact O-OG 3.11Å; L260-S262 VanDerWaalsContact C-N 3.34Å; L260-S262 PolarHBondContact O-N 2.74Å; S262-F264 VanDerWaalsContact C-N 3.33Å; S262-F264 PolarHBondContact O-N 2.87Å; S262-G265 PolarHBondContact O-N 2.84Å; S262-Q365 PolarHBondContact OG-N 2.84Å |
| 263 | S | 95.8 | Very high | 97.5 | Very high | 62 Ų | 62 | 17.2 Ų | 17.2 | 43% | 0.434 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -67.1 | -31.8 | 178.8 | 77.1 | 0 | 0 | 0 | 0 | 113 | D259 L260 G265 | D259-S263 VanDerWaalsContact O-CB 3.3Å; D259-S263 WeakPolarHBondContact O-CB 3.49Å; D259-S263 PolarHBondContact O-N 3.25Å; L260-S263 PolarHBondContact O-N 3.25Å; L260-S263 PolarHBondContact O-OG 3.1Å; S263-G265 PolarHBondContact O-N 2.77Å |
| 264 | F | 93.4 | Very high | 97.5 | Very high | 96 Ų | 96 | 18.6 Ų | 18.6 | 42% | 0.421 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 4.8 | 171.5 | -70.3 | -81.5 | 0 | 0 | 0 | 113.8 | M158 G161 F163 L260 S262 | M158-F264 WeakPolarHBondContact O-CE2 3.48Å; G161-F264 VanDerWaalsContact CA-CZ 3.42Å; F163-F264 AromaticContact CE1-CD2 3.91Å; F163-F264 HydrophobicContact CE1-CD2 3.91Å; F163-F264 HydrophobicContact CE1-CE2 4.34Å; F163-F264 HydrophobicContact CE2-CB 4.36Å; F163-F264 HydrophobicContact CZ-CB 3.91Å; F163-F264 AromaticContact CZ-CD2 3.6Å; F163-F264 HydrophobicContact CZ-CD2 3.6Å; F163-F264 HydrophobicContact CZ-CE2 4.46Å; F163-F264 AromaticContact CZ-CG 3.98Å; F163-F264 HydrophobicContact CZ-CG 3.98Å; L260-F264 WeakPolarHBondContact O-CD2 3.47Å; L260-F264 PolarHBondContact O-N 2.82Å; S262-F264 VanDerWaalsContact C-N 3.33Å; S262-F264 PolarHBondContact O-N 2.87Å |
| 265 | G | 92.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 19.7 Ų | 19.7 | 62% | 0.619 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S262 S263 | S262-G265 PolarHBondContact O-N 2.84Å; S263-G265 PolarHBondContact O-N 2.77Å |
| 266 | S | 93.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | trans | -75.9 | 140.4 | -179.3 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | N165 H261 T268 | N165-S266 VanDerWaalsContact CG-OG 3.29Å; N165-S266 WeakPolarHBondContact OD1-CA 3.45Å; N165-S266 VanDerWaalsContact OD1-CB 3.23Å; N165-S266 WeakPolarHBondContact OD1-CB 3.33Å; N165-S266 PolarHBondContact OD1-OG 3.01Å; H261-S266 WeakPolarHBondContact CE1-CB 3.33Å; H261-S266 VanDerWaalsContact NE2-CB 3.28Å; H261-S266 WeakPolarHBondContact NE2-CB 3.44Å; H261-S266 WeakPolarHBondContact O-CB 3.31Å; H261-S266 PolarHBondContact O-N 3.33Å; S266-T268 PolarHBondContact O-N 2.94Å; S266-T268 VanDerWaalsContact O-N 3.12Å; S266-T268 PolarHBondContact O-OG1 2.83Å | ||
| 267 | P | 97.6 | Very high | 97 | Very high | 24 Ų | 24 | 21.6 Ų | 21.6 | 16% | 0.156 | 13% | 0.129 | C | C | . | . | trans | -62.5 | 115.9 | -179.5 | -25.3 | 38 | 0 | 0 | 0 | 111.9 | D167 I168 | D167-P267 VanDerWaalsContact OD1-CG 3.31Å; D167-P267 WeakPolarHBondContact OD1-CG 3.32Å; I168-P267 PolarHBondContact N-O 2.91Å | ||
| 268 | T | 98.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.7 | -176 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | I168 L170 A258 H261 S266 R362 Y363 | I168-T268 CarbonylContact O-C 3.53Å; I168-T268 VanDerWaalsContact O-CA 3.31Å; I168-T268 WeakPolarHBondContact O-CA 3.14Å; L170-T268 HydrophobicContact CD2-CG2 3.77Å; A258-T268 HydrophobicContact CB-CG2 4.19Å; H261-T268 PolarHBondContact ND1-OG1 3.29Å; S266-T268 PolarHBondContact O-N 2.94Å; S266-T268 VanDerWaalsContact O-N 3.12Å; S266-T268 PolarHBondContact O-OG1 2.83Å; T268-R362 WeakPolarHBondContact O-CA 3.39Å; T268-Y363 HydrophobicContact CG2-CD1 4.08Å; T268-Y363 HydrophobicContact CG2-CG 4.34Å; T268-Y363 PolarHBondContact O-N 3.42Å |
| 269 | Y | 98.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.4 | 173.7 | -66.7 | -93.9 | 0 | 0 | 0 | 110 | I168 M169 L170 F331 G335 D336 P337 W360 R362 | I168-Y269 PolarHBondContact O-N 3.32Å; M169-Y269 CarbonylContact C-O 3.58Å; M169-Y269 WeakPolarHBondContact CA-O 3.29Å; L170-Y269 PolarHBondContact N-O 2.97Å; Y269-F331 HydrophobicContact CD2-CD2 4.29Å; Y269-F331 AromaticContact CD2-CE2 3.97Å; Y269-F331 HydrophobicContact CD2-CE2 3.97Å; Y269-F331 HydrophobicContact CE2-CE2 4.33Å; Y269-G335 WeakPolarHBondContact CE2-O 2.99Å; Y269-D336 PolarHBondContact OH-OD2 2.88Å; Y269-P337 HydrophobicContact CD1-CG 3.57Å; Y269-P337 HydrophobicContact CE1-CG 3.67Å; Y269-P337 HydrophobicContact CG-CG 4.04Å; Y269-W360 AromaticContact CD1-CD1 3.97Å; Y269-W360 HydrophobicContact CD1-CG 4.25Å; Y269-W360 WeakPolarHBondContact CE1-O 3.44Å; Y269-R362 HydrophobicContact CD1-CG 4.27Å; Y269-R362 HydrophobicContact CE1-CB 4.4Å; Y269-R362 HydrophobicContact CE1-CG 3.55Å; Y269-R362 HydrophobicContact CE2-CG 3.96Å; Y269-R362 WeakPolarHBondContact OH-CG 3.43Å; Y269-R362 PolarHBondContact OH-NE 3.3Å |
| 270 | F | 98.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.9 | 179.9 | -157.7 | -84.7 | 0 | 0 | 0 | 111.5 | L170 V172 A254 V255 A258 W360 Y363 Y370 L371 Y383 | L170-F270 HydrophobicContact CD1-CD2 4.45Å; L170-F270 HydrophobicContact CD1-CE2 4.31Å; L170-F270 HydrophobicContact CD2-CD2 4.39Å; L170-F270 HydrophobicContact CG-CD2 3.95Å; L170-F270 HydrophobicContact CG-CE2 4.19Å; L170-F270 CarbonylContact O-C 3.39Å; L170-F270 VanDerWaalsContact O-CA 3.25Å; L170-F270 WeakPolarHBondContact O-CA 3.35Å; V172-F270 HydrophobicContact CG2-CE1 4.48Å; V172-F270 HydrophobicContact CG2-CZ 4.47Å; A254-F270 HydrophobicContact CB-CE2 3.98Å; A254-F270 HydrophobicContact CB-CZ 4.07Å; V255-F270 HydrophobicContact CG2-CE2 4.15Å; V255-F270 HydrophobicContact CG2-CZ 3.96Å; A258-F270 HydrophobicContact CB-CD2 3.78Å; A258-F270 HydrophobicContact CB-CE2 4.18Å; F270-W360 PolarHBondContact O-NE1 3.36Å; F270-Y363 HydrophobicContact CB-CD2 3.46Å; F270-Y363 VanDerWaalsContact CB-CD2 3.46Å; F270-Y363 HydrophobicContact CB-CE2 4.09Å; F270-Y363 HydrophobicContact CB-CG 4.04Å; F270-Y363 HydrophobicContact CD2-CD2 4.47Å; F270-Y363 HydrophobicContact CD2-CE2 4.4Å; F270-Y363 HydrophobicContact CG-CD2 4.14Å; F270-Y363 HydrophobicContact CG-CE2 4.29Å; F270-Y370 HydrophobicContact CD1-CG 4.44Å; F270-Y370 VanDerWaalsContact O-CA 3.26Å; F270-Y370 WeakPolarHBondContact O-CA 3.43Å; F270-Y370 WeakPolarHBondContact O-CB 3.26Å; F270-L371 PolarHBondContact O-N 3.09Å; F270-Y383 HydrophobicContact CE1-CD1 4.09Å |
| 271 | Y | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 158.5 | 168.9 | 73.6 | -94.1 | 0 | 0 | 0 | 112.9 | Q80 M169 L170 G171 V172 F273 W328 W360 L371 I373 | Q80-Y271 WeakPolarHBondContact CA-OH 3.37Å; Q80-Y271 WeakPolarHBondContact CB-OH 3.46Å; Q80-Y271 WeakPolarHBondContact CG-OH 3.42Å; M169-Y271 HydrophobicContact CG-CD1 4.46Å; L170-Y271 VanDerWaalsContact O-CD1 3.29Å; L170-Y271 WeakPolarHBondContact O-CD1 3.16Å; L170-Y271 PolarHBondContact O-N 3.13Å; G171-Y271 WeakPolarHBondContact CA-O 3.25Å; V172-Y271 PolarHBondContact N-O 3.45Å; Y271-F273 HydrophobicContact CD2-CB 4.23Å; Y271-F273 HydrophobicContact CE2-CB 4.08Å; Y271-W328 AromaticContact CD1-CH2 3.88Å; Y271-W328 HydrophobicContact CD1-CH2 3.88Å; Y271-W328 HydrophobicContact CD1-CZ2 4.39Å; Y271-W328 AromaticContact CE1-CH2 3.73Å; Y271-W328 HydrophobicContact CE1-CH2 3.73Å; Y271-W328 AromaticContact CE1-CZ2 3.81Å; Y271-W328 HydrophobicContact CE1-CZ2 3.81Å; Y271-W328 HydrophobicContact CG-CH2 4.36Å; Y271-W360 AromaticContact CD1-CH2 3.96Å; Y271-W360 HydrophobicContact CD1-CH2 3.96Å; Y271-W360 HydrophobicContact CD1-CZ2 4.19Å; Y271-W360 HydrophobicContact CG-CH2 4.3Å; Y271-W360 HydrophobicContact CG-CZ2 4.41Å; Y271-L371 VanDerWaalsContact CA-O 3.31Å; Y271-L371 WeakPolarHBondContact CA-O 3.43Å; Y271-I373 HydrophobicContact CD2-CD1 3.98Å; Y271-I373 HydrophobicContact CG-CD1 3.85Å |
| 272 | A | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V172 Y274 Y370 L371 I373 Y383 | V172-A272 CarbonylContact O-C 3.57Å; V172-A272 VanDerWaalsContact O-CA 3.29Å; V172-A272 WeakPolarHBondContact O-CA 3.42Å; A272-Y274 HydrophobicContact CB-CD2 4.02Å; A272-Y274 HydrophobicContact CB-CE2 3.73Å; A272-Y370 HydrophobicContact CB-CD2 3.88Å; A272-Y370 HydrophobicContact CB-CE2 3.85Å; A272-L371 PolarHBondContact N-O 3.01Å; A272-I373 PolarHBondContact O-N 3.34Å; A272-Y383 HydrophobicContact CB-CD2 4.03Å; A272-Y383 HydrophobicContact CB-CE1 4.19Å; A272-Y383 HydrophobicContact CB-CE2 3.6Å; A272-Y383 HydrophobicContact CB-CG 4.49Å |
| 273 | F | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.6 | -174 | -151.7 | -100.3 | 0 | 0 | 0 | 110.9 | V172 N173 Q174 Y271 H275 E293 Y296 L320 V324 I373 | V172-F273 PolarHBondContact O-N 3.32Å; N173-F273 CarbonylContact C-O 3.56Å; N173-F273 HydrophobicContact CB-CB 4.45Å; N173-F273 VanDerWaalsContact OD1-CB 3.22Å; N173-F273 WeakPolarHBondContact OD1-CB 3.48Å; Q174-F273 PolarHBondContact N-O 3.17Å; Y271-F273 HydrophobicContact CD2-CB 4.23Å; Y271-F273 HydrophobicContact CE2-CB 4.08Å; F273-H275 WeakPolarHBondContact CD1-O 3.29Å; F273-H275 WeakPolarHBondContact CE1-O 3.11Å; F273-E293 HydrophobicContact CD1-CB 3.89Å; F273-E293 HydrophobicContact CD2-CB 4.02Å; F273-E293 HydrophobicContact CE1-CB 3.9Å; F273-E293 HydrophobicContact CE2-CB 4.04Å; F273-E293 HydrophobicContact CG-CB 3.96Å; F273-E293 HydrophobicContact CZ-CB 3.99Å; F273-Y296 AromaticContact CE1-CD2 3.89Å; F273-Y296 HydrophobicContact CE1-CD2 3.89Å; F273-Y296 HydrophobicContact CE1-CE2 4.18Å; F273-Y296 AromaticContact CZ-CD2 3.66Å; F273-Y296 HydrophobicContact CZ-CD2 3.66Å; F273-Y296 HydrophobicContact CZ-CE2 4.31Å; F273-Y296 AromaticContact CZ-CG 3.88Å; F273-Y296 HydrophobicContact CZ-CG 3.88Å; F273-L320 HydrophobicContact CZ-CD2 4.28Å; F273-V324 HydrophobicContact CE2-CG2 3.99Å; F273-I373 HydrophobicContact CD2-CB 3.83Å; F273-I373 HydrophobicContact CD2-CD1 4.31Å; F273-I373 HydrophobicContact CD2-CG2 3.59Å; F273-I373 HydrophobicContact CE2-CB 4.29Å; F273-I373 HydrophobicContact CE2-CG2 3.51Å; F273-I373 HydrophobicContact CZ-CG2 4.49Å |
| 274 | Y | 98.5 | Very high | 92.9 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | -125.7 | 38.4 | -168.9 | -89.1 | -104.4 | 0 | 0 | 0 | 111 | Q174 A272 H372 I373 Y383 | Q174-Y274 HydrophobicContact CB-CD1 4.03Å; Q174-Y274 HydrophobicContact CB-CD2 4.23Å; Q174-Y274 HydrophobicContact CB-CE1 4.07Å; Q174-Y274 HydrophobicContact CB-CE2 4.25Å; Q174-Y274 HydrophobicContact CB-CG 4.11Å; Q174-Y274 HydrophobicContact CG-CD1 3.8Å; Q174-Y274 HydrophobicContact CG-CE1 3.53Å; Q174-Y274 HydrophobicContact CG-CE2 4.47Å; Q174-Y274 HydrophobicContact CG-CG 4.4Å; A272-Y274 HydrophobicContact CB-CD2 4.02Å; A272-Y274 HydrophobicContact CB-CE2 3.73Å; Y274-H372 WeakPolarHBondContact CB-CE1 3.33Å; Y274-H372 AromaticContact CD1-CE1 3.46Å; Y274-H372 VanDerWaalsContact CD1-CE1 3.46Å; Y274-H372 WeakPolarHBondContact CD1-CE1 3.4Å; Y274-H372 AromaticContact CD1-ND1 3.94Å; Y274-H372 AromaticContact CD2-CE1 3.71Å; Y274-H372 AromaticContact CD2-ND1 3.38Å; Y274-H372 WeakPolarHBondContact CD2-ND1 3.5Å; Y274-H372 AromaticContact CE2-ND1 3.87Å; Y274-H372 AromaticContact CG-CE1 3.22Å; Y274-H372 AromaticContact CG-ND1 3.42Å; Y274-I373 PolarHBondContact N-O 2.94Å; Y274-Y383 AromaticContact CE2-CE2 3.79Å; Y274-Y383 HydrophobicContact CE2-CE2 3.79Å; Y274-Y383 WeakPolarHBondContact OH-CE2 3.38Å | ||
| 275 | H | 98 | Very high | 92.8 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | trans | -153.8 | 148.2 | 179.8 | -173.3 | 79.1 | 0 | 0 | 0 | 109.7 | F273 A288 Y296 D317 L320 | F273-H275 WeakPolarHBondContact CD1-O 3.29Å; F273-H275 WeakPolarHBondContact CE1-O 3.11Å; H275-A288 WeakPolarHBondContact O-CB 3.31Å; H275-Y296 AromaticContact CD2-CE1 3.82Å; H275-Y296 AromaticContact CD2-CZ 3.56Å; H275-Y296 PolarHBondContact CD2-OH 3.02Å; H275-Y296 VanDerWaalsContact CD2-OH 3.25Å; H275-Y296 AromaticContact NE2-CZ 3.92Å; H275-Y296 PolarHBondContact NE2-OH 2.98Å; H275-D317 IonicContact CD2-OD1 2.71Å; H275-D317 IonicContact CE1-OD1 3.23Å; H275-D317 IonicContact NE2-OD1 3.8Å; H275-D317 PolarHBondContact NE2-OD1 2.74Å; H275-L320 HydrophobicContact CB-CD2 3.65Å; H275-L320 WeakPolarHBondContact CD2-CD2 3.35Å; H275-L320 VanDerWaalsContact CG-CD2 3.5Å | ||
| 276 | H | 96 | Very high | 92.9 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | trans | -154.7 | 166.8 | 174.1 | 69.3 | 123.2 | 0 | 0 | 0 | 109.5 | A286 A288 D292 | H276-A286 PolarHBondContact NE2-O 3.14Å; H276-A288 HydrophobicContact CB-CB 4.05Å; H276-D292 HydrophobicContact CB-CB 3.87Å; H276-D292 VanDerWaalsContact CB-OD2 3.31Å; H276-D292 WeakPolarHBondContact CB-OD2 3.42Å; H276-D292 IonicContact CG-OD2 2.68Å; H276-D292 IonicContact ND1-OD2 3.67Å | ||
| 277 | C | 92.3 | Very high | 93 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | trans | -96.9 | 124.5 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | Y296 C311 F313 | C277-Y296 WeakPolarHBondContact CB-OH 3.27Å; C277-Y296 PolarHBondContact N-OH 2.92Å; C277-Y296 VanDerWaalsContact N-OH 3.09Å; C277-C311 HydrophobicContact CB-CB 3.82Å; C277-C311 WeakPolarHBondContact CB-SG 3.3Å; C277-C311 PolarHBondContact O-SG 3.33Å; C277-C311 VanDerWaalsContact O-SG 3.39Å; C277-C311 WeakPolarHBondContact SG-CB 3.35Å; C277-C311 CovalentContact SG-SG 2.02Å; C277-C311 PolarHBondContact SG-SG 2.74Å; C277-F313 HydrophobicContact CB-CD1 3.78Å; C277-F313 HydrophobicContact CB-CE1 3.69Å; C277-F313 WeakPolarHBondContact SG-CD1 3.26Å | ||
| 278 | Q | 81.8 | Confident | 93 | Very high | 112 Ų | 112 | 44.2 Ų | 44.2 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | trans | -80.1 | 125.4 | -175.2 | -168.8 | 173.1 | 0.7 | 0 | 0 | 111.3 | C311 | Q278-C311 PolarHBondContact O-SG 3.38Š| ||
| 279 | T | 83.9 | Confident | 92.9 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 24% | 0.239 | 23% | 0.228 | C | C | . | . | trans | -111.3 | 163 | 174.8 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | Q281 V282 C311 | T279-Q281 PolarHBondContact O-N 3Å; T279-Q281 PolarHBondContact OG1-N 2.99Å; T279-V282 PolarHBondContact O-N 2.9Å; T279-V282 WeakPolarHBondContact OG1-CG2 3.45Å; T279-V282 PolarHBondContact OG1-N 3.26Å; T279-C311 HydrophobicContact CG2-CB 3.67Å | ||
| 280 | E | 82 | Confident | 92.9 | Very high | 207 Ų | 207 | 48.4 Ų | 48.4 | 97% | 0.967 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.6 | 173.8 | -62.3 | -176.3 | 169.3 | 0 | 0 | 113.4 | ||
| 281 | Q | 83 | Confident | 92.7 | Very high | 169 Ų | 169 | 49 Ų | 49 | 79% | 0.79 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -15.8 | 179.6 | -63 | -177.5 | -0.4 | 0 | 0 | 113.2 | T279 | T279-Q281 PolarHBondContact O-N 3Å; T279-Q281 PolarHBondContact OG1-N 2.99Å |
| 282 | V | 85.6 | Confident | 92.7 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -101 | 126.9 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | L178 T279 A286 | L178-V282 HydrophobicContact CD2-CG1 4.31Å; T279-V282 PolarHBondContact O-N 2.9Å; T279-V282 WeakPolarHBondContact OG1-CG2 3.45Å; T279-V282 PolarHBondContact OG1-N 3.26Å; V282-A286 HydrophobicContact CG1-CB 3.73Å |
| 283 | P | 90.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | trans | -55.8 | 138.1 | -179.2 | -26.7 | 34.6 | 0 | 0 | 0 | 112.4 | W285 A286 | P283-W285 HydrophobicContact CB-CD2 3.92Å; P283-W285 HydrophobicContact CB-CG 4.21Å; P283-W285 HydrophobicContact CB-CH2 4.45Å; P283-W285 HydrophobicContact CB-CZ2 3.69Å; P283-W285 VanDerWaalsContact CB-NE1 3.35Å; P283-W285 HydrophobicContact CG-CH2 4.44Å; P283-W285 HydrophobicContact CG-CZ2 3.85Å; P283-W285 PolarHBondContact O-N 3.08Å; P283-A286 WeakPolarHBondContact O-CB 3.31Å; P283-A286 PolarHBondContact O-N 2.97Å | ||
| 284 | P | 89.9 | Confident | 92.6 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.2 | -173.6 | -26 | 35.1 | 0 | 0 | 0 | 116.6 | ||
| 285 | W | 91.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 16% | 0.163 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6.2 | 179.1 | 57.9 | -109.5 | 0 | 0 | 0 | 113.9 | L178 V181 V185 N189 R238 L242 P283 | L178-W285 HydrophobicContact CD1-CH2 3.48Å; L178-W285 VanDerWaalsContact CD1-CH2 3.48Å; L178-W285 HydrophobicContact CD1-CZ3 3.51Å; V181-W285 HydrophobicContact CG2-CH2 4.06Å; V181-W285 HydrophobicContact CG2-CZ3 4.45Å; V185-W285 HydrophobicContact CB-CZ2 4.4Å; V185-W285 HydrophobicContact CG1-CZ2 4.1Å; V185-W285 HydrophobicContact CG2-CH2 4.22Å; V185-W285 HydrophobicContact CG2-CZ2 3.93Å; N189-W285 HydrophobicContact CB-CG 4.44Å; N189-W285 PolarHBondContact OD1-NE1 3.45Å; R238-W285 VanDerWaalsContact NH2-CE3 3.3Å; R238-W285 PolarHBondContact NH2-O 3.23Å; L242-W285 HydrophobicContact CD1-CZ3 4.06Å; P283-W285 HydrophobicContact CB-CD2 3.92Å; P283-W285 HydrophobicContact CB-CG 4.21Å; P283-W285 HydrophobicContact CB-CH2 4.45Å; P283-W285 HydrophobicContact CB-CZ2 3.69Å; P283-W285 VanDerWaalsContact CB-NE1 3.35Å; P283-W285 HydrophobicContact CG-CH2 4.44Å; P283-W285 HydrophobicContact CG-CZ2 3.85Å; P283-W285 PolarHBondContact O-N 3.08Å |
| 286 | A | 94.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -72.4 | 139.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L178 H276 V282 P283 | L178-A286 HydrophobicContact CD1-CB 3.8Å; L178-A286 HydrophobicContact CD2-CB 4.07Å; H276-A286 PolarHBondContact NE2-O 3.14Å; V282-A286 HydrophobicContact CG1-CB 3.73Å; P283-A286 WeakPolarHBondContact O-CB 3.31Å; P283-A286 PolarHBondContact O-N 2.97Å | ||
| 287 | D | 95.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | trans | -83.1 | -176.3 | 164.7 | -62.8 | -59.5 | 0 | 0 | 0 | 109.8 | Q174 A289 | Q174-D287 HydrophobicContact CB-CB 4.17Å; Q174-D287 VanDerWaalsContact CD-CB 3.49Å; Q174-D287 HydrophobicContact CG-CB 3.8Å; Q174-D287 PolarHBondContact NE2-OD1 2.84Å; Q174-D287 PolarHBondContact NE2-OD2 2.66Å; Q174-D287 VanDerWaalsContact NE2-OD2 3.07Å; D287-A289 PolarHBondContact O-N 3.33Å; D287-A289 VanDerWaalsContact O-N 3.09Å | ||
| 288 | A | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -57.4 | 114.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N173 G175 H275 H276 D292 | N173-A288 HydrophobicContact CB-CB 4.37Å; G175-A288 CarbonylContact C-O 3.5Å; G175-A288 WeakPolarHBondContact CA-O 3.29Å; G175-A288 PolarHBondContact N-O 2.83Å; H275-A288 WeakPolarHBondContact O-CB 3.31Å; H276-A288 HydrophobicContact CB-CB 4.05Å; A288-D292 HydrophobicContact CB-CB 4.47Å |
| 289 | A | 96.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | trans | -91.1 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N173 L178 D287 G291 D292 | N173-A289 PolarHBondContact ND2-O 3.38Å; L178-A289 HydrophobicContact CB-CB 3.92Å; L178-A289 HydrophobicContact CD2-CB 3.73Å; L178-A289 HydrophobicContact CG-CB 4.48Å; D287-A289 PolarHBondContact O-N 3.33Å; D287-A289 VanDerWaalsContact O-N 3.09Å; A289-G291 PolarHBondContact O-N 3.26Å; A289-D292 PolarHBondContact N-OD2 2.98Å; A289-D292 WeakPolarHBondContact O-CB 3.16Å; A289-D292 PolarHBondContact O-N 2.96Å | ||
