| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 86.6 | Confident | 89.4 | Confident | 126 Ų | 126 | 52.2 Ų | 52.2 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | 0 | 146.4 | 0 | -71.4 | -64.1 | -91.2 | 0 | 0 | 111.3 | F8 A9 K13 | M1-F8 WeakPolarHBondContact O-CA 3.49Å; M1-A9 PolarHBondContact N-O 3.26Å; M1-A9 PolarHBondContact O-N 3.02Å; M1-K13 HydrophobicContact CB-CB 4.38Å | |||
| 2 | Q | 92.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 126.7 | 175.9 | -167.9 | 171.6 | 46.3 | 0 | 0 | 110.1 | G6 G7 F8 K13 A43 | Q2-G6 PolarHBondContact NE2-O 3.47Å; Q2-G7 CarbonylContact C-O 3.44Å; Q2-G7 WeakPolarHBondContact CA-O 3.36Å; Q2-F8 HydrophobicContact CB-CD1 4.21Å; Q2-F8 HydrophobicContact CB-CE1 3.68Å; Q2-F8 HydrophobicContact CB-CE2 4.25Å; Q2-F8 HydrophobicContact CB-CZ 3.71Å; Q2-F8 HydrophobicContact CG-CE1 4.3Å; Q2-F8 HydrophobicContact CG-CE2 3.95Å; Q2-F8 HydrophobicContact CG-CZ 3.85Å; Q2-K13 WeakPolarHBondContact O-CB 3.43Å; Q2-A43 PolarHBondContact NE2-O 3.41Å; Q2-A43 VanDerWaalsContact OE1-CB 3.3Å |
| 3 | R | 93.2 | Very high | 88.4 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | trans | -78.8 | 161.8 | 173 | -63.7 | 174.4 | 58 | 78.3 | -5.2 | 110.1 | N5 G6 G7 A9 K13 N14 G15 | R3-N5 VanDerWaalsContact CB-OD1 3.29Å; R3-N5 WeakPolarHBondContact CB-OD1 3.45Å; R3-N5 PolarHBondContact O-N 3.04Å; R3-N5 VanDerWaalsContact O-N 3.15Å; R3-G6 PolarHBondContact O-N 3.13Å; R3-G7 WeakPolarHBondContact CB-O 3.32Å; R3-G7 PolarHBondContact N-O 3.29Å; R3-A9 HydrophobicContact CG-CB 4.21Å; R3-K13 WeakPolarHBondContact CG-O 3.48Å; R3-N14 VanDerWaalsContact NH1-C 3.3Å; R3-N14 PolarHBondContact NH1-O 3.47Å; R3-G15 PolarHBondContact NH1-O 2.89Å | ||
| 4 | D | 90 | Very high | 88.1 | Confident | 128 Ų | 128 | 60.9 Ų | 60.9 | 68% | 0.684 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25 | 179.5 | -65.7 | -25 | 0 | 0 | 0 | 113 | G6 | D4-G6 VanDerWaalsContact C-N 3.26Å; D4-G6 PolarHBondContact O-N 3.16Å |
| 5 | N | 90 | Very high | 87.6 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.1 | 177 | 72.3 | -1.8 | 0 | 0 | 0 | 114.1 | R3 G7 E17 R50 R53 | R3-N5 VanDerWaalsContact CB-OD1 3.29Å; R3-N5 WeakPolarHBondContact CB-OD1 3.45Å; R3-N5 PolarHBondContact O-N 3.04Å; R3-N5 VanDerWaalsContact O-N 3.15Å; N5-G7 PolarHBondContact OD1-N 3.47Å; N5-E17 PolarHBondContact ND2-OE2 3.35Å; N5-R50 PolarHBondContact ND2-NH2 2.91Å; N5-R53 PolarHBondContact O-NH2 3.46Å |
| 6 | G | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 92.6 | -17.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q2 R3 D4 | Q2-G6 PolarHBondContact NE2-O 3.47Å; R3-G6 PolarHBondContact O-N 3.13Å; D4-G6 VanDerWaalsContact C-N 3.26Å; D4-G6 PolarHBondContact O-N 3.16Å |
| 7 | G | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -73.3 | 170.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q2 R3 N5 | Q2-G7 CarbonylContact C-O 3.44Å; Q2-G7 WeakPolarHBondContact CA-O 3.36Å; R3-G7 WeakPolarHBondContact CB-O 3.32Å; R3-G7 PolarHBondContact N-O 3.29Å; N5-G7 PolarHBondContact OD1-N 3.47Å | ||
| 8 | F | 93 | Very high | 87.6 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -116.8 | 138.4 | -179.4 | -76.1 | -100.5 | 0 | 0 | 0 | 111.6 | M1 Q2 E18 L21 T22 V25 L26 | M1-F8 WeakPolarHBondContact O-CA 3.49Å; Q2-F8 HydrophobicContact CB-CD1 4.21Å; Q2-F8 HydrophobicContact CB-CE1 3.68Å; Q2-F8 HydrophobicContact CB-CE2 4.25Å; Q2-F8 HydrophobicContact CB-CZ 3.71Å; Q2-F8 HydrophobicContact CG-CE1 4.3Å; Q2-F8 HydrophobicContact CG-CE2 3.95Å; Q2-F8 HydrophobicContact CG-CZ 3.85Å; F8-E18 PolarHBondContact O-N 3.16Å; F8-L21 HydrophobicContact CB-CD2 4.14Å; F8-L21 HydrophobicContact CB-CG 4.12Å; F8-T22 HydrophobicContact CD2-CG2 4.2Å; F8-T22 PolarHBondContact N-OG1 3.38Å; F8-V25 HydrophobicContact CD1-CB 4.21Å; F8-V25 HydrophobicContact CD1-CG1 3.93Å; F8-V25 HydrophobicContact CD1-CG2 4.07Å; F8-V25 HydrophobicContact CD2-CB 4.36Å; F8-V25 HydrophobicContact CD2-CG1 4.43Å; F8-V25 HydrophobicContact CE1-CB 4.27Å; F8-V25 HydrophobicContact CE1-CG1 3.51Å; F8-V25 HydrophobicContact CE1-CG2 4.47Å; F8-V25 HydrophobicContact CE2-CB 4.42Å; F8-V25 HydrophobicContact CE2-CG1 4.07Å; F8-V25 HydrophobicContact CG-CB 4.26Å; F8-V25 HydrophobicContact CG-CG1 4.38Å; F8-V25 HydrophobicContact CG-CG2 4.26Å; F8-V25 HydrophobicContact CZ-CB 4.37Å; F8-V25 HydrophobicContact CZ-CG1 3.58Å; F8-L26 HydrophobicContact CD2-CD2 4.12Å; F8-L26 HydrophobicContact CE2-CD2 3.46Å; F8-L26 VanDerWaalsContact CE2-CD2 3.46Å; F8-L26 HydrophobicContact CZ-CD2 4.22Å |
| 9 | A | 89.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | trans | -111.9 | 160.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 R3 D12 G15 D16 | M1-A9 PolarHBondContact N-O 3.26Å; M1-A9 PolarHBondContact O-N 3.02Å; R3-A9 HydrophobicContact CG-CB 4.21Å; A9-D12 VanDerWaalsContact CB-O 3.28Å; A9-D12 WeakPolarHBondContact CB-O 3.46Å; A9-G15 WeakPolarHBondContact CB-O 3.45Å; A9-D16 WeakPolarHBondContact CA-O 3.19Å; A9-D16 WeakPolarHBondContact CB-O 3.44Å | ||
| 10 | L | 83 | Confident | 87.9 | Confident | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -68.3 | -53.7 | -179.7 | -84.2 | 157.7 | 0 | 0 | 0 | 112.5 | E18 L21 | L10-E18 HydrophobicContact CD1-CG 3.92Å; L10-E18 HydrophobicContact CG-CG 3.98Å; L10-L21 HydrophobicContact CD2-CD2 4.25Å; L10-L21 HydrophobicContact CG-CD2 4.17Å |
| 11 | W | 80.5 | Confident | 88.1 | Confident | 95 Ų | 95 | 53.3 Ų | 53.3 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -97.5 | -50.7 | -162.1 | -51.1 | 113.8 | 0 | 0 | 0 | 114.4 | L313 H357 A368 | W11-L313 HydrophobicContact CH2-CD1 3.89Å; W11-L313 HydrophobicContact CZ3-CD1 4.49Å; W11-H357 HydrophobicContact CB-CB 3.94Å; W11-H357 HydrophobicContact CD2-CB 3.73Å; W11-H357 AromaticContact CD2-CG 3.99Å; W11-H357 HydrophobicContact CE3-CB 4.08Å; W11-H357 AromaticContact CE3-CD2 3.63Å; W11-H357 AromaticContact CE3-CG 3.95Å; W11-H357 HydrophobicContact CG-CB 3.63Å; W11-H357 AromaticContact CG-CG 3.91Å; W11-A368 HydrophobicContact CD2-CB 4.4Å; W11-A368 HydrophobicContact CH2-CB 3.92Å; W11-A368 HydrophobicContact CZ2-CB 3.41Å; W11-A368 VanDerWaalsContact CZ2-CB 3.41Å |
| 12 | D | 80.8 | Confident | 88.5 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | trans | -144.6 | 174.3 | -179.5 | 69.7 | 66.1 | 0 | 0 | 0 | 111.4 | A9 N14 G15 | A9-D12 VanDerWaalsContact CB-O 3.28Å; A9-D12 WeakPolarHBondContact CB-O 3.46Å; D12-N14 VanDerWaalsContact C-N 3.26Å; D12-N14 PolarHBondContact O-N 3.42Å; D12-N14 VanDerWaalsContact OD1-CA 3.27Å; D12-N14 WeakPolarHBondContact OD1-CA 3.26Å; D12-N14 WeakPolarHBondContact OD1-CB 3.31Å; D12-N14 PolarHBondContact OD1-N 3.46Å; D12-G15 PolarHBondContact OD1-N 2.9Å | ||
| 13 | K | 84.6 | Confident | 88.6 | Confident | 103 Ų | 103 | 45.6 Ų | 45.6 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -75 | -11.7 | -175.5 | 66.6 | 164 | -168.4 | 162 | 0 | 114.6 | M1 Q2 R3 | M1-K13 HydrophobicContact CB-CB 4.38Å; Q2-K13 WeakPolarHBondContact O-CB 3.43Å; R3-K13 WeakPolarHBondContact CG-O 3.48Å |
| 14 | N | 84.4 | Confident | 88.6 | Confident | 116 Ų | 116 | 46 Ų | 46 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -100.6 | -23.9 | -179.8 | -59.3 | -27.8 | 0 | 0 | 0 | 111.9 | R3 D12 | R3-N14 VanDerWaalsContact NH1-C 3.3Å; R3-N14 PolarHBondContact NH1-O 3.47Å; D12-N14 VanDerWaalsContact C-N 3.26Å; D12-N14 PolarHBondContact O-N 3.42Å; D12-N14 VanDerWaalsContact OD1-CA 3.27Å; D12-N14 WeakPolarHBondContact OD1-CA 3.26Å; D12-N14 WeakPolarHBondContact OD1-CB 3.31Å; D12-N14 PolarHBondContact OD1-N 3.46Å |
| 15 | G | 80.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -65 | 160.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R3 A9 D12 | R3-G15 PolarHBondContact NH1-O 2.89Å; A9-G15 WeakPolarHBondContact CB-O 3.45Å; D12-G15 PolarHBondContact OD1-N 2.9Å |
| 16 | D | 84.5 | Confident | 89 | Confident | 138 Ų | 138 | 39 Ų | 39 | 74% | 0.738 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -54.9 | 143.7 | -171.7 | -65.4 | -40.6 | 0 | 0 | 0 | 113.7 | A9 | A9-D16 WeakPolarHBondContact CA-O 3.19Å; A9-D16 WeakPolarHBondContact CB-O 3.44Å |
| 17 | E | 89.4 | Confident | 89.1 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 129.6 | -178.8 | -173.4 | 173.3 | 154.8 | 0 | 0 | 111.4 | N5 R50 Y54 | N5-E17 PolarHBondContact ND2-OE2 3.35Å; E17-R50 VanDerWaalsContact CD-NH2 3.28Å; E17-R50 IonicContact OE1-CZ 2.78Å; E17-R50 IonicContact OE1-NE 3.19Å; E17-R50 PolarHBondContact OE1-NE 3.44Å; E17-R50 IonicContact OE1-NH2 3.4Å; E17-R50 PolarHBondContact OE1-NH2 2.88Å; E17-R50 IonicContact OE2-CZ 2.82Å; E17-R50 VanDerWaalsContact OE2-CZ 3.22Å; E17-R50 IonicContact OE2-NE 2.72Å; E17-R50 PolarHBondContact OE2-NE 2.94Å; E17-R50 IonicContact OE2-NH2 3.48Å; E17-R50 PolarHBondContact OE2-NH2 3.36Å; E17-Y54 PolarHBondContact OE1-OH 2.74Å |
| 18 | E | 88.6 | Confident | 89.1 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | trans | -98.8 | 99.8 | 175 | -69.5 | -70.7 | 156.9 | 0 | 0 | 107.8 | F8 L10 W20 L21 T22 Y65 | F8-E18 PolarHBondContact O-N 3.16Å; L10-E18 HydrophobicContact CD1-CG 3.92Å; L10-E18 HydrophobicContact CG-CG 3.98Å; E18-W20 PolarHBondContact O-N 3.49Å; E18-W20 PolarHBondContact OE2-NE1 3.05Å; E18-L21 HydrophobicContact CB-CB 3.51Å; E18-L21 HydrophobicContact CB-CD2 3.95Å; E18-L21 HydrophobicContact CB-CG 4.38Å; E18-L21 HydrophobicContact CG-CD2 4.48Å; E18-L21 WeakPolarHBondContact O-CB 3.5Å; E18-L21 PolarHBondContact O-N 3.19Å; E18-L21 VanDerWaalsContact O-N 3.1Å; E18-T22 PolarHBondContact O-N 2.89Å; E18-T22 VanDerWaalsContact O-N 3.08Å; E18-T22 PolarHBondContact O-OG1 2.92Å; E18-Y65 PolarHBondContact OE2-OH 2.95Å | ||
| 19 | Y | 92.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | -169.4 | -68.3 | -89 | 0 | 0 | 0 | 112.9 | L21 T22 Y54 M60 M61 S62 I63 | Y19-L21 VanDerWaalsContact C-N 3.33Å; Y19-T22 PolarHBondContact O-N 3.49Å; Y19-Y54 HydrophobicContact CD1-CD1 4.21Å; Y19-Y54 AromaticContact CD1-CE1 3.48Å; Y19-Y54 HydrophobicContact CD1-CE1 3.48Å; Y19-Y54 VanDerWaalsContact CD1-CE1 3.48Å; Y19-Y54 HydrophobicContact CD1-CE2 4.31Å; Y19-Y54 AromaticContact CD1-CZ 3.54Å; Y19-Y54 AromaticContact CE1-CE1 3.84Å; Y19-Y54 HydrophobicContact CE1-CE1 3.84Å; Y19-M60 PolarHBondContact OH-O 3.05Å; Y19-M60 VanDerWaalsContact OH-O 3.14Å; Y19-M61 HydrophobicContact CD1-CB 3.98Å; Y19-M61 HydrophobicContact CD1-CG 3.49Å; Y19-M61 VanDerWaalsContact CD1-CG 3.49Å; Y19-M61 HydrophobicContact CD1-SD 4.05Å; Y19-M61 HydrophobicContact CE1-CB 3.95Å; Y19-M61 HydrophobicContact CE1-CG 3.64Å; Y19-M61 HydrophobicContact CG-CB 4.27Å; Y19-M61 HydrophobicContact CG-CG 4.15Å; Y19-M61 HydrophobicContact CG-SD 4.43Å; Y19-S62 WeakPolarHBondContact CE2-O 3.37Å; Y19-I63 HydrophobicContact CD2-CG1 4.12Å |