| 290 | H | 97.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 120.4 | -179.6 | -170.7 | 60.5 | 0 | 0 | 0 | 112.2 | S81 E176 W250 | S81-H290 PolarHBondContact O-CE1 3.03Å; S81-H290 VanDerWaalsContact O-CE1 3.31Å; E176-H290 VanDerWaalsContact OE2-CA 3.28Å; E176-H290 WeakPolarHBondContact OE2-CA 3.42Å; E176-H290 WeakPolarHBondContact OE2-CB 3.48Å; E176-H290 IonicContact OE2-CE1 2.68Å; E176-H290 IonicContact OE2-CG 3.92Å; E176-H290 IonicContact OE2-ND1 2.65Å; E176-H290 PolarHBondContact OE2-ND1 3.5Å; W250-H290 AromaticContact CE2-ND1 3.85Å; W250-H290 HydrophobicContact CZ2-CB 4.37Å; W250-H290 AromaticContact CZ2-ND1 3.91Å; W250-H290 AromaticContact NE1-CE1 3.6Å; W250-H290 AromaticContact NE1-ND1 3.47Å; W250-H290 PolarHBondContact NE1-ND1 3.46Å |
| 291 | G | 96.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | -1.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A289 E293 I294 | A289-G291 PolarHBondContact O-N 3.26Å; G291-E293 WeakPolarHBondContact CA-OE2 3.34Å; G291-E293 PolarHBondContact N-OE2 3.28Å; G291-E293 PolarHBondContact O-N 3.43Å; G291-E293 VanDerWaalsContact O-N 3.16Å; G291-I294 VanDerWaalsContact O-CB 3.29Å; G291-I294 WeakPolarHBondContact O-CB 3.09Å; G291-I294 WeakPolarHBondContact O-CG1 3.28Å; G291-I294 PolarHBondContact O-N 3.02Å; G291-I294 VanDerWaalsContact O-N 3.09Å |
| 292 | D | 97.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.6 | 178.8 | -84 | -17.5 | 0 | 0 | 0 | 113.8 | H276 A288 A289 P295 Y296 | H276-D292 HydrophobicContact CB-CB 3.87Å; H276-D292 VanDerWaalsContact CB-OD2 3.31Å; H276-D292 WeakPolarHBondContact CB-OD2 3.42Å; H276-D292 IonicContact CG-OD2 2.68Å; H276-D292 IonicContact ND1-OD2 3.67Å; A288-D292 HydrophobicContact CB-CB 4.47Å; A289-D292 PolarHBondContact N-OD2 2.98Å; A289-D292 WeakPolarHBondContact O-CB 3.16Å; A289-D292 PolarHBondContact O-N 2.96Å; D292-P295 WeakPolarHBondContact O-CD 3.34Å; D292-Y296 VanDerWaalsContact O-CD2 3.24Å; D292-Y296 WeakPolarHBondContact O-CD2 3.49Å; D292-Y296 VanDerWaalsContact O-CE2 3.28Å; D292-Y296 WeakPolarHBondContact O-CE2 3.32Å |
| 293 | E | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -25.3 | 173.8 | 85.8 | -63.6 | 165.8 | 0 | 0 | 112.8 | S45 Q80 N173 F273 G291 Y296 V297 | S45-E293 WeakPolarHBondContact CB-OE1 3.41Å; S45-E293 PolarHBondContact OG-OE1 3.41Å; Q80-E293 HydrophobicContact CB-CG 4.45Å; Q80-E293 WeakPolarHBondContact CB-OE1 3.33Å; Q80-E293 PolarHBondContact NE2-OE1 2.95Å; N173-E293 PolarHBondContact ND2-OE2 2.88Å; F273-E293 HydrophobicContact CD1-CB 3.89Å; F273-E293 HydrophobicContact CD2-CB 4.02Å; F273-E293 HydrophobicContact CE1-CB 3.9Å; F273-E293 HydrophobicContact CE2-CB 4.04Å; F273-E293 HydrophobicContact CG-CB 3.96Å; F273-E293 HydrophobicContact CZ-CB 3.99Å; G291-E293 WeakPolarHBondContact CA-OE2 3.34Å; G291-E293 PolarHBondContact N-OE2 3.28Å; G291-E293 PolarHBondContact O-N 3.43Å; G291-E293 VanDerWaalsContact O-N 3.16Å; E293-Y296 PolarHBondContact O-N 3.19Å; E293-V297 HydrophobicContact CG-CG2 4.5Å; E293-V297 PolarHBondContact O-N 3.5Å; E293-V297 VanDerWaalsContact O-N 3.1Å |
| 294 | I | 98.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.8 | -48.1 | -174.3 | -62.5 | 173.4 | 0 | 0 | 0 | 112.3 | G291 Y296 V297 F298 F309 | G291-I294 VanDerWaalsContact O-CB 3.29Å; G291-I294 WeakPolarHBondContact O-CB 3.09Å; G291-I294 WeakPolarHBondContact O-CG1 3.28Å; G291-I294 PolarHBondContact O-N 3.02Å; G291-I294 VanDerWaalsContact O-N 3.09Å; I294-Y296 PolarHBondContact O-N 2.77Å; I294-V297 PolarHBondContact O-N 3.3Å; I294-F298 HydrophobicContact CG2-CD2 3.69Å; I294-F298 HydrophobicContact CG2-CE2 3.96Å; I294-F298 WeakPolarHBondContact O-CD2 3.32Å; I294-F298 PolarHBondContact O-N 2.9Å; I294-F309 HydrophobicContact CG2-CZ 4.11Å |
| 295 | P | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -34.3 | 178.8 | -25.9 | 36.4 | 0 | 0 | 0 | 113.9 | D292 G299 L300 P301 F309 F313 | D292-P295 WeakPolarHBondContact O-CD 3.34Å; P295-G299 PolarHBondContact O-N 2.92Å; P295-L300 HydrophobicContact CB-CB 4.24Å; P295-L300 HydrophobicContact CB-CD1 4.06Å; P295-L300 HydrophobicContact CB-CG 4.45Å; P295-L300 PolarHBondContact O-N 3.27Å; P295-P301 VanDerWaalsContact O-CD 3.25Å; P295-P301 WeakPolarHBondContact O-CD 3.36Å; P295-F309 HydrophobicContact CG-CD1 3.67Å; P295-F309 HydrophobicContact CG-CE1 3.78Å; P295-F309 HydrophobicContact CG-CG 4.34Å; P295-F313 HydrophobicContact CB-CE1 4.06Å; P295-F313 HydrophobicContact CB-CZ 3.88Å |
| 296 | Y | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.6 | -38.2 | -178.6 | -59.4 | -88.8 | 0 | 0 | 0 | 111.7 | F273 H275 C277 D292 E293 I294 P301 D317 L320 S321 | F273-Y296 AromaticContact CE1-CD2 3.89Å; F273-Y296 HydrophobicContact CE1-CD2 3.89Å; F273-Y296 HydrophobicContact CE1-CE2 4.18Å; F273-Y296 AromaticContact CZ-CD2 3.66Å; F273-Y296 HydrophobicContact CZ-CD2 3.66Å; F273-Y296 HydrophobicContact CZ-CE2 4.31Å; F273-Y296 AromaticContact CZ-CG 3.88Å; F273-Y296 HydrophobicContact CZ-CG 3.88Å; H275-Y296 AromaticContact CD2-CE1 3.82Å; H275-Y296 AromaticContact CD2-CZ 3.56Å; H275-Y296 PolarHBondContact CD2-OH 3.02Å; H275-Y296 VanDerWaalsContact CD2-OH 3.25Å; H275-Y296 AromaticContact NE2-CZ 3.92Å; H275-Y296 PolarHBondContact NE2-OH 2.98Å; C277-Y296 WeakPolarHBondContact CB-OH 3.27Å; C277-Y296 PolarHBondContact N-OH 2.92Å; C277-Y296 VanDerWaalsContact N-OH 3.09Å; D292-Y296 VanDerWaalsContact O-CD2 3.24Å; D292-Y296 WeakPolarHBondContact O-CD2 3.49Å; D292-Y296 VanDerWaalsContact O-CE2 3.28Å; D292-Y296 WeakPolarHBondContact O-CE2 3.32Å; E293-Y296 PolarHBondContact O-N 3.19Å; I294-Y296 PolarHBondContact O-N 2.77Å; Y296-P301 HydrophobicContact CD1-CG 4.2Å; Y296-P301 HydrophobicContact CE1-CG 4.28Å; Y296-D317 HydrophobicContact CE1-CB 3.78Å; Y296-D317 WeakPolarHBondContact CE1-OD1 3.24Å; Y296-D317 PolarHBondContact OH-OD1 3.43Å; Y296-L320 HydrophobicContact CD1-CB 4.2Å; Y296-L320 HydrophobicContact CD1-CD2 4.06Å; Y296-L320 HydrophobicContact CD1-CG 4.19Å; Y296-L320 HydrophobicContact CE1-CB 4.41Å; Y296-L320 HydrophobicContact CE1-CD2 4.05Å; Y296-S321 PolarHBondContact O-OG 3.36Å |
| 297 | V | 98.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 174.6 | 175 | 0 | 0 | 0 | 0 | 111.8 | F43 E293 I294 V324 M325 W328 | F43-V297 HydrophobicContact CD2-CG1 4.45Å; F43-V297 HydrophobicContact CE2-CG1 3.99Å; E293-V297 HydrophobicContact CG-CG2 4.5Å; E293-V297 PolarHBondContact O-N 3.5Å; E293-V297 VanDerWaalsContact O-N 3.1Å; I294-V297 PolarHBondContact O-N 3.3Å; V297-V324 HydrophobicContact CB-CG1 4.35Å; V297-V324 HydrophobicContact CG2-CG1 3.63Å; V297-M325 VanDerWaalsContact O-CG 3.28Å; V297-M325 WeakPolarHBondContact O-CG 3.42Å; V297-W328 HydrophobicContact CG1-CG 4.45Å; V297-W328 HydrophobicContact CG2-CD2 4.44Å; V297-W328 HydrophobicContact CG2-CZ2 4.02Å |
| 298 | F | 98.4 | Very high | 96.6 | Very high | 122 Ų | 122 | 49.9 Ų | 49.9 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.8 | -178.7 | -73.1 | -74 | 0 | 0 | 0 | 115.3 | F43 I294 L300 | F43-F298 HydrophobicContact CE2-CE1 4.13Å; F43-F298 HydrophobicContact CE2-CE2 4.37Å; F43-F298 AromaticContact CE2-CZ 3.69Å; F43-F298 HydrophobicContact CE2-CZ 3.69Å; F43-F298 AromaticContact CZ-CE1 3.92Å; F43-F298 HydrophobicContact CZ-CE1 3.92Å; F43-F298 AromaticContact CZ-CZ 3.84Å; F43-F298 HydrophobicContact CZ-CZ 3.84Å; I294-F298 HydrophobicContact CG2-CD2 3.69Å; I294-F298 HydrophobicContact CG2-CE2 3.96Å; I294-F298 WeakPolarHBondContact O-CD2 3.32Å; I294-F298 PolarHBondContact O-N 2.9Å; F298-L300 VanDerWaalsContact C-N 3.3Å; F298-L300 HydrophobicContact CB-CG 4.42Å; F298-L300 PolarHBondContact O-N 3.07Å |
| 299 | G | 98.1 | Very high | 96.4 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 9.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P295 M302 S321 M325 | P295-G299 PolarHBondContact O-N 2.92Å; G299-M302 VanDerWaalsContact O-CB 3.29Å; G299-M302 WeakPolarHBondContact O-CB 3.32Å; G299-M302 PolarHBondContact O-N 2.85Å; G299-S321 VanDerWaalsContact CA-OG 3.3Å; G299-S321 WeakPolarHBondContact CA-OG 3.38Å; G299-M325 VanDerWaalsContact CA-SD 3.59Å |
| 300 | L | 97.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -38.5 | -172.2 | -57.8 | -173.5 | 0 | 0 | 0 | 114.2 | P295 F298 M302 I303 G304 F309 F313 | P295-L300 HydrophobicContact CB-CB 4.24Å; P295-L300 HydrophobicContact CB-CD1 4.06Å; P295-L300 HydrophobicContact CB-CG 4.45Å; P295-L300 PolarHBondContact O-N 3.27Å; F298-L300 VanDerWaalsContact C-N 3.3Å; F298-L300 HydrophobicContact CB-CG 4.42Å; F298-L300 PolarHBondContact O-N 3.07Å; L300-M302 PolarHBondContact O-N 3.24Å; L300-I303 HydrophobicContact CD2-CD1 4.06Å; L300-I303 VanDerWaalsContact O-CG1 3.24Å; L300-I303 WeakPolarHBondContact O-CG1 3.25Å; L300-I303 PolarHBondContact O-N 2.96Å; L300-G304 PolarHBondContact O-N 2.93Å; L300-F309 HydrophobicContact CD1-CB 3.93Å; L300-F309 HydrophobicContact CD1-CD1 4.45Å; L300-F309 HydrophobicContact CD1-CD2 3.14Å; L300-F309 HydrophobicContact CD1-CE2 3.63Å; L300-F309 HydrophobicContact CD1-CG 3.6Å; L300-F309 HydrophobicContact CD1-CZ 4.46Å; L300-F313 HydrophobicContact CB-CE2 4.14Å; L300-F313 HydrophobicContact CB-CZ 4.27Å |
| 301 | P | 97.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.8 | -27.9 | 172.4 | -31.1 | 38.4 | 0 | 0 | 0 | 114.8 | P295 Y296 F313 D317 V318 | P295-P301 VanDerWaalsContact O-CD 3.25Å; P295-P301 WeakPolarHBondContact O-CD 3.36Å; Y296-P301 HydrophobicContact CD1-CG 4.2Å; Y296-P301 HydrophobicContact CE1-CG 4.28Å; P301-F313 HydrophobicContact CB-CB 3.96Å; P301-F313 HydrophobicContact CB-CD1 4.2Å; P301-F313 HydrophobicContact CB-CD2 4.44Å; P301-F313 HydrophobicContact CB-CG 3.96Å; P301-F313 HydrophobicContact CG-CB 4.38Å; P301-F313 HydrophobicContact CG-CD1 3.67Å; P301-F313 HydrophobicContact CG-CD2 4.38Å; P301-F313 HydrophobicContact CG-CE1 3.97Å; P301-F313 HydrophobicContact CG-CG 3.89Å; P301-F313 HydrophobicContact CG-CZ 4.45Å; P301-D317 HydrophobicContact CB-CB 4.04Å; P301-D317 HydrophobicContact CG-CB 4.07Å; P301-V318 HydrophobicContact CB-CG2 4.17Å; P301-V318 WeakPolarHBondContact O-CG2 3.3Å |
| 302 | M | 97.1 | Very high | 95.7 | Very high | 67 Ų | 67 | 59 Ų | 59 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.6 | -25.2 | -179.9 | -57 | -170.4 | 173.9 | 0 | 0 | 113.8 | G299 L300 V318 A322 M325 I348 | G299-M302 VanDerWaalsContact O-CB 3.29Å; G299-M302 WeakPolarHBondContact O-CB 3.32Å; G299-M302 PolarHBondContact O-N 2.85Å; L300-M302 PolarHBondContact O-N 3.24Å; M302-V318 HydrophobicContact CG-CG1 4.27Å; M302-A322 HydrophobicContact CE-CB 3.49Å; M302-A322 VanDerWaalsContact CE-CB 3.49Å; M302-M325 HydrophobicContact CE-CE 3.31Å; M302-M325 HydrophobicContact SD-CE 3.62Å; M302-I348 HydrophobicContact CE-CD1 4.46Å; M302-I348 HydrophobicContact CE-CG1 3.82Å; M302-I348 HydrophobicContact SD-CD1 3.84Å; M302-I348 HydrophobicContact SD-CG1 3.83Å |
| 303 | I | 96.7 | Very high | 95.6 | Very high | 129 Ų | 129 | 58.5 Ų | 58.5 | 66% | 0.662 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -100.5 | -14.6 | 176.7 | 61.8 | 170.2 | 0 | 0 | 0 | 112.7 | L300 T306 | L300-I303 HydrophobicContact CD2-CD1 4.06Å; L300-I303 VanDerWaalsContact O-CG1 3.24Å; L300-I303 WeakPolarHBondContact O-CG1 3.25Å; L300-I303 PolarHBondContact O-N 2.96Å; I303-T306 HydrophobicContact CD1-CG2 3.92Å; I303-T306 HydrophobicContact CG1-CG2 4.43Å |
| 304 | G | 93.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | trans | 93.2 | -168 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | L300 | L300-G304 PolarHBondContact O-N 2.93Š| ||
| 305 | P | 93.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | trans | -60.8 | 142.9 | 179 | -18.8 | 30.5 | 0 | 0 | 0 | 111.7 | C311 | P305-C311 WeakPolarHBondContact CG-O 3.17Š| ||
| 306 | T | 94.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | trans | -125.8 | 169.1 | 177.4 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | I303 L308 F309 P310 | I303-T306 HydrophobicContact CD1-CG2 3.92Å; I303-T306 HydrophobicContact CG1-CG2 4.43Å; T306-L308 VanDerWaalsContact C-N 3.3Å; T306-L308 PolarHBondContact O-N 2.8Å; T306-F309 PolarHBondContact N-O 3.22Å; T306-F309 CarbonylContact O-C 3.57Å; T306-F309 PolarHBondContact O-N 3.46Å; T306-F309 PolarHBondContact OG1-N 2.81Å; T306-F309 PolarHBondContact OG1-O 2.99Å; T306-P310 VanDerWaalsContact O-CA 3.28Å; T306-P310 WeakPolarHBondContact O-CA 3.47Å; T306-P310 VanDerWaalsContact O-N 3.15Å | ||
| 307 | E | 92.4 | Very high | 95.5 | Very high | 203 Ų | 203 | 66.9 Ų | 66.9 | 95% | 0.949 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -59.8 | -39.8 | 175.8 | -174.2 | 176.4 | -175.9 | 0 | 0 | 112.4 | ||
| 308 | L | 92.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 67.1 Ų | 67.1 | 73% | 0.733 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -78.2 | -33.8 | 178.6 | -175.7 | 61.2 | 0 | 0 | 0 | 112.8 | T306 | T306-L308 VanDerWaalsContact C-N 3.3Å; T306-L308 PolarHBondContact O-N 2.8Å |
| 309 | F | 92.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | trans | -126.5 | 83 | 178.4 | -63.6 | -83.6 | 0 | 0 | 0 | 109.8 | I294 P295 L300 T306 C311 | I294-F309 HydrophobicContact CG2-CZ 4.11Å; P295-F309 HydrophobicContact CG-CD1 3.67Å; P295-F309 HydrophobicContact CG-CE1 3.78Å; P295-F309 HydrophobicContact CG-CG 4.34Å; L300-F309 HydrophobicContact CD1-CB 3.93Å; L300-F309 HydrophobicContact CD1-CD1 4.45Å; L300-F309 HydrophobicContact CD1-CD2 3.14Å; L300-F309 HydrophobicContact CD1-CE2 3.63Å; L300-F309 HydrophobicContact CD1-CG 3.6Å; L300-F309 HydrophobicContact CD1-CZ 4.46Å; T306-F309 PolarHBondContact N-O 3.22Å; T306-F309 CarbonylContact O-C 3.57Å; T306-F309 PolarHBondContact O-N 3.46Å; T306-F309 PolarHBondContact OG1-N 2.81Å; T306-F309 PolarHBondContact OG1-O 2.99Å; F309-C311 PolarHBondContact O-N 2.9Å | ||
| 310 | P | 90.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 60.8 Ų | 60.8 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | trans | -77.4 | 14.9 | -174.3 | 32.5 | -37.7 | 0 | 0 | 0 | 113.7 | T306 | T306-P310 VanDerWaalsContact O-CA 3.28Å; T306-P310 WeakPolarHBondContact O-CA 3.47Å; T306-P310 VanDerWaalsContact O-N 3.15Å | ||
| 311 | C | 91.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | trans | -72.8 | 138 | -175.9 | -160.8 | 0 | 0 | 0 | 0 | 112.4 | C277 Q278 T279 P305 F309 F313 | C277-C311 HydrophobicContact CB-CB 3.82Å; C277-C311 WeakPolarHBondContact CB-SG 3.3Å; C277-C311 PolarHBondContact O-SG 3.33Å; C277-C311 VanDerWaalsContact O-SG 3.39Å; C277-C311 WeakPolarHBondContact SG-CB 3.35Å; C277-C311 CovalentContact SG-SG 2.02Å; C277-C311 PolarHBondContact SG-SG 2.74Å; Q278-C311 PolarHBondContact O-SG 3.38Å; T279-C311 HydrophobicContact CG2-CB 3.67Å; P305-C311 WeakPolarHBondContact CG-O 3.17Å; F309-C311 PolarHBondContact O-N 2.9Å; C311-F313 VanDerWaalsContact C-N 3.35Å; C311-F313 HydrophobicContact CB-CE1 4.1Å; C311-F313 HydrophobicContact CB-CZ 4.14Å; C311-F313 VanDerWaalsContact O-CD2 3.31Å; C311-F313 WeakPolarHBondContact O-CD2 3.39Å; C311-F313 PolarHBondContact O-N 2.89Å | ||
| 312 | N | 93.2 | Very high | 95.6 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | trans | -82.7 | 78.1 | -178.3 | -165.4 | 5.3 | 0 | 0 | 0 | 111.2 | S314 | N312-S314 PolarHBondContact O-N 3.14Š| ||
| 313 | F | 96.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -58.1 | 127.2 | -174.9 | -60.7 | -66 | 0 | 0 | 0 | 113.3 | C277 P295 L300 P301 C311 D317 | C277-F313 HydrophobicContact CB-CD1 3.78Å; C277-F313 HydrophobicContact CB-CE1 3.69Å; C277-F313 WeakPolarHBondContact SG-CD1 3.26Å; P295-F313 HydrophobicContact CB-CE1 4.06Å; P295-F313 HydrophobicContact CB-CZ 3.88Å; L300-F313 HydrophobicContact CB-CE2 4.14Å; L300-F313 HydrophobicContact CB-CZ 4.27Å; P301-F313 HydrophobicContact CB-CB 3.96Å; P301-F313 HydrophobicContact CB-CD1 4.2Å; P301-F313 HydrophobicContact CB-CD2 4.44Å; P301-F313 HydrophobicContact CB-CG 3.96Å; P301-F313 HydrophobicContact CG-CB 4.38Å; P301-F313 HydrophobicContact CG-CD1 3.67Å; P301-F313 HydrophobicContact CG-CD2 4.38Å; P301-F313 HydrophobicContact CG-CE1 3.97Å; P301-F313 HydrophobicContact CG-CG 3.89Å; P301-F313 HydrophobicContact CG-CZ 4.45Å; C311-F313 VanDerWaalsContact C-N 3.35Å; C311-F313 HydrophobicContact CB-CE1 4.1Å; C311-F313 HydrophobicContact CB-CZ 4.14Å; C311-F313 VanDerWaalsContact O-CD2 3.31Å; C311-F313 WeakPolarHBondContact O-CD2 3.39Å; C311-F313 PolarHBondContact O-N 2.89Å; F313-D317 HydrophobicContact CB-CB 4.09Å; F313-D317 HydrophobicContact CD1-CB 4.12Å | ||
| 314 | S | 96.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | trans | -83 | 168.7 | 175.8 | 83.2 | 0 | 0 | 0 | 0 | 112.1 | N312 N316 D317 V318 | N312-S314 PolarHBondContact O-N 3.14Å; S314-N316 PolarHBondContact O-N 2.77Å; S314-N316 VanDerWaalsContact O-N 3.15Å; S314-N316 PolarHBondContact OG-N 3.12Å; S314-N316 VanDerWaalsContact OG-N 3.15Å; S314-D317 WeakPolarHBondContact CA-OD2 3.16Å; S314-D317 WeakPolarHBondContact CB-OD2 3.39Å; S314-D317 PolarHBondContact N-OD2 3.47Å; S314-D317 WeakPolarHBondContact O-CA 3.33Å; S314-D317 VanDerWaalsContact O-CB 3.32Å; S314-D317 WeakPolarHBondContact O-CB 3.14Å; S314-D317 PolarHBondContact O-N 3.13Å; S314-D317 PolarHBondContact OG-N 3.07Å; S314-D317 PolarHBondContact OG-OD2 2.84Å; S314-V318 PolarHBondContact O-N 2.85Å | ||
| 315 | K | 97.3 | Very high | 96 | Very high | 134 Ų | 134 | 51.7 Ų | 51.7 | 58% | 0.583 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.8 | -21.3 | 171.7 | -65 | -171.8 | 178 | -176.3 | 0 | 114.2 | M319 T350 K351 | K315-M319 PolarHBondContact O-N 2.67Å; K315-T350 WeakPolarHBondContact CB-OG1 3.49Å; K315-T350 PolarHBondContact O-OG1 2.86Å; K315-K351 HydrophobicContact CB-CG 3.84Å |
| 316 | N | 97.9 | Very high | 96.3 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.2 | -31.9 | 172 | -67.4 | -54.4 | 0 | 0 | 0 | 111.1 | S314 M319 L320 R354 L375 | S314-N316 PolarHBondContact O-N 2.77Å; S314-N316 VanDerWaalsContact O-N 3.15Å; S314-N316 PolarHBondContact OG-N 3.12Å; S314-N316 VanDerWaalsContact OG-N 3.15Å; N316-M319 PolarHBondContact O-N 3.1Å; N316-L320 WeakPolarHBondContact O-CB 3.18Å; N316-L320 PolarHBondContact O-N 3.41Å; N316-R354 PolarHBondContact OD1-NH2 3.11Å; N316-R354 VanDerWaalsContact OD1-NH2 3.11Å; N316-L375 HydrophobicContact CB-CD1 4.25Å; N316-L375 HydrophobicContact CB-CD2 3.86Å |
| 317 | D | 98.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.1 | -38.6 | 177.6 | -58.2 | -72.9 | 0 | 0 | 0 | 111.5 | H275 Y296 P301 F313 S314 L320 S321 | H275-D317 IonicContact CD2-OD1 2.71Å; H275-D317 IonicContact CE1-OD1 3.23Å; H275-D317 IonicContact NE2-OD1 3.8Å; H275-D317 PolarHBondContact NE2-OD1 2.74Å; Y296-D317 HydrophobicContact CE1-CB 3.78Å; Y296-D317 WeakPolarHBondContact CE1-OD1 3.24Å; Y296-D317 PolarHBondContact OH-OD1 3.43Å; P301-D317 HydrophobicContact CB-CB 4.04Å; P301-D317 HydrophobicContact CG-CB 4.07Å; F313-D317 HydrophobicContact CB-CB 4.09Å; F313-D317 HydrophobicContact CD1-CB 4.12Å; S314-D317 WeakPolarHBondContact CA-OD2 3.16Å; S314-D317 WeakPolarHBondContact CB-OD2 3.39Å; S314-D317 PolarHBondContact N-OD2 3.47Å; S314-D317 WeakPolarHBondContact O-CA 3.33Å; S314-D317 VanDerWaalsContact O-CB 3.32Å; S314-D317 WeakPolarHBondContact O-CB 3.14Å; S314-D317 PolarHBondContact O-N 3.13Å; S314-D317 PolarHBondContact OG-N 3.07Å; S314-D317 PolarHBondContact OG-OD2 2.84Å; D317-L320 PolarHBondContact O-N 3.47Å; D317-S321 VanDerWaalsContact O-CB 3.28Å; D317-S321 WeakPolarHBondContact O-CB 3.37Å; D317-S321 PolarHBondContact O-N 3.36Å |