| 20 | W | 90 | Very high | 89.3 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 9% | 0.087 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 174.4 | 72.1 | -91 | 0 | 0 | 0 | 111.6 | E18 T22 A23 Y24 V76 Y149 | E18-W20 PolarHBondContact O-N 3.49Å; E18-W20 PolarHBondContact OE2-NE1 3.05Å; W20-T22 VanDerWaalsContact C-N 3.29Å; W20-T22 PolarHBondContact O-N 2.96Å; W20-A23 PolarHBondContact O-N 3.35Å; W20-Y24 HydrophobicContact CZ3-CG 4.25Å; W20-Y24 PolarHBondContact O-N 2.83Å; W20-V76 HydrophobicContact CB-CG2 4.26Å; W20-Y149 AromaticContact CE2-CD2 3.76Å; W20-Y149 HydrophobicContact CH2-CD2 4.35Å; W20-Y149 AromaticContact CZ2-CD2 3.47Å; W20-Y149 HydrophobicContact CZ2-CD2 3.47Å; W20-Y149 VanDerWaalsContact CZ2-CD2 3.47Å; W20-Y149 AromaticContact CZ2-CE2 3.88Å; W20-Y149 HydrophobicContact CZ2-CE2 3.88Å; W20-Y149 HydrophobicContact CZ2-CG 4.35Å; W20-Y149 AromaticContact NE1-CD2 3.88Å |
| 21 | L | 91.1 | Very high | 89.6 | Confident | 20 Ų | 20 | 46 Ų | 46 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -35.1 | -179.3 | -179.8 | 65.4 | 0 | 0 | 0 | 111 | F8 L10 E18 Y19 Y24 V25 | F8-L21 HydrophobicContact CB-CD2 4.14Å; F8-L21 HydrophobicContact CB-CG 4.12Å; L10-L21 HydrophobicContact CD2-CD2 4.25Å; L10-L21 HydrophobicContact CG-CD2 4.17Å; E18-L21 HydrophobicContact CB-CB 3.51Å; E18-L21 HydrophobicContact CB-CD2 3.95Å; E18-L21 HydrophobicContact CB-CG 4.38Å; E18-L21 HydrophobicContact CG-CD2 4.48Å; E18-L21 WeakPolarHBondContact O-CB 3.5Å; E18-L21 PolarHBondContact O-N 3.19Å; E18-L21 VanDerWaalsContact O-N 3.1Å; Y19-L21 VanDerWaalsContact C-N 3.33Å; L21-Y24 HydrophobicContact CD1-CD1 4.26Å; L21-Y24 PolarHBondContact O-N 3.41Å; L21-V25 HydrophobicContact CD1-CG2 3.85Å; L21-V25 HydrophobicContact CG-CG2 4.07Å; L21-V25 WeakPolarHBondContact O-CB 3.33Å; L21-V25 VanDerWaalsContact O-CG2 3.3Å; L21-V25 WeakPolarHBondContact O-CG2 3.33Å; L21-V25 PolarHBondContact O-N 3.11Å |
| 22 | T | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | F8 E18 Y19 W20 L26 R50 L51 Y54 | F8-T22 HydrophobicContact CD2-CG2 4.2Å; F8-T22 PolarHBondContact N-OG1 3.38Å; E18-T22 PolarHBondContact O-N 2.89Å; E18-T22 VanDerWaalsContact O-N 3.08Å; E18-T22 PolarHBondContact O-OG1 2.92Å; Y19-T22 PolarHBondContact O-N 3.49Å; W20-T22 VanDerWaalsContact C-N 3.29Å; W20-T22 PolarHBondContact O-N 2.96Å; T22-L26 WeakPolarHBondContact O-CB 3.39Å; T22-L26 WeakPolarHBondContact O-CD2 3.38Å; T22-L26 PolarHBondContact O-N 3.06Å; T22-R50 HydrophobicContact CG2-CG 4.32Å; T22-L51 HydrophobicContact CG2-CD2 4.07Å; T22-L51 HydrophobicContact CG2-CG 4.48Å; T22-Y54 VanDerWaalsContact CB-OH 3.3Å; T22-Y54 WeakPolarHBondContact CB-OH 3.35Å; T22-Y54 HydrophobicContact CG2-CE2 4.12Å; T22-Y54 PolarHBondContact OG1-OH 2.91Å; T22-Y54 VanDerWaalsContact OG1-OH 3.13Å |
| 23 | A | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W20 L26 D27 L51 Y79 | W20-A23 PolarHBondContact O-N 3.35Å; A23-L26 PolarHBondContact O-N 3.37Å; A23-D27 PolarHBondContact O-N 2.92Å; A23-L51 HydrophobicContact CB-CD2 3.94Å; A23-Y79 HydrophobicContact CB-CD1 3.72Å; A23-Y79 HydrophobicContact CB-CD2 4.29Å; A23-Y79 HydrophobicContact CB-CE1 4.28Å; A23-Y79 HydrophobicContact CB-CG 3.73Å |
| 24 | Y | 92.8 | Very high | 90 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 178.8 | 178.9 | -90.9 | 0 | 0 | 0 | 113.4 | W20 L21 L26 D27 F28 N196 | W20-Y24 HydrophobicContact CZ3-CG 4.25Å; W20-Y24 PolarHBondContact O-N 2.83Å; L21-Y24 HydrophobicContact CD1-CD1 4.26Å; L21-Y24 PolarHBondContact O-N 3.41Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-L26 PolarHBondContact O-N 3.41Å; Y24-D27 PolarHBondContact O-N 3.32Å; Y24-F28 PolarHBondContact O-N 2.87Å; Y24-N196 PolarHBondContact OH-ND2 3.16Å |
| 25 | V | 93.5 | Very high | 89.9 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F8 L21 F28 L29 | F8-V25 HydrophobicContact CD1-CB 4.21Å; F8-V25 HydrophobicContact CD1-CG1 3.93Å; F8-V25 HydrophobicContact CD1-CG2 4.07Å; F8-V25 HydrophobicContact CD2-CB 4.36Å; F8-V25 HydrophobicContact CD2-CG1 4.43Å; F8-V25 HydrophobicContact CE1-CB 4.27Å; F8-V25 HydrophobicContact CE1-CG1 3.51Å; F8-V25 HydrophobicContact CE1-CG2 4.47Å; F8-V25 HydrophobicContact CE2-CB 4.42Å; F8-V25 HydrophobicContact CE2-CG1 4.07Å; F8-V25 HydrophobicContact CG-CB 4.26Å; F8-V25 HydrophobicContact CG-CG1 4.38Å; F8-V25 HydrophobicContact CG-CG2 4.26Å; F8-V25 HydrophobicContact CZ-CB 4.37Å; F8-V25 HydrophobicContact CZ-CG1 3.58Å; L21-V25 HydrophobicContact CD1-CG2 3.85Å; L21-V25 HydrophobicContact CG-CG2 4.07Å; L21-V25 WeakPolarHBondContact O-CB 3.33Å; L21-V25 VanDerWaalsContact O-CG2 3.3Å; L21-V25 WeakPolarHBondContact O-CG2 3.33Å; L21-V25 PolarHBondContact O-N 3.11Å; V25-F28 PolarHBondContact O-N 2.93Å; V25-L29 HydrophobicContact CG1-CD1 3.87Å; V25-L29 HydrophobicContact CG1-CG 4.25Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.4Å |
| 26 | L | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 177.8 | -88.2 | -75.6 | 0 | 0 | 0 | 111.5 | F8 T22 A23 Y24 F28 L29 V30 I44 L51 V83 | F8-L26 HydrophobicContact CD2-CD2 4.12Å; F8-L26 HydrophobicContact CE2-CD2 3.46Å; F8-L26 VanDerWaalsContact CE2-CD2 3.46Å; F8-L26 HydrophobicContact CZ-CD2 4.22Å; T22-L26 WeakPolarHBondContact O-CB 3.39Å; T22-L26 WeakPolarHBondContact O-CD2 3.38Å; T22-L26 PolarHBondContact O-N 3.06Å; A23-L26 PolarHBondContact O-N 3.37Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-L26 PolarHBondContact O-N 3.41Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.46Å; L26-L29 PolarHBondContact O-N 3.46Å; L26-V30 WeakPolarHBondContact O-CB 3.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.49Å; L26-I44 HydrophobicContact CD1-CB 4.49Å; L26-I44 HydrophobicContact CD1-CG2 4.37Å; L26-L51 HydrophobicContact CB-CD1 3.88Å; L26-L51 HydrophobicContact CG-CD1 3.99Å; L26-V83 HydrophobicContact CB-CG1 3.96Å |
| 27 | D | 94.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 173.9 | -166.3 | 37.6 | 0 | 0 | 0 | 111.2 | A23 Y24 L29 V30 R31 Y79 V83 R86 | A23-D27 PolarHBondContact O-N 2.92Å; Y24-D27 PolarHBondContact O-N 3.32Å; D27-L29 PolarHBondContact O-N 2.98Å; D27-V30 PolarHBondContact O-N 3.26Å; D27-R31 WeakPolarHBondContact O-CB 3.34Å; D27-R31 VanDerWaalsContact O-CG 3.27Å; D27-R31 WeakPolarHBondContact O-CG 3.06Å; D27-R31 PolarHBondContact O-N 2.72Å; D27-R31 IonicContact OD1-NE 3.53Å; D27-R31 PolarHBondContact OD1-NE 3.36Å; D27-R31 IonicContact OD2-CZ 2.85Å; D27-R31 IonicContact OD2-NE 3.99Å; D27-R31 PolarHBondContact OD2-NE 2.97Å; D27-R31 IonicContact OD2-NH2 3.61Å; D27-Y79 HydrophobicContact CB-CE2 4.14Å; D27-V83 HydrophobicContact CB-CG2 3.69Å; D27-R86 IonicContact OD1-CZ 3.44Å; D27-R86 IonicContact OD1-NH1 2.65Å; D27-R86 PolarHBondContact OD1-NH1 2.93Å; D27-R86 IonicContact OD2-NH1 3.94Å |
| 28 | F | 92.7 | Very high | 89.2 | Confident | 130 Ų | 130 | 48.1 Ų | 48.1 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.9 | -48.5 | 177.1 | 177.7 | -92.2 | 0 | 0 | 0 | 112.3 | Y24 V25 L26 R31 A32 | Y24-F28 PolarHBondContact O-N 2.87Å; V25-F28 PolarHBondContact O-N 2.93Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.46Å; F28-R31 PolarHBondContact O-N 3.41Å; F28-A32 VanDerWaalsContact O-CB 3.28Å; F28-A32 WeakPolarHBondContact O-CB 3.24Å; F28-A32 PolarHBondContact O-N 2.96Å |
| 29 | L | 93.6 | Very high | 89 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -179.1 | -70.2 | 174.6 | 0 | 0 | 0 | 112.3 | V25 L26 D27 A32 G33 V39 I44 | V25-L29 HydrophobicContact CG1-CD1 3.87Å; V25-L29 HydrophobicContact CG1-CG 4.25Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.46Å; D27-L29 PolarHBondContact O-N 2.98Å; L29-A32 PolarHBondContact O-N 3.4Å; L29-G33 PolarHBondContact O-N 2.98Å; L29-V39 HydrophobicContact CD2-CB 4.49Å; L29-V39 HydrophobicContact CD2-CG1 4Å; L29-I44 HydrophobicContact CB-CD1 4.26Å; L29-I44 HydrophobicContact CB-CG1 4.28Å; L29-I44 HydrophobicContact CD1-CG1 4.48Å |
| 30 | V | 92.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -50.9 | 176 | 169.7 | 0 | 0 | 0 | 0 | 110.1 | L26 D27 A32 G33 E34 Q87 | L26-V30 WeakPolarHBondContact O-CB 3.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.49Å; D27-V30 PolarHBondContact O-N 3.26Å; V30-A32 VanDerWaalsContact C-N 3.29Å; V30-A32 PolarHBondContact O-N 2.9Å; V30-G33 WeakPolarHBondContact O-CA 3.45Å; V30-G33 PolarHBondContact O-N 2.67Å; V30-G33 VanDerWaalsContact O-N 3.09Å; V30-E34 WeakPolarHBondContact O-CG 3.3Å; V30-E34 PolarHBondContact O-N 2.88Å; V30-Q87 HydrophobicContact CG1-CG 3.98Å; V30-Q87 HydrophobicContact CG2-CG 4.12Å |
| 31 | R | 90.4 | Very high | 88.6 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 176.4 | -70.6 | 173.5 | 179.7 | -84.4 | 10 | 112 | D27 F28 E34 Q35 R86 E165 | D27-R31 WeakPolarHBondContact O-CB 3.34Å; D27-R31 VanDerWaalsContact O-CG 3.27Å; D27-R31 WeakPolarHBondContact O-CG 3.06Å; D27-R31 PolarHBondContact O-N 2.72Å; D27-R31 IonicContact OD1-NE 3.53Å; D27-R31 PolarHBondContact OD1-NE 3.36Å; D27-R31 IonicContact OD2-CZ 2.85Å; D27-R31 IonicContact OD2-NE 3.99Å; D27-R31 PolarHBondContact OD2-NE 2.97Å; D27-R31 IonicContact OD2-NH2 3.61Å; F28-R31 PolarHBondContact O-N 3.41Å; R31-E34 PolarHBondContact O-N 2.99Å; R31-Q35 VanDerWaalsContact O-CG 3.29Å; R31-Q35 WeakPolarHBondContact O-CG 3.38Å; R31-Q35 PolarHBondContact O-N 2.92Å; R31-Q35 VanDerWaalsContact O-N 3.08Å; R31-R86 VanDerWaalsContact CZ-NH2 3.31Å; R31-E165 IonicContact CZ-OE1 3.8Å; R31-E165 IonicContact CZ-OE2 2.87Å; R31-E165 IonicContact NH1-OE1 3.51Å; R31-E165 PolarHBondContact NH1-OE1 3.27Å; R31-E165 IonicContact NH1-OE2 3.38Å; R31-E165 PolarHBondContact NH1-OE2 3.26Å; R31-E165 IonicContact NH2-OE1 3.78Å; R31-E165 IonicContact NH2-OE2 3.04Å; R31-E165 PolarHBondContact NH2-OE2 3.11Å |