| 318 | V | 98.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | P301 M302 S314 A322 I348 T350 | P301-V318 HydrophobicContact CB-CG2 4.17Å; P301-V318 WeakPolarHBondContact O-CG2 3.3Å; M302-V318 HydrophobicContact CG-CG1 4.27Å; S314-V318 PolarHBondContact O-N 2.85Å; V318-A322 PolarHBondContact O-N 2.92Å; V318-I348 VanDerWaalsContact CG1-O 3.22Å; V318-I348 WeakPolarHBondContact CG1-O 3.29Å; V318-T350 HydrophobicContact CB-CG2 4.44Å; V318-T350 HydrophobicContact CG1-CG2 3.87Å |
| 319 | M | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 176.3 | -179.5 | -79.5 | -56.3 | 0 | 0 | 111.7 | K315 N316 S321 A322 V323 H349 K351 R354 L375 | K315-M319 PolarHBondContact O-N 2.67Å; N316-M319 PolarHBondContact O-N 3.1Å; M319-S321 PolarHBondContact O-N 2.9Å; M319-A322 WeakPolarHBondContact O-CB 3.25Å; M319-A322 PolarHBondContact O-N 2.9Å; M319-V323 WeakPolarHBondContact O-CG2 3.13Å; M319-V323 PolarHBondContact O-N 3.43Å; M319-V323 HydrophobicContact SD-CG2 3.89Å; M319-H349 WeakPolarHBondContact CA-O 3.33Å; M319-H349 HydrophobicContact CB-CB 4.22Å; M319-H349 WeakPolarHBondContact CB-O 3.27Å; M319-H349 HydrophobicContact CG-CB 4.18Å; M319-H349 PolarHBondContact N-O 3.27Å; M319-K351 HydrophobicContact CB-CB 4.11Å; M319-K351 HydrophobicContact CG-CB 4.34Å; M319-R354 HydrophobicContact CE-CG 3.95Å; M319-R354 HydrophobicContact SD-CG 4.44Å; M319-L375 HydrophobicContact CE-CD2 4.15Å |
| 320 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | -179.2 | -173.4 | 65.5 | 0 | 0 | 0 | 112 | F273 H275 Y296 N316 D317 V323 V324 F355 I373 | F273-L320 HydrophobicContact CZ-CD2 4.28Å; H275-L320 HydrophobicContact CB-CD2 3.65Å; H275-L320 WeakPolarHBondContact CD2-CD2 3.35Å; H275-L320 VanDerWaalsContact CG-CD2 3.5Å; Y296-L320 HydrophobicContact CD1-CB 4.2Å; Y296-L320 HydrophobicContact CD1-CD2 4.06Å; Y296-L320 HydrophobicContact CD1-CG 4.19Å; Y296-L320 HydrophobicContact CE1-CB 4.41Å; Y296-L320 HydrophobicContact CE1-CD2 4.05Å; N316-L320 WeakPolarHBondContact O-CB 3.18Å; N316-L320 PolarHBondContact O-N 3.41Å; D317-L320 PolarHBondContact O-N 3.47Å; L320-V323 WeakPolarHBondContact O-CB 3.43Å; L320-V323 PolarHBondContact O-N 3.36Å; L320-V324 HydrophobicContact CG-CG2 4.39Å; L320-V324 WeakPolarHBondContact O-CB 3.4Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.41Å; L320-V324 PolarHBondContact O-N 2.97Å; L320-F355 HydrophobicContact CD1-CE2 3.72Å; L320-F355 HydrophobicContact CD1-CZ 3.69Å; L320-I373 HydrophobicContact CD1-CG2 3.91Å |
| 321 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | Y296 G299 D317 M319 V323 V324 M325 | Y296-S321 PolarHBondContact O-OG 3.36Å; G299-S321 VanDerWaalsContact CA-OG 3.3Å; G299-S321 WeakPolarHBondContact CA-OG 3.38Å; D317-S321 VanDerWaalsContact O-CB 3.28Å; D317-S321 WeakPolarHBondContact O-CB 3.37Å; D317-S321 PolarHBondContact O-N 3.36Å; M319-S321 PolarHBondContact O-N 2.9Å; S321-V323 VanDerWaalsContact C-N 3.34Å; S321-V323 PolarHBondContact O-N 3.45Å; S321-V324 PolarHBondContact O-N 3.39Å; S321-M325 WeakPolarHBondContact O-CB 3.4Å; S321-M325 WeakPolarHBondContact O-CG 3.46Å; S321-M325 PolarHBondContact O-N 2.98Å |
| 322 | A | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M302 V318 M319 T326 H349 | M302-A322 HydrophobicContact CE-CB 3.49Å; M302-A322 VanDerWaalsContact CE-CB 3.49Å; V318-A322 PolarHBondContact O-N 2.92Å; M319-A322 WeakPolarHBondContact O-CB 3.25Å; M319-A322 PolarHBondContact O-N 2.9Å; A322-T326 WeakPolarHBondContact O-CB 3.35Å; A322-T326 PolarHBondContact O-N 3.07Å; A322-T326 PolarHBondContact O-OG1 2.93Å; A322-H349 VanDerWaalsContact CB-CD2 3.41Å; A322-H349 WeakPolarHBondContact CB-CD2 3.32Å |
| 323 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -51.3 | 175 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | M319 L320 S321 T326 Y327 Q343 N353 F355 | M319-V323 WeakPolarHBondContact O-CG2 3.13Å; M319-V323 PolarHBondContact O-N 3.43Å; M319-V323 HydrophobicContact SD-CG2 3.89Å; L320-V323 WeakPolarHBondContact O-CB 3.43Å; L320-V323 PolarHBondContact O-N 3.36Å; S321-V323 VanDerWaalsContact C-N 3.34Å; S321-V323 PolarHBondContact O-N 3.45Å; V323-T326 WeakPolarHBondContact O-CB 3.38Å; V323-T326 PolarHBondContact O-N 3.43Å; V323-T326 VanDerWaalsContact O-N 3.14Å; V323-Y327 HydrophobicContact CG1-CD2 3.72Å; V323-Y327 HydrophobicContact CG1-CE2 3.45Å; V323-Y327 VanDerWaalsContact CG1-CE2 3.45Å; V323-Y327 WeakPolarHBondContact O-CD2 3.45Å; V323-Y327 PolarHBondContact O-N 3.45Å; V323-Q343 PolarHBondContact O-NE2 3.4Å; V323-Q343 VanDerWaalsContact O-NE2 3.13Å; V323-N353 WeakPolarHBondContact CG2-ND2 3.47Å; V323-N353 WeakPolarHBondContact CG2-OD1 3.44Å; V323-F355 HydrophobicContact CB-CD2 4.16Å; V323-F355 HydrophobicContact CB-CE2 4.31Å; V323-F355 HydrophobicContact CG1-CB 4.1Å; V323-F355 HydrophobicContact CG1-CD1 3.74Å; V323-F355 HydrophobicContact CG1-CD2 3.56Å; V323-F355 HydrophobicContact CG1-CE1 3.87Å; V323-F355 HydrophobicContact CG1-CE2 3.73Å; V323-F355 HydrophobicContact CG1-CG 3.56Å; V323-F355 HydrophobicContact CG1-CZ 3.85Å; V323-F355 HydrophobicContact CG2-CB 4.37Å; V323-F355 HydrophobicContact CG2-CD2 3.65Å; V323-F355 HydrophobicContact CG2-CE2 4.15Å; V323-F355 HydrophobicContact CG2-CG 4.19Å |
| 324 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | -178.2 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | F273 V297 L320 S321 T326 Y327 W328 I373 | F273-V324 HydrophobicContact CE2-CG2 3.99Å; V297-V324 HydrophobicContact CB-CG1 4.35Å; V297-V324 HydrophobicContact CG2-CG1 3.63Å; L320-V324 HydrophobicContact CG-CG2 4.39Å; L320-V324 WeakPolarHBondContact O-CB 3.4Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.41Å; L320-V324 PolarHBondContact O-N 2.97Å; S321-V324 PolarHBondContact O-N 3.39Å; V324-T326 PolarHBondContact O-N 2.76Å; V324-Y327 PolarHBondContact O-N 3.5Å; V324-W328 HydrophobicContact CG1-CD2 4.1Å; V324-W328 HydrophobicContact CG1-CE3 3.8Å; V324-W328 HydrophobicContact CG1-CH2 4.32Å; V324-W328 HydrophobicContact CG1-CZ3 3.93Å; V324-W328 VanDerWaalsContact O-CE3 3.27Å; V324-W328 PolarHBondContact O-N 3.28Å; V324-I373 HydrophobicContact CG2-CG2 4.09Å |
| 325 | M | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 23% | 0.232 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -32.8 | 175.4 | -73.8 | -168.2 | -67.1 | 0 | 0 | 112.7 | V297 G299 M302 S321 T329 | V297-M325 VanDerWaalsContact O-CG 3.28Å; V297-M325 WeakPolarHBondContact O-CG 3.42Å; G299-M325 VanDerWaalsContact CA-SD 3.59Å; M302-M325 HydrophobicContact CE-CE 3.31Å; M302-M325 HydrophobicContact SD-CE 3.62Å; S321-M325 WeakPolarHBondContact O-CB 3.4Å; S321-M325 WeakPolarHBondContact O-CG 3.46Å; S321-M325 PolarHBondContact O-N 2.98Å; M325-T329 VanDerWaalsContact O-CB 3.29Å; M325-T329 WeakPolarHBondContact O-CB 3.43Å; M325-T329 WeakPolarHBondContact O-CG2 3.46Å; M325-T329 PolarHBondContact O-N 3.26Å; M325-T329 PolarHBondContact O-OG1 3.39Å |
| 326 | T | 98.8 | Very high | 98.6 | Very high | 25 Ų | 25 | 20 Ų | 20 | 15% | 0.153 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65 | -50.4 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | A322 V323 V324 T329 N330 V341 | A322-T326 WeakPolarHBondContact O-CB 3.35Å; A322-T326 PolarHBondContact O-N 3.07Å; A322-T326 PolarHBondContact O-OG1 2.93Å; V323-T326 WeakPolarHBondContact O-CB 3.38Å; V323-T326 PolarHBondContact O-N 3.43Å; V323-T326 VanDerWaalsContact O-N 3.14Å; V324-T326 PolarHBondContact O-N 2.76Å; T326-T329 PolarHBondContact O-OG1 2.85Å; T326-N330 WeakPolarHBondContact O-CB 3.44Å; T326-N330 PolarHBondContact O-N 3.22Å; T326-N330 PolarHBondContact O-ND2 2.66Å; T326-V341 HydrophobicContact CG2-CB 4.11Å; T326-V341 HydrophobicContact CG2-CG1 4.05Å |
| 327 | Y | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.7 | -70.7 | -55.1 | 0 | 0 | 0 | 112.8 | V323 V324 N330 F331 P337 Q343 F355 V358 W360 L371 | V323-Y327 HydrophobicContact CG1-CD2 3.72Å; V323-Y327 HydrophobicContact CG1-CE2 3.45Å; V323-Y327 VanDerWaalsContact CG1-CE2 3.45Å; V323-Y327 WeakPolarHBondContact O-CD2 3.45Å; V323-Y327 PolarHBondContact O-N 3.45Å; V324-Y327 PolarHBondContact O-N 3.5Å; Y327-N330 PolarHBondContact O-N 2.99Å; Y327-F331 WeakPolarHBondContact O-CB 3.41Å; Y327-F331 PolarHBondContact O-N 3.23Å; Y327-P337 HydrophobicContact CD1-CB 3.92Å; Y327-P337 WeakPolarHBondContact CD1-O 3.27Å; Y327-P337 HydrophobicContact CG-CB 4.41Å; Y327-Q343 VanDerWaalsContact CD2-NE2 3.31Å; Y327-Q343 HydrophobicContact CE1-CG 4.02Å; Y327-Q343 VanDerWaalsContact CE2-NE2 3.28Å; Y327-Q343 VanDerWaalsContact CZ-NE2 3.35Å; Y327-F355 AromaticContact CE2-CD1 3.69Å; Y327-F355 HydrophobicContact CE2-CD1 3.69Å; Y327-F355 HydrophobicContact CE2-CE1 4.09Å; Y327-F355 HydrophobicContact CE2-CG 4.39Å; Y327-F355 WeakPolarHBondContact OH-CD1 3.46Å; Y327-V358 PolarHBondContact OH-O 3.36Å; Y327-W360 AromaticContact CD1-CE3 3.97Å; Y327-W360 HydrophobicContact CD1-CE3 3.97Å; Y327-W360 HydrophobicContact CD2-CE3 4.24Å; Y327-W360 HydrophobicContact CD2-CZ3 4.43Å; Y327-W360 HydrophobicContact CE1-CB 4.29Å; Y327-W360 HydrophobicContact CE1-CE3 4.41Å; Y327-W360 AromaticContact CG-CE3 3.87Å; Y327-W360 HydrophobicContact CG-CE3 3.87Å; Y327-W360 HydrophobicContact CG-CZ3 4.14Å; Y327-L371 HydrophobicContact CD2-CD2 4.16Å; Y327-L371 HydrophobicContact CE2-CD2 3.67Å |
| 328 | W | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 19.4 Ų | 19.4 | 5% | 0.045 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 179.9 | -93.8 | -124 | 0 | 0 | 0 | 111.4 | I78 Q80 M169 Y271 V297 V324 F331 A332 W360 I373 | I78-W328 HydrophobicContact CD1-CB 4.47Å; I78-W328 HydrophobicContact CD1-CG 4.04Å; I78-W328 HydrophobicContact CG2-CZ2 4.5Å; Q80-W328 HydrophobicContact CG-CZ2 4.35Å; M169-W328 HydrophobicContact SD-CD2 4Å; M169-W328 HydrophobicContact SD-CE3 3.95Å; M169-W328 HydrophobicContact SD-CH2 4.21Å; M169-W328 HydrophobicContact SD-CZ2 4.25Å; M169-W328 HydrophobicContact SD-CZ3 4.06Å; Y271-W328 AromaticContact CD1-CH2 3.88Å; Y271-W328 HydrophobicContact CD1-CH2 3.88Å; Y271-W328 HydrophobicContact CD1-CZ2 4.39Å; Y271-W328 AromaticContact CE1-CH2 3.73Å; Y271-W328 HydrophobicContact CE1-CH2 3.73Å; Y271-W328 AromaticContact CE1-CZ2 3.81Å; Y271-W328 HydrophobicContact CE1-CZ2 3.81Å; Y271-W328 HydrophobicContact CG-CH2 4.36Å; V297-W328 HydrophobicContact CG1-CG 4.45Å; V297-W328 HydrophobicContact CG2-CD2 4.44Å; V297-W328 HydrophobicContact CG2-CZ2 4.02Å; V324-W328 HydrophobicContact CG1-CD2 4.1Å; V324-W328 HydrophobicContact CG1-CE3 3.8Å; V324-W328 HydrophobicContact CG1-CH2 4.32Å; V324-W328 HydrophobicContact CG1-CZ3 3.93Å; V324-W328 VanDerWaalsContact O-CE3 3.27Å; V324-W328 PolarHBondContact O-N 3.28Å; W328-F331 PolarHBondContact O-N 2.86Å; W328-A332 PolarHBondContact O-N 2.58Å; W328-W360 HydrophobicContact CE3-CZ3 4.48Å; W328-W360 HydrophobicContact CH2-CH2 4.46Å; W328-W360 HydrophobicContact CZ3-CH2 4.09Å; W328-W360 AromaticContact CZ3-CZ3 3.97Å; W328-W360 HydrophobicContact CZ3-CZ3 3.97Å; W328-I373 HydrophobicContact CH2-CD1 4.04Å; W328-I373 HydrophobicContact CZ3-CD1 3.96Å |
| 329 | T | 98.9 | Very high | 98.6 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 39% | 0.387 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -74.8 | -28.1 | -179.1 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | M325 T326 K333 | M325-T329 VanDerWaalsContact O-CB 3.29Å; M325-T329 WeakPolarHBondContact O-CB 3.43Å; M325-T329 WeakPolarHBondContact O-CG2 3.46Å; M325-T329 PolarHBondContact O-N 3.26Å; M325-T329 PolarHBondContact O-OG1 3.39Å; T326-T329 PolarHBondContact O-OG1 2.85Å; T329-K333 WeakPolarHBondContact O-CB 3.29Å; T329-K333 WeakPolarHBondContact O-CD 3.46Å; T329-K333 WeakPolarHBondContact O-CE 3.19Å; T329-K333 WeakPolarHBondContact O-CG 3.28Å; T329-K333 PolarHBondContact O-N 2.92Å; T329-K333 PolarHBondContact OG1-NZ 2.83Å |
| 330 | N | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -49.8 | 170.2 | -83.3 | -4.5 | 0 | 0 | 0 | 111.4 | T326 Y327 A332 K333 T334 D336 P337 Q339 P340 V341 | T326-N330 WeakPolarHBondContact O-CB 3.44Å; T326-N330 PolarHBondContact O-N 3.22Å; T326-N330 PolarHBondContact O-ND2 2.66Å; Y327-N330 PolarHBondContact O-N 2.99Å; N330-A332 VanDerWaalsContact C-N 3.3Å; N330-A332 PolarHBondContact O-N 3.25Å; N330-K333 WeakPolarHBondContact O-CB 3.2Å; N330-K333 PolarHBondContact O-N 3.48Å; N330-K333 PolarHBondContact OD1-NZ 3.25Å; N330-T334 PolarHBondContact O-N 2.91Å; N330-T334 PolarHBondContact O-OG1 3.14Å; N330-T334 VanDerWaalsContact O-OG1 3.09Å; N330-D336 CarbonylContact C-O 3.44Å; N330-P337 WeakPolarHBondContact CB-O 3.43Å; N330-P337 PolarHBondContact ND2-O 3.41Å; N330-Q339 CarbonylContact C-O 3.53Å; N330-Q339 VanDerWaalsContact CA-O 3.28Å; N330-Q339 WeakPolarHBondContact CA-O 3.44Å; N330-Q339 WeakPolarHBondContact CB-O 3.15Å; N330-Q339 VanDerWaalsContact CG-C 3.49Å; N330-Q339 VanDerWaalsContact O-O 3.14Å; N330-P340 WeakPolarHBondContact OD1-CD 3.3Å; N330-V341 PolarHBondContact ND2-O 3.39Å; N330-V341 WeakPolarHBondContact OD1-CB 3.3Å; N330-V341 PolarHBondContact OD1-N 2.8Å |
| 331 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 174.2 | -178.4 | -102.3 | 0 | 0 | 0 | 111.4 | T41 R76 A77 I78 D167 M169 Y269 Y327 W328 K333 T334 G335 D336 P337 | T41-F331 HydrophobicContact CG2-CD1 4.49Å; R76-F331 HydrophobicContact CB-CE1 3.88Å; R76-F331 HydrophobicContact CB-CZ 4.24Å; R76-F331 WeakPolarHBondContact CD-O 3.43Å; R76-F331 PolarHBondContact NE-O 3.41Å; A77-F331 WeakPolarHBondContact O-CE1 3.35Å; I78-F331 HydrophobicContact CD1-CD1 3.84Å; I78-F331 HydrophobicContact CD1-CE1 4.37Å; I78-F331 HydrophobicContact CG1-CD1 3.72Å; I78-F331 HydrophobicContact CG1-CE1 3.72Å; D167-F331 HydrophobicContact CB-CE2 3.82Å; D167-F331 HydrophobicContact CB-CZ 3.7Å; D167-F331 WeakPolarHBondContact O-CZ 3.24Å; M169-F331 HydrophobicContact CB-CD1 4.2Å; M169-F331 HydrophobicContact CB-CD2 4.5Å; M169-F331 HydrophobicContact CB-CE1 3.92Å; M169-F331 HydrophobicContact CB-CE2 4.24Å; M169-F331 HydrophobicContact CB-CG 4.47Å; M169-F331 HydrophobicContact CB-CZ 3.93Å; M169-F331 HydrophobicContact CE-CB 3.61Å; M169-F331 HydrophobicContact CE-CD1 4.22Å; M169-F331 HydrophobicContact CE-CD2 4.1Å; M169-F331 HydrophobicContact CE-CG 3.72Å; Y269-F331 HydrophobicContact CD2-CD2 4.29Å; Y269-F331 AromaticContact CD2-CE2 3.97Å; Y269-F331 HydrophobicContact CD2-CE2 3.97Å; Y269-F331 HydrophobicContact CE2-CE2 4.33Å; Y327-F331 WeakPolarHBondContact O-CB 3.41Å; Y327-F331 PolarHBondContact O-N 3.23Å; W328-F331 PolarHBondContact O-N 2.86Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 3.42Å; F331-T334 PolarHBondContact O-N 3.04Å; F331-G335 WeakPolarHBondContact CD2-O 3.38Å; F331-G335 WeakPolarHBondContact CE2-O 3.49Å; F331-G335 WeakPolarHBondContact O-CA 3.36Å; F331-G335 PolarHBondContact O-N 2.77Å; F331-D336 PolarHBondContact N-O 3.36Å; F331-P337 HydrophobicContact CB-CB 4.34Å |
| 332 | A | 98.7 | Very high | 98.6 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -34.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | T41 R76 W328 N330 | T41-A332 HydrophobicContact CG2-CB 4.29Å; T41-A332 WeakPolarHBondContact OG1-CA 3.41Å; R76-A332 PolarHBondContact NH1-O 2.88Å; W328-A332 PolarHBondContact O-N 2.58Å; N330-A332 VanDerWaalsContact C-N 3.3Å; N330-A332 PolarHBondContact O-N 3.25Å |
| 333 | K | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -72.8 | -41.3 | 177.4 | -69.8 | 155.4 | -150.9 | 150.6 | 0 | 112.7 | R39 T329 N330 F331 P340 | R39-K333 WeakPolarHBondContact CD-O 3.19Å; T329-K333 WeakPolarHBondContact O-CB 3.29Å; T329-K333 WeakPolarHBondContact O-CD 3.46Å; T329-K333 WeakPolarHBondContact O-CE 3.19Å; T329-K333 WeakPolarHBondContact O-CG 3.28Å; T329-K333 PolarHBondContact O-N 2.92Å; T329-K333 PolarHBondContact OG1-NZ 2.83Å; N330-K333 WeakPolarHBondContact O-CB 3.2Å; N330-K333 PolarHBondContact O-N 3.48Å; N330-K333 PolarHBondContact OD1-NZ 3.25Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 3.42Å; K333-P340 HydrophobicContact CD-CG 4.19Å |
| 334 | T | 98.2 | Very high | 98.3 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 36% | 0.362 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -128.9 | -23.2 | -162.5 | 66.1 | 0 | 0 | 0 | 0 | 116 | R76 N330 F331 D336 Q339 | R76-T334 VanDerWaalsContact NH2-C 3.3Å; R76-T334 PolarHBondContact NH2-O 3.42Å; N330-T334 PolarHBondContact O-N 2.91Å; N330-T334 PolarHBondContact O-OG1 3.14Å; N330-T334 VanDerWaalsContact O-OG1 3.09Å; F331-T334 PolarHBondContact O-N 3.04Å; T334-D336 PolarHBondContact OG1-N 2.97Å; T334-D336 PolarHBondContact OG1-O 2.94Å; T334-Q339 HydrophobicContact CG2-CB 4.23Å; T334-Q339 VanDerWaalsContact CG2-O 3.28Å; T334-Q339 WeakPolarHBondContact CG2-O 3.28Å; T334-Q339 PolarHBondContact OG1-O 3.13Å |
| 335 | G | 98.1 | Very high | 98.2 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 90.5 | -3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R76 D167 Y269 F331 | R76-G335 VanDerWaalsContact NE-N 3.11Å; D167-G335 VanDerWaalsContact OD2-CA 3.24Å; D167-G335 WeakPolarHBondContact OD2-CA 3.31Å; Y269-G335 WeakPolarHBondContact CE2-O 2.99Å; F331-G335 WeakPolarHBondContact CD2-O 3.38Å; F331-G335 WeakPolarHBondContact CE2-O 3.49Å; F331-G335 WeakPolarHBondContact O-CA 3.36Å; F331-G335 PolarHBondContact O-N 2.77Å |
| 336 | D | 98.6 | Very high | 98 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | trans | -124.8 | 120.7 | 176.7 | -165.6 | -47.1 | 0 | 0 | 0 | 109.8 | Y269 N330 F331 T334 N338 Q339 | Y269-D336 PolarHBondContact OH-OD2 2.88Å; N330-D336 CarbonylContact C-O 3.44Å; F331-D336 PolarHBondContact N-O 3.36Å; T334-D336 PolarHBondContact OG1-N 2.97Å; T334-D336 PolarHBondContact OG1-O 2.94Å; D336-N338 PolarHBondContact O-N 3.44Å; D336-N338 VanDerWaalsContact O-N 3.1Å; D336-N338 VanDerWaalsContact OD1-CB 3.24Å; D336-N338 WeakPolarHBondContact OD1-CB 3.36Å; D336-N338 PolarHBondContact OD1-N 3.3Å; D336-N338 PolarHBondContact OD1-ND2 2.85Å; D336-Q339 HydrophobicContact CB-CB 4.36Å; D336-Q339 PolarHBondContact O-N 3.04Å; D336-Q339 VanDerWaalsContact O-N 3.13Å | ||
| 337 | P | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.5 | 179.3 | 27.9 | -34.2 | 0 | 0 | 0 | 112.9 | M169 Y269 Y327 N330 F331 W360 | M169-P337 HydrophobicContact CE-CB 3.78Å; M169-P337 HydrophobicContact CE-CG 4.31Å; Y269-P337 HydrophobicContact CD1-CG 3.57Å; Y269-P337 HydrophobicContact CE1-CG 3.67Å; Y269-P337 HydrophobicContact CG-CG 4.04Å; Y327-P337 HydrophobicContact CD1-CB 3.92Å; Y327-P337 WeakPolarHBondContact CD1-O 3.27Å; Y327-P337 HydrophobicContact CG-CB 4.41Å; N330-P337 WeakPolarHBondContact CB-O 3.43Å; N330-P337 PolarHBondContact ND2-O 3.41Å; F331-P337 HydrophobicContact CB-CB 4.34Å; P337-W360 HydrophobicContact CB-CD2 4.31Å; P337-W360 HydrophobicContact CB-CE3 3.71Å; P337-W360 HydrophobicContact CB-CZ3 4.19Å; P337-W360 HydrophobicContact CG-CB 4.07Å; P337-W360 HydrophobicContact CG-CD2 3.88Å; P337-W360 HydrophobicContact CG-CE3 3.8Å; P337-W360 HydrophobicContact CG-CG 4.03Å |