| 32 | A | 88.2 | Confident | 88.4 | Confident | 15 Ų | 15 | 60 Ų | 60 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F28 L29 V30 E34 Q35 G36 Y37 V39 | F28-A32 VanDerWaalsContact O-CB 3.28Å; F28-A32 WeakPolarHBondContact O-CB 3.24Å; F28-A32 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 3.4Å; V30-A32 VanDerWaalsContact C-N 3.29Å; V30-A32 PolarHBondContact O-N 2.9Å; A32-E34 PolarHBondContact O-N 3.21Å; A32-Q35 CarbonylContact O-C 3.56Å; A32-Q35 PolarHBondContact O-N 3.29Å; A32-G36 PolarHBondContact O-N 2.76Å; A32-Y37 HydrophobicContact CB-CD2 4.41Å; A32-Y37 WeakPolarHBondContact O-CB 3.33Å; A32-Y37 WeakPolarHBondContact O-CD2 3.38Å; A32-Y37 PolarHBondContact O-N 2.88Å; A32-V39 HydrophobicContact CB-CG1 4.09Å |
| 33 | G | 82.6 | Confident | 88.1 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | L29 V30 Q35 G36 | L29-G33 PolarHBondContact O-N 2.98Å; V30-G33 WeakPolarHBondContact O-CA 3.45Å; V30-G33 PolarHBondContact O-N 2.67Å; V30-G33 VanDerWaalsContact O-N 3.09Å; G33-Q35 PolarHBondContact O-N 3.1Å; G33-G36 PolarHBondContact O-N 3.14Å |
| 34 | E | 83.5 | Confident | 88 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -29.7 | 176.2 | -69.8 | 168.8 | 170.9 | 0 | 0 | 112.9 | V30 R31 A32 G36 R86 | V30-E34 WeakPolarHBondContact O-CG 3.3Å; V30-E34 PolarHBondContact O-N 2.88Å; R31-E34 PolarHBondContact O-N 2.99Å; A32-E34 PolarHBondContact O-N 3.21Å; E34-G36 VanDerWaalsContact C-N 3.28Å; E34-R86 VanDerWaalsContact OE1-CD 3.29Å; E34-R86 WeakPolarHBondContact OE1-CD 3.4Å; E34-R86 WeakPolarHBondContact OE1-CG 3.24Å |
| 35 | Q | 80.8 | Confident | 88 | Confident | 120 Ų | 120 | 62 Ų | 62 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.1 | 174.7 | -62.3 | -67.5 | -41.7 | 0 | 0 | 113.1 | R31 A32 G33 Y37 | R31-Q35 VanDerWaalsContact O-CG 3.29Å; R31-Q35 WeakPolarHBondContact O-CG 3.38Å; R31-Q35 PolarHBondContact O-N 2.92Å; R31-Q35 VanDerWaalsContact O-N 3.08Å; A32-Q35 CarbonylContact O-C 3.56Å; A32-Q35 PolarHBondContact O-N 3.29Å; G33-Q35 PolarHBondContact O-N 3.1Å; Q35-Y37 HydrophobicContact CB-CD2 3.92Å; Q35-Y37 HydrophobicContact CB-CE2 4Å |
| 36 | G | 76 | Confident | 88 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 9.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A32 G33 E34 | A32-G36 PolarHBondContact O-N 2.76Å; G33-G36 PolarHBondContact O-N 3.14Å; E34-G36 VanDerWaalsContact C-N 3.28Å |
| 37 | Y | 80.1 | Confident | 88 | Confident | 147 Ų | 147 | 65.9 Ų | 65.9 | 58% | 0.576 | 36% | 0.364 | S | S | * | . | trans | -75.5 | 140.2 | 173.1 | -66.3 | -90.5 | 0 | 0 | 0 | 110.9 | A32 Q35 V39 | A32-Y37 HydrophobicContact CB-CD2 4.41Å; A32-Y37 WeakPolarHBondContact O-CB 3.33Å; A32-Y37 WeakPolarHBondContact O-CD2 3.38Å; A32-Y37 PolarHBondContact O-N 2.88Å; Q35-Y37 HydrophobicContact CB-CD2 3.92Å; Q35-Y37 HydrophobicContact CB-CE2 4Å; Y37-V39 PolarHBondContact O-N 3.32Å | ||
| 38 | S | 83.5 | Confident | 88 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 79% | 0.79 | 36% | 0.363 | S | S | * | . | trans | -72.8 | 121.2 | 173.9 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 39 | V | 85.9 | Confident | 88.1 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | trans | -123.5 | 144.9 | 179.7 | -71 | 0 | 0 | 0 | 0 | 110.2 | L29 A32 Y37 T41 I44 | L29-V39 HydrophobicContact CD2-CB 4.49Å; L29-V39 HydrophobicContact CD2-CG1 4Å; A32-V39 HydrophobicContact CB-CG1 4.09Å; Y37-V39 PolarHBondContact O-N 3.32Å; V39-T41 PolarHBondContact O-N 3.16Å; V39-T41 VanDerWaalsContact O-N 3.12Å; V39-I44 HydrophobicContact CB-CD1 3.98Å; V39-I44 HydrophobicContact CG2-CD1 3.46Å; V39-I44 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 40 | P | 87.4 | Confident | 88.2 | Confident | 85 Ų | 85 | 65 Ų | 65 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | trans | -69.3 | 110.9 | -176.6 | -13.6 | 27.7 | 0 | 0 | 0 | 111.2 | D42 A43 I44 | P40-D42 VanDerWaalsContact C-N 3.32Å; P40-D42 PolarHBondContact O-N 2.92Å; P40-A43 HydrophobicContact CB-CB 3.94Å; P40-A43 WeakPolarHBondContact O-CB 3.4Å; P40-A43 PolarHBondContact O-N 3.34Å; P40-A43 VanDerWaalsContact O-N 3.1Å; P40-I44 PolarHBondContact O-N 3.08Å; P40-I44 VanDerWaalsContact O-N 3.16Å | ||
| 41 | T | 86.1 | Confident | 88.4 | Confident | 102 Ų | 102 | 64.4 Ų | 64.4 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.4 | -41.5 | -176.5 | 5.8 | 0 | 0 | 0 | 0 | 112.8 | V39 A43 I44 N45 | V39-T41 PolarHBondContact O-N 3.16Å; V39-T41 VanDerWaalsContact O-N 3.12Å; T41-A43 VanDerWaalsContact C-N 3.3Å; T41-A43 PolarHBondContact O-N 3.39Å; T41-I44 PolarHBondContact O-N 3.36Å; T41-N45 PolarHBondContact O-N 3.17Å; T41-N45 PolarHBondContact O-ND2 3.26Å |
| 42 | D | 87 | Confident | 88.6 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -34.6 | 178.1 | -70.6 | -13.7 | 0 | 0 | 0 | 112.6 | P40 R46 | P40-D42 VanDerWaalsContact C-N 3.32Å; P40-D42 PolarHBondContact O-N 2.92Å; D42-R46 WeakPolarHBondContact O-CG 3.47Å; D42-R46 PolarHBondContact O-N 3.05Å; D42-R46 VanDerWaalsContact O-N 3.13Å; D42-R46 PolarHBondContact O-NE 3.07Å |
| 43 | A | 88.9 | Confident | 88.9 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 12% | 0.116 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q2 P40 T41 G47 | Q2-A43 PolarHBondContact NE2-O 3.41Å; Q2-A43 VanDerWaalsContact OE1-CB 3.3Å; P40-A43 HydrophobicContact CB-CB 3.94Å; P40-A43 WeakPolarHBondContact O-CB 3.4Å; P40-A43 PolarHBondContact O-N 3.34Å; P40-A43 VanDerWaalsContact O-N 3.1Å; T41-A43 VanDerWaalsContact C-N 3.3Å; T41-A43 PolarHBondContact O-N 3.39Å; A43-G47 PolarHBondContact O-N 3.26Å |
| 44 | I | 92.2 | Very high | 89.5 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.1 | -69.5 | 178.7 | 0 | 0 | 0 | 111.2 | L26 L29 V39 P40 T41 G47 N48 | L26-I44 HydrophobicContact CD1-CB 4.49Å; L26-I44 HydrophobicContact CD1-CG2 4.37Å; L29-I44 HydrophobicContact CB-CD1 4.26Å; L29-I44 HydrophobicContact CB-CG1 4.28Å; L29-I44 HydrophobicContact CD1-CG1 4.48Å; V39-I44 HydrophobicContact CB-CD1 3.98Å; V39-I44 HydrophobicContact CG2-CD1 3.46Å; V39-I44 VanDerWaalsContact CG2-CD1 3.46Å; P40-I44 PolarHBondContact O-N 3.08Å; P40-I44 VanDerWaalsContact O-N 3.16Å; T41-I44 PolarHBondContact O-N 3.36Å; I44-G47 PolarHBondContact O-N 3.06Å; I44-N48 WeakPolarHBondContact CG2-ND2 3.17Å; I44-N48 WeakPolarHBondContact O-CB 3.38Å; I44-N48 VanDerWaalsContact O-CG 3.26Å; I44-N48 PolarHBondContact O-N 3.35Å; I44-N48 PolarHBondContact O-ND2 2.9Å |
| 45 | N | 91.7 | Very high | 90 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | -179.8 | -72.9 | -20.9 | 0 | 0 | 0 | 111.8 | T41 G47 N48 E49 | T41-N45 PolarHBondContact O-N 3.17Å; T41-N45 PolarHBondContact O-ND2 3.26Å; N45-G47 VanDerWaalsContact C-N 3.31Å; N45-G47 PolarHBondContact O-N 2.9Å; N45-N48 PolarHBondContact O-N 3.49Å; N45-E49 WeakPolarHBondContact O-CG 3.45Å; N45-E49 PolarHBondContact O-N 3.3Å |
| 46 | R | 93.7 | Very high | 90.5 | Very high | 113 Ų | 113 | 63 Ų | 63 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 176.7 | -68.3 | -175.4 | -63.6 | -158.9 | 4.1 | 112.6 | D42 E49 R50 | D42-R46 WeakPolarHBondContact O-CG 3.47Å; D42-R46 PolarHBondContact O-N 3.05Å; D42-R46 VanDerWaalsContact O-N 3.13Å; D42-R46 PolarHBondContact O-NE 3.07Å; R46-E49 PolarHBondContact O-N 2.9Å; R46-R50 PolarHBondContact O-N 2.56Å |
| 47 | G | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A43 I44 N45 E49 R50 L51 | A43-G47 PolarHBondContact O-N 3.26Å; I44-G47 PolarHBondContact O-N 3.06Å; N45-G47 VanDerWaalsContact C-N 3.31Å; N45-G47 PolarHBondContact O-N 2.9Å; G47-E49 PolarHBondContact O-N 3.09Å; G47-R50 WeakPolarHBondContact O-CB 3.45Å; G47-R50 PolarHBondContact O-N 3.21Å; G47-R50 VanDerWaalsContact O-N 3.13Å; G47-L51 WeakPolarHBondContact O-CG 3.44Å; G47-L51 PolarHBondContact O-N 3.06Å |
| 48 | N | 95.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.9 | -77.6 | -31 | 0 | 0 | 0 | 112.3 | I44 N45 R50 L51 L52 L84 Q87 K89 | I44-N48 WeakPolarHBondContact CG2-ND2 3.17Å; I44-N48 WeakPolarHBondContact O-CB 3.38Å; I44-N48 VanDerWaalsContact O-CG 3.26Å; I44-N48 PolarHBondContact O-N 3.35Å; I44-N48 PolarHBondContact O-ND2 2.9Å; N45-N48 PolarHBondContact O-N 3.49Å; N48-R50 VanDerWaalsContact C-N 3.27Å; N48-R50 PolarHBondContact O-N 3.2Å; N48-L51 PolarHBondContact O-N 3.29Å; N48-L52 WeakPolarHBondContact O-CB 3.49Å; N48-L52 PolarHBondContact O-N 2.75Å; N48-L84 HydrophobicContact CB-CD2 4.25Å; N48-Q87 PolarHBondContact ND2-OE1 2.86Å; N48-Q87 PolarHBondContact OD1-NE2 2.91Å; N48-K89 PolarHBondContact ND2-NZ 3.25Å; N48-K89 VanDerWaalsContact ND2-NZ 3.16Å |
| 49 | E | 94.6 | Very high | 91.8 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 172.9 | -72.9 | 173.1 | -176.2 | 0 | 0 | 112 | N45 R46 G47 R53 | N45-E49 WeakPolarHBondContact O-CG 3.45Å; N45-E49 PolarHBondContact O-N 3.3Å; R46-E49 PolarHBondContact O-N 2.9Å; G47-E49 PolarHBondContact O-N 3.09Å; E49-R53 PolarHBondContact O-N 3.44Å |
| 50 | R | 95.8 | Very high | 92 | Very high | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 174.4 | -168.2 | 65.8 | 172 | 169.8 | 7.1 | 111.8 | N5 E17 T22 R46 G47 N48 L52 R53 Y54 | N5-R50 PolarHBondContact ND2-NH2 2.91Å; E17-R50 VanDerWaalsContact CD-NH2 3.28Å; E17-R50 IonicContact OE1-CZ 2.78Å; E17-R50 IonicContact OE1-NE 3.19Å; E17-R50 PolarHBondContact OE1-NE 3.44Å; E17-R50 IonicContact OE1-NH2 3.4Å; E17-R50 PolarHBondContact OE1-NH2 2.88Å; E17-R50 IonicContact OE2-CZ 2.82Å; E17-R50 VanDerWaalsContact OE2-CZ 3.22Å; E17-R50 IonicContact OE2-NE 2.72Å; E17-R50 PolarHBondContact OE2-NE 2.94Å; E17-R50 IonicContact OE2-NH2 3.48Å; E17-R50 PolarHBondContact OE2-NH2 3.36Å; T22-R50 HydrophobicContact CG2-CG 4.32Å; R46-R50 PolarHBondContact O-N 2.56Å; G47-R50 WeakPolarHBondContact O-CB 3.45Å; G47-R50 PolarHBondContact O-N 3.21Å; G47-R50 VanDerWaalsContact O-N 3.13Å; N48-R50 VanDerWaalsContact C-N 3.27Å; N48-R50 PolarHBondContact O-N 3.2Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 2.98Å; R50-R53 VanDerWaalsContact NH1-NH1 3.16Å; R50-R53 WeakPolarHBondContact O-CB 3.23Å; R50-R53 PolarHBondContact O-N 2.89Å; R50-Y54 HydrophobicContact CG-CE1 3.74Å; R50-Y54 WeakPolarHBondContact O-CD1 3.49Å; R50-Y54 PolarHBondContact O-N 2.76Å; R50-Y54 VanDerWaalsContact O-N 3.17Å |
| 51 | L | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.1 | -67.3 | 175.6 | 0 | 0 | 0 | 112 | T22 A23 L26 G47 N48 R53 Y54 L55 A80 V83 L84 | T22-L51 HydrophobicContact CG2-CD2 4.07Å; T22-L51 HydrophobicContact CG2-CG 4.48Å; A23-L51 HydrophobicContact CB-CD2 3.94Å; L26-L51 HydrophobicContact CB-CD1 3.88Å; L26-L51 HydrophobicContact CG-CD1 3.99Å; G47-L51 WeakPolarHBondContact O-CG 3.44Å; G47-L51 PolarHBondContact O-N 3.06Å; N48-L51 PolarHBondContact O-N 3.29Å; L51-R53 VanDerWaalsContact C-N 3.26Å; L51-R53 PolarHBondContact O-N 3.46Å; L51-Y54 HydrophobicContact CD2-CD2 3.84Å; L51-Y54 HydrophobicContact CD2-CE2 3.83Å; L51-Y54 WeakPolarHBondContact O-CB 3.31Å; L51-Y54 PolarHBondContact O-N 2.83Å; L51-Y54 VanDerWaalsContact O-N 3.1Å; L51-L55 PolarHBondContact O-N 2.81Å; L51-A80 HydrophobicContact CB-CB 4.17Å; L51-A80 HydrophobicContact CD2-CB 3.67Å; L51-A80 HydrophobicContact CG-CB 4.43Å; L51-V83 HydrophobicContact CD1-CB 4.21Å; L51-V83 HydrophobicContact CD1-CG1 3.84Å; L51-L84 HydrophobicContact CB-CD1 3.85Å; L51-L84 HydrophobicContact CB-CD2 4.33Å; L51-L84 HydrophobicContact CB-CG 4.07Å |
| 52 | L | 95.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 176.4 | -161.1 | 82.5 | 0 | 0 | 0 | 111.1 | N48 R50 L55 Q56 L84 P91 | N48-L52 WeakPolarHBondContact O-CB 3.49Å; N48-L52 PolarHBondContact O-N 2.75Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 2.98Å; L52-L55 WeakPolarHBondContact O-CB 3.43Å; L52-L55 PolarHBondContact O-N 2.71Å; L52-Q56 WeakPolarHBondContact O-CG 3.3Å; L52-Q56 PolarHBondContact O-N 3.33Å; L52-L84 HydrophobicContact CD1-CD1 4.28Å; L52-P91 HydrophobicContact CD1-CG 3.88Å |
| 53 | R | 95.1 | Very high | 91.9 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 36% | 0.362 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 174.2 | -76.4 | -171.2 | -75.7 | 170.4 | -7.1 | 112.9 | N5 E49 R50 L51 L55 Q56 D57 M60 | N5-R53 PolarHBondContact O-NH2 3.46Å; E49-R53 PolarHBondContact O-N 3.44Å; R50-R53 VanDerWaalsContact NH1-NH1 3.16Å; R50-R53 WeakPolarHBondContact O-CB 3.23Å; R50-R53 PolarHBondContact O-N 2.89Å; L51-R53 VanDerWaalsContact C-N 3.26Å; L51-R53 PolarHBondContact O-N 3.46Å; R53-L55 PolarHBondContact O-N 2.56Å; R53-Q56 PolarHBondContact O-N 3.12Å; R53-Q56 VanDerWaalsContact O-N 3.12Å; R53-D57 PolarHBondContact O-N 3.38Å; R53-M60 HydrophobicContact CB-CE 4.19Å; R53-M60 HydrophobicContact CB-SD 3.81Å |
| 54 | Y | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 174.1 | -60 | -11.7 | 0 | 0 | 0 | 112.1 | E17 Y19 T22 R50 L51 M60 M61 V76 Q77 A80 | E17-Y54 PolarHBondContact OE1-OH 2.74Å; Y19-Y54 HydrophobicContact CD1-CD1 4.21Å; Y19-Y54 AromaticContact CD1-CE1 3.48Å; Y19-Y54 HydrophobicContact CD1-CE1 3.48Å; Y19-Y54 VanDerWaalsContact CD1-CE1 3.48Å; Y19-Y54 HydrophobicContact CD1-CE2 4.31Å; Y19-Y54 AromaticContact CD1-CZ 3.54Å; Y19-Y54 AromaticContact CE1-CE1 3.84Å; Y19-Y54 HydrophobicContact CE1-CE1 3.84Å; T22-Y54 VanDerWaalsContact CB-OH 3.3Å; T22-Y54 WeakPolarHBondContact CB-OH 3.35Å; T22-Y54 HydrophobicContact CG2-CE2 4.12Å; T22-Y54 PolarHBondContact OG1-OH 2.91Å; T22-Y54 VanDerWaalsContact OG1-OH 3.13Å; R50-Y54 HydrophobicContact CG-CE1 3.74Å; R50-Y54 WeakPolarHBondContact O-CD1 3.49Å; R50-Y54 PolarHBondContact O-N 2.76Å; R50-Y54 VanDerWaalsContact O-N 3.17Å; L51-Y54 HydrophobicContact CD2-CD2 3.84Å; L51-Y54 HydrophobicContact CD2-CE2 3.83Å; L51-Y54 WeakPolarHBondContact O-CB 3.31Å; L51-Y54 PolarHBondContact O-N 2.83Å; L51-Y54 VanDerWaalsContact O-N 3.1Å; Y54-M60 HydrophobicContact CD1-CE 4Å; Y54-M60 HydrophobicContact CD1-SD 4.08Å; Y54-M60 HydrophobicContact CE1-CE 3.99Å; Y54-M61 HydrophobicContact CD1-CG 4.43Å; Y54-M61 HydrophobicContact CD1-SD 4.42Å; Y54-M61 HydrophobicContact CG-SD 4.27Å; Y54-V76 HydrophobicContact CD2-CG1 3.62Å; Y54-V76 HydrophobicContact CE2-CG1 3.96Å; Y54-V76 HydrophobicContact CG-CG1 4.31Å; Y54-Q77 WeakPolarHBondContact O-CG 3.42Å; Y54-Q77 PolarHBondContact O-NE2 2.68Å; Y54-A80 HydrophobicContact CD2-CB 4.21Å |
| 55 | L | 94.1 | Very high | 90.1 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.6 | -31.8 | 176.1 | -55.1 | -177 | 0 | 0 | 0 | 112.6 | L51 L52 R53 Q77 A80 A81 L84 A94 I98 | L51-L55 PolarHBondContact O-N 2.81Å; L52-L55 WeakPolarHBondContact O-CB 3.43Å; L52-L55 PolarHBondContact O-N 2.71Å; R53-L55 PolarHBondContact O-N 2.56Å; L55-Q77 WeakPolarHBondContact CD2-O 3.22Å; L55-A80 HydrophobicContact CD2-CB 4.22Å; L55-A81 HydrophobicContact CD2-CB 4.06Å; L55-L84 HydrophobicContact CD1-CD1 3.55Å; L55-L84 HydrophobicContact CG-CD1 4.2Å; L55-A94 HydrophobicContact CB-CB 4.1Å; L55-I98 HydrophobicContact CD2-CD1 3.56Å |
| 56 | Q | 90.1 | Very high | 89.5 | Confident | 126 Ų | 126 | 50.5 Ų | 50.5 | 59% | 0.589 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -92.3 | -36.4 | -172.6 | -69.1 | 172.7 | -17.1 | 0 | 0 | 114 | L52 R53 | L52-Q56 WeakPolarHBondContact O-CG 3.3Å; L52-Q56 PolarHBondContact O-N 3.33Å; R53-Q56 PolarHBondContact O-N 3.12Å; R53-Q56 VanDerWaalsContact O-N 3.12Å |
| 57 | D | 91.3 | Very high | 88.8 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | trans | -134.3 | 78 | -176.7 | 179.3 | 10.5 | 0 | 0 | 0 | 110.4 | R53 G59 M60 | R53-D57 PolarHBondContact O-N 3.38Å; D57-G59 PolarHBondContact O-N 3.27Å; D57-G59 VanDerWaalsContact O-N 3.12Å; D57-G59 WeakPolarHBondContact OD1-CA 3.41Å; D57-G59 PolarHBondContact OD1-N 3.05Å; D57-G59 VanDerWaalsContact OD1-N 3.1Å; D57-M60 WeakPolarHBondContact O-CG 3.31Å; D57-M60 PolarHBondContact O-N 2.82Å; D57-M60 PolarHBondContact OD1-N 3.33Å | ||
| 58 | P | 88.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 31% | 0.312 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -64.1 | -13.9 | 175.2 | 23.5 | -31.7 | 0 | 0 | 0 | 113.6 | M60 M61 K73 | P58-M60 PolarHBondContact O-N 3.08Å; P58-M61 HydrophobicContact CB-CE 3.79Å; P58-M61 PolarHBondContact O-N 2.98Å; P58-K73 WeakPolarHBondContact O-CE 3.49Å; P58-K73 PolarHBondContact O-NZ 2.92Å |
| 59 | G | 87.1 | Confident | 88.1 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -62.7 | -31.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D57 M61 | D57-G59 PolarHBondContact O-N 3.27Å; D57-G59 VanDerWaalsContact O-N 3.12Å; D57-G59 WeakPolarHBondContact OD1-CA 3.41Å; D57-G59 PolarHBondContact OD1-N 3.05Å; D57-G59 VanDerWaalsContact OD1-N 3.1Å; G59-M61 PolarHBondContact O-N 3.14Å |
| 60 | M | 89.8 | Confident | 87.8 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -64.9 | -23 | -179.5 | 78.8 | -169.2 | -89.4 | 0 | 0 | 114.3 | Y19 R53 Y54 D57 P58 S62 | Y19-M60 PolarHBondContact OH-O 3.05Å; Y19-M60 VanDerWaalsContact OH-O 3.14Å; R53-M60 HydrophobicContact CB-CE 4.19Å; R53-M60 HydrophobicContact CB-SD 3.81Å; Y54-M60 HydrophobicContact CD1-CE 4Å; Y54-M60 HydrophobicContact CD1-SD 4.08Å; Y54-M60 HydrophobicContact CE1-CE 3.99Å; D57-M60 WeakPolarHBondContact O-CG 3.31Å; D57-M60 PolarHBondContact O-N 2.82Å; D57-M60 PolarHBondContact OD1-N 3.33Å; P58-M60 PolarHBondContact O-N 3.08Å; M60-S62 PolarHBondContact O-N 2.88Å |
| 61 | M | 90.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | trans | -79.6 | 117.1 | -173.9 | -59.6 | -172 | -84.4 | 0 | 0 | 110.7 | Y19 Y54 P58 G59 K73 V76 Q77 | Y19-M61 HydrophobicContact CD1-CB 3.98Å; Y19-M61 HydrophobicContact CD1-CG 3.49Å; Y19-M61 VanDerWaalsContact CD1-CG 3.49Å; Y19-M61 HydrophobicContact CD1-SD 4.05Å; Y19-M61 HydrophobicContact CE1-CB 3.95Å; Y19-M61 HydrophobicContact CE1-CG 3.64Å; Y19-M61 HydrophobicContact CG-CB 4.27Å; Y19-M61 HydrophobicContact CG-CG 4.15Å; Y19-M61 HydrophobicContact CG-SD 4.43Å; Y54-M61 HydrophobicContact CD1-CG 4.43Å; Y54-M61 HydrophobicContact CD1-SD 4.42Å; Y54-M61 HydrophobicContact CG-SD 4.27Å; P58-M61 HydrophobicContact CB-CE 3.79Å; P58-M61 PolarHBondContact O-N 2.98Å; G59-M61 PolarHBondContact O-N 3.14Å; M61-K73 HydrophobicContact CB-CG 4.29Å; M61-K73 HydrophobicContact CE-CB 3.94Å; M61-K73 HydrophobicContact CE-CD 4.45Å; M61-K73 HydrophobicContact CE-CG 3.93Å; M61-K73 WeakPolarHBondContact O-CE 3.36Å; M61-K73 PolarHBondContact O-NZ 2.9Å; M61-K73 VanDerWaalsContact O-NZ 3.11Å; M61-V76 HydrophobicContact SD-CB 3.99Å; M61-V76 HydrophobicContact SD-CG1 3.54Å; M61-V76 VanDerWaalsContact SD-CG1 3.54Å; M61-Q77 HydrophobicContact CE-CG 3.77Å | ||
| 62 | S | 85 | Confident | 87.3 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 54% | 0.538 | 31% | 0.306 | S | S | . | . | trans | -111.8 | 115.9 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | Y19 M60 | Y19-S62 WeakPolarHBondContact CE2-O 3.37Å; M60-S62 PolarHBondContact O-N 2.88Å | ||
| 63 | I | 82.9 | Confident | 87.2 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | trans | -122.3 | 83.7 | -179.7 | -52.1 | 173.1 | 0 | 0 | 0 | 106.1 | Y19 Y65 A66 L69 V76 | Y19-I63 HydrophobicContact CD2-CG1 4.12Å; I63-Y65 HydrophobicContact CG2-CD2 4.42Å; I63-Y65 HydrophobicContact CG2-CE1 4.46Å; I63-Y65 HydrophobicContact CG2-CE2 4.03Å; I63-Y65 PolarHBondContact O-N 3.01Å; I63-Y65 VanDerWaalsContact O-N 3.12Å; I63-A66 HydrophobicContact CB-CB 4.23Å; I63-A66 HydrophobicContact CG2-CB 3.61Å; I63-A66 PolarHBondContact O-N 2.87Å; I63-L69 HydrophobicContact CB-CD1 3.97Å; I63-L69 HydrophobicContact CG1-CD1 4.34Å; I63-V76 HydrophobicContact CD1-CG2 4.48Å | ||
| 64 | P | 71 | Confident | 87.1 | Confident | 110 Ų | 110 | 50.5 Ų | 50.5 | 71% | 0.714 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.6 | -162.4 | -20.9 | 32 | 0 | 0 | 0 | 114.1 | ||
| 65 | Y | 73.2 | Confident | 87.1 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 2.8 | -169.9 | 57.8 | -104.2 | 0 | 0 | 0 | 112.8 | E18 I63 W145 G147 | E18-Y65 PolarHBondContact OE2-OH 2.95Å; I63-Y65 HydrophobicContact CG2-CD2 4.42Å; I63-Y65 HydrophobicContact CG2-CE1 4.46Å; I63-Y65 HydrophobicContact CG2-CE2 4.03Å; I63-Y65 PolarHBondContact O-N 3.01Å; I63-Y65 VanDerWaalsContact O-N 3.12Å; Y65-W145 AromaticContact CD2-CE3 3.92Å; Y65-W145 HydrophobicContact CD2-CE3 3.92Å; Y65-W145 AromaticContact CD2-CH2 3.27Å; Y65-W145 HydrophobicContact CD2-CH2 3.27Å; Y65-W145 HydrophobicContact CD2-CZ2 4.14Å; Y65-W145 AromaticContact CD2-CZ3 3.16Å; Y65-W145 HydrophobicContact CD2-CZ3 3.16Å; Y65-W145 AromaticContact CE2-CH2 3.71Å; Y65-W145 HydrophobicContact CE2-CH2 3.71Å; Y65-W145 HydrophobicContact CE2-CZ2 4.26Å; Y65-W145 HydrophobicContact CE2-CZ3 4.06Å; Y65-W145 HydrophobicContact CG-CH2 4.02Å; Y65-W145 AromaticContact CG-CZ3 3.74Å; Y65-W145 HydrophobicContact CG-CZ3 3.74Å; Y65-W145 WeakPolarHBondContact O-CZ3 3.46Å; Y65-G147 VanDerWaalsContact CE2-CA 3.43Å; Y65-G147 WeakPolarHBondContact CE2-O 3.16Å; Y65-G147 PolarHBondContact OH-O 3.31Å |