| 338 | N | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5 | 179.6 | -50.5 | -77.4 | 0 | 0 | 0 | 113.5 | D336 A359 W360 | D336-N338 PolarHBondContact O-N 3.44Å; D336-N338 VanDerWaalsContact O-N 3.1Å; D336-N338 VanDerWaalsContact OD1-CB 3.24Å; D336-N338 WeakPolarHBondContact OD1-CB 3.36Å; D336-N338 PolarHBondContact OD1-N 3.3Å; D336-N338 PolarHBondContact OD1-ND2 2.85Å; N338-A359 WeakPolarHBondContact OD1-CA 3.44Å; N338-W360 PolarHBondContact ND2-O 2.94Å; N338-W360 PolarHBondContact OD1-N 2.94Å |
| 339 | Q | 98 | Very high | 97.5 | Very high | 108 Ų | 108 | 55.1 Ų | 55.1 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -134.7 | 138.5 | -171.5 | -64.9 | -62.6 | -30.3 | 0 | 0 | 113.6 | N330 T334 D336 | N330-Q339 CarbonylContact C-O 3.53Å; N330-Q339 VanDerWaalsContact CA-O 3.28Å; N330-Q339 WeakPolarHBondContact CA-O 3.44Å; N330-Q339 WeakPolarHBondContact CB-O 3.15Å; N330-Q339 VanDerWaalsContact CG-C 3.49Å; N330-Q339 VanDerWaalsContact O-O 3.14Å; T334-Q339 HydrophobicContact CG2-CB 4.23Å; T334-Q339 VanDerWaalsContact CG2-O 3.28Å; T334-Q339 WeakPolarHBondContact CG2-O 3.28Å; T334-Q339 PolarHBondContact OG1-O 3.13Å; D336-Q339 HydrophobicContact CB-CB 4.36Å; D336-Q339 PolarHBondContact O-N 3.04Å; D336-Q339 VanDerWaalsContact O-N 3.13Å |
| 340 | P | 98.2 | Very high | 97.4 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | S | Bend | cis | -100.3 | -3.4 | 8.1 | 38.7 | -35 | 0 | 0 | 0 | 114.3 | N330 K333 P342 | N330-P340 WeakPolarHBondContact OD1-CD 3.3Å; K333-P340 HydrophobicContact CD-CG 4.19Å; P340-P342 WeakPolarHBondContact O-CD 3.44Å |
| 341 | V | 98.2 | Very high | 97.3 | Very high | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.297 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -95.3 | 115.5 | -173.5 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | T326 N330 | T326-V341 HydrophobicContact CG2-CB 4.11Å; T326-V341 HydrophobicContact CG2-CG1 4.05Å; N330-V341 PolarHBondContact ND2-O 3.39Å; N330-V341 WeakPolarHBondContact OD1-CB 3.3Å; N330-V341 PolarHBondContact OD1-N 2.8Å |
| 342 | P | 97.5 | Very high | 97.2 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | trans | -69.6 | 157.1 | 174.8 | 29.2 | -35 | 0 | 0 | 0 | 111.9 | P340 D344 | P340-P342 WeakPolarHBondContact O-CD 3.44Å; P342-D344 WeakPolarHBondContact CB-OD1 3.37Å; P342-D344 VanDerWaalsContact CG-OD1 3.32Å; P342-D344 WeakPolarHBondContact CG-OD1 3.22Å; P342-D344 PolarHBondContact O-N 3.07Å | ||
| 343 | Q | 97 | Very high | 97.1 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | trans | -78.6 | 43.9 | -177.4 | -72.6 | -71.3 | -1.7 | 0 | 0 | 113.1 | V323 Y327 N353 F355 E356 | V323-Q343 PolarHBondContact O-NE2 3.4Å; V323-Q343 VanDerWaalsContact O-NE2 3.13Å; Y327-Q343 VanDerWaalsContact CD2-NE2 3.31Å; Y327-Q343 HydrophobicContact CE1-CG 4.02Å; Y327-Q343 VanDerWaalsContact CE2-NE2 3.28Å; Y327-Q343 VanDerWaalsContact CZ-NE2 3.35Å; Q343-N353 VanDerWaalsContact O-CG 3.24Å; Q343-N353 PolarHBondContact O-ND2 2.89Å; Q343-N353 PolarHBondContact OE1-ND2 2.89Å; Q343-F355 HydrophobicContact CB-CB 4.29Å; Q343-F355 WeakPolarHBondContact CB-O 3.43Å; Q343-F355 HydrophobicContact CG-CB 4.27Å; Q343-E356 WeakPolarHBondContact O-CG 3.23Å | ||
| 344 | D | 95.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | trans | -72.6 | 147.3 | -177.5 | -23.1 | -62.2 | 0 | 0 | 0 | 113.2 | P342 K346 H349 | P342-D344 WeakPolarHBondContact CB-OD1 3.37Å; P342-D344 VanDerWaalsContact CG-OD1 3.32Å; P342-D344 WeakPolarHBondContact CG-OD1 3.22Å; P342-D344 PolarHBondContact O-N 3.07Å; D344-K346 PolarHBondContact O-N 3.16Å; D344-K346 WeakPolarHBondContact OD2-CE 3.2Å; D344-K346 IonicContact OD2-NZ 2.73Å; D344-K346 PolarHBondContact OD2-NZ 3.15Å; D344-H349 PolarHBondContact O-CE1 3.06Å | ||
| 345 | T | 95.9 | Very high | 97 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | trans | -62.1 | 118.4 | 164.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | P352 N353 E356 | T345-P352 WeakPolarHBondContact OG1-CA 3.1Å; T345-N353 PolarHBondContact OG1-N 3.46Å; T345-E356 WeakPolarHBondContact CB-OE1 3.45Å; T345-E356 PolarHBondContact N-OE1 3.37Å; T345-E356 PolarHBondContact OG1-OE1 3.32Å | ||
| 346 | K | 95.9 | Very high | 96.9 | Very high | 97 Ų | 97 | 67.6 Ų | 67.6 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | trans | -129.4 | 157.3 | 174.4 | -62.5 | 171.6 | -171.1 | 162.5 | 0 | 110.1 | D344 I348 H349 | D344-K346 PolarHBondContact O-N 3.16Å; D344-K346 WeakPolarHBondContact OD2-CE 3.2Å; D344-K346 IonicContact OD2-NZ 2.73Å; D344-K346 PolarHBondContact OD2-NZ 3.15Å; K346-I348 HydrophobicContact CB-CG2 4.23Å; K346-I348 PolarHBondContact O-N 2.83Å; K346-H349 PolarHBondContact N-ND1 3.04Å; K346-H349 WeakPolarHBondContact O-CB 3.41Å; K346-H349 PolarHBondContact O-N 3.34Å; K346-H349 PolarHBondContact O-ND1 3.06Å | ||
| 347 | F | 94.8 | Very high | 96.7 | Very high | 209 Ų | 209 | 75.1 Ų | 75.1 | 92% | 0.917 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -46.9 | -37.9 | -177.7 | -70.4 | -67.1 | 0 | 0 | 0 | 114.6 | H349 T350 | F347-H349 PolarHBondContact O-N 2.81Å; F347-H349 VanDerWaalsContact O-N 3.13Å; F347-T350 PolarHBondContact O-N 2.98Å; F347-T350 VanDerWaalsContact O-N 3.12Å |
| 348 | I | 94.7 | Very high | 96.6 | Very high | 95 Ų | 95 | 76.2 Ų | 76.2 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -55.9 | -27.2 | 178.6 | -167.6 | 60 | 0 | 0 | 0 | 114.1 | M302 V318 K346 | M302-I348 HydrophobicContact CE-CD1 4.46Å; M302-I348 HydrophobicContact CE-CG1 3.82Å; M302-I348 HydrophobicContact SD-CD1 3.84Å; M302-I348 HydrophobicContact SD-CG1 3.83Å; V318-I348 VanDerWaalsContact CG1-O 3.22Å; V318-I348 WeakPolarHBondContact CG1-O 3.29Å; K346-I348 HydrophobicContact CB-CG2 4.23Å; K346-I348 PolarHBondContact O-N 2.83Å |
| 349 | H | 96.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 77.4 Ų | 77.4 | 3% | 0.032 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -75.1 | -23.9 | -178.7 | -58.9 | 80.4 | 0 | 0 | 0 | 112.8 | M319 A322 D344 K346 F347 K351 N353 | M319-H349 WeakPolarHBondContact CA-O 3.33Å; M319-H349 HydrophobicContact CB-CB 4.22Å; M319-H349 WeakPolarHBondContact CB-O 3.27Å; M319-H349 HydrophobicContact CG-CB 4.18Å; M319-H349 PolarHBondContact N-O 3.27Å; A322-H349 VanDerWaalsContact CB-CD2 3.41Å; A322-H349 WeakPolarHBondContact CB-CD2 3.32Å; D344-H349 PolarHBondContact O-CE1 3.06Å; K346-H349 PolarHBondContact N-ND1 3.04Å; K346-H349 WeakPolarHBondContact O-CB 3.41Å; K346-H349 PolarHBondContact O-N 3.34Å; K346-H349 PolarHBondContact O-ND1 3.06Å; F347-H349 PolarHBondContact O-N 2.81Å; F347-H349 VanDerWaalsContact O-N 3.13Å; H349-K351 VanDerWaalsContact CB-O 3.25Å; H349-K351 WeakPolarHBondContact CB-O 3.33Å; H349-K351 PolarHBondContact O-N 2.95Å; H349-N353 PolarHBondContact NE2-ND2 3.39Å |
| 350 | T | 95.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 72.4 Ų | 72.4 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 58.8 | -8.4 | -173.5 | 78.3 | 0 | 0 | 0 | 0 | 117.1 | K315 V318 F347 | K315-T350 WeakPolarHBondContact CB-OG1 3.49Å; K315-T350 PolarHBondContact O-OG1 2.86Å; V318-T350 HydrophobicContact CB-CG2 4.44Å; V318-T350 HydrophobicContact CG1-CG2 3.87Å; F347-T350 PolarHBondContact O-N 2.98Å; F347-T350 VanDerWaalsContact O-N 3.12Å |
| 351 | K | 96.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 72 Ų | 72 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -140.8 | 159.2 | 173.8 | -78.8 | -73.1 | -173.8 | 173.7 | 0 | 109.2 | K315 M319 H349 N353 | K315-K351 HydrophobicContact CB-CG 3.84Å; M319-K351 HydrophobicContact CB-CB 4.11Å; M319-K351 HydrophobicContact CG-CB 4.34Å; H349-K351 VanDerWaalsContact CB-O 3.25Å; H349-K351 WeakPolarHBondContact CB-O 3.33Å; H349-K351 PolarHBondContact O-N 2.95Å; K351-N353 PolarHBondContact O-N 3.42Å |
| 352 | P | 97.1 | Very high | 96.7 | Very high | 90 Ų | 90 | 75.6 Ų | 75.6 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | trans | -54.9 | 134.3 | 169.6 | -24.5 | 34.9 | 0 | 0 | 0 | 111.5 | T345 R354 | T345-P352 WeakPolarHBondContact OG1-CA 3.1Å; P352-R354 PolarHBondContact O-N 3.22Å | ||
| 353 | N | 97.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | trans | -71 | 120.5 | 176.3 | -173.2 | -20 | 0 | 0 | 0 | 108.9 | V323 Q343 T345 H349 K351 F355 E356 | V323-N353 WeakPolarHBondContact CG2-ND2 3.47Å; V323-N353 WeakPolarHBondContact CG2-OD1 3.44Å; Q343-N353 VanDerWaalsContact O-CG 3.24Å; Q343-N353 PolarHBondContact O-ND2 2.89Å; Q343-N353 PolarHBondContact OE1-ND2 2.89Å; T345-N353 PolarHBondContact OG1-N 3.46Å; H349-N353 PolarHBondContact NE2-ND2 3.39Å; K351-N353 PolarHBondContact O-N 3.42Å; N353-F355 PolarHBondContact O-N 2.87Å; N353-F355 WeakPolarHBondContact OD1-CB 3.5Å; N353-F355 PolarHBondContact OD1-N 3.43Å; N353-E356 HydrophobicContact CB-CG 4.22Å | ||
| 354 | R | 97.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 74.3 Ų | 74.3 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -2.4 | -177.6 | -56.1 | -173.2 | -169 | -152 | 3.5 | 113.3 | N316 M319 P352 L375 P377 | N316-R354 PolarHBondContact OD1-NH2 3.11Å; N316-R354 VanDerWaalsContact OD1-NH2 3.11Å; M319-R354 HydrophobicContact CE-CG 3.95Å; M319-R354 HydrophobicContact SD-CG 4.44Å; P352-R354 PolarHBondContact O-N 3.22Å; R354-L375 WeakPolarHBondContact CD-O 3.43Å; R354-L375 PolarHBondContact NH1-O 3.45Å; R354-P377 HydrophobicContact CB-CG 3.9Å; R354-P377 WeakPolarHBondContact O-CG 3.42Å |
| 355 | F | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 76.6 Ų | 76.6 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 7.9 | -175.6 | -63.5 | -112.8 | 0 | 0 | 0 | 112.7 | L320 V323 Y327 Q343 N353 E357 V358 L371 I373 P377 | L320-F355 HydrophobicContact CD1-CE2 3.72Å; L320-F355 HydrophobicContact CD1-CZ 3.69Å; V323-F355 HydrophobicContact CB-CD2 4.16Å; V323-F355 HydrophobicContact CB-CE2 4.31Å; V323-F355 HydrophobicContact CG1-CB 4.1Å; V323-F355 HydrophobicContact CG1-CD1 3.74Å; V323-F355 HydrophobicContact CG1-CD2 3.56Å; V323-F355 HydrophobicContact CG1-CE1 3.87Å; V323-F355 HydrophobicContact CG1-CE2 3.73Å; V323-F355 HydrophobicContact CG1-CG 3.56Å; V323-F355 HydrophobicContact CG1-CZ 3.85Å; V323-F355 HydrophobicContact CG2-CB 4.37Å; V323-F355 HydrophobicContact CG2-CD2 3.65Å; V323-F355 HydrophobicContact CG2-CE2 4.15Å; V323-F355 HydrophobicContact CG2-CG 4.19Å; Y327-F355 AromaticContact CE2-CD1 3.69Å; Y327-F355 HydrophobicContact CE2-CD1 3.69Å; Y327-F355 HydrophobicContact CE2-CE1 4.09Å; Y327-F355 HydrophobicContact CE2-CG 4.39Å; Y327-F355 WeakPolarHBondContact OH-CD1 3.46Å; Q343-F355 HydrophobicContact CB-CB 4.29Å; Q343-F355 WeakPolarHBondContact CB-O 3.43Å; Q343-F355 HydrophobicContact CG-CB 4.27Å; N353-F355 PolarHBondContact O-N 2.87Å; N353-F355 WeakPolarHBondContact OD1-CB 3.5Å; N353-F355 PolarHBondContact OD1-N 3.43Å; F355-E357 PolarHBondContact O-N 2.91Å; F355-V358 HydrophobicContact CB-CB 4.19Å; F355-V358 HydrophobicContact CD1-CB 4.31Å; F355-V358 HydrophobicContact CD1-CG1 4.32Å; F355-V358 PolarHBondContact O-N 3.38Å; F355-L371 HydrophobicContact CE1-CD1 4.43Å; F355-L371 HydrophobicContact CE1-CD2 4.39Å; F355-I373 HydrophobicContact CZ-CG2 4.27Å; F355-P377 HydrophobicContact CD1-CB 3.5Å; F355-P377 HydrophobicContact CD1-CG 3.97Å; F355-P377 HydrophobicContact CD2-CB 4.04Å; F355-P377 HydrophobicContact CD2-CG 3.71Å; F355-P377 HydrophobicContact CE1-CB 3.24Å; F355-P377 HydrophobicContact CE1-CG 4.03Å; F355-P377 HydrophobicContact CE2-CB 3.77Å; F355-P377 HydrophobicContact CE2-CG 3.73Å; F355-P377 HydrophobicContact CG-CB 3.93Å; F355-P377 HydrophobicContact CG-CG 3.85Å; F355-P377 HydrophobicContact CZ-CB 3.4Å; F355-P377 HydrophobicContact CZ-CG 3.92Å |
| 356 | E | 95.5 | Very high | 96.8 | Very high | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -42.3 | 179.7 | -81.5 | 178.2 | -178 | 0 | 0 | 113.2 | Q343 T345 N353 | Q343-E356 WeakPolarHBondContact O-CG 3.23Å; T345-E356 WeakPolarHBondContact CB-OE1 3.45Å; T345-E356 PolarHBondContact N-OE1 3.37Å; T345-E356 PolarHBondContact OG1-OE1 3.32Å; N353-E356 HydrophobicContact CB-CG 4.22Å |
| 357 | E | 94.6 | Very high | 96.9 | Very high | 195 Ų | 195 | 79.1 Ų | 79.1 | 91% | 0.911 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.4 | 178.6 | -59.2 | -175.1 | 161.1 | 0 | 0 | 113.3 | F355 A359 | F355-E357 PolarHBondContact O-N 2.91Å; E357-A359 PolarHBondContact O-N 3.3Å |
| 358 | V | 97.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | trans | -101.6 | 89 | -173.3 | -174 | 0 | 0 | 0 | 0 | 110.8 | Y327 F355 L371 P377 | Y327-V358 PolarHBondContact OH-O 3.36Å; F355-V358 HydrophobicContact CB-CB 4.19Å; F355-V358 HydrophobicContact CD1-CB 4.31Å; F355-V358 HydrophobicContact CD1-CG1 4.32Å; F355-V358 PolarHBondContact O-N 3.38Å; V358-L371 HydrophobicContact CG1-CD1 3.52Å; V358-P377 HydrophobicContact CG2-CB 4.42Å; V358-P377 HydrophobicContact CG2-CG 4.27Å | ||
| 359 | A | 97.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 51% | 0.512 | 34% | 0.336 | S | S | . | . | trans | -73.2 | 128 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N338 E357 T361 V379 | N338-A359 WeakPolarHBondContact OD1-CA 3.44Å; E357-A359 PolarHBondContact O-N 3.3Å; A359-T361 PolarHBondContact O-N 3.03Å; A359-V379 WeakPolarHBondContact O-CG2 3.34Å | ||
| 360 | W | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | trans | -83.1 | 99.2 | 175.1 | -171.4 | -10.8 | 0 | 0 | 0 | 109.5 | M169 Y269 F270 Y271 Y327 W328 P337 N338 L371 I373 | M169-W360 HydrophobicContact CE-CE3 4.37Å; M169-W360 HydrophobicContact CE-CH2 3.63Å; M169-W360 HydrophobicContact CE-CZ2 4.41Å; M169-W360 HydrophobicContact CE-CZ3 3.62Å; M169-W360 HydrophobicContact CG-CH2 3.72Å; M169-W360 HydrophobicContact CG-CZ2 4.04Å; M169-W360 HydrophobicContact SD-CH2 3.48Å; M169-W360 WeakPolarHBondContact SD-CH2 3.36Å; M169-W360 HydrophobicContact SD-CZ2 4.37Å; M169-W360 HydrophobicContact SD-CZ3 3.94Å; Y269-W360 AromaticContact CD1-CD1 3.97Å; Y269-W360 HydrophobicContact CD1-CG 4.25Å; Y269-W360 WeakPolarHBondContact CE1-O 3.44Å; F270-W360 PolarHBondContact O-NE1 3.36Å; Y271-W360 AromaticContact CD1-CH2 3.96Å; Y271-W360 HydrophobicContact CD1-CH2 3.96Å; Y271-W360 HydrophobicContact CD1-CZ2 4.19Å; Y271-W360 HydrophobicContact CG-CH2 4.3Å; Y271-W360 HydrophobicContact CG-CZ2 4.41Å; Y327-W360 AromaticContact CD1-CE3 3.97Å; Y327-W360 HydrophobicContact CD1-CE3 3.97Å; Y327-W360 HydrophobicContact CD2-CE3 4.24Å; Y327-W360 HydrophobicContact CD2-CZ3 4.43Å; Y327-W360 HydrophobicContact CE1-CB 4.29Å; Y327-W360 HydrophobicContact CE1-CE3 4.41Å; Y327-W360 AromaticContact CG-CE3 3.87Å; Y327-W360 HydrophobicContact CG-CE3 3.87Å; Y327-W360 HydrophobicContact CG-CZ3 4.14Å; W328-W360 HydrophobicContact CE3-CZ3 4.48Å; W328-W360 HydrophobicContact CH2-CH2 4.46Å; W328-W360 HydrophobicContact CZ3-CH2 4.09Å; W328-W360 AromaticContact CZ3-CZ3 3.97Å; W328-W360 HydrophobicContact CZ3-CZ3 3.97Å; P337-W360 HydrophobicContact CB-CD2 4.31Å; P337-W360 HydrophobicContact CB-CE3 3.71Å; P337-W360 HydrophobicContact CB-CZ3 4.19Å; P337-W360 HydrophobicContact CG-CB 4.07Å; P337-W360 HydrophobicContact CG-CD2 3.88Å; P337-W360 HydrophobicContact CG-CE3 3.8Å; P337-W360 HydrophobicContact CG-CG 4.03Å; N338-W360 PolarHBondContact ND2-O 2.94Å; N338-W360 PolarHBondContact OD1-N 2.94Å; W360-L371 HydrophobicContact CB-CD2 4.22Å; W360-L371 HydrophobicContact CD2-CB 3.78Å; W360-L371 HydrophobicContact CD2-CD2 3.61Å; W360-L371 HydrophobicContact CD2-CG 4.34Å; W360-L371 HydrophobicContact CE3-CB 4.45Å; W360-L371 HydrophobicContact CE3-CD2 3.48Å; W360-L371 VanDerWaalsContact CE3-CD2 3.48Å; W360-L371 HydrophobicContact CG-CB 3.8Å; W360-L371 HydrophobicContact CG-CD2 3.95Å; W360-L371 HydrophobicContact CG-CG 4.43Å; W360-L371 HydrophobicContact CZ2-CB 4.4Å; W360-L371 HydrophobicContact CZ3-CD2 4.06Å; W360-I373 HydrophobicContact CH2-CD1 4.49Å | ||
| 361 | T | 98.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 148.3 | 177.7 | -44.7 | 0 | 0 | 0 | 0 | 111.8 | A359 L369 | A359-T361 PolarHBondContact O-N 3.03Å; T361-L369 HydrophobicContact CG2-CD1 3.54Å |
| 362 | R | 98.6 | Very high | 97.7 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.8 | 172.1 | -73.7 | 179.6 | -177.4 | -170.6 | 0.1 | 111.7 | T268 Y269 | T268-R362 WeakPolarHBondContact O-CA 3.39Å; Y269-R362 HydrophobicContact CD1-CG 4.27Å; Y269-R362 HydrophobicContact CE1-CB 4.4Å; Y269-R362 HydrophobicContact CE1-CG 3.55Å; Y269-R362 HydrophobicContact CE2-CG 3.96Å; Y269-R362 WeakPolarHBondContact OH-CG 3.43Å; Y269-R362 PolarHBondContact OH-NE 3.3Å |
| 363 | Y | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 144.7 | 168.1 | -173.2 | -87.3 | 0 | 0 | 0 | 110.3 | A258 D259 T268 F270 Q368 L369 | A258-Y363 HydrophobicContact CB-CD1 3.84Å; A258-Y363 HydrophobicContact CB-CE1 3.51Å; A258-Y363 HydrophobicContact CB-CE2 4.43Å; A258-Y363 HydrophobicContact CB-CG 4.43Å; D259-Y363 PolarHBondContact OD1-OH 2.93Å; T268-Y363 HydrophobicContact CG2-CD1 4.08Å; T268-Y363 HydrophobicContact CG2-CG 4.34Å; T268-Y363 PolarHBondContact O-N 3.42Å; F270-Y363 HydrophobicContact CB-CD2 3.46Å; F270-Y363 VanDerWaalsContact CB-CD2 3.46Å; F270-Y363 HydrophobicContact CB-CE2 4.09Å; F270-Y363 HydrophobicContact CB-CG 4.04Å; F270-Y363 HydrophobicContact CD2-CD2 4.47Å; F270-Y363 HydrophobicContact CD2-CE2 4.4Å; F270-Y363 HydrophobicContact CG-CD2 4.14Å; F270-Y363 HydrophobicContact CG-CE2 4.29Å; Y363-Q368 HydrophobicContact CE2-CB 3.77Å; Y363-Q368 HydrophobicContact CE2-CG 4.21Å; Y363-Q368 WeakPolarHBondContact OH-CG 3.33Å; Y363-Q368 PolarHBondContact OH-NE2 3.46Å; Y363-Q368 VanDerWaalsContact OH-NE2 3.14Å; Y363-L369 WeakPolarHBondContact CD2-O 3.38Å |
| 364 | N | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | trans | -151.7 | 153.1 | 165.5 | 73 | 73.1 | 0 | 0 | 0 | 108.9 | K366 D367 Q368 | N364-K366 PolarHBondContact O-N 3.2Å; N364-K366 VanDerWaalsContact O-N 3.07Å; N364-K366 WeakPolarHBondContact OD1-CA 3.22Å; N364-K366 VanDerWaalsContact OD1-CB 3.29Å; N364-K366 WeakPolarHBondContact OD1-CB 3.35Å; N364-K366 PolarHBondContact OD1-N 2.79Å; N364-D367 PolarHBondContact ND2-OD2 3.43Å; N364-D367 PolarHBondContact O-N 3.38Å; N364-D367 PolarHBondContact OD1-N 2.64Å; N364-D367 PolarHBondContact OD1-OD2 3Å; N364-Q368 VanDerWaalsContact O-CA 3.27Å; N364-Q368 WeakPolarHBondContact O-CA 3.48Å; N364-Q368 PolarHBondContact O-N 3.22Å | ||
| 365 | Q | 96.2 | Very high | 97.8 | Very high | 113 Ų | 113 | 53 Ų | 53 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.3 | -177.1 | -177.7 | 179.4 | 52.4 | 0 | 0 | 115.2 | D259 S262 Q368 | D259-Q365 HydrophobicContact CB-CB 4.41Å; D259-Q365 HydrophobicContact CB-CG 4.19Å; D259-Q365 VanDerWaalsContact OD1-CA 3.25Å; D259-Q365 WeakPolarHBondContact OD1-CA 3.44Å; D259-Q365 WeakPolarHBondContact OD1-CB 3.45Å; D259-Q365 WeakPolarHBondContact OD1-CG 3.12Å; S262-Q365 PolarHBondContact OG-N 2.84Å; Q365-Q368 WeakPolarHBondContact O-CG 3.47Å |