| 66 | A | 78.9 | Confident | 87.1 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | trans | -86.3 | 128.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I63 N68 S72 | I63-A66 HydrophobicContact CB-CB 4.23Å; I63-A66 HydrophobicContact CG2-CB 3.61Å; I63-A66 PolarHBondContact O-N 2.87Å; A66-N68 PolarHBondContact O-N 3.44Å; A66-S72 VanDerWaalsContact CB-OG 3.31Å; A66-S72 WeakPolarHBondContact CB-OG 2.94Å | ||
| 67 | D | 79.6 | Confident | 87.4 | Confident | 105 Ų | 105 | 45.9 Ų | 45.9 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -71 | -22.2 | 176.8 | -65.3 | -32.5 | 0 | 0 | 0 | 112.3 | K144 W145 | D67-K144 HydrophobicContact CB-CB 3.85Å; D67-K144 HydrophobicContact CB-CG 4.16Å; D67-K144 WeakPolarHBondContact OD2-CA 3.38Å; D67-W145 PolarHBondContact N-O 2.8Å; D67-W145 PolarHBondContact OD2-N 3.15Å |
| 68 | N | 86.3 | Confident | 87.7 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | trans | -128.4 | 84.2 | 176.7 | -169.8 | -10.7 | 0 | 0 | 0 | 111.5 | A66 K70 A71 S72 K144 L146 | A66-N68 PolarHBondContact O-N 3.44Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.07Å; N68-K70 PolarHBondContact OD1-N 3.46Å; N68-A71 HydrophobicContact CB-CB 4.12Å; N68-A71 VanDerWaalsContact CG-CB 3.48Å; N68-A71 WeakPolarHBondContact ND2-CB 3.02Å; N68-A71 PolarHBondContact O-N 2.94Å; N68-A71 PolarHBondContact OD1-N 3.13Å; N68-S72 PolarHBondContact O-N 3.31Å; N68-S72 PolarHBondContact O-OG 3.25Å; N68-K144 HydrophobicContact CB-CD 4.3Å; N68-L146 HydrophobicContact CB-CD2 4.18Å | ||
| 69 | L | 88.2 | Confident | 88.1 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 40% | 0.403 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.7 | -37.1 | -178.4 | -175.3 | 63.5 | 0 | 0 | 0 | 113.2 | I63 S72 K73 | I63-L69 HydrophobicContact CB-CD1 3.97Å; I63-L69 HydrophobicContact CG1-CD1 4.34Å; L69-S72 PolarHBondContact O-N 3.03Å; L69-K73 HydrophobicContact CD1-CG 4.42Å; L69-K73 HydrophobicContact CG-CD 4.34Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.05Å |
| 70 | K | 90 | Very high | 88.6 | Confident | 137 Ų | 137 | 37.6 Ų | 37.6 | 60% | 0.596 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.8 | -48.9 | 179.7 | -69.6 | -172.1 | 179 | -174.5 | 0 | 111.6 | N68 S72 K73 F74 D104 | N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.07Å; N68-K70 PolarHBondContact OD1-N 3.46Å; K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 2.68Å; K70-K73 PolarHBondContact O-N 3.14Å; K70-F74 PolarHBondContact O-N 2.96Å; K70-D104 HydrophobicContact CB-CB 4.23Å; K70-D104 WeakPolarHBondContact CD-OD1 3.44Å |
| 71 | A | 90.9 | Very high | 89 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | N68 F74 A75 D104 A106 L146 | N68-A71 HydrophobicContact CB-CB 4.12Å; N68-A71 VanDerWaalsContact CG-CB 3.48Å; N68-A71 WeakPolarHBondContact ND2-CB 3.02Å; N68-A71 PolarHBondContact O-N 2.94Å; N68-A71 PolarHBondContact OD1-N 3.13Å; A71-F74 PolarHBondContact O-N 2.85Å; A71-A75 WeakPolarHBondContact O-CB 3.4Å; A71-A75 PolarHBondContact O-N 3.42Å; A71-D104 WeakPolarHBondContact CA-O 3.27Å; A71-D104 VanDerWaalsContact CB-O 3.26Å; A71-D104 WeakPolarHBondContact CB-O 3.24Å; A71-A106 HydrophobicContact CB-CB 3.57Å; A71-L146 HydrophobicContact CB-CD2 3.82Å |
| 72 | S | 90.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 178.1 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | A66 N68 L69 K70 A75 V76 L146 | A66-S72 VanDerWaalsContact CB-OG 3.31Å; A66-S72 WeakPolarHBondContact CB-OG 2.94Å; N68-S72 PolarHBondContact O-N 3.31Å; N68-S72 PolarHBondContact O-OG 3.25Å; L69-S72 PolarHBondContact O-N 3.03Å; K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 2.68Å; S72-A75 PolarHBondContact O-N 2.93Å; S72-V76 WeakPolarHBondContact O-CG2 3.14Å; S72-V76 PolarHBondContact O-N 2.85Å; S72-L146 PolarHBondContact OG-O 3.14Å |
| 73 | K | 93 | Very high | 89.9 | Confident | 38 Ų | 38 | 32 Ų | 32 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -45 | 174.4 | -73.3 | -177 | -179.1 | -155.4 | 0 | 111.7 | P58 M61 L69 K70 A75 V76 Q77 | P58-K73 WeakPolarHBondContact O-CE 3.49Å; P58-K73 PolarHBondContact O-NZ 2.92Å; M61-K73 HydrophobicContact CB-CG 4.29Å; M61-K73 HydrophobicContact CE-CB 3.94Å; M61-K73 HydrophobicContact CE-CD 4.45Å; M61-K73 HydrophobicContact CE-CG 3.93Å; M61-K73 WeakPolarHBondContact O-CE 3.36Å; M61-K73 PolarHBondContact O-NZ 2.9Å; M61-K73 VanDerWaalsContact O-NZ 3.11Å; L69-K73 HydrophobicContact CD1-CG 4.42Å; L69-K73 HydrophobicContact CG-CD 4.34Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.05Å; K70-K73 PolarHBondContact O-N 3.14Å; K73-A75 VanDerWaalsContact C-N 3.31Å; K73-A75 PolarHBondContact O-N 3.28Å; K73-V76 PolarHBondContact O-N 3.35Å; K73-Q77 WeakPolarHBondContact O-CB 3.35Å; K73-Q77 WeakPolarHBondContact O-CG 3.45Å; K73-Q77 PolarHBondContact O-N 3.02Å |
| 74 | F | 94.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 176.6 | -176.6 | -90.1 | 0 | 0 | 0 | 111.9 | K70 A71 Q77 S78 I98 H101 D104 A105 P110 L111 L114 | K70-F74 PolarHBondContact O-N 2.96Å; A71-F74 PolarHBondContact O-N 2.85Å; F74-Q77 PolarHBondContact O-N 3.22Å; F74-S78 WeakPolarHBondContact CE1-OG 3.44Å; F74-S78 WeakPolarHBondContact O-CB 3.17Å; F74-S78 PolarHBondContact O-N 2.96Å; F74-S78 PolarHBondContact O-OG 2.88Å; F74-I98 HydrophobicContact CD2-CG2 4.18Å; F74-I98 HydrophobicContact CE2-CG2 3.82Å; F74-I98 WeakPolarHBondContact CE2-O 3.46Å; F74-I98 HydrophobicContact CZ-CG2 4.48Å; F74-H101 HydrophobicContact CD2-CB 4.38Å; F74-D104 HydrophobicContact CB-CB 4.31Å; F74-A105 HydrophobicContact CD1-CB 3.78Å; F74-A105 HydrophobicContact CE1-CB 3.56Å; F74-A105 HydrophobicContact CZ-CB 4.22Å; F74-P110 HydrophobicContact CD1-CB 3.76Å; F74-P110 HydrophobicContact CE1-CB 3.7Å; F74-L111 HydrophobicContact CE1-CD2 4.08Å; F74-L111 HydrophobicContact CE1-CG 4.3Å; F74-L111 HydrophobicContact CZ-CD2 3.9Å; F74-L114 HydrophobicContact CE2-CD2 4.39Å; F74-L114 HydrophobicContact CZ-CD2 4Å |
| 75 | A | 93.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 15% | 0.149 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A71 S72 K73 Q77 S78 Y79 P110 | A71-A75 WeakPolarHBondContact O-CB 3.4Å; A71-A75 PolarHBondContact O-N 3.42Å; S72-A75 PolarHBondContact O-N 2.93Å; K73-A75 VanDerWaalsContact C-N 3.31Å; K73-A75 PolarHBondContact O-N 3.28Å; A75-Q77 PolarHBondContact O-N 2.89Å; A75-S78 PolarHBondContact O-N 3.42Å; A75-Y79 PolarHBondContact O-N 3.37Å; A75-P110 HydrophobicContact CB-CB 4.31Å; A75-P110 HydrophobicContact CB-CG 3.66Å |
| 76 | V | 94.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | W20 Y54 M61 I63 S72 K73 Y79 A80 | W20-V76 HydrophobicContact CB-CG2 4.26Å; Y54-V76 HydrophobicContact CD2-CG1 3.62Å; Y54-V76 HydrophobicContact CE2-CG1 3.96Å; Y54-V76 HydrophobicContact CG-CG1 4.31Å; M61-V76 HydrophobicContact SD-CB 3.99Å; M61-V76 HydrophobicContact SD-CG1 3.54Å; M61-V76 VanDerWaalsContact SD-CG1 3.54Å; I63-V76 HydrophobicContact CD1-CG2 4.48Å; S72-V76 WeakPolarHBondContact O-CG2 3.14Å; S72-V76 PolarHBondContact O-N 2.85Å; K73-V76 PolarHBondContact O-N 3.35Å; V76-Y79 PolarHBondContact O-N 3.47Å; V76-A80 VanDerWaalsContact O-CB 3.32Å; V76-A80 WeakPolarHBondContact O-CB 3.36Å; V76-A80 PolarHBondContact O-N 3.03Å |
| 77 | Q | 96.8 | Very high | 93.5 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 179.3 | -73.9 | -175.4 | -65 | 0 | 0 | 111.8 | Y54 L55 M61 K73 F74 A75 Y79 A80 A81 I98 | Y54-Q77 WeakPolarHBondContact O-CG 3.42Å; Y54-Q77 PolarHBondContact O-NE2 2.68Å; L55-Q77 WeakPolarHBondContact CD2-O 3.22Å; M61-Q77 HydrophobicContact CE-CG 3.77Å; K73-Q77 WeakPolarHBondContact O-CB 3.35Å; K73-Q77 WeakPolarHBondContact O-CG 3.45Å; K73-Q77 PolarHBondContact O-N 3.02Å; F74-Q77 PolarHBondContact O-N 3.22Å; A75-Q77 PolarHBondContact O-N 2.89Å; Q77-Y79 VanDerWaalsContact C-N 3.34Å; Q77-Y79 PolarHBondContact O-N 3.33Å; Q77-A80 PolarHBondContact O-N 2.88Å; Q77-A81 VanDerWaalsContact O-CB 3.23Å; Q77-A81 WeakPolarHBondContact O-CB 3.31Å; Q77-A81 PolarHBondContact O-N 2.64Å; Q77-I98 HydrophobicContact CB-CD1 3.91Å; Q77-I98 HydrophobicContact CB-CG1 4.24Å; Q77-I98 HydrophobicContact CB-CG2 4.46Å |
| 78 | S | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 178.9 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | F74 A75 A81 L82 P110 | F74-S78 WeakPolarHBondContact CE1-OG 3.44Å; F74-S78 WeakPolarHBondContact O-CB 3.17Å; F74-S78 PolarHBondContact O-N 2.96Å; F74-S78 PolarHBondContact O-OG 2.88Å; A75-S78 PolarHBondContact O-N 3.42Å; S78-A81 WeakPolarHBondContact O-CB 3.42Å; S78-A81 PolarHBondContact O-N 2.68Å; S78-L82 PolarHBondContact O-N 3.45Å; S78-L82 VanDerWaalsContact O-N 3.12Å; S78-P110 WeakPolarHBondContact CB-O 3.36Å; S78-P110 PolarHBondContact OG-O 2.88Å |
| 79 | Y | 96.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.9 | -43.9 | 175.9 | -161.6 | -179.6 | 0 | 0 | 0 | 111.7 | A23 D27 A75 V76 Q77 A81 L82 V83 | A23-Y79 HydrophobicContact CB-CD1 3.72Å; A23-Y79 HydrophobicContact CB-CD2 4.29Å; A23-Y79 HydrophobicContact CB-CE1 4.28Å; A23-Y79 HydrophobicContact CB-CG 3.73Å; D27-Y79 HydrophobicContact CB-CE2 4.14Å; A75-Y79 PolarHBondContact O-N 3.37Å; V76-Y79 PolarHBondContact O-N 3.47Å; Q77-Y79 VanDerWaalsContact C-N 3.34Å; Q77-Y79 PolarHBondContact O-N 3.33Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 3.48Å; Y79-L82 HydrophobicContact CD2-CD2 4.36Å; Y79-L82 HydrophobicContact CE2-CD2 4.45Å; Y79-L82 WeakPolarHBondContact O-CB 3.49Å; Y79-L82 PolarHBondContact O-N 3.37Å; Y79-V83 HydrophobicContact CD2-CG2 3.97Å; Y79-V83 HydrophobicContact CE2-CG2 3.93Å; Y79-V83 WeakPolarHBondContact O-CG2 3.29Å; Y79-V83 PolarHBondContact O-N 2.81Å; Y79-V83 VanDerWaalsContact O-N 3.09Å |
| 80 | A | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L51 Y54 L55 V76 Q77 V83 L84 | L51-A80 HydrophobicContact CB-CB 4.17Å; L51-A80 HydrophobicContact CD2-CB 3.67Å; L51-A80 HydrophobicContact CG-CB 4.43Å; Y54-A80 HydrophobicContact CD2-CB 4.21Å; L55-A80 HydrophobicContact CD2-CB 4.22Å; V76-A80 VanDerWaalsContact O-CB 3.32Å; V76-A80 WeakPolarHBondContact O-CB 3.36Å; V76-A80 PolarHBondContact O-N 3.03Å; Q77-A80 PolarHBondContact O-N 2.88Å; A80-V83 PolarHBondContact O-N 3.13Å; A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 WeakPolarHBondContact O-CG 3.46Å; A80-L84 PolarHBondContact O-N 3.46Å |
| 81 | A | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L55 Q77 S78 Y79 V83 L84 A85 L95 A117 | L55-A81 HydrophobicContact CD2-CB 4.06Å; Q77-A81 VanDerWaalsContact O-CB 3.23Å; Q77-A81 WeakPolarHBondContact O-CB 3.31Å; Q77-A81 PolarHBondContact O-N 2.64Å; S78-A81 WeakPolarHBondContact O-CB 3.42Å; S78-A81 PolarHBondContact O-N 2.68Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 3.48Å; A81-V83 PolarHBondContact O-N 3Å; A81-L84 PolarHBondContact O-N 3.17Å; A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 3.14Å; A81-L95 HydrophobicContact CB-CD2 3.27Å; A81-A117 HydrophobicContact CB-CB 4.09Å |
| 82 | L | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 176.6 | 176 | 67.8 | 0 | 0 | 0 | 112 | S78 Y79 L84 A85 R86 Q113 V116 L162 | S78-L82 PolarHBondContact O-N 3.45Å; S78-L82 VanDerWaalsContact O-N 3.12Å; Y79-L82 HydrophobicContact CD2-CD2 4.36Å; Y79-L82 HydrophobicContact CE2-CD2 4.45Å; Y79-L82 WeakPolarHBondContact O-CB 3.49Å; Y79-L82 PolarHBondContact O-N 3.37Å; L82-L84 PolarHBondContact O-N 3.1Å; L82-A85 PolarHBondContact O-N 3.1Å; L82-R86 PolarHBondContact O-N 3.07Å; L82-Q113 HydrophobicContact CB-CB 4.21Å; L82-Q113 HydrophobicContact CD2-CB 4.26Å; L82-Q113 HydrophobicContact CD2-CG 3.95Å; L82-V116 HydrophobicContact CD1-CB 3.99Å; L82-V116 HydrophobicContact CD1-CG1 3.57Å; L82-L162 HydrophobicContact CD1-CD2 4.41Å; L82-L162 HydrophobicContact CD2-CD1 4.27Å; L82-L162 HydrophobicContact CD2-CD2 3.74Å |
| 83 | V | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | -176.9 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | L26 D27 L51 Y79 A80 A81 Q87 | L26-V83 HydrophobicContact CB-CG1 3.96Å; D27-V83 HydrophobicContact CB-CG2 3.69Å; L51-V83 HydrophobicContact CD1-CB 4.21Å; L51-V83 HydrophobicContact CD1-CG1 3.84Å; Y79-V83 HydrophobicContact CD2-CG2 3.97Å; Y79-V83 HydrophobicContact CE2-CG2 3.93Å; Y79-V83 WeakPolarHBondContact O-CG2 3.29Å; Y79-V83 PolarHBondContact O-N 2.81Å; Y79-V83 VanDerWaalsContact O-N 3.09Å; A80-V83 PolarHBondContact O-N 3.13Å; A81-V83 PolarHBondContact O-N 3Å; V83-Q87 PolarHBondContact O-NE2 3.49Å |
| 84 | L | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.8 | -37.3 | 175 | -72.7 | 169.3 | 0 | 0 | 0 | 111.8 | N48 L51 L52 L55 A80 A81 L82 Q87 Q88 K89 A90 | N48-L84 HydrophobicContact CB-CD2 4.25Å; L51-L84 HydrophobicContact CB-CD1 3.85Å; L51-L84 HydrophobicContact CB-CD2 4.33Å; L51-L84 HydrophobicContact CB-CG 4.07Å; L52-L84 HydrophobicContact CD1-CD1 4.28Å; L55-L84 HydrophobicContact CD1-CD1 3.55Å; L55-L84 HydrophobicContact CG-CD1 4.2Å; A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 WeakPolarHBondContact O-CG 3.46Å; A80-L84 PolarHBondContact O-N 3.46Å; A81-L84 PolarHBondContact O-N 3.17Å; L82-L84 PolarHBondContact O-N 3.1Å; L84-Q87 CarbonylContact O-C 3.6Å; L84-Q87 PolarHBondContact O-N 2.95Å; L84-Q88 PolarHBondContact O-N 3.06Å; L84-K89 HydrophobicContact CB-CB 4.43Å; L84-K89 HydrophobicContact CD2-CB 3.97Å; L84-K89 PolarHBondContact O-N 2.88Å; L84-A90 HydrophobicContact CB-CB 3.82Å; L84-A90 PolarHBondContact O-N 2.96Å |
| 85 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A81 L82 Q87 Q88 A90 A117 T120 M121 | A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 3.14Å; L82-A85 PolarHBondContact O-N 3.1Å; A85-Q87 PolarHBondContact O-N 3.32Å; A85-Q88 PolarHBondContact O-N 2.91Å; A85-A90 HydrophobicContact CB-CB 4.05Å; A85-A117 HydrophobicContact CB-CB 3.82Å; A85-T120 HydrophobicContact CB-CG2 4.27Å; A85-T120 WeakPolarHBondContact O-CG2 3.26Å; A85-M121 HydrophobicContact CB-CG 3.85Å; A85-M121 HydrophobicContact CB-SD 4.01Å |
| 86 | R | 94.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 30.1 Ų | 30.1 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.6 | -32.4 | 173 | -178.1 | 173.1 | -79.7 | 149.1 | -4.7 | 112.4 | D27 R31 E34 L82 E165 | D27-R86 IonicContact OD1-CZ 3.44Å; D27-R86 IonicContact OD1-NH1 2.65Å; D27-R86 PolarHBondContact OD1-NH1 2.93Å; D27-R86 IonicContact OD2-NH1 3.94Å; R31-R86 VanDerWaalsContact CZ-NH2 3.31Å; E34-R86 VanDerWaalsContact OE1-CD 3.29Å; E34-R86 WeakPolarHBondContact OE1-CD 3.4Å; E34-R86 WeakPolarHBondContact OE1-CG 3.24Å; L82-R86 PolarHBondContact O-N 3.07Å; R86-E165 IonicContact CZ-OE1 3.86Å; R86-E165 IonicContact NE-OE1 3.29Å; R86-E165 IonicContact NH2-OE1 3.53Å; R86-E165 PolarHBondContact NH2-OE1 2.7Å; R86-E165 IonicContact NH2-OE2 2.87Å; R86-E165 PolarHBondContact NH2-OE2 2.93Å |
| 87 | Q | 93 | Very high | 95.2 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 21% | 0.206 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.7 | 176.6 | -63.5 | 173.2 | 80.6 | 0 | 0 | 113.8 | V30 N48 V83 L84 A85 K89 | V30-Q87 HydrophobicContact CG1-CG 3.98Å; V30-Q87 HydrophobicContact CG2-CG 4.12Å; N48-Q87 PolarHBondContact ND2-OE1 2.86Å; N48-Q87 PolarHBondContact OD1-NE2 2.91Å; V83-Q87 PolarHBondContact O-NE2 3.49Å; L84-Q87 CarbonylContact O-C 3.6Å; L84-Q87 PolarHBondContact O-N 2.95Å; A85-Q87 PolarHBondContact O-N 3.32Å; Q87-K89 VanDerWaalsContact C-N 3.26Å; Q87-K89 HydrophobicContact CB-CD 4.17Å; Q87-K89 HydrophobicContact CB-CG 4.21Å; Q87-K89 PolarHBondContact O-N 2.74Å |
| 88 | Q | 92.1 | Very high | 95.1 | Very high | 124 Ų | 124 | 34.7 Ų | 34.7 | 58% | 0.579 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 32.4 | -175.3 | -60.9 | -67.7 | -36.3 | 0 | 0 | 114 | L84 A85 | L84-Q88 PolarHBondContact O-N 3.06Å; A85-Q88 PolarHBondContact O-N 2.91Å |
| 89 | K | 92.2 | Very high | 95.1 | Very high | 93 Ų | 93 | 35.2 Ų | 35.2 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | trans | -112.2 | -7.1 | -177 | -69.3 | 179.7 | -176.4 | 176.3 | 0 | 114.4 | N48 L84 Q87 P91 | N48-K89 PolarHBondContact ND2-NZ 3.25Å; N48-K89 VanDerWaalsContact ND2-NZ 3.16Å; L84-K89 HydrophobicContact CB-CB 4.43Å; L84-K89 HydrophobicContact CD2-CB 3.97Å; L84-K89 PolarHBondContact O-N 2.88Å; Q87-K89 VanDerWaalsContact C-N 3.26Å; Q87-K89 HydrophobicContact CB-CD 4.17Å; Q87-K89 HydrophobicContact CB-CG 4.21Å; Q87-K89 PolarHBondContact O-N 2.74Å; K89-P91 WeakPolarHBondContact O-CD 3.31Å | ||
| 90 | A | 92.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | trans | -76.5 | 121.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | L84 A85 L92 L95 M121 | L84-A90 HydrophobicContact CB-CB 3.82Å; L84-A90 PolarHBondContact O-N 2.96Å; A85-A90 HydrophobicContact CB-CB 4.05Å; A90-L92 PolarHBondContact O-N 3.01Å; A90-L95 HydrophobicContact CB-CD1 4.06Å; A90-L95 HydrophobicContact CB-CD2 4.43Å; A90-L95 HydrophobicContact CB-CG 4.4Å; A90-M121 HydrophobicContact CB-CG 4.03Å; A90-M121 HydrophobicContact CB-SD 4.21Å; A90-M121 VanDerWaalsContact O-CE 3.24Å; A90-M121 WeakPolarHBondContact O-CE 2.99Å | ||
| 91 | P | 92.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | trans | -68.1 | 121.9 | 175.6 | -17.7 | 31.5 | 0 | 0 | 0 | 110.6 | L52 K89 G93 A94 L95 | L52-P91 HydrophobicContact CD1-CG 3.88Å; K89-P91 WeakPolarHBondContact O-CD 3.31Å; P91-G93 PolarHBondContact O-N 3.46Å; P91-A94 HydrophobicContact CB-CB 4.23Å; P91-A94 WeakPolarHBondContact O-CB 3.43Å; P91-A94 PolarHBondContact O-N 3.4Å; P91-L95 PolarHBondContact O-N 3.35Å | ||
| 92 | L | 92.2 | Very high | 94.8 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -34 | -177.2 | -172.3 | 62.5 | 0 | 0 | 0 | 113.3 | A90 A94 L95 R96 L118 M121 D123 | A90-L92 PolarHBondContact O-N 3.01Å; L92-A94 VanDerWaalsContact C-N 3.33Å; L92-A94 PolarHBondContact O-N 2.81Å; L92-L95 HydrophobicContact CD1-CD1 4.19Å; L92-L95 PolarHBondContact O-N 3.09Å; L92-R96 WeakPolarHBondContact O-CG 3.33Å; L92-R96 PolarHBondContact O-N 3.33Å; L92-R96 VanDerWaalsContact O-N 3.11Å; L92-L118 HydrophobicContact CD1-CD2 4.49Å; L92-M121 HydrophobicContact CD1-CB 3.88Å; L92-D123 HydrophobicContact CD1-CB 3.93Å |
| 93 | G | 92 | Very high | 94.6 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P91 R96 E97 | P91-G93 PolarHBondContact O-N 3.46Å; G93-R96 PolarHBondContact O-N 3.17Å; G93-E97 PolarHBondContact O-N 2.86Å; G93-E97 VanDerWaalsContact O-N 3.07Å |
| 94 | A | 94.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.2 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L55 P91 L92 R96 E97 I98 | L55-A94 HydrophobicContact CB-CB 4.1Å; P91-A94 HydrophobicContact CB-CB 4.23Å; P91-A94 WeakPolarHBondContact O-CB 3.43Å; P91-A94 PolarHBondContact O-N 3.4Å; L92-A94 VanDerWaalsContact C-N 3.33Å; L92-A94 PolarHBondContact O-N 2.81Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 2.91Å; A94-E97 PolarHBondContact O-N 2.82Å; A94-I98 WeakPolarHBondContact O-CG1 3.47Å; A94-I98 PolarHBondContact O-N 2.91Å |
| 95 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 174.3 | -64.5 | 172.4 | 0 | 0 | 0 | 111.9 | A81 A90 P91 L92 I98 W99 L114 A117 L118 M121 | A81-L95 HydrophobicContact CB-CD2 3.27Å; A90-L95 HydrophobicContact CB-CD1 4.06Å; A90-L95 HydrophobicContact CB-CD2 4.43Å; A90-L95 HydrophobicContact CB-CG 4.4Å; P91-L95 PolarHBondContact O-N 3.35Å; L92-L95 HydrophobicContact CD1-CD1 4.19Å; L92-L95 PolarHBondContact O-N 3.09Å; L95-I98 PolarHBondContact O-N 3.14Å; L95-W99 PolarHBondContact O-N 2.76Å; L95-W99 VanDerWaalsContact O-N 3.08Å; L95-L114 HydrophobicContact CD2-CD1 4.17Å; L95-A117 HydrophobicContact CD1-CB 4.48Å; L95-A117 HydrophobicContact CD2-CB 3.89Å; L95-L118 HydrophobicContact CB-CD2 3.66Å; L95-L118 HydrophobicContact CB-CG 4.24Å; L95-M121 HydrophobicContact CD1-CB 3.8Å; L95-M121 HydrophobicContact CD1-CG 3.58Å |