| 366 | K | 96.6 | Very high | 97.8 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 68% | 0.683 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -48.3 | -178 | 176.5 | -176.7 | 159.4 | -83.7 | 0 | 112.5 | N364 H382 | N364-K366 PolarHBondContact O-N 3.2Å; N364-K366 VanDerWaalsContact O-N 3.07Å; N364-K366 WeakPolarHBondContact OD1-CA 3.22Å; N364-K366 VanDerWaalsContact OD1-CB 3.29Å; N364-K366 WeakPolarHBondContact OD1-CB 3.35Å; N364-K366 PolarHBondContact OD1-N 2.79Å; K366-H382 PolarHBondContact O-CE1 2.79Å |
| 367 | D | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -17.3 | -173.1 | -47.8 | -50.6 | 0 | 0 | 0 | 112.5 | N364 L369 | N364-D367 PolarHBondContact ND2-OD2 3.43Å; N364-D367 PolarHBondContact O-N 3.38Å; N364-D367 PolarHBondContact OD1-N 2.64Å; N364-D367 PolarHBondContact OD1-OD2 3Å; D367-L369 HydrophobicContact CB-CD1 4.44Å; D367-L369 HydrophobicContact CB-CG 4.02Å; D367-L369 PolarHBondContact O-N 3.29Å |
| 368 | Q | 98.5 | Very high | 98.1 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | trans | 41.7 | 43.7 | 176.9 | -58.2 | -171 | -45.9 | 0 | 0 | 114.7 | D259 Y363 N364 Q365 H382 | D259-Q368 PolarHBondContact OD1-NE2 3.34Å; D259-Q368 PolarHBondContact OD2-NE2 2.94Å; D259-Q368 VanDerWaalsContact OD2-NE2 3.13Å; Y363-Q368 HydrophobicContact CE2-CB 3.77Å; Y363-Q368 HydrophobicContact CE2-CG 4.21Å; Y363-Q368 WeakPolarHBondContact OH-CG 3.33Å; Y363-Q368 PolarHBondContact OH-NE2 3.46Å; Y363-Q368 VanDerWaalsContact OH-NE2 3.14Å; N364-Q368 VanDerWaalsContact O-CA 3.27Å; N364-Q368 WeakPolarHBondContact O-CA 3.48Å; N364-Q368 PolarHBondContact O-N 3.22Å; Q365-Q368 WeakPolarHBondContact O-CG 3.47Å; Q368-H382 PolarHBondContact O-N 3.38Å; Q368-H382 VanDerWaalsContact O-N 3.13Å; Q368-H382 PolarHBondContact OE1-ND1 3.36Å | ||
| 369 | L | 98.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 18% | 0.183 | 26% | 0.256 | C | S | . | . | trans | -71.8 | 131.2 | -177.5 | -62.2 | 178.9 | 0 | 0 | 0 | 111.8 | T361 Y363 D367 V379 K380 E381 | T361-L369 HydrophobicContact CG2-CD1 3.54Å; Y363-L369 WeakPolarHBondContact CD2-O 3.38Å; D367-L369 HydrophobicContact CB-CD1 4.44Å; D367-L369 HydrophobicContact CB-CG 4.02Å; D367-L369 PolarHBondContact O-N 3.29Å; L369-V379 HydrophobicContact CB-CG1 4.12Å; L369-V379 HydrophobicContact CD2-CG1 4.2Å; L369-K380 CarbonylContact C-O 3.41Å; L369-K380 WeakPolarHBondContact CA-O 3.41Å; L369-E381 HydrophobicContact CD2-CB 3.93Å | ||
| 370 | Y | 98.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 52 Ų | 52 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.4 | 177.9 | 71.5 | -81.1 | 0 | 0 | 0 | 112.6 | F270 A272 H372 V379 K380 E381 Y383 | F270-Y370 HydrophobicContact CD1-CG 4.44Å; F270-Y370 VanDerWaalsContact O-CA 3.26Å; F270-Y370 WeakPolarHBondContact O-CA 3.43Å; F270-Y370 WeakPolarHBondContact O-CB 3.26Å; A272-Y370 HydrophobicContact CB-CD2 3.88Å; A272-Y370 HydrophobicContact CB-CE2 3.85Å; Y370-H372 HydrophobicContact CE2-CB 4.25Å; Y370-V379 WeakPolarHBondContact O-CA 3.44Å; Y370-K380 HydrophobicContact CD1-CB 4.09Å; Y370-K380 WeakPolarHBondContact CD1-O 3.45Å; Y370-K380 HydrophobicContact CE1-CB 3.41Å; Y370-K380 VanDerWaalsContact CE1-CB 3.41Å; Y370-K380 HydrophobicContact CE2-CB 4.01Å; Y370-K380 HydrophobicContact CE2-CD 4.27Å; Y370-K380 PolarHBondContact N-O 3.18Å; Y370-K380 PolarHBondContact O-N 3.42Å; Y370-K380 WeakPolarHBondContact OH-CB 3.34Å; Y370-K380 WeakPolarHBondContact OH-CD 3.5Å; Y370-E381 WeakPolarHBondContact CE1-O 3.48Å; Y370-Y383 HydrophobicContact CD2-CD2 4.4Å; Y370-Y383 HydrophobicContact CE1-CD2 4.07Å; Y370-Y383 HydrophobicContact CE1-CG 4.29Å; Y370-Y383 AromaticContact CE2-CD2 3.68Å; Y370-Y383 HydrophobicContact CE2-CD2 3.68Å; Y370-Y383 HydrophobicContact CE2-CE2 4.33Å; Y370-Y383 HydrophobicContact CE2-CG 4.32Å; Y370-Y383 AromaticContact CZ-CD2 3.48Å; Y370-Y383 VanDerWaalsContact CZ-CD2 3.48Å; Y370-Y383 WeakPolarHBondContact OH-CD2 3.41Å |
| 371 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.7 | 171 | -178.9 | 62.1 | 0 | 0 | 0 | 110.4 | F270 Y271 A272 Y327 F355 V358 W360 I373 | F270-L371 PolarHBondContact O-N 3.09Å; Y271-L371 VanDerWaalsContact CA-O 3.31Å; Y271-L371 WeakPolarHBondContact CA-O 3.43Å; A272-L371 PolarHBondContact N-O 3.01Å; Y327-L371 HydrophobicContact CD2-CD2 4.16Å; Y327-L371 HydrophobicContact CE2-CD2 3.67Å; F355-L371 HydrophobicContact CE1-CD1 4.43Å; F355-L371 HydrophobicContact CE1-CD2 4.39Å; V358-L371 HydrophobicContact CG1-CD1 3.52Å; W360-L371 HydrophobicContact CB-CD2 4.22Å; W360-L371 HydrophobicContact CD2-CB 3.78Å; W360-L371 HydrophobicContact CD2-CD2 3.61Å; W360-L371 HydrophobicContact CD2-CG 4.34Å; W360-L371 HydrophobicContact CE3-CB 4.45Å; W360-L371 HydrophobicContact CE3-CD2 3.48Å; W360-L371 VanDerWaalsContact CE3-CD2 3.48Å; W360-L371 HydrophobicContact CG-CB 3.8Å; W360-L371 HydrophobicContact CG-CD2 3.95Å; W360-L371 HydrophobicContact CG-CG 4.43Å; W360-L371 HydrophobicContact CZ2-CB 4.4Å; W360-L371 HydrophobicContact CZ3-CD2 4.06Å; L371-I373 HydrophobicContact CB-CG1 4.44Å; L371-I373 HydrophobicContact CD2-CD1 4.19Å; L371-I373 HydrophobicContact CD2-CG1 3.74Å; L371-I373 HydrophobicContact CG-CG1 3.75Å; L371-I373 PolarHBondContact O-N 3.24Å |
| 372 | H | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 104 | 166.1 | 171.9 | 87.6 | 0 | 0 | 0 | 108.8 | Y274 Y370 K376 P377 R378 K380 | Y274-H372 WeakPolarHBondContact CB-CE1 3.33Å; Y274-H372 AromaticContact CD1-CE1 3.46Å; Y274-H372 VanDerWaalsContact CD1-CE1 3.46Å; Y274-H372 WeakPolarHBondContact CD1-CE1 3.4Å; Y274-H372 AromaticContact CD1-ND1 3.94Å; Y274-H372 AromaticContact CD2-CE1 3.71Å; Y274-H372 AromaticContact CD2-ND1 3.38Å; Y274-H372 WeakPolarHBondContact CD2-ND1 3.5Å; Y274-H372 AromaticContact CE2-ND1 3.87Å; Y274-H372 AromaticContact CG-CE1 3.22Å; Y274-H372 AromaticContact CG-ND1 3.42Å; Y370-H372 HydrophobicContact CE2-CB 4.25Å; H372-K376 PolarHBondContact CD2-O 3.42Å; H372-P377 WeakPolarHBondContact O-CA 3.48Å; H372-R378 WeakPolarHBondContact CB-O 3.02Å; H372-R378 PolarHBondContact N-O 3.23Å; H372-K380 HydrophobicContact CB-CD 4.29Å |
| 373 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.1 | -178.4 | -58.8 | 178.5 | 0 | 0 | 0 | 109.1 | Y271 A272 F273 Y274 L320 V324 W328 F355 W360 L371 | Y271-I373 HydrophobicContact CD2-CD1 3.98Å; Y271-I373 HydrophobicContact CG-CD1 3.85Å; A272-I373 PolarHBondContact O-N 3.34Å; F273-I373 HydrophobicContact CD2-CB 3.83Å; F273-I373 HydrophobicContact CD2-CD1 4.31Å; F273-I373 HydrophobicContact CD2-CG2 3.59Å; F273-I373 HydrophobicContact CE2-CB 4.29Å; F273-I373 HydrophobicContact CE2-CG2 3.51Å; F273-I373 HydrophobicContact CZ-CG2 4.49Å; Y274-I373 PolarHBondContact N-O 2.94Å; L320-I373 HydrophobicContact CD1-CG2 3.91Å; V324-I373 HydrophobicContact CG2-CG2 4.09Å; W328-I373 HydrophobicContact CH2-CD1 4.04Å; W328-I373 HydrophobicContact CZ3-CD1 3.96Å; F355-I373 HydrophobicContact CZ-CG2 4.27Å; W360-I373 HydrophobicContact CH2-CD1 4.49Å; L371-I373 HydrophobicContact CB-CG1 4.44Å; L371-I373 HydrophobicContact CD2-CD1 4.19Å; L371-I373 HydrophobicContact CD2-CG1 3.74Å; L371-I373 HydrophobicContact CG-CG1 3.75Å; L371-I373 PolarHBondContact O-N 3.24Å |
| 374 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 173.5 | -165.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K376 P377 | G374-K376 PolarHBondContact O-N 2.89Å; G374-P377 WeakPolarHBondContact O-CD 3.47Å |
| 375 | L | 97.6 | Very high | 98.2 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.7 | -3.6 | -175 | -56.7 | -174.7 | 0 | 0 | 0 | 115.2 | N316 M319 R354 | N316-L375 HydrophobicContact CB-CD1 4.25Å; N316-L375 HydrophobicContact CB-CD2 3.86Å; M319-L375 HydrophobicContact CE-CD2 4.15Å; R354-L375 WeakPolarHBondContact CD-O 3.43Å; R354-L375 PolarHBondContact NH1-O 3.45Å |
| 376 | K | 97.8 | Very high | 98.3 | Very high | 164 Ų | 164 | 56.5 Ų | 56.5 | 71% | 0.713 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -129.8 | 61.6 | 172.5 | -66.8 | -178.1 | 179.9 | 176.7 | 0 | 110 | H372 G374 R378 | H372-K376 PolarHBondContact CD2-O 3.42Å; G374-K376 PolarHBondContact O-N 2.89Å; K376-R378 PolarHBondContact O-NH1 3.26Å |
| 377 | P | 97.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | trans | -68.5 | 146.8 | -168.1 | 32.4 | -37.7 | 0 | 0 | 0 | 112 | R354 F355 V358 H372 G374 | R354-P377 HydrophobicContact CB-CG 3.9Å; R354-P377 WeakPolarHBondContact O-CG 3.42Å; F355-P377 HydrophobicContact CD1-CB 3.5Å; F355-P377 HydrophobicContact CD1-CG 3.97Å; F355-P377 HydrophobicContact CD2-CB 4.04Å; F355-P377 HydrophobicContact CD2-CG 3.71Å; F355-P377 HydrophobicContact CE1-CB 3.24Å; F355-P377 HydrophobicContact CE1-CG 4.03Å; F355-P377 HydrophobicContact CE2-CB 3.77Å; F355-P377 HydrophobicContact CE2-CG 3.73Å; F355-P377 HydrophobicContact CG-CB 3.93Å; F355-P377 HydrophobicContact CG-CG 3.85Å; F355-P377 HydrophobicContact CZ-CB 3.4Å; F355-P377 HydrophobicContact CZ-CG 3.92Å; V358-P377 HydrophobicContact CG2-CB 4.42Å; V358-P377 HydrophobicContact CG2-CG 4.27Å; H372-P377 WeakPolarHBondContact O-CA 3.48Å; G374-P377 WeakPolarHBondContact O-CD 3.47Å | ||
| 378 | R | 98.1 | Very high | 98.4 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 153.3 | 175.1 | 51.3 | -161.4 | -172.6 | -74.5 | 9.5 | 110.1 | H372 K376 K380 | H372-R378 WeakPolarHBondContact CB-O 3.02Å; H372-R378 PolarHBondContact N-O 3.23Å; K376-R378 PolarHBondContact O-NH1 3.26Å; R378-K380 HydrophobicContact CG-CG 4.18Å |
| 379 | V | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.285 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140 | 161.9 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | A359 L369 Y370 | A359-V379 WeakPolarHBondContact O-CG2 3.34Å; L369-V379 HydrophobicContact CB-CG1 4.12Å; L369-V379 HydrophobicContact CD2-CG1 4.2Å; Y370-V379 WeakPolarHBondContact O-CA 3.44Å |
| 380 | K | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 170.9 | 173.6 | -73.3 | -175.8 | 174 | -171.3 | 0 | 108.6 | L369 Y370 H372 R378 | L369-K380 CarbonylContact C-O 3.41Å; L369-K380 WeakPolarHBondContact CA-O 3.41Å; Y370-K380 HydrophobicContact CD1-CB 4.09Å; Y370-K380 WeakPolarHBondContact CD1-O 3.45Å; Y370-K380 HydrophobicContact CE1-CB 3.41Å; Y370-K380 VanDerWaalsContact CE1-CB 3.41Å; Y370-K380 HydrophobicContact CE2-CB 4.01Å; Y370-K380 HydrophobicContact CE2-CD 4.27Å; Y370-K380 PolarHBondContact N-O 3.18Å; Y370-K380 PolarHBondContact O-N 3.42Å; Y370-K380 WeakPolarHBondContact OH-CB 3.34Å; Y370-K380 WeakPolarHBondContact OH-CD 3.5Å; H372-K380 HydrophobicContact CB-CD 4.29Å; R378-K380 HydrophobicContact CG-CG 4.18Å |
| 381 | E | 98.5 | Very high | 98.4 | Very high | 131 Ų | 131 | 50.4 Ų | 50.4 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -118.6 | 157.8 | 179.3 | 59.7 | -167 | -152.1 | 0 | 0 | 111.1 | L369 Y370 Y383 | L369-E381 HydrophobicContact CD2-CB 3.93Å; Y370-E381 WeakPolarHBondContact CE1-O 3.48Å; E381-Y383 PolarHBondContact O-N 3.49Å |
| 382 | H | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 52 | 55.9 | 166.6 | -60.6 | -60.7 | 0 | 0 | 0 | 114.9 | K366 Q368 R384 A385 | K366-H382 PolarHBondContact O-CE1 2.79Å; Q368-H382 PolarHBondContact O-N 3.38Å; Q368-H382 VanDerWaalsContact O-N 3.13Å; Q368-H382 PolarHBondContact OE1-ND1 3.36Å; H382-R384 PolarHBondContact O-N 2.94Å; H382-A385 HydrophobicContact CB-CB 3.85Å; H382-A385 PolarHBondContact O-N 2.94Å; H382-A385 VanDerWaalsContact O-N 3.16Å |
| 383 | Y | 98.7 | Very high | 98.2 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 110.7 | -177 | -174.2 | -120.7 | 0 | 0 | 0 | 112.4 | V172 V251 F270 A272 Y274 Y370 E381 A385 | V172-Y383 HydrophobicContact CG2-CD1 4.34Å; V172-Y383 HydrophobicContact CG2-CE1 3.57Å; V251-Y383 HydrophobicContact CG1-CD1 3.61Å; V251-Y383 HydrophobicContact CG1-CE1 3.6Å; V251-Y383 HydrophobicContact CG2-CE1 4.11Å; F270-Y383 HydrophobicContact CE1-CD1 4.09Å; A272-Y383 HydrophobicContact CB-CD2 4.03Å; A272-Y383 HydrophobicContact CB-CE1 4.19Å; A272-Y383 HydrophobicContact CB-CE2 3.6Å; A272-Y383 HydrophobicContact CB-CG 4.49Å; Y274-Y383 AromaticContact CE2-CE2 3.79Å; Y274-Y383 HydrophobicContact CE2-CE2 3.79Å; Y274-Y383 WeakPolarHBondContact OH-CE2 3.38Å; Y370-Y383 HydrophobicContact CD2-CD2 4.4Å; Y370-Y383 HydrophobicContact CE1-CD2 4.07Å; Y370-Y383 HydrophobicContact CE1-CG 4.29Å; Y370-Y383 AromaticContact CE2-CD2 3.68Å; Y370-Y383 HydrophobicContact CE2-CD2 3.68Å; Y370-Y383 HydrophobicContact CE2-CE2 4.33Å; Y370-Y383 HydrophobicContact CE2-CG 4.32Å; Y370-Y383 AromaticContact CZ-CD2 3.48Å; Y370-Y383 VanDerWaalsContact CZ-CD2 3.48Å; Y370-Y383 WeakPolarHBondContact OH-CD2 3.41Å; E381-Y383 PolarHBondContact O-N 3.49Å; Y383-A385 PolarHBondContact O-N 3.46Å |
| 384 | R | 98.4 | Very high | 98.1 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 27% | 0.268 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 29.9 | 178 | -55.7 | 176.2 | 65.7 | 103.1 | 0.9 | 113.3 | A243 D247 H382 N386 K387 V388 | A243-R384 VanDerWaalsContact CB-NH2 3.29Å; D247-R384 VanDerWaalsContact CG-NH2 3.3Å; D247-R384 IonicContact OD1-CZ 2.8Å; D247-R384 VanDerWaalsContact OD1-CZ 3.26Å; D247-R384 IonicContact OD1-NE 3.71Å; D247-R384 PolarHBondContact OD1-NE 3.23Å; D247-R384 IonicContact OD1-NH2 3.88Å; D247-R384 PolarHBondContact OD1-NH2 2.54Å; D247-R384 VanDerWaalsContact OD1-NH2 3.11Å; D247-R384 IonicContact OD2-CZ 2.67Å; D247-R384 IonicContact OD2-NE 2.72Å; D247-R384 IonicContact OD2-NH2 3.54Å; D247-R384 PolarHBondContact OD2-NH2 2.79Å; H382-R384 PolarHBondContact O-N 2.94Å; R384-N386 VanDerWaalsContact C-N 3.28Å; R384-N386 PolarHBondContact O-N 3.23Å; R384-K387 WeakPolarHBondContact O-CA 3.14Å; R384-K387 WeakPolarHBondContact O-CB 3.35Å; R384-K387 PolarHBondContact O-N 3.43Å; R384-V388 PolarHBondContact O-N 2.9Å; R384-V388 VanDerWaalsContact O-N 3.15Å |
| 385 | A | 98.1 | Very high | 98 | Very high | 33 Ų | 33 | 61.9 Ų | 61.9 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53.3 | -35.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | H382 Y383 K387 V388 N389 | H382-A385 HydrophobicContact CB-CB 3.85Å; H382-A385 PolarHBondContact O-N 2.94Å; H382-A385 VanDerWaalsContact O-N 3.16Å; Y383-A385 PolarHBondContact O-N 3.46Å; A385-K387 PolarHBondContact O-N 3.27Å; A385-V388 PolarHBondContact O-N 3.5Å; A385-N389 VanDerWaalsContact O-CB 3.23Å; A385-N389 WeakPolarHBondContact O-CB 3.02Å; A385-N389 PolarHBondContact O-N 2.91Å |
| 386 | N | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 62.9 Ų | 62.9 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.4 | -31.1 | 174.9 | -67.1 | -27 | 0 | 0 | 0 | 113.5 | R384 L390 | R384-N386 VanDerWaalsContact C-N 3.28Å; R384-N386 PolarHBondContact O-N 3.23Å; N386-L390 WeakPolarHBondContact O-CB 3.23Å; N386-L390 PolarHBondContact O-N 3.46Å |
| 387 | K | 98.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -86.3 | -37.6 | 178.1 | -59.8 | -54 | -167.2 | 168.6 | 0 | 111.8 | M224 Y225 D247 R384 A385 L390 W391 | M224-K387 VanDerWaalsContact C-NZ 3.33Å; M224-K387 PolarHBondContact O-NZ 2.88Å; Y225-K387 HydrophobicContact CE1-CD 3.94Å; Y225-K387 HydrophobicContact CE1-CG 4.5Å; Y225-K387 HydrophobicContact CE2-CD 4.49Å; D247-K387 HydrophobicContact CB-CB 4.43Å; R384-K387 WeakPolarHBondContact O-CA 3.14Å; R384-K387 WeakPolarHBondContact O-CB 3.35Å; R384-K387 PolarHBondContact O-N 3.43Å; A385-K387 PolarHBondContact O-N 3.27Å; K387-L390 WeakPolarHBondContact O-CB 3.48Å; K387-L390 PolarHBondContact O-N 3.42Å; K387-W391 PolarHBondContact O-N 3.41Å |
| 388 | V | 98.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 172.4 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | V251 V255 R384 A385 L390 W391 L392 | V251-V388 HydrophobicContact CG1-CG2 3.88Å; V255-V388 HydrophobicContact CB-CG1 3.9Å; V255-V388 HydrophobicContact CB-CG2 4.44Å; V255-V388 HydrophobicContact CG1-CG1 3.73Å; V255-V388 HydrophobicContact CG2-CG1 4.46Å; V255-V388 HydrophobicContact CG2-CG2 4.14Å; R384-V388 PolarHBondContact O-N 2.9Å; R384-V388 VanDerWaalsContact O-N 3.15Å; A385-V388 PolarHBondContact O-N 3.5Å; V388-L390 VanDerWaalsContact C-N 3.33Å; V388-L390 PolarHBondContact O-N 3.36Å; V388-W391 PolarHBondContact O-N 3.05Å; V388-L392 HydrophobicContact CG1-CD1 3.55Å; V388-L392 HydrophobicContact CG1-CG 4.07Å; V388-L392 WeakPolarHBondContact O-CG 3.3Å; V388-L392 PolarHBondContact O-N 3.42Å |
| 389 | N | 98.2 | Very high | 96.7 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 179.5 | -170.4 | -86.3 | 0 | 0 | 0 | 112.6 | A385 W391 E393 L394 | A385-N389 VanDerWaalsContact O-CB 3.23Å; A385-N389 WeakPolarHBondContact O-CB 3.02Å; A385-N389 PolarHBondContact O-N 2.91Å; N389-W391 VanDerWaalsContact C-N 3.32Å; N389-W391 PolarHBondContact O-N 2.71Å; N389-E393 WeakPolarHBondContact ND2-CG 3.35Å; N389-E393 WeakPolarHBondContact O-CB 3.29Å; N389-E393 PolarHBondContact O-N 2.91Å; N389-L394 PolarHBondContact O-N 3.04Å |
| 390 | L | 98.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -54.3 | -48.3 | 169.2 | 167.2 | 65.8 | 0 | 0 | 0 | 111.4 | M224 Y225 N386 K387 V388 L394 V395 | M224-L390 HydrophobicContact CB-CD2 3.68Å; M224-L390 HydrophobicContact CE-CB 4.32Å; M224-L390 HydrophobicContact CE-CD1 4.31Å; M224-L390 HydrophobicContact CE-CD2 4.14Å; M224-L390 HydrophobicContact CG-CD1 4.05Å; M224-L390 HydrophobicContact CG-CD2 3.91Å; Y225-L390 HydrophobicContact CD2-CD2 4.48Å; Y225-L390 HydrophobicContact CE2-CD2 3.76Å; N386-L390 WeakPolarHBondContact O-CB 3.23Å; N386-L390 PolarHBondContact O-N 3.46Å; K387-L390 WeakPolarHBondContact O-CB 3.48Å; K387-L390 PolarHBondContact O-N 3.42Å; V388-L390 VanDerWaalsContact C-N 3.33Å; V388-L390 PolarHBondContact O-N 3.36Å; L390-L394 HydrophobicContact CD1-CB 4.35Å; L390-L394 HydrophobicContact CD1-CD2 3.9Å; L390-L394 HydrophobicContact CD1-CG 4.37Å; L390-L394 PolarHBondContact O-N 3.23Å; L390-V395 HydrophobicContact CD1-CG2 3.91Å; L390-V395 HydrophobicContact CG-CG2 4.23Å; L390-V395 WeakPolarHBondContact O-CB 3.44Å; L390-V395 VanDerWaalsContact O-CG2 3.22Å; L390-V395 WeakPolarHBondContact O-CG2 3.07Å; L390-V395 PolarHBondContact O-N 3.11Å |
| 391 | W | 98.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -78.9 | -34.3 | -176.5 | -67.7 | 128.6 | 0 | 0 | 0 | 114.4 | F203 Y208 I221 Y225 L244 H248 A252 K387 V388 N389 V395 P396 | F203-W391 HydrophobicContact CE1-CH2 4.09Å; Y208-W391 HydrophobicContact CE2-CZ3 4.28Å; I221-W391 HydrophobicContact CD1-CH2 3.66Å; I221-W391 HydrophobicContact CD1-CZ3 3.64Å; I221-W391 HydrophobicContact CG1-CH2 3.88Å; I221-W391 HydrophobicContact CG1-CZ3 4.06Å; I221-W391 HydrophobicContact CG2-CH2 3.99Å; I221-W391 HydrophobicContact CG2-CZ2 4.49Å; Y225-W391 AromaticContact CE2-CZ2 3.74Å; Y225-W391 HydrophobicContact CE2-CZ2 3.74Å; Y225-W391 AromaticContact CZ-NE1 3.92Å; Y225-W391 PolarHBondContact OH-NE1 2.65Å; L244-W391 HydrophobicContact CD2-CZ2 4.43Å; L244-W391 HydrophobicContact CG-CZ2 4.17Å; H248-W391 HydrophobicContact CB-CD2 4.31Å; H248-W391 HydrophobicContact CB-CZ2 4.06Å; H248-W391 AromaticContact CD2-CD2 3.81Å; H248-W391 AromaticContact CD2-CE3 3.56Å; H248-W391 AromaticContact CD2-CZ3 3.78Å; A252-W391 HydrophobicContact CB-CB 3.84Å; A252-W391 HydrophobicContact CB-CG 4.41Å; K387-W391 PolarHBondContact O-N 3.41Å; V388-W391 PolarHBondContact O-N 3.05Å; N389-W391 VanDerWaalsContact C-N 3.32Å; N389-W391 PolarHBondContact O-N 2.71Å; W391-V395 HydrophobicContact CE3-CB 4.09Å; W391-V395 HydrophobicContact CE3-CG1 4.03Å; W391-V395 HydrophobicContact CE3-CG2 3.65Å; W391-V395 HydrophobicContact CZ3-CG1 4.24Å; W391-V395 HydrophobicContact CZ3-CG2 3.9Å; W391-P396 VanDerWaalsContact O-CD 3.28Å; W391-P396 WeakPolarHBondContact O-CD 3.45Å |
| 392 | L | 97.3 | Very high | 93.9 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -88.8 | -26.2 | -176.4 | -61.2 | -174.6 | 0 | 0 | 0 | 114 | A252 A256 V388 | A252-L392 HydrophobicContact CB-CD2 4.08Å; A252-L392 HydrophobicContact CB-CG 4.23Å; A256-L392 HydrophobicContact CB-CD1 4Å; A256-L392 HydrophobicContact CB-CD2 4.11Å; V388-L392 HydrophobicContact CG1-CD1 3.55Å; V388-L392 HydrophobicContact CG1-CG 4.07Å; V388-L392 WeakPolarHBondContact O-CG 3.3Å; V388-L392 PolarHBondContact O-N 3.42Å |
| 393 | E | 96.6 | Very high | 92.2 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | I | π-helix | trans | -116.8 | -58.5 | -175.7 | -58.2 | -74.5 | 170.9 | 0 | 0 | 112.1 | N389 H397 | N389-E393 WeakPolarHBondContact ND2-CG 3.35Å; N389-E393 WeakPolarHBondContact O-CB 3.29Å; N389-E393 PolarHBondContact O-N 2.91Å; E393-H397 PolarHBondContact O-N 2.89Å |
| 394 | L | 96.9 | Very high | 90.1 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -73.2 | -43.3 | -170.2 | 179.2 | 59 | 0 | 0 | 0 | 112.4 | T220 N389 L390 H397 L398 | T220-L394 HydrophobicContact CG2-CD2 4.34Å; N389-L394 PolarHBondContact O-N 3.04Å; L390-L394 HydrophobicContact CD1-CB 4.35Å; L390-L394 HydrophobicContact CD1-CD2 3.9Å; L390-L394 HydrophobicContact CD1-CG 4.37Å; L390-L394 PolarHBondContact O-N 3.23Å; L394-H397 WeakPolarHBondContact O-CB 3.48Å; L394-H397 PolarHBondContact O-N 3.3Å; L394-L398 HydrophobicContact CD1-CD1 4.17Å; L394-L398 HydrophobicContact CD1-CD2 4.39Å; L394-L398 HydrophobicContact CD1-CG 4Å; L394-L398 HydrophobicContact CG-CD1 4.01Å; L394-L398 HydrophobicContact CG-CG 4.26Å; L394-L398 WeakPolarHBondContact O-CG 3.38Å; L394-L398 PolarHBondContact O-N 3.41Å |
| 395 | V | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | -178 | 161.8 | 0 | 0 | 0 | 0 | 112.5 | Y208 L217 L390 W391 H397 L398 H399 | Y208-V395 HydrophobicContact CE1-CG1 3.81Å; Y208-V395 HydrophobicContact CE2-CG1 4.42Å; Y208-V395 VanDerWaalsContact OH-CG1 3.28Å; Y208-V395 WeakPolarHBondContact OH-CG1 3.46Å; L217-V395 HydrophobicContact CD1-CB 4.2Å; L217-V395 HydrophobicContact CD1-CG1 3.79Å; L217-V395 HydrophobicContact CD1-CG2 3.84Å; L390-V395 HydrophobicContact CD1-CG2 3.91Å; L390-V395 HydrophobicContact CG-CG2 4.23Å; L390-V395 WeakPolarHBondContact O-CB 3.44Å; L390-V395 VanDerWaalsContact O-CG2 3.22Å; L390-V395 WeakPolarHBondContact O-CG2 3.07Å; L390-V395 PolarHBondContact O-N 3.11Å; W391-V395 HydrophobicContact CE3-CB 4.09Å; W391-V395 HydrophobicContact CE3-CG1 4.03Å; W391-V395 HydrophobicContact CE3-CG2 3.65Å; W391-V395 HydrophobicContact CZ3-CG1 4.24Å; W391-V395 HydrophobicContact CZ3-CG2 3.9Å; V395-H397 VanDerWaalsContact C-N 3.29Å; V395-H397 PolarHBondContact O-N 3.02Å; V395-L398 PolarHBondContact O-N 2.9Å; V395-H399 WeakPolarHBondContact O-CB 3.41Å; V395-H399 PolarHBondContact O-N 3.49Å |
| 396 | P | 93.4 | Very high | 85.2 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | 171.6 | -29 | 37.3 | 0 | 0 | 0 | 112.9 | W391 H399 S400 | W391-P396 VanDerWaalsContact O-CD 3.28Å; W391-P396 WeakPolarHBondContact O-CD 3.45Å; P396-H399 PolarHBondContact O-N 3.18Å; P396-S400 PolarHBondContact O-N 3.2Å; P396-S400 PolarHBondContact O-OG 3.24Å |
| 397 | H | 92.4 | Very high | 82.4 | Confident | 111 Ų | 111 | 66.4 Ų | 66.4 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 174.6 | -177.2 | 62.1 | 0 | 0 | 0 | 111.9 | E393 L394 V395 H399 S400 L401 | E393-H397 PolarHBondContact O-N 2.89Å; L394-H397 WeakPolarHBondContact O-CB 3.48Å; L394-H397 PolarHBondContact O-N 3.3Å; V395-H397 VanDerWaalsContact C-N 3.29Å; V395-H397 PolarHBondContact O-N 3.02Å; H397-H399 VanDerWaalsContact C-N 3.31Å; H397-H399 PolarHBondContact O-N 2.76Å; H397-S400 PolarHBondContact O-N 2.88Å; H397-S400 PolarHBondContact O-OG 3.3Å; H397-L401 WeakPolarHBondContact O-CG 3.41Å; H397-L401 PolarHBondContact O-N 3.15Å |
| 398 | L | 91.1 | Very high | 79.5 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 178.1 | -67.5 | 179.9 | 0 | 0 | 0 | 113.2 | I216 L217 T220 L394 V395 L401 | I216-L398 HydrophobicContact CG2-CD2 3.87Å; L217-L398 HydrophobicContact CD1-CB 4.32Å; T220-L398 HydrophobicContact CG2-CD1 3.81Å; L394-L398 HydrophobicContact CD1-CD1 4.17Å; L394-L398 HydrophobicContact CD1-CD2 4.39Å; L394-L398 HydrophobicContact CD1-CG 4Å; L394-L398 HydrophobicContact CG-CD1 4.01Å; L394-L398 HydrophobicContact CG-CG 4.26Å; L394-L398 WeakPolarHBondContact O-CG 3.38Å; L394-L398 PolarHBondContact O-N 3.41Å; V395-L398 PolarHBondContact O-N 2.9Å; L398-L401 HydrophobicContact CD2-CD1 4.34Å |
| 399 | H | 87.3 | Confident | 76.5 | Confident | 54 Ų | 54 | 76 Ų | 76 | 25% | 0.25 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.3 | -47 | 177.6 | -171.3 | 63.8 | 0 | 0 | 0 | 111.2 | Y208 V395 P396 H397 L401 N402 E403 | Y208-H399 AromaticContact CD1-ND1 3.85Å; Y208-H399 PolarHBondContact O-CE1 3.43Å; V395-H399 WeakPolarHBondContact O-CB 3.41Å; V395-H399 PolarHBondContact O-N 3.49Å; P396-H399 PolarHBondContact O-N 3.18Å; H397-H399 VanDerWaalsContact C-N 3.31Å; H397-H399 PolarHBondContact O-N 2.76Å; H399-L401 VanDerWaalsContact C-N 3.25Å; H399-L401 PolarHBondContact O-N 3.13Å; H399-N402 WeakPolarHBondContact O-CB 3.34Å; H399-N402 PolarHBondContact O-N 2.98Å; H399-E403 PolarHBondContact O-N 3.39Å |
| 400 | S | 85.9 | Confident | 73.4 | Confident | 47 Ų | 47 | 78 Ų | 78 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -30 | 177.2 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | P396 H397 N402 E403 V404 | P396-S400 PolarHBondContact O-N 3.2Å; P396-S400 PolarHBondContact O-OG 3.24Å; H397-S400 PolarHBondContact O-N 2.88Å; H397-S400 PolarHBondContact O-OG 3.3Å; S400-N402 VanDerWaalsContact C-N 3.3Å; S400-N402 PolarHBondContact O-N 2.93Å; S400-E403 PolarHBondContact O-N 2.86Å; S400-V404 WeakPolarHBondContact O-CG2 3.46Å; S400-V404 PolarHBondContact O-N 2.85Å |
| 401 | L | 81.9 | Confident | 70.5 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -32.9 | 174.2 | -68.4 | 174.6 | 0 | 0 | 0 | 112.6 | H397 L398 H399 T405 | H397-L401 WeakPolarHBondContact O-CG 3.41Å; H397-L401 PolarHBondContact O-N 3.15Å; L398-L401 HydrophobicContact CD2-CD1 4.34Å; H399-L401 VanDerWaalsContact C-N 3.25Å; H399-L401 PolarHBondContact O-N 3.13Å; L401-T405 PolarHBondContact O-OG1 2.88Å |
| 402 | N | 68.9 | Low | 67.5 | Low | 28 Ų | 28 | 89.3 Ų | 89.3 | 15% | 0.15 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 176.5 | -70.8 | -16.5 | 0 | 0 | 0 | 111.1 | K214 H399 S400 V404 T405 | K214-N402 PolarHBondContact O-OD1 3Å; H399-N402 WeakPolarHBondContact O-CB 3.34Å; H399-N402 PolarHBondContact O-N 2.98Å; S400-N402 VanDerWaalsContact C-N 3.3Å; S400-N402 PolarHBondContact O-N 2.93Å; N402-V404 VanDerWaalsContact C-N 3.33Å; N402-V404 PolarHBondContact O-N 3.08Å; N402-T405 PolarHBondContact O-N 2.74Å |
| 403 | E | 63.1 | Low | 64.5 | Low | 137 Ų | 137 | 95.4 Ų | 95.4 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -30.8 | 177.5 | -61.5 | -169 | 137.2 | 0 | 0 | 113.6 | H399 S400 T405 P406 | H399-E403 PolarHBondContact O-N 3.39Å; S400-E403 PolarHBondContact O-N 2.86Å; E403-T405 VanDerWaalsContact C-N 3.29Å; E403-T405 PolarHBondContact O-N 2.69Å; E403-P406 WeakPolarHBondContact O-CD 3.31Å |
| 404 | V | 55.6 | Low | 61.6 | Low | 110 Ų | 110 | 96.7 Ų | 96.7 | 67% | 0.667 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.3 | -178.5 | 174.7 | 0 | 0 | 0 | 0 | 113 | S400 N402 | S400-V404 WeakPolarHBondContact O-CG2 3.46Å; S400-V404 PolarHBondContact O-N 2.85Å; N402-V404 VanDerWaalsContact C-N 3.33Å; N402-V404 PolarHBondContact O-N 3.08Å |
| 405 | T | 48.4 | Very low | 58.7 | Low | 82 Ų | 82 | 98.5 Ų | 98.5 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.4 | -176.6 | -56.4 | 0 | 0 | 0 | 0 | 117.7 | L401 N402 E403 L407 | L401-T405 PolarHBondContact O-OG1 2.88Å; N402-T405 PolarHBondContact O-N 2.74Å; E403-T405 VanDerWaalsContact C-N 3.29Å; E403-T405 PolarHBondContact O-N 2.69Å; T405-L407 PolarHBondContact O-N 2.96Å |
| 406 | P | 43.8 | Very low | 55.8 | Low | 91 Ų | 91 | 104 Ų | 104 | 59% | 0.591 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 26.5 | -179.2 | 34.9 | -34.7 | 0 | 0 | 0 | 114.8 | E403 | E403-P406 WeakPolarHBondContact O-CD 3.31Š|
| 407 | L | 41 | Very low | 53.2 | Low | 156 Ų | 156 | 107 Ų | 107 | 82% | 0.817 | 60% | 0.603 | S | S | * | * | trans | -123.7 | 58 | 175 | -71.6 | 175.7 | 0 | 0 | 0 | 112.9 | T405 P409 | T405-L407 PolarHBondContact O-N 2.96Å; L407-P409 WeakPolarHBondContact O-CD 3.03Å | ||
| 408 | I | 36 | Very low | 50.3 | Low | 147 Ų | 147 | 110.6 Ų | 110.6 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -76.3 | 115.8 | 156.1 | -59.9 | 177.6 | 0 | 0 | 0 | 107.3 | T410 | I408-T410 PolarHBondContact O-N 3.1Å; I408-T410 VanDerWaalsContact O-N 3.1Å | ||
| 409 | P | 36.9 | Very low | 47.5 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 71% | 0.708 | 65% | 0.654 | S | S | * | * | trans | -68.1 | 114.1 | 179.2 | 27 | -33.2 | 0 | 0 | 0 | 109.9 | L407 T411 | L407-P409 WeakPolarHBondContact O-CD 3.03Å; P409-T411 PolarHBondContact O-N 2.98Å | ||
| 410 | T | 32.9 | Very low | 44.9 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -60 | 107.5 | 171.2 | -50.5 | 0 | 0 | 0 | 0 | 108.8 | I408 T412 | I408-T410 PolarHBondContact O-N 3.1Å; I408-T410 VanDerWaalsContact O-N 3.1Å; T410-T412 PolarHBondContact O-N 3.13Å | ||
| 411 | T | 37.4 | Very low | 42.2 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | -63.7 | 122.1 | 178.1 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | P409 K413 | P409-T411 PolarHBondContact O-N 2.98Å; T411-K413 PolarHBondContact O-N 2.82Å | ||
| 412 | T | 35.5 | Very low | 39.6 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -65.8 | 99.4 | -171.6 | -30.5 | 0 | 0 | 0 | 0 | 110.6 | T410 I414 | T410-T412 PolarHBondContact O-N 3.13Å; T412-I414 PolarHBondContact O-N 3.2Å; T412-I414 VanDerWaalsContact O-N 3.13Å | ||
| 413 | K | 34.2 | Very low | 37.7 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 108.9 | 166.2 | -78.2 | -174 | 177.3 | 177.4 | 0 | 108.6 | T411 | T411-K413 PolarHBondContact O-N 2.82Š| ||
| 414 | I | 35.2 | Very low | 36.5 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.6 | 176.3 | -62.4 | 164.1 | 0 | 0 | 0 | 109.3 | T412 | T412-I414 PolarHBondContact O-N 3.2Å; T412-I414 VanDerWaalsContact O-N 3.13Å |
| 415 | P | 35.4 | Very low | 35.3 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 145 | 171.4 | -14.6 | 29.3 | 0 | 0 | 0 | 111.1 | ||
| 416 | P | 36.1 | Very low | 34.4 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 144.6 | 173.5 | 29.5 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 417 | P | 37.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.6 | -177.9 | 28.3 | -34.1 | 0 | 0 | 0 | 111.9 | ||
| 418 | E | 33 | Very low | 33.2 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.2 | 178.1 | -67.3 | -174.9 | 132 | 0 | 0 | 112.5 | T420 | E418-T420 PolarHBondContact O-N 3.25Š|
| 419 | A | 30.9 | Very low | 32.8 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -82.2 | 101 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N421 | A419-N421 PolarHBondContact O-N 2.91Š| ||
| 420 | T | 32.7 | Very low | 32.5 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 120.3 | 173 | 40.2 | 0 | 0 | 0 | 0 | 111.7 | E418 | E418-T420 PolarHBondContact O-N 3.25Š|
| 421 | N | 29.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138.4 | 177.2 | -83.1 | -46.6 | 0 | 0 | 0 | 112.3 | A419 | A419-N421 PolarHBondContact O-N 2.91Š|
| 422 | R | 27.9 | Very low | 32 | Very low | 238 Ų | 238 | 150.8 Ų | 150.8 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 142.3 | 172.8 | -82.2 | 178.8 | 162.8 | -179.6 | -3.9 | 112.3 | ||
| 423 | T | 28.9 | Very low | 31.7 | Very low | 140 Ų | 140 | 155.8 Ų | 155.8 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -130.2 | 156.2 | 148.8 | 40.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 424 | P | 38.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | trans | -127.4 | 175.7 | -136.7 | 41.6 | -29.2 | 0 | 0 | 0 | 117.7 | ||||
| 425 | K | 29.1 | Very low | 31.8 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | 89.5 | 134.2 | 171.7 | -53 | 164.8 | -173.3 | 175.6 | 0 | 112.5 | ||||
| 426 | T | 30 | Very low | 32.1 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | -148.7 | 163.5 | 51.9 | -57 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 427 | K | 29.9 | Very low | 32 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -70.3 | 148.3 | -179.2 | -52 | 169.1 | 178.7 | 177 | 0 | 113.4 | ||||
| 428 | V | 30.8 | Very low | 32.5 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -151.3 | 147.9 | 130.3 | 171 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 429 | L | 27.3 | Very low | 32.4 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -111.5 | 149.2 | 177 | -178.7 | 83.1 | 0 | 0 | 0 | 108.9 | ||||
| 430 | V | 29.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | trans | 175 | 148.2 | 134 | 150.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 431 | T | 29.5 | Very low | 33.1 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -65 | 157.6 | -172.2 | 52.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 432 | K | 30.1 | Very low | 33.1 | Very low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | -173.7 | 165.7 | 74.2 | -89.2 | -176.3 | 177.4 | 173.4 | 0 | 114.2 | |||||
| 433 | R | 30.3 | Very low | 33.1 | Very low | 235 Ų | 235 | 143.8 Ų | 143.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -88.9 | 166.6 | 170.2 | -118.5 | -179 | -164.5 | -179.1 | 4.9 | 110.7 | ||||
| 434 | P | 36.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -149.9 | 173.3 | 66.1 | 39.6 | -18.8 | 0 | 0 | 0 | 118.5 | |||||
| 435 | N | 35.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -110.5 | 161.5 | 165.4 | -108.1 | 20.2 | 0 | 0 | 0 | 108.6 | ||||
| 436 | P | 41.4 | Very low | 32.5 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | -149.7 | 154.3 | 100.9 | 36.6 | -18.5 | 0 | 0 | 0 | 117.5 | |||||
| 437 | T | 34.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -90.9 | 172.5 | 162.3 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 438 | P | 48.2 | Very low | 32.3 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | -162.2 | 154.3 | 72.1 | 40.4 | -17.2 | 0 | 0 | 0 | 121.3 | |||||
| 439 | F | 30.1 | Very low | 32.4 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | 38.7 | 162.5 | 131.1 | -66.9 | -73.3 | 0 | 0 | 0 | 123.9 | ||||
| 440 | P | 47.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -124.4 | 165.8 | 26.6 | 14.8 | 13.3 | 0 | 0 | 0 | 116.5 | ||||
| 441 | T | 30.7 | Very low | 32.9 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | cis | 85.7 | 130.8 | 47.4 | -42.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 442 | E | 29 | Very low | 33.3 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -164.9 | 160.1 | 23.5 | -144 | 168.8 | 156.1 | 0 | 0 | 117.9 | ||||
| 443 | T | 28.1 | Very low | 33.5 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 66 | 136.5 | 146.5 | 36.2 | 0 | 0 | 0 | 0 | 129.6 | ||||
| 444 | Q | 29.5 | Very low | 33.9 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | 82.8 | 130.8 | 140.3 | -76.3 | -178.1 | 39.7 | 0 | 0 | 124.7 | ||||
| 445 | G | 26.7 | Very low | 33.9 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | 128.8 | 77.6 | 128.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 446 | S | 26.8 | Very low | 34.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | 51.2 | 144.2 | 142.3 | -145 | 0 | 0 | 0 | 0 | 126 | ||||
| 447 | H | 29 | Very low | 35 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 80.7 | 125.3 | 153.6 | -82.4 | -59.5 | 0 | 0 | 0 | 124.7 | ||||
| 448 | N | 27.6 | Very low | 35.9 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 77.5 | 113.7 | 138.3 | -65.5 | -1.6 | 0 | 0 | 0 | 123.4 | ||||
| 449 | Q | 32.3 | Very low | 36.7 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 72.1 | 162.8 | 139.4 | -90.6 | -166.2 | -9.2 | 0 | 0 | 119.7 | ||||
| 450 | P | 38.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -86.8 | 142.3 | -150.2 | 33.6 | -35.9 | 0 | 0 | 0 | 113.8 | L452 | P450-L452 PolarHBondContact O-N 3.24Š| ||
| 451 | H | 29.2 | Very low | 39.3 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -75.5 | 109.6 | 175.8 | -104.5 | -73 | 0 | 0 | 0 | 112.2 | ||||
| 452 | L | 37.3 | Very low | 41.1 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.8 | 145.5 | -84.1 | 145.6 | 0 | 0 | 0 | 108.8 | P450 | P450-L452 PolarHBondContact O-N 3.24Š|
| 453 | V | 35.1 | Very low | 43.2 | Very low | 131 Ų | 131 | 140 Ų | 140 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 128.5 | 167 | 174.5 | 0 | 0 | 0 | 0 | 107.9 | ||
| 454 | D | 38.9 | Very low | 45.8 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133.8 | 179.2 | -153.1 | -16.1 | 0 | 0 | 0 | 110 | R456 | D454-R456 PolarHBondContact OD1-N 3.27Š|
| 455 | Q | 36.9 | Very low | 48.5 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | -143.9 | 57.8 | 165.8 | -158.4 | 170.6 | 13.7 | 0 | 0 | 110.8 | D457 | Q455-D457 PolarHBondContact O-N 3.27Š| ||
| 456 | R | 48.9 | Very low | 51.4 | Low | 207 Ų | 207 | 136.4 Ų | 136.4 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | -72.1 | 113.1 | 155.2 | -71.9 | 174.9 | 170.8 | 178.6 | -0.7 | 109.1 | D454 | D454-R456 PolarHBondContact OD1-N 3.27Š| ||
| 457 | D | 50.5 | Low | 54.1 | Low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -178.7 | 51.5 | 141.3 | -89.1 | -16 | 0 | 0 | 0 | 111.7 | Q455 | Q455-D457 PolarHBondContact O-N 3.27Š| ||
| 458 | Y | 54 | Low | 57.1 | Low | 198 Ų | 198 | 130.2 Ų | 130.2 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -134.3 | 2.9 | 170.3 | -88.4 | -81.1 | 0 | 0 | 0 | 113.4 | L462 | Y458-L462 WeakPolarHBondContact O-CB 3.29Š|
| 459 | S | 63.3 | Low | 60.1 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -85.2 | -33.2 | -162.8 | -164.9 | 0 | 0 | 0 | 0 | 114.3 | S463 | S459-S463 WeakPolarHBondContact O-CB 3.44Å; S459-S463 PolarHBondContact O-N 2.86Å; S459-S463 PolarHBondContact O-OG 2.85Å |
| 460 | T | 65.6 | Low | 62.8 | Low | 109 Ų | 109 | 119.5 Ų | 119.5 | 67% | 0.669 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.1 | -54 | -172.9 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | L462 S463 V464 | T460-L462 PolarHBondContact O-N 3.27Å; T460-S463 PolarHBondContact O-N 3.29Å; T460-V464 WeakPolarHBondContact O-CG2 3.37Å; T460-V464 PolarHBondContact O-N 2.9Å |