| 96 | R | 96.5 | Very high | 93.8 | Very high | 100 Ų | 100 | 56 Ų | 56 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 176 | -71.9 | 171.1 | 173.5 | 164.4 | 0.5 | 112.1 | L92 G93 A94 W99 E100 L118 D123 | L92-R96 WeakPolarHBondContact O-CG 3.33Å; L92-R96 PolarHBondContact O-N 3.33Å; L92-R96 VanDerWaalsContact O-N 3.11Å; G93-R96 PolarHBondContact O-N 3.17Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 2.91Å; R96-W99 WeakPolarHBondContact O-CB 3.22Å; R96-W99 PolarHBondContact O-N 3.38Å; R96-E100 PolarHBondContact O-N 2.8Å; R96-L118 HydrophobicContact CG-CD2 4.49Å; R96-D123 IonicContact CZ-OD2 3.09Å; R96-D123 IonicContact NE-OD2 3.85Å; R96-D123 PolarHBondContact NE-OD2 2.91Å; R96-D123 IonicContact NH2-OD2 2.81Å; R96-D123 PolarHBondContact NH2-OD2 3.25Å; R96-D123 VanDerWaalsContact NH2-OD2 3.09Å |
| 97 | E | 95.1 | Very high | 93.7 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 175.1 | -169.5 | 67.6 | -174.5 | 0 | 0 | 111.4 | G93 A94 W99 E100 H101 | G93-E97 PolarHBondContact O-N 2.86Å; G93-E97 VanDerWaalsContact O-N 3.07Å; A94-E97 PolarHBondContact O-N 2.82Å; E97-W99 PolarHBondContact O-N 3.01Å; E97-E100 PolarHBondContact O-N 2.98Å; E97-E100 VanDerWaalsContact O-N 3.09Å; E97-H101 PolarHBondContact O-CD2 3.24Å; E97-H101 VanDerWaalsContact O-CD2 3.31Å |
| 98 | I | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 176 | -64.2 | 160.6 | 0 | 0 | 0 | 110.7 | L55 F74 Q77 A94 L95 E100 H101 L114 | L55-I98 HydrophobicContact CD2-CD1 3.56Å; F74-I98 HydrophobicContact CD2-CG2 4.18Å; F74-I98 HydrophobicContact CE2-CG2 3.82Å; F74-I98 WeakPolarHBondContact CE2-O 3.46Å; F74-I98 HydrophobicContact CZ-CG2 4.48Å; Q77-I98 HydrophobicContact CB-CD1 3.91Å; Q77-I98 HydrophobicContact CB-CG1 4.24Å; Q77-I98 HydrophobicContact CB-CG2 4.46Å; A94-I98 WeakPolarHBondContact O-CG1 3.47Å; A94-I98 PolarHBondContact O-N 2.91Å; L95-I98 PolarHBondContact O-N 3.14Å; I98-E100 VanDerWaalsContact C-N 3.28Å; I98-E100 PolarHBondContact O-N 3.46Å; I98-H101 CarbonylContact O-C 3.54Å; I98-H101 WeakPolarHBondContact O-CA 3.33Å; I98-H101 WeakPolarHBondContact O-CB 3.45Å; I98-H101 PolarHBondContact O-N 3.49Å; I98-L114 HydrophobicContact CB-CD1 4.21Å; I98-L114 HydrophobicContact CG2-CD1 3.98Å; I98-L114 HydrophobicContact CG2-CD2 3.87Å |
| 99 | W | 96.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 176.6 | 173.3 | -105.9 | 0 | 0 | 0 | 113.9 | L95 R96 E97 H101 R102 L114 L118 R126 E129 S130 | L95-W99 PolarHBondContact O-N 2.76Å; L95-W99 VanDerWaalsContact O-N 3.08Å; R96-W99 WeakPolarHBondContact O-CB 3.22Å; R96-W99 PolarHBondContact O-N 3.38Å; E97-W99 PolarHBondContact O-N 3.01Å; W99-H101 PolarHBondContact O-N 3.17Å; W99-R102 HydrophobicContact CE3-CB 4.02Å; W99-R102 VanDerWaalsContact CH2-CD 3.46Å; W99-R102 HydrophobicContact CZ3-CB 4.06Å; W99-R102 HydrophobicContact CZ3-CG 4.46Å; W99-R102 VanDerWaalsContact O-CB 3.3Å; W99-R102 WeakPolarHBondContact O-CB 3.49Å; W99-R102 WeakPolarHBondContact O-CD 3.37Å; W99-R102 VanDerWaalsContact O-CG 3.29Å; W99-R102 WeakPolarHBondContact O-CG 3.38Å; W99-R102 PolarHBondContact O-N 2.9Å; W99-R102 VanDerWaalsContact O-N 3.17Å; W99-R102 PolarHBondContact O-NH1 3.26Å; W99-L114 HydrophobicContact CB-CD2 4.31Å; W99-L114 HydrophobicContact CE3-CD2 4.11Å; W99-L118 HydrophobicContact CB-CD1 4.5Å; W99-R126 VanDerWaalsContact CD1-CD 3.5Å; W99-R126 HydrophobicContact CG-CG 4.48Å; W99-E129 HydrophobicContact CH2-CB 3.9Å; W99-E129 HydrophobicContact CZ2-CB 3.82Å; W99-E129 WeakPolarHBondContact CZ2-OE2 3.19Å; W99-S130 VanDerWaalsContact CZ3-CA 3.46Å |
| 100 | E | 96 | Very high | 94.1 | Very high | 104 Ų | 104 | 42 Ų | 42 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -22 | 174.2 | -61.4 | -50.1 | 146.4 | 0 | 0 | 112.4 | R96 E97 I98 R102 | R96-E100 PolarHBondContact O-N 2.8Å; E97-E100 PolarHBondContact O-N 2.98Å; E97-E100 VanDerWaalsContact O-N 3.09Å; I98-E100 VanDerWaalsContact C-N 3.28Å; I98-E100 PolarHBondContact O-N 3.46Å; E100-R102 IonicContact OE2-NH1 2.77Å; E100-R102 PolarHBondContact OE2-NH1 3.26Å |
| 101 | H | 94.7 | Very high | 94.4 | Very high | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.398 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 12.8 | 174.6 | -64.7 | -69.5 | 0 | 0 | 0 | 114.5 | F74 E97 I98 W99 A103 D104 | F74-H101 HydrophobicContact CD2-CB 4.38Å; E97-H101 PolarHBondContact O-CD2 3.24Å; E97-H101 VanDerWaalsContact O-CD2 3.31Å; I98-H101 CarbonylContact O-C 3.54Å; I98-H101 WeakPolarHBondContact O-CA 3.33Å; I98-H101 WeakPolarHBondContact O-CB 3.45Å; I98-H101 PolarHBondContact O-N 3.49Å; W99-H101 PolarHBondContact O-N 3.17Å; H101-A103 PolarHBondContact O-N 3.18Å; H101-D104 IonicContact ND1-OD2 3.79Å; H101-D104 WeakPolarHBondContact O-CB 3.34Å; H101-D104 PolarHBondContact O-N 3.35Å |
| 102 | R | 95.3 | Very high | 94.6 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -53.1 | -23.4 | -179.9 | 66.5 | -169.3 | 173.3 | -79.8 | 0 | 115.4 | W99 E100 D104 A105 L111 | W99-R102 HydrophobicContact CE3-CB 4.02Å; W99-R102 VanDerWaalsContact CH2-CD 3.46Å; W99-R102 HydrophobicContact CZ3-CB 4.06Å; W99-R102 HydrophobicContact CZ3-CG 4.46Å; W99-R102 VanDerWaalsContact O-CB 3.3Å; W99-R102 WeakPolarHBondContact O-CB 3.49Å; W99-R102 WeakPolarHBondContact O-CD 3.37Å; W99-R102 VanDerWaalsContact O-CG 3.29Å; W99-R102 WeakPolarHBondContact O-CG 3.38Å; W99-R102 PolarHBondContact O-N 2.9Å; W99-R102 VanDerWaalsContact O-N 3.17Å; W99-R102 PolarHBondContact O-NH1 3.26Å; E100-R102 IonicContact OE2-NH1 2.77Å; E100-R102 PolarHBondContact OE2-NH1 3.26Å; R102-D104 PolarHBondContact O-N 3.26Å; R102-A105 WeakPolarHBondContact O-CB 3.37Å; R102-A105 PolarHBondContact O-N 2.91Å; R102-L111 HydrophobicContact CB-CD2 4.11Å |
| 103 | A | 93.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 79% | 0.793 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -68 | -16.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H101 A105 | H101-A103 PolarHBondContact O-N 3.18Å; A103-A105 VanDerWaalsContact C-N 3.31Å |
| 104 | D | 92.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -81.4 | -9 | 175.9 | -68 | -40.5 | 0 | 0 | 0 | 112.7 | K70 A71 F74 H101 R102 A106 | K70-D104 HydrophobicContact CB-CB 4.23Å; K70-D104 WeakPolarHBondContact CD-OD1 3.44Å; A71-D104 WeakPolarHBondContact CA-O 3.27Å; A71-D104 VanDerWaalsContact CB-O 3.26Å; A71-D104 WeakPolarHBondContact CB-O 3.24Å; F74-D104 HydrophobicContact CB-CB 4.31Å; H101-D104 IonicContact ND1-OD2 3.79Å; H101-D104 WeakPolarHBondContact O-CB 3.34Å; H101-D104 PolarHBondContact O-N 3.35Å; R102-D104 PolarHBondContact O-N 3.26Å; D104-A106 PolarHBondContact O-N 3.21Å |
| 105 | A | 91.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | trans | -65.2 | 126.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F74 R102 A103 L111 | F74-A105 HydrophobicContact CD1-CB 3.78Å; F74-A105 HydrophobicContact CE1-CB 3.56Å; F74-A105 HydrophobicContact CZ-CB 4.22Å; R102-A105 WeakPolarHBondContact O-CB 3.37Å; R102-A105 PolarHBondContact O-N 2.91Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A105-L111 HydrophobicContact CB-CD1 3.83Å; A105-L111 HydrophobicContact CB-CD2 3.96Å; A105-L111 HydrophobicContact CB-CG 3.73Å | ||
| 106 | A | 89.9 | Confident | 95.3 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | trans | -108.7 | 0.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A71 D104 N140 L146 | A71-A106 HydrophobicContact CB-CB 3.57Å; D104-A106 PolarHBondContact O-N 3.21Å; A106-N140 PolarHBondContact O-N 2.96Å; A106-L146 HydrophobicContact CB-CD1 4.08Å; A106-L146 HydrophobicContact CB-CD2 3.76Å | ||
| 107 | S | 92.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -149.8 | 161.4 | 169.3 | 85.1 | 0 | 0 | 0 | 0 | 110.6 | P110 D155 | S107-P110 WeakPolarHBondContact O-CD 3.47Å; S107-P110 WeakPolarHBondContact OG-CD 3.47Å; S107-D155 WeakPolarHBondContact CB-OD2 3.36Å; S107-D155 PolarHBondContact OG-OD2 3.11Å |
| 108 | G | 94 | Very high | 95.5 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.8 | -30.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L111 L112 A134 T137 | G108-L111 WeakPolarHBondContact O-CB 3.49Å; G108-L111 PolarHBondContact O-N 3.35Å; G108-L111 VanDerWaalsContact O-N 3.16Å; G108-L112 PolarHBondContact O-N 3.04Å; G108-A134 VanDerWaalsContact CA-O 3.26Å; G108-A134 WeakPolarHBondContact CA-O 3.19Å; G108-A134 VanDerWaalsContact O-CB 3.27Å; G108-A134 WeakPolarHBondContact O-CB 3.39Å; G108-T137 WeakPolarHBondContact CA-O 3.36Å; G108-T137 PolarHBondContact N-O 3.27Å |
| 109 | L | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -49.6 | -174.8 | 172.6 | 67.3 | 0 | 0 | 0 | 113.5 | L111 L112 Q113 D155 L158 M159 L162 | L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 PolarHBondContact O-N 3.06Å; L109-L112 WeakPolarHBondContact O-CB 3.27Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-L112 VanDerWaalsContact O-N 3.1Å; L109-Q113 HydrophobicContact CD1-CG 4.1Å; L109-Q113 HydrophobicContact CG-CG 4.4Å; L109-Q113 WeakPolarHBondContact O-CG 3.48Å; L109-Q113 PolarHBondContact O-N 2.97Å; L109-D155 HydrophobicContact CB-CB 4.03Å; L109-D155 HydrophobicContact CD2-CB 4.41Å; L109-L158 HydrophobicContact CD1-CB 3.74Å; L109-L158 HydrophobicContact CD2-CB 4.11Å; L109-L158 HydrophobicContact CD2-CD1 3.72Å; L109-M159 HydrophobicContact CB-CG 4.1Å; L109-M159 HydrophobicContact CB-SD 4.35Å; L109-M159 HydrophobicContact CD1-CG 3.96Å; L109-L162 HydrophobicContact CD1-CD1 3.99Å |
| 110 | P | 95.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.045 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.8 | -43.2 | 173.4 | -32.1 | 37.9 | 0 | 0 | 0 | 113.7 | F74 A75 S78 S107 L112 Q113 L114 | F74-P110 HydrophobicContact CD1-CB 3.76Å; F74-P110 HydrophobicContact CE1-CB 3.7Å; A75-P110 HydrophobicContact CB-CB 4.31Å; A75-P110 HydrophobicContact CB-CG 3.66Å; S78-P110 WeakPolarHBondContact CB-O 3.36Å; S78-P110 PolarHBondContact OG-O 2.88Å; S107-P110 WeakPolarHBondContact O-CD 3.47Å; S107-P110 WeakPolarHBondContact OG-CD 3.47Å; P110-L112 VanDerWaalsContact C-N 3.34Å; P110-L112 PolarHBondContact O-N 2.67Å; P110-Q113 PolarHBondContact O-N 3.29Å; P110-L114 WeakPolarHBondContact O-CB 3.41Å; P110-L114 PolarHBondContact O-N 3.47Å |