| 461 | E | 66.6 | Low | 65.2 | Low | 158 Ų | 158 | 117.4 Ų | 117.4 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | -176.6 | -61.7 | -174.5 | 168.3 | 0 | 0 | 112.5 | V464 T465 | E461-V464 PolarHBondContact O-N 3.34Å; E461-T465 WeakPolarHBondContact O-CB 3.23Å; E461-T465 PolarHBondContact O-N 3.11Å; E461-T465 PolarHBondContact O-OG1 2.94Å |
| 462 | L | 70.4 | Confident | 68.1 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.4 | -43.7 | 175 | -173.5 | 63.4 | 0 | 0 | 0 | 111.4 | Y458 T460 T465 I466 | Y458-L462 WeakPolarHBondContact O-CB 3.29Å; T460-L462 PolarHBondContact O-N 3.27Å; L462-T465 PolarHBondContact O-N 3.37Å; L462-I466 HydrophobicContact CD1-CD1 4.25Å; L462-I466 HydrophobicContact CG-CD1 3.94Å; L462-I466 WeakPolarHBondContact O-CB 3.46Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.5Å; L462-I466 PolarHBondContact O-N 3.42Å |
| 463 | S | 72 | Confident | 70.7 | Confident | 65 Ų | 65 | 110.8 Ų | 110.8 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.2 | -38.8 | 177.3 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | S459 T460 A467 | S459-S463 WeakPolarHBondContact O-CB 3.44Å; S459-S463 PolarHBondContact O-N 2.86Å; S459-S463 PolarHBondContact O-OG 2.85Å; T460-S463 PolarHBondContact O-N 3.29Å; S463-A467 VanDerWaalsContact O-CB 3.28Å; S463-A467 WeakPolarHBondContact O-CB 3.24Å; S463-A467 PolarHBondContact O-N 3.25Å |
| 464 | V | 82.9 | Confident | 73.3 | Confident | 92 Ų | 92 | 110.8 Ų | 110.8 | 56% | 0.558 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.4 | -44 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | T460 E461 I466 A467 V468 | T460-V464 WeakPolarHBondContact O-CG2 3.37Å; T460-V464 PolarHBondContact O-N 2.9Å; E461-V464 PolarHBondContact O-N 3.34Å; V464-I466 PolarHBondContact O-N 3.07Å; V464-A467 PolarHBondContact O-N 3.28Å; V464-V468 HydrophobicContact CG1-CG2 4.43Å; V464-V468 WeakPolarHBondContact O-CG2 3.4Å; V464-V468 PolarHBondContact O-N 3.23Å |
| 465 | T | 85.5 | Confident | 75.8 | Confident | 97 Ų | 97 | 110 Ų | 110 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.4 | -43.7 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | E461 L462 G469 | E461-T465 WeakPolarHBondContact O-CB 3.23Å; E461-T465 PolarHBondContact O-N 3.11Å; E461-T465 PolarHBondContact O-OG1 2.94Å; L462-T465 PolarHBondContact O-N 3.37Å; T465-G469 PolarHBondContact O-N 3Å |
| 466 | I | 87.3 | Confident | 78.1 | Confident | 107 Ų | 107 | 106 Ų | 106 | 55% | 0.549 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -43.3 | 175.3 | -68.8 | 166.8 | 0 | 0 | 0 | 111 | L462 V464 G469 A470 | L462-I466 HydrophobicContact CD1-CD1 4.25Å; L462-I466 HydrophobicContact CG-CD1 3.94Å; L462-I466 WeakPolarHBondContact O-CB 3.46Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.5Å; L462-I466 PolarHBondContact O-N 3.42Å; V464-I466 PolarHBondContact O-N 3.07Å; I466-G469 PolarHBondContact O-N 2.98Å; I466-A470 WeakPolarHBondContact O-CB 3.48Å; I466-A470 PolarHBondContact O-N 3.45Å |
| 467 | A | 85.2 | Confident | 80.1 | Confident | 54 Ų | 54 | 100.8 Ų | 100.8 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S463 V464 S471 | S463-A467 VanDerWaalsContact O-CB 3.28Å; S463-A467 WeakPolarHBondContact O-CB 3.24Å; S463-A467 PolarHBondContact O-N 3.25Å; V464-A467 PolarHBondContact O-N 3.28Å; A467-S471 WeakPolarHBondContact O-CB 3.47Å; A467-S471 PolarHBondContact O-N 3.2Å; A467-S471 PolarHBondContact O-OG 3.43Å |
| 468 | V | 91.4 | Very high | 82 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 174.4 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | V464 A470 S471 L472 | V464-V468 HydrophobicContact CG1-CG2 4.43Å; V464-V468 WeakPolarHBondContact O-CG2 3.4Å; V464-V468 PolarHBondContact O-N 3.23Å; V468-A470 PolarHBondContact O-N 2.93Å; V468-S471 PolarHBondContact O-N 3.26Å; V468-L472 HydrophobicContact CG1-CD1 4.07Å; V468-L472 WeakPolarHBondContact O-CG 3.36Å; V468-L472 PolarHBondContact O-N 2.94Å |
| 469 | G | 90.6 | Very high | 83.7 | Confident | 39 Ų | 39 | 90.7 Ų | 90.7 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | T465 I466 S471 L472 L473 | T465-G469 PolarHBondContact O-N 3Å; I466-G469 PolarHBondContact O-N 2.98Å; G469-S471 VanDerWaalsContact C-N 3.34Å; G469-S471 PolarHBondContact O-N 3.34Å; G469-L472 PolarHBondContact O-N 2.88Å; G469-L473 PolarHBondContact O-N 3.13Å |
| 470 | A | 88.8 | Confident | 84.9 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I466 V468 L473 F474 | I466-A470 WeakPolarHBondContact O-CB 3.48Å; I466-A470 PolarHBondContact O-N 3.45Å; V468-A470 PolarHBondContact O-N 2.93Å; A470-L473 PolarHBondContact O-N 2.91Å; A470-F474 WeakPolarHBondContact O-CB 3.42Å; A470-F474 PolarHBondContact O-N 3.38Å |
| 471 | S | 89 | Confident | 86 | Confident | 71 Ų | 71 | 91 Ų | 91 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | A467 V468 G469 F474 L475 | A467-S471 WeakPolarHBondContact O-CB 3.47Å; A467-S471 PolarHBondContact O-N 3.2Å; A467-S471 PolarHBondContact O-OG 3.43Å; V468-S471 PolarHBondContact O-N 3.26Å; G469-S471 VanDerWaalsContact C-N 3.34Å; G469-S471 PolarHBondContact O-N 3.34Å; S471-F474 PolarHBondContact O-N 3.42Å; S471-L475 WeakPolarHBondContact O-CG 3.34Å; S471-L475 PolarHBondContact O-N 3.38Å |
| 472 | L | 91.1 | Very high | 86.9 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 175.2 | -70.2 | 172.2 | 0 | 0 | 0 | 112.1 | V468 G469 L475 N476 | V468-L472 HydrophobicContact CG1-CD1 4.07Å; V468-L472 WeakPolarHBondContact O-CG 3.36Å; V468-L472 PolarHBondContact O-N 2.94Å; G469-L472 PolarHBondContact O-N 2.88Å; L472-L475 PolarHBondContact O-N 3.42Å; L472-N476 WeakPolarHBondContact O-CB 3.33Å; L472-N476 PolarHBondContact O-N 2.89Å; L472-N476 PolarHBondContact O-ND2 3.34Å |
| 473 | L | 90.8 | Very high | 87.6 | Confident | 113 Ų | 113 | 86.4 Ų | 86.4 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 173.4 | -168.8 | 81.2 | 0 | 0 | 0 | 111 | G469 A470 N476 I477 | G469-L473 PolarHBondContact O-N 3.13Å; A470-L473 PolarHBondContact O-N 2.91Å; L473-N476 PolarHBondContact O-N 3.35Å; L473-I477 HydrophobicContact CD2-CD1 4.49Å; L473-I477 HydrophobicContact CG-CD1 4.19Å; L473-I477 WeakPolarHBondContact O-CG1 3.43Å; L473-I477 PolarHBondContact O-N 2.94Å |
| 474 | F | 90.5 | Very high | 88.2 | Confident | 131 Ų | 131 | 91.2 Ų | 91.2 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 179.9 | -166.3 | -104.5 | 0 | 0 | 0 | 112.5 | A470 S471 I477 L478 | A470-F474 WeakPolarHBondContact O-CB 3.42Å; A470-F474 PolarHBondContact O-N 3.38Å; S471-F474 PolarHBondContact O-N 3.42Å; F474-I477 PolarHBondContact O-N 3.39Å; F474-L478 HydrophobicContact CD1-CD1 3.86Å; F474-L478 HydrophobicContact CD1-CG 4.33Å; F474-L478 HydrophobicContact CE1-CD1 3.6Å; F474-L478 HydrophobicContact CE1-CG 4.13Å; F474-L478 HydrophobicContact CZ-CD1 4.4Å; F474-L478 WeakPolarHBondContact O-CG 3.35Å; F474-L478 PolarHBondContact O-N 2.88Å |
| 475 | L | 90.1 | Very high | 88.2 | Confident | 109 Ų | 109 | 94.7 Ų | 94.7 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 173.2 | -79.9 | 169.4 | 0 | 0 | 0 | 112.4 | S471 L472 L478 A479 | S471-L475 WeakPolarHBondContact O-CG 3.34Å; S471-L475 PolarHBondContact O-N 3.38Å; L472-L475 PolarHBondContact O-N 3.42Å; L475-L478 PolarHBondContact O-N 2.95Å; L475-A479 WeakPolarHBondContact O-CB 3.28Å; L475-A479 PolarHBondContact O-N 2.91Å |
| 476 | N | 85.3 | Confident | 87.9 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.9 | -81.2 | -31.2 | 0 | 0 | 0 | 111.8 | L472 L473 L478 A479 F480 | L472-N476 WeakPolarHBondContact O-CB 3.33Å; L472-N476 PolarHBondContact O-N 2.89Å; L472-N476 PolarHBondContact O-ND2 3.34Å; L473-N476 PolarHBondContact O-N 3.35Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 2.84Å; N476-A479 PolarHBondContact O-N 3.2Å; N476-F480 VanDerWaalsContact O-CD2 3.23Å; N476-F480 WeakPolarHBondContact O-CD2 3.42Å; N476-F480 PolarHBondContact O-N 3.43Å |
| 477 | I | 91.2 | Very high | 87.6 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176 | -69 | 165.6 | 0 | 0 | 0 | 110.9 | L473 F474 F480 A481 | L473-I477 HydrophobicContact CD2-CD1 4.49Å; L473-I477 HydrophobicContact CG-CD1 4.19Å; L473-I477 WeakPolarHBondContact O-CG1 3.43Å; L473-I477 PolarHBondContact O-N 2.94Å; F474-I477 PolarHBondContact O-N 3.39Å; I477-F480 PolarHBondContact O-N 3.32Å; I477-A481 WeakPolarHBondContact O-CB 3.48Å; I477-A481 PolarHBondContact O-N 2.97Å |
| 478 | L | 91 | Very high | 87.1 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176 | -71.6 | 178 | 0 | 0 | 0 | 112.7 | F474 L475 N476 A481 A482 | F474-L478 HydrophobicContact CD1-CD1 3.86Å; F474-L478 HydrophobicContact CD1-CG 4.33Å; F474-L478 HydrophobicContact CE1-CD1 3.6Å; F474-L478 HydrophobicContact CE1-CG 4.13Å; F474-L478 HydrophobicContact CZ-CD1 4.4Å; F474-L478 WeakPolarHBondContact O-CG 3.35Å; F474-L478 PolarHBondContact O-N 2.88Å; L475-L478 PolarHBondContact O-N 2.95Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 2.84Å; L478-A481 PolarHBondContact O-N 3.42Å; L478-A482 WeakPolarHBondContact O-CB 3.46Å; L478-A482 PolarHBondContact O-N 3.4Å |
| 479 | A | 88.7 | Confident | 86.1 | Confident | 48 Ų | 48 | 99.9 Ų | 99.9 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L475 N476 A482 L483 | L475-A479 WeakPolarHBondContact O-CB 3.28Å; L475-A479 PolarHBondContact O-N 2.91Å; N476-A479 PolarHBondContact O-N 3.2Å; A479-A482 PolarHBondContact O-N 2.91Å; A479-L483 WeakPolarHBondContact O-CB 3.38Å; A479-L483 WeakPolarHBondContact O-CG 3.36Å; A479-L483 PolarHBondContact O-N 2.97Å |
| 480 | F | 88.5 | Confident | 85 | Confident | 148 Ų | 148 | 106.5 Ų | 106.5 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 174.9 | -80.8 | -67.9 | 0 | 0 | 0 | 112.3 | N476 I477 A482 L483 Y484 | N476-F480 VanDerWaalsContact O-CD2 3.23Å; N476-F480 WeakPolarHBondContact O-CD2 3.42Å; N476-F480 PolarHBondContact O-N 3.43Å; I477-F480 PolarHBondContact O-N 3.32Å; F480-A482 PolarHBondContact O-N 3.3Å; F480-L483 PolarHBondContact O-N 3.38Å; F480-Y484 WeakPolarHBondContact O-CB 3.32Å; F480-Y484 PolarHBondContact O-N 3.45Å |
| 481 | A | 89.1 | Confident | 83.8 | Confident | 54 Ų | 54 | 111.3 Ų | 111.3 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | I477 L478 Y484 Y485 | I477-A481 WeakPolarHBondContact O-CB 3.48Å; I477-A481 PolarHBondContact O-N 2.97Å; L478-A481 PolarHBondContact O-N 3.42Å; A481-Y484 PolarHBondContact O-N 2.98Å; A481-Y485 WeakPolarHBondContact O-CB 3.43Å; A481-Y485 PolarHBondContact O-N 3.41Å |
| 482 | A | 85.8 | Confident | 82.4 | Confident | 60 Ų | 60 | 114.1 Ų | 114.1 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L478 A479 F480 K486 | L478-A482 WeakPolarHBondContact O-CB 3.46Å; L478-A482 PolarHBondContact O-N 3.4Å; A479-A482 PolarHBondContact O-N 2.91Å; F480-A482 PolarHBondContact O-N 3.3Å; A482-K486 VanDerWaalsContact O-CB 3.24Å; A482-K486 WeakPolarHBondContact O-CB 3.47Å; A482-K486 PolarHBondContact O-N 3.47Å |
| 483 | L | 85 | Confident | 80.7 | Confident | 109 Ų | 109 | 113.9 Ų | 113.9 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 173.6 | -75.7 | 170.7 | 0 | 0 | 0 | 112 | A479 F480 K486 K487 | A479-L483 WeakPolarHBondContact O-CB 3.38Å; A479-L483 WeakPolarHBondContact O-CG 3.36Å; A479-L483 PolarHBondContact O-N 2.97Å; F480-L483 PolarHBondContact O-N 3.38Å; L483-K486 PolarHBondContact O-N 2.93Å; L483-K487 WeakPolarHBondContact O-CB 3.35Å; L483-K487 PolarHBondContact O-N 2.77Å |
| 484 | Y | 84.3 | Confident | 79 | Confident | 165 Ų | 165 | 113 Ų | 113 | 65% | 0.647 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 176.7 | -166 | -89.8 | 0 | 0 | 0 | 111.1 | F480 A481 K486 K487 D488 | F480-Y484 WeakPolarHBondContact O-CB 3.32Å; F480-Y484 PolarHBondContact O-N 3.45Å; A481-Y484 PolarHBondContact O-N 2.98Å; Y484-K486 VanDerWaalsContact C-N 3.33Å; Y484-K486 PolarHBondContact O-N 3.37Å; Y484-K487 WeakPolarHBondContact O-CB 3.35Å; Y484-K487 PolarHBondContact O-N 3.5Å; Y484-K487 VanDerWaalsContact O-N 3.13Å; Y484-D488 WeakPolarHBondContact O-CB 3.48Å; Y484-D488 PolarHBondContact O-N 2.89Å |
| 485 | Y | 84.1 | Confident | 77.1 | Confident | 166 Ų | 166 | 113.8 Ų | 113.8 | 65% | 0.651 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -40 | 175.5 | -172.7 | -99.8 | 0 | 0 | 0 | 112.4 | A481 D488 K489 | A481-Y485 WeakPolarHBondContact O-CB 3.43Å; A481-Y485 PolarHBondContact O-N 3.41Å; Y485-D488 PolarHBondContact O-N 3.43Å; Y485-K489 WeakPolarHBondContact O-CB 3.34Å; Y485-K489 PolarHBondContact O-N 2.97Å |
| 486 | K | 79.1 | Confident | 74.9 | Confident | 132 Ų | 132 | 119 Ų | 119 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.3 | -32.6 | 175.8 | -170.3 | 174.1 | -177.6 | 178 | 0 | 112.7 | A482 L483 Y484 R490 | A482-K486 VanDerWaalsContact O-CB 3.24Å; A482-K486 WeakPolarHBondContact O-CB 3.47Å; A482-K486 PolarHBondContact O-N 3.47Å; L483-K486 PolarHBondContact O-N 2.93Å; Y484-K486 VanDerWaalsContact C-N 3.33Å; Y484-K486 PolarHBondContact O-N 3.37Å; K486-R490 WeakPolarHBondContact O-CG 3.28Å; K486-R490 PolarHBondContact O-N 2.99Å |
| 487 | K | 79.2 | Confident | 73 | Confident | 127 Ų | 127 | 125.5 Ų | 125.5 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.5 | -41.5 | 173.8 | -176.7 | 178.6 | -179.7 | 178.6 | 0 | 111.5 | L483 Y484 R490 R491 | L483-K487 WeakPolarHBondContact O-CB 3.35Å; L483-K487 PolarHBondContact O-N 2.77Å; Y484-K487 WeakPolarHBondContact O-CB 3.35Å; Y484-K487 PolarHBondContact O-N 3.5Å; Y484-K487 VanDerWaalsContact O-N 3.13Å; K487-R490 PolarHBondContact O-N 3.38Å; K487-R491 PolarHBondContact O-N 3.42Å |
| 488 | D | 75.7 | Confident | 70.7 | Confident | 64 Ų | 64 | 126.1 Ų | 126.1 | 34% | 0.342 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.2 | -42.8 | -179.2 | -164.6 | 57.3 | 0 | 0 | 0 | 112.4 | Y484 Y485 R490 R491 H492 | Y484-D488 WeakPolarHBondContact O-CB 3.48Å; Y484-D488 PolarHBondContact O-N 2.89Å; Y485-D488 PolarHBondContact O-N 3.43Å; D488-R490 VanDerWaalsContact C-N 3.27Å; D488-R490 PolarHBondContact O-N 2.96Å; D488-R491 WeakPolarHBondContact O-CA 3.34Å; D488-R491 WeakPolarHBondContact O-CB 3.49Å; D488-R491 PolarHBondContact O-N 2.99Å; D488-H492 PolarHBondContact O-N 3.21Å; D488-H492 IonicContact OD2-CD2 3.92Å |
| 489 | K | 71.2 | Confident | 67.9 | Low | 123 Ų | 123 | 126.7 Ų | 126.7 | 54% | 0.535 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -55.4 | -41.3 | 171.6 | -173.1 | 170 | -178.8 | 173.6 | 0 | 112.4 | Y485 R491 H492 D493 | Y485-K489 WeakPolarHBondContact O-CB 3.34Å; Y485-K489 PolarHBondContact O-N 2.97Å; K489-R491 VanDerWaalsContact C-N 3.34Å; K489-R491 PolarHBondContact O-N 2.71Å; K489-H492 PolarHBondContact O-N 3.03Å; K489-D493 PolarHBondContact O-N 2.88Å |
| 490 | R | 66.5 | Low | 65.5 | Low | 178 Ų | 178 | 130.6 Ų | 130.6 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64 | -33.6 | 173.5 | -78.9 | -176.3 | 175.2 | -169.3 | -1.3 | 113.2 | K486 K487 D488 V494 | K486-R490 WeakPolarHBondContact O-CG 3.28Å; K486-R490 PolarHBondContact O-N 2.99Å; K487-R490 PolarHBondContact O-N 3.38Å; D488-R490 VanDerWaalsContact C-N 3.27Å; D488-R490 PolarHBondContact O-N 2.96Å; R490-V494 VanDerWaalsContact O-CG2 3.29Å; R490-V494 WeakPolarHBondContact O-CG2 3.14Å; R490-V494 PolarHBondContact O-N 3.47Å |
| 491 | R | 63.6 | Low | 62.9 | Low | 159 Ų | 159 | 132.6 Ų | 132.6 | 60% | 0.6 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69 | -43.3 | 174.5 | -76.1 | -178.5 | 164.6 | -173.1 | -6.7 | 111.5 | K487 D488 K489 V494 H495 | K487-R491 PolarHBondContact O-N 3.42Å; D488-R491 WeakPolarHBondContact O-CA 3.34Å; D488-R491 WeakPolarHBondContact O-CB 3.49Å; D488-R491 PolarHBondContact O-N 2.99Å; K489-R491 VanDerWaalsContact C-N 3.34Å; K489-R491 PolarHBondContact O-N 2.71Å; R491-V494 PolarHBondContact O-N 2.92Å; R491-H495 PolarHBondContact O-N 2.96Å |
| 492 | H | 59.3 | Low | 60.2 | Low | 130 Ų | 130 | 142 Ų | 142 | 60% | 0.602 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.7 | -41.6 | 175.9 | -95.5 | -62.6 | 0 | 0 | 0 | 113.1 | D488 K489 V494 H495 R496 | D488-H492 PolarHBondContact O-N 3.21Å; D488-H492 IonicContact OD2-CD2 3.92Å; K489-H492 PolarHBondContact O-N 3.03Å; H492-V494 VanDerWaalsContact C-N 3.3Å; H492-V494 PolarHBondContact O-N 3.3Å; H492-H495 PolarHBondContact O-N 3.48Å; H492-R496 PolarHBondContact O-N 3.27Å; H492-R496 VanDerWaalsContact O-N 3.11Å |
| 493 | D | 55.5 | Low | 57.5 | Low | 94 Ų | 94 | 144.9 Ų | 144.9 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.7 | -30.9 | 175.9 | -73.7 | -32 | 0 | 0 | 0 | 112.7 | K489 | K489-D493 PolarHBondContact O-N 2.88Å |
| 494 | V | 55 | Low | 55 | Low | 94 Ų | 94 | 144.6 Ų | 144.6 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -74.4 | -42.7 | 174 | 170 | 0 | 0 | 0 | 0 | 111.8 | R490 R491 H492 R496 R497 | R490-V494 VanDerWaalsContact O-CG2 3.29Å; R490-V494 WeakPolarHBondContact O-CG2 3.14Å; R490-V494 PolarHBondContact O-N 3.47Å; R491-V494 PolarHBondContact O-N 2.92Å; H492-V494 VanDerWaalsContact C-N 3.3Å; H492-V494 PolarHBondContact O-N 3.3Å; V494-R496 PolarHBondContact O-N 2.91Å; V494-R497 PolarHBondContact O-N 2.93Å; V494-R497 VanDerWaalsContact O-N 3.07Å |
| 495 | H | 50.1 | Low | 52.5 | Low | 149 Ų | 149 | 141.5 Ų | 141.5 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -64.9 | -23.9 | 176.1 | -84.7 | 25.6 | 0 | 0 | 0 | 113.3 | R491 H492 R497 | R491-H495 PolarHBondContact O-N 2.96Å; H492-H495 PolarHBondContact O-N 3.48Å; H495-R497 PolarHBondContact O-N 3.47Å |
| 496 | R | 44.5 | Very low | 50 | Low | 219 Ų | 219 | 140.6 Ų | 140.6 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -7.2 | 173.6 | -143.6 | 177.6 | -170.6 | -177.3 | 2.3 | 114.3 | H492 V494 | H492-R496 PolarHBondContact O-N 3.27Å; H492-R496 VanDerWaalsContact O-N 3.11Å; V494-R496 PolarHBondContact O-N 2.91Å |
| 497 | R | 46.4 | Very low | 47.7 | Very low | 228 Ų | 228 | 140.8 Ų | 140.8 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -4 | 179.2 | -83 | -175.8 | 170 | -178.2 | -2.8 | 115 | V494 H495 | V494-R497 PolarHBondContact O-N 2.93Å; V494-R497 VanDerWaalsContact O-N 3.07Å; H495-R497 PolarHBondContact O-N 3.47Å |
| 498 | C | 41.2 | Very low | 45.4 | Very low | 111 Ų | 111 | 142 Ų | 142 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | trans | -131.6 | 80 | 179.7 | -74.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 499 | S | 32.8 | Very low | 43.1 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | -117.7 | 115.2 | 167.1 | -52.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 500 | P | 39.1 | Very low | 41.1 | Very low | 130 Ų | 130 | 145 Ų | 145 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.1 | 174 | 7.2 | 5.5 | 0 | 0 | 0 | 110.3 | ||
| 501 | Q | 32.8 | Very low | 39.4 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118.8 | 178.6 | -162.8 | 169.6 | -3.4 | 0 | 0 | 109.8 | ||
| 502 | R | 32.1 | Very low | 37.7 | Very low | 251 Ų | 251 | 141.2 Ų | 141.2 | 95% | 0.947 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.6 | 172.1 | -86 | 179.4 | 166.6 | 173 | -4.9 | 110.2 | ||
| 503 | S | 29.5 | Very low | 36.3 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -146 | 143.6 | 154.1 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 504 | A | 33.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -111 | 147.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 505 | A | 30.6 | Very low | 34 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -162.2 | 152.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 506 | N | 33.1 | Very low | 33.2 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -92.6 | 164.6 | 174.4 | -64.3 | -12.2 | 0 | 0 | 0 | 111.7 | ||||
| 507 | D | 29.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 57 | 138 | 136.2 | -74 | -36.8 | 0 | 0 | 0 | 124.8 | ||||
| 508 | L | 30.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 66 | 106 | 149.6 | -88.3 | 88.6 | 0 | 0 | 0 | 122.8 | ||||
| 509 | A | 29.1 | Very low | 30.8 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | 77.7 | 146.5 | 113.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 510 | H | 29.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 99.1 | 111.1 | 150.8 | -99.7 | -71.4 | 0 | 0 | 0 | 122.9 | ||||
| 511 | T | 30.3 | Very low | 30.2 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | 53.8 | 125.6 | 139.1 | 40.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 512 | Q | 28 | Very low | 29.9 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 68 | 126.7 | 85.7 | -148.9 | 172.8 | -22 | 0 | 0 | 110.8 | |||||
| 513 | E | 30.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | cis | -171.4 | 159.6 | 45.1 | -156 | 147.7 | -123.9 | 0 | 0 | 110.5 | ||||
| 514 | E | 31.9 | Very low | 29.7 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | 37.9 | 162.8 | 152.5 | -68.9 | 176.3 | 169.1 | 0 | 0 | 122.3 | ||||
| 515 | E | 30.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -157.6 | 154.4 | 14.2 | -142.9 | -172.8 | 171.2 | 0 | 0 | 112.9 | ||||
| 516 | I | 31.7 | Very low | 29.4 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | 4.4 | 130.1 | 154.3 | -55.9 | 160.5 | 0 | 0 | 0 | 121.9 | ||||
| 517 | M | 26.4 | Very low | 29.2 | Very low | 185 Ų | 185 | 146 Ų | 146 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | -171.7 | 156.1 | 115.8 | -109.8 | -168.3 | -88.6 | 0 | 0 | 116.3 | |||||
| 518 | S | 28.4 | Very low | 29.1 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -97.1 | 160.4 | -168.5 | 56.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 519 | L | 28.3 | Very low | 29 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | -172 | 152.8 | 127.7 | -101.8 | 157.2 | 0 | 0 | 0 | 115.2 | |||||
| 520 | Q | 30.1 | Very low | 29 | Very low | 161 Ų | 161 | 152 Ų | 152 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -40 | 166.4 | 169.7 | -72.9 | 159.5 | -50 | 0 | 0 | 116.3 | ||||
| 521 | M | 27.6 | Very low | 28.9 | Very low | 169 Ų | 169 | 149 Ų | 149 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | cis | -160.1 | 154.5 | 26 | -156.5 | 149.1 | 151.1 | 0 | 0 | 114.1 | ||||
| 522 | K | 28.1 | Very low | 28.8 | Very low | 187 Ų | 187 | 156 Ų | 156 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -41 | 145.7 | 164.8 | -83.9 | 172.3 | 164 | 177.6 | 0 | 115.7 | ||||
| 523 | Q | 27.3 | Very low | 28.7 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | -142.9 | 133.3 | 124.3 | -154.8 | 163.9 | 8.9 | 0 | 0 | 110.5 | |||||
| 524 | H | 30 | Very low | 28.6 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -135.3 | 138 | -176.1 | -133.4 | -85.7 | 0 | 0 | 0 | 108.2 | D526 | H524-D526 IonicContact CE1-OD1 3.78Å; H524-D526 IonicContact ND1-OD1 3.26Å; H524-D526 PolarHBondContact ND1-OD1 2.93Å; H524-D526 IonicContact ND1-OD2 3.66Å | ||
| 525 | S | 27.6 | Very low | 28.4 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -177.3 | 105.1 | 157.8 | 52.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 526 | D | 29.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | 57.7 | 122.9 | 62.8 | -46.7 | -8.5 | 0 | 0 | 0 | 108.8 | H524 | H524-D526 IonicContact CE1-OD1 3.78Å; H524-D526 IonicContact ND1-OD1 3.26Å; H524-D526 PolarHBondContact ND1-OD1 2.93Å; H524-D526 IonicContact ND1-OD2 3.66Å | |||
| 527 | L | 28.4 | Very low | 27.9 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | -169.5 | 157.9 | 47 | -159.2 | 77.6 | 0 | 0 | 0 | 111.7 | ||||
| 528 | D | 28.9 | Very low | 28 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -5 | 154.9 | 153.4 | -44.4 | -29.4 | 0 | 0 | 0 | 119.3 | ||||
| 529 | R | 27.8 | Very low | 28 | Very low | 230 Ų | 230 | 148.6 Ų | 148.6 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | 178.6 | 151.1 | 55.9 | -169.8 | 160.4 | 160.4 | 163.5 | -7.3 | 115.4 | |||||
| 530 | D | 29 | Very low | 28.4 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -30.4 | 144.8 | 167.7 | -75.9 | -61.8 | 0 | 0 | 0 | 124 | ||||
| 531 | C | 26 | Very low | 28.4 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | 87.8 | 130.1 | 124.4 | -82.1 | 0 | 0 | 0 | 0 | 125 | |||||
| 532 | R | 28.7 | Very low | 28.3 | Very low | 247 Ų | 247 | 145.6 Ų | 145.6 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | 75 | 121.4 | 144.4 | -70.7 | 179.8 | 178.8 | -153.7 | -1 | 120.5 | ||||
| 533 | G | 26.5 | Very low | 28.2 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 135.6 | 104.1 | 110.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 534 | V | 27.9 | Very low | 28.3 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 95% | 0.945 | 77% | 0.772 | S | S | * | * | trans | 50.3 | 127.8 | 138.7 | -170.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 535 | G | 26.8 | Very low | 28.2 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 160.3 | 104 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 536 | D | 27.1 | Very low | 28.2 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -45.9 | 150.5 | 177.5 | -49.7 | -54.6 | 0 | 0 | 0 | 115.1 | ||||
| 537 | S | 26.5 | Very low | 28.1 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | 169.1 | 168.1 | 66.4 | 39.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 538 | L | 27.9 | Very low | 28.1 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | 94.1 | 123.4 | 166.8 | -68.3 | 116.8 | 0 | 0 | 0 | 120.9 | ||||
| 539 | H | 27.7 | Very low | 27.9 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 178.1 | 179.1 | -93.2 | -52.8 | 0 | 0 | 0 | 114.5 | H541 | H539-H541 AromaticContact CE1-NE2 3.83Š| ||
| 540 | P | 36.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | cis | -136.6 | -175.4 | 22.1 | 38.5 | -17.1 | 0 | 0 | 0 | 118 | ||||
| 541 | H | 29.9 | Very low | 28.4 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -80.5 | 153.9 | 178.1 | -66.7 | -101 | 0 | 0 | 0 | 114.1 | H539 | H539-H541 AromaticContact CE1-NE2 3.83Š| ||
| 542 | D | 26.4 | Very low | 28.5 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -164.9 | 125.1 | 131.1 | -95.1 | -28.7 | 0 | 0 | 0 | 107.4 | ||||
| 543 | V | 26.7 | Very low | 28.6 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | 61 | 106.1 | 73.9 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 544 | V | 28.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -120.9 | 111.9 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 545 | L | 27.6 | Very low | 28.8 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -74.1 | 149.4 | 177.8 | -85.3 | 150.4 | 0 | 0 | 0 | 112.4 | ||||
| 546 | R | 27.5 | Very low | 28.9 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -68.8 | 147.2 | 162 | -70.4 | 177.4 | 171 | 178.6 | -2.8 | 110.4 | ||||
| 547 | T | 27.1 | Very low | 29.2 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -133.8 | 146.5 | 144.2 | 38.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 548 | A | 27.7 | Very low | 29.4 | Very low | 95 Ų | 95 | 152.1 Ų | 152.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -109.2 | 163.6 | -166 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 549 | C | 25.5 | Very low | 30 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 86% | 0.858 | 82% | 0.819 | S | S | * | * | trans | -131.9 | 148.5 | 160.5 | -74.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 550 | P | 31.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86 | 161.7 | -172.8 | 35.8 | -36.6 | 0 | 0 | 0 | 113 | ||
| 551 | P | 36 | Very low | 29.8 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 131.4 | 168 | 33.7 | -30.1 | 0 | 0 | 0 | 111.8 | ||
| 552 | D | 27.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 134.8 | 173.2 | -80.4 | -50.6 | 0 | 0 | 0 | 112.2 | ||
| 553 | Y | 30.1 | Very low | 30.9 | Very low | 228 Ų | 228 | 149.5 Ų | 149.5 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 122.3 | 164 | -94.3 | -106.4 | 0 | 0 | 0 | 110.1 | ||
| 554 | T | 28.9 | Very low | 31.4 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -176.5 | 134.6 | 137.4 | 23.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 555 | L | 30.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 58.1 | 89.7 | 150.3 | -68.5 | 164.7 | 0 | 0 | 0 | 119.7 | ||||
| 556 | A | 29.3 | Very low | 31.8 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -137.7 | 63.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R558 | A556-R558 PolarHBondContact O-N 2.66Š| ||
| 557 | M | 33.4 | Very low | 32 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 83.3 | 159.1 | -87.5 | -169.5 | -79.8 | 0 | 0 | 109.5 | ||||
| 558 | R | 31 | Very low | 32.3 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -132.3 | 137 | 162.8 | -76.8 | -169.8 | 173.9 | 176.1 | -0.3 | 109.7 | A556 | A556-R558 PolarHBondContact O-N 2.66Š| ||
| 559 | R | 39.4 | Very low | 32.5 | Very low | 242 Ų | 242 | 146.1 Ų | 146.1 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.9 | -170.8 | -59.5 | 169.3 | 179.8 | 171.9 | -3.3 | 111 | ||
| 560 | S | 26.9 | Very low | 32.6 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 120.7 | 147.1 | -172.4 | 0 | 0 | 0 | 0 | 107.4 | ||
| 561 | P | 33.5 | Very low | 32.5 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 62% | 0.617 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 160.9 | 164.8 | 32.8 | -30.9 | 0 | 0 | 0 | 110.5 | ||
| 562 | D | 39.2 | Very low | 32.2 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | 85.8 | 51.4 | 169.7 | -52.8 | -11.4 | 0 | 0 | 0 | 119.1 | ||||
| 563 | D | 40.4 | Very low | 32.2 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -122.5 | 21.6 | 159.1 | -83.7 | -41.5 | 0 | 0 | 0 | 113.7 | ||
| 564 | I | 37.3 | Very low | 32 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 68% | 0.677 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -140 | 129.8 | 170.3 | -53.4 | 178.5 | 0 | 0 | 0 | 109.7 | L566 | I564-L566 PolarHBondContact O-N 3.3Š|
| 565 | P | 34.9 | Very low | 32 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 109.2 | 171.4 | 28.6 | -32.6 | 0 | 0 | 0 | 110.6 | M567 | P565-M567 PolarHBondContact O-N 3.18Š| ||
| 566 | L | 29.1 | Very low | 32.1 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 115.1 | 173.2 | -74.6 | 167.5 | 0 | 0 | 0 | 110.8 | I564 | I564-L566 PolarHBondContact O-N 3.3Š| ||
| 567 | M | 31.8 | Very low | 32.2 | Very low | 179 Ų | 179 | 146 Ų | 146 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -60.7 | 136.3 | 166.2 | -80.2 | -74.1 | 166.5 | 0 | 0 | 110.6 | P565 | P565-M567 PolarHBondContact O-N 3.18Š| ||
| 568 | T | 33.4 | Very low | 32 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 137.5 | 179.9 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | N570 | T568-N570 PolarHBondContact O-N 3.48Š| ||
| 569 | P | 32.1 | Very low | 31.9 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -70.7 | 113.9 | 173.4 | -10.6 | 25.5 | 0 | 0 | 0 | 110.5 | T571 | P569-T571 PolarHBondContact O-N 3.44Š| ||
| 570 | N | 28.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -63.8 | 121.3 | 168.4 | -83.3 | -23.9 | 0 | 0 | 0 | 109.4 | T568 I572 | T568-N570 PolarHBondContact O-N 3.48Å; N570-I572 PolarHBondContact O-N 3.4Å | ||
| 571 | T | 29 | Very low | 31.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 112.8 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | P569 T573 | P569-T571 PolarHBondContact O-N 3.44Å; T571-T573 PolarHBondContact O-N 3.25Å | ||
| 572 | I | 29.3 | Very low | 31.1 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -71 | 111.2 | 172.9 | -62.7 | 172.7 | 0 | 0 | 0 | 108.6 | N570 M574 | N570-I572 PolarHBondContact O-N 3.4Å; I572-M574 HydrophobicContact CG2-CG 4.29Å | ||
| 573 | T | 28.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -112.9 | 108.9 | 162.3 | 28.1 | 0 | 0 | 0 | 0 | 109.7 | T571 | T571-T573 PolarHBondContact O-N 3.25Š| ||
| 574 | M | 25.6 | Very low | 30 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 137.7 | 171 | -69.6 | -88.7 | -75.8 | 0 | 0 | 110.3 | I572 | I572-M574 HydrophobicContact CG2-CG 4.29Š| ||
| 575 | I | 28.8 | Very low | 29.7 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -170.5 | 147.3 | 142.1 | -99.9 | 151.1 | 0 | 0 | 0 | 108.9 | ||||
| 576 | P | 33.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -111.5 | 156.2 | -158.9 | 39.4 | -30.9 | 0 | 0 | 0 | 115.4 | ||||
| 577 | S | 30 | Very low | 29.4 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -155.4 | 96.7 | 165.9 | 47.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 578 | T | 29.9 | Very low | 29.1 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 29.4 | 123.1 | 135.1 | 55.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 579 | M | 28.5 | Very low | 28.9 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 74.3 | 129.9 | 132.2 | -66.9 | -152.9 | -68.5 | 0 | 0 | 123.5 | ||||
| 580 | G | 27.6 | Very low | 28.7 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | 89.9 | 131.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 581 | G | 26.2 | Very low | 28.6 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 165.8 | 173 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 582 | L | 29 | Very low | 29.7 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | 81.6 | 131.1 | 171.5 | -65.3 | 163.5 | 0 | 0 | 0 | 119.5 | ||||
| 583 | T | 28.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -112 | 150.2 | -174.5 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 584 | S | 29.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 157.8 | 144.9 | 147.7 | -81.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 585 | L | 29.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -155 | 149.6 | 0.8 | -111.3 | 156.7 | 0 | 0 | 0 | 110.2 | ||||
| 586 | H | 30.3 | Very low | 29.9 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -23.2 | 162 | 155.9 | -67.7 | -51.8 | 0 | 0 | 0 | 119.4 | ||||
| 587 | S | 27.4 | Very low | 29.7 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | cis | -177.5 | 173.3 | -8.3 | -95 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 588 | F | 27.3 | Very low | 29.7 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | 93.9 | 107 | 149.1 | -78.8 | -68 | 0 | 0 | 0 | 122.7 | ||||
| 589 | N | 27.3 | Very low | 29.7 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -16.2 | 145.8 | 144.6 | -56.4 | -20.2 | 0 | 0 | 0 | 118.9 | ||||
| 590 | T | 28 | Very low | 29.9 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | -169.9 | 146.9 | 99.1 | 26.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 591 | Y | 27.8 | Very low | 30.7 | Very low | 220 Ų | 220 | 134.4 Ų | 134.4 | 86% | 0.863 | 78% | 0.775 | S | S | * | * | trans | -97.6 | -177.7 | 166.3 | -98.5 | -76.6 | 0 | 0 | 0 | 109.3 | ||||
| 592 | P | 50.8 | Low | 31.1 | Very low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | cis | -135.9 | -161.2 | -20 | 34.4 | -12.8 | 0 | 0 | 0 | 113.6 | ||||
| 593 | S | 28 | Very low | 31.7 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 81.7 | 150.1 | 156.2 | 84 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 594 | S | 29.3 | Very low | 32 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | cis | 167.9 | 139.6 | -21.1 | 54.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 595 | G | 28.5 | Very low | 32.7 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 143 | 91.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 596 | Q | 31.7 | Very low | 32.8 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 50.2 | 125.7 | 133.7 | -72 | -174.2 | -20.6 | 0 | 0 | 123.8 | ||||
| 597 | N | 29.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | 78.9 | 116 | 126.4 | -67.2 | -1.3 | 0 | 0 | 0 | 123 | |||||
| 598 | N | 29.2 | Very low | 33.2 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | 93.1 | 148.7 | 124.1 | -76.7 | -8.4 | 0 | 0 | 0 | 122.5 | |||||
| 599 | T | 30.6 | Very low | 33.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | 77.4 | 98.9 | 158 | 40.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 600 | L | 32.1 | Very low | 34 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -34.8 | 155 | 131.5 | -81 | 161.7 | 0 | 0 | 0 | 112.7 | ||||
| 601 | P | 44.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -144.1 | 170.5 | 44.8 | 39.3 | -19.2 | 0 | 0 | 0 | 119.1 | ||||
| 602 | H | 34.1 | Very low | 35.1 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -51.3 | 152.4 | 162.1 | -86.5 | -68.2 | 0 | 0 | 0 | 113.2 | ||||
| 603 | P | 43 | Very low | 34.7 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -139.5 | 156.8 | 81.4 | 34.4 | -17.2 | 0 | 0 | 0 | 116.6 | |||||
| 604 | H | 34.3 | Very low | 35 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -65.3 | 164 | 162.5 | -74.2 | -80.2 | 0 | 0 | 0 | 111.3 | ||||
| 605 | P | 44.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -137.7 | 163.1 | 100.7 | 36 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 606 | H | 32.4 | Very low | 35.7 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -47.5 | 151.9 | 177.5 | -54.1 | -95 | 0 | 0 | 0 | 116.8 | ||||
| 607 | S | 31.6 | Very low | 35.9 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -138.3 | 130.8 | 140.3 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 608 | H | 34.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -93.3 | 149.9 | 170.2 | -79.9 | -96.5 | 0 | 0 | 0 | 110 | ||||
| 609 | S | 31.6 | Very low | 36.8 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | 152.4 | 106.3 | 137 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 610 | T | 39.7 | Very low | 37.2 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | 36.2 | 120.7 | 93.3 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 611 | T | 37.8 | Very low | 37.6 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | -170 | 143.7 | 82.8 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 612 | R | 39.6 | Very low | 37.1 | Very low | 228 Ų | 228 | 149.9 Ų | 149.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -11 | 143.3 | 160.3 | -64.1 | 169.6 | 166.7 | 168.5 | -6.1 | 119.7 | ||||
| 613 | V | 42.3 | Very low | 37.3 | Very low | 212 Ų | 212 | 150.2 Ų | 150.2 | 100% | 1.285 | 83% | 0.827 | S | S | * | * | -126.4 | 0 | 88.3 | 175.4 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 613 of 613 residues in 193.4 ms
(Link to these results)