| 111 | L | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 178 | -69.6 | 163.5 | 0 | 0 | 0 | 110.5 | F74 R102 A105 G108 L109 Q113 L114 G115 S130 L133 A134 T137 | F74-L111 HydrophobicContact CE1-CD2 4.08Å; F74-L111 HydrophobicContact CE1-CG 4.3Å; F74-L111 HydrophobicContact CZ-CD2 3.9Å; R102-L111 HydrophobicContact CB-CD2 4.11Å; A105-L111 HydrophobicContact CB-CD1 3.83Å; A105-L111 HydrophobicContact CB-CD2 3.96Å; A105-L111 HydrophobicContact CB-CG 3.73Å; G108-L111 WeakPolarHBondContact O-CB 3.49Å; G108-L111 PolarHBondContact O-N 3.35Å; G108-L111 VanDerWaalsContact O-N 3.16Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 PolarHBondContact O-N 3.06Å; L111-Q113 PolarHBondContact O-N 3.4Å; L111-L114 PolarHBondContact O-N 2.83Å; L111-G115 PolarHBondContact O-N 3.01Å; L111-S130 PolarHBondContact O-OG 3.4Å; L111-L133 HydrophobicContact CD1-CD2 4.12Å; L111-L133 HydrophobicContact CD1-CG 3.88Å; L111-L133 HydrophobicContact CD2-CD2 4.01Å; L111-A134 HydrophobicContact CB-CB 3.66Å; L111-T137 HydrophobicContact CD1-CG2 4.14Å; L111-T137 WeakPolarHBondContact CD1-OG1 3.39Å |
| 112 | L | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.2 | -169.8 | 72.6 | 0 | 0 | 0 | 111.9 | G108 L109 P110 L114 G115 V116 I131 A134 M159 L162 L163 | G108-L112 PolarHBondContact O-N 3.04Å; L109-L112 WeakPolarHBondContact O-CB 3.27Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-L112 VanDerWaalsContact O-N 3.1Å; P110-L112 VanDerWaalsContact C-N 3.34Å; P110-L112 PolarHBondContact O-N 2.67Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.3Å; L112-G115 PolarHBondContact O-N 3.08Å; L112-V116 WeakPolarHBondContact O-CG2 3.48Å; L112-V116 PolarHBondContact O-N 3.31Å; L112-I131 HydrophobicContact CD1-CB 4.28Å; L112-I131 HydrophobicContact CD1-CG1 4.01Å; L112-I131 HydrophobicContact CD1-CG2 3.88Å; L112-A134 HydrophobicContact CB-CB 3.86Å; L112-A134 HydrophobicContact CD1-CB 4.38Å; L112-M159 HydrophobicContact CB-CG 4.46Å; L112-M159 VanDerWaalsContact CD2-CA 3.48Å; L112-M159 HydrophobicContact CD2-CB 3.73Å; L112-M159 HydrophobicContact CD2-CG 3.71Å; L112-M159 WeakPolarHBondContact CD2-O 3.49Å; L112-L162 HydrophobicContact CD2-CB 3.79Å; L112-L162 HydrophobicContact CD2-CD1 4.09Å; L112-L163 HydrophobicContact CD1-CD2 3.87Å; L112-L163 HydrophobicContact CD1-CG 4.39Å; L112-L163 HydrophobicContact CD2-CG 4.22Å |
| 113 | Q | 97.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 176.8 | -69.5 | 171.6 | -21.6 | 0 | 0 | 111.4 | L82 L109 P110 L111 A117 L162 | L82-Q113 HydrophobicContact CB-CB 4.21Å; L82-Q113 HydrophobicContact CD2-CB 4.26Å; L82-Q113 HydrophobicContact CD2-CG 3.95Å; L109-Q113 HydrophobicContact CD1-CG 4.1Å; L109-Q113 HydrophobicContact CG-CG 4.4Å; L109-Q113 WeakPolarHBondContact O-CG 3.48Å; L109-Q113 PolarHBondContact O-N 2.97Å; P110-Q113 PolarHBondContact O-N 3.29Å; L111-Q113 PolarHBondContact O-N 3.4Å; Q113-A117 WeakPolarHBondContact O-CB 3.47Å; Q113-A117 PolarHBondContact O-N 3.38Å; Q113-L162 HydrophobicContact CG-CD1 3.92Å |
| 114 | L | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.8 | -179.8 | 62.5 | 0 | 0 | 0 | 111.9 | F74 L95 I98 W99 P110 L111 L112 V116 A117 L118 | F74-L114 HydrophobicContact CE2-CD2 4.39Å; F74-L114 HydrophobicContact CZ-CD2 4Å; L95-L114 HydrophobicContact CD2-CD1 4.17Å; I98-L114 HydrophobicContact CB-CD1 4.21Å; I98-L114 HydrophobicContact CG2-CD1 3.98Å; I98-L114 HydrophobicContact CG2-CD2 3.87Å; W99-L114 HydrophobicContact CB-CD2 4.31Å; W99-L114 HydrophobicContact CE3-CD2 4.11Å; P110-L114 WeakPolarHBondContact O-CB 3.41Å; P110-L114 PolarHBondContact O-N 3.47Å; L111-L114 PolarHBondContact O-N 2.83Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.3Å; L114-V116 PolarHBondContact O-N 2.63Å; L114-A117 WeakPolarHBondContact O-CB 3.22Å; L114-A117 PolarHBondContact O-N 2.7Å; L114-L118 HydrophobicContact CD1-CD1 4.26Å; L114-L118 HydrophobicContact CD1-CG 4.36Å; L114-L118 HydrophobicContact CG-CD1 3.93Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 2.8Å |
| 115 | G | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L111 L112 K119 G127 S130 | L111-G115 PolarHBondContact O-N 3.01Å; L112-G115 PolarHBondContact O-N 3.08Å; G115-K119 WeakPolarHBondContact O-CB 3.21Å; G115-K119 PolarHBondContact O-N 3.4Å; G115-G127 WeakPolarHBondContact O-CA 3.35Å; G115-S130 PolarHBondContact N-OG 3.48Å |
| 116 | V | 97.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 173 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L82 L112 L114 K119 T120 L168 | L82-V116 HydrophobicContact CD1-CB 3.99Å; L82-V116 HydrophobicContact CD1-CG1 3.57Å; L112-V116 WeakPolarHBondContact O-CG2 3.48Å; L112-V116 PolarHBondContact O-N 3.31Å; L114-V116 PolarHBondContact O-N 2.63Å; V116-K119 PolarHBondContact O-N 3.47Å; V116-T120 VanDerWaalsContact O-CB 3.3Å; V116-T120 WeakPolarHBondContact O-CB 3.31Å; V116-T120 PolarHBondContact O-N 3.23Å; V116-T120 PolarHBondContact O-OG1 3.17Å; V116-L168 HydrophobicContact CG2-CD1 4.1Å |
| 117 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A81 A85 L95 Q113 L114 K119 T120 M121 | A81-A117 HydrophobicContact CB-CB 4.09Å; A85-A117 HydrophobicContact CB-CB 3.82Å; L95-A117 HydrophobicContact CD1-CB 4.48Å; L95-A117 HydrophobicContact CD2-CB 3.89Å; Q113-A117 WeakPolarHBondContact O-CB 3.47Å; Q113-A117 PolarHBondContact O-N 3.38Å; L114-A117 WeakPolarHBondContact O-CB 3.22Å; L114-A117 PolarHBondContact O-N 2.7Å; A117-K119 PolarHBondContact O-N 3.3Å; A117-T120 PolarHBondContact O-N 2.85Å; A117-M121 WeakPolarHBondContact O-CB 3.28Å; A117-M121 WeakPolarHBondContact O-CG 3.25Å; A117-M121 PolarHBondContact O-N 3.49Å |
| 118 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 176 | -78.8 | 162.5 | 0 | 0 | 0 | 111.5 | L92 L95 R96 W99 L114 M121 G122 D123 R126 | L92-L118 HydrophobicContact CD1-CD2 4.49Å; L95-L118 HydrophobicContact CB-CD2 3.66Å; L95-L118 HydrophobicContact CB-CG 4.24Å; R96-L118 HydrophobicContact CG-CD2 4.49Å; W99-L118 HydrophobicContact CB-CD1 4.5Å; L114-L118 HydrophobicContact CD1-CD1 4.26Å; L114-L118 HydrophobicContact CD1-CG 4.36Å; L114-L118 HydrophobicContact CG-CD1 3.93Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 2.8Å; L118-M121 PolarHBondContact O-N 3.39Å; L118-G122 PolarHBondContact O-N 2.87Å; L118-G122 VanDerWaalsContact O-N 3.13Å; L118-D123 HydrophobicContact CD2-CB 4.16Å; L118-D123 PolarHBondContact O-N 2.76Å; L118-R126 HydrophobicContact CD1-CB 3.84Å; L118-R126 HydrophobicContact CD2-CB 4.4Å |
| 119 | K | 95.4 | Very high | 95.6 | Very high | 81 Ų | 81 | 33 Ų | 33 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 178 | -170.1 | 166.2 | -177.6 | 158.2 | 0 | 111.8 | G115 V116 A117 M121 G122 E128 L168 | G115-K119 WeakPolarHBondContact O-CB 3.21Å; G115-K119 PolarHBondContact O-N 3.4Å; V116-K119 PolarHBondContact O-N 3.47Å; A117-K119 PolarHBondContact O-N 3.3Å; K119-M121 VanDerWaalsContact C-N 3.31Å; K119-M121 PolarHBondContact O-N 3.13Å; K119-G122 PolarHBondContact O-N 2.95Å; K119-E128 IonicContact NZ-OE1 3.63Å; K119-L168 HydrophobicContact CD-CD2 4.21Å |
| 120 | T | 94 | Very high | 95.7 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 32% | 0.319 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -34.3 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | A85 V116 A117 | A85-T120 HydrophobicContact CB-CG2 4.27Å; A85-T120 WeakPolarHBondContact O-CG2 3.26Å; V116-T120 VanDerWaalsContact O-CB 3.3Å; V116-T120 WeakPolarHBondContact O-CB 3.31Å; V116-T120 PolarHBondContact O-N 3.23Å; V116-T120 PolarHBondContact O-OG1 3.17Å; A117-T120 PolarHBondContact O-N 2.85Å |
| 121 | M | 94.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 32.8 Ų | 32.8 | 20% | 0.197 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.8 | 179.4 | -61.5 | -54.3 | -50.3 | 0 | 0 | 114.1 | A85 A90 L92 L95 A117 L118 K119 | A85-M121 HydrophobicContact CB-CG 3.85Å; A85-M121 HydrophobicContact CB-SD 4.01Å; A90-M121 HydrophobicContact CB-CG 4.03Å; A90-M121 HydrophobicContact CB-SD 4.21Å; A90-M121 VanDerWaalsContact O-CE 3.24Å; A90-M121 WeakPolarHBondContact O-CE 2.99Å; L92-M121 HydrophobicContact CD1-CB 3.88Å; L95-M121 HydrophobicContact CD1-CB 3.8Å; L95-M121 HydrophobicContact CD1-CG 3.58Å; A117-M121 WeakPolarHBondContact O-CB 3.28Å; A117-M121 WeakPolarHBondContact O-CG 3.25Å; A117-M121 PolarHBondContact O-N 3.49Å; L118-M121 PolarHBondContact O-N 3.39Å; K119-M121 VanDerWaalsContact C-N 3.31Å; K119-M121 PolarHBondContact O-N 3.13Å |
| 122 | G | 89.3 | Confident | 95.5 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 64% | 0.639 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.7 | 12.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L118 K119 | L118-G122 PolarHBondContact O-N 2.87Å; L118-G122 VanDerWaalsContact O-N 3.13Å; K119-G122 PolarHBondContact O-N 2.95Å |
| 123 | D | 93 | Very high | 95.4 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | trans | -108.7 | 75.9 | 172.5 | -164.4 | -29.4 | 0 | 0 | 0 | 110.6 | L92 R96 L118 T125 R126 G127 | L92-D123 HydrophobicContact CD1-CB 3.93Å; R96-D123 IonicContact CZ-OD2 3.09Å; R96-D123 IonicContact NE-OD2 3.85Å; R96-D123 PolarHBondContact NE-OD2 2.91Å; R96-D123 IonicContact NH2-OD2 2.81Å; R96-D123 PolarHBondContact NH2-OD2 3.25Å; R96-D123 VanDerWaalsContact NH2-OD2 3.09Å; L118-D123 HydrophobicContact CD2-CB 4.16Å; L118-D123 PolarHBondContact O-N 2.76Å; D123-T125 VanDerWaalsContact C-N 3.33Å; D123-T125 PolarHBondContact O-N 3.37Å; D123-R126 PolarHBondContact OD1-N 3.34Å; D123-R126 IonicContact OD1-NH1 3.4Å; D123-R126 IonicContact OD2-CZ 2.81Å; D123-R126 IonicContact OD2-NH1 3.49Å; D123-R126 PolarHBondContact OD2-NH1 3.05Å; D123-G127 PolarHBondContact O-N 2.94Å | ||
| 124 | A | 90.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.3 | -37.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G127 E128 | A124-G127 PolarHBondContact O-N 3.45Å; A124-E128 WeakPolarHBondContact O-CG 3.29Å; A124-E128 PolarHBondContact O-N 3.39Å |
| 125 | T | 94.4 | Very high | 95 | Very high | 93 Ų | 93 | 39.8 Ų | 39.8 | 57% | 0.571 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63 | -55.3 | -176.9 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | D123 G127 E128 E129 | D123-T125 VanDerWaalsContact C-N 3.33Å; D123-T125 PolarHBondContact O-N 3.37Å; T125-G127 VanDerWaalsContact C-N 3.25Å; T125-G127 PolarHBondContact O-N 3.31Å; T125-E128 PolarHBondContact O-N 3.41Å; T125-E129 WeakPolarHBondContact O-CG 3.26Å; T125-E129 PolarHBondContact O-N 3.41Å; T125-E129 VanDerWaalsContact O-N 3.1Å |
| 126 | R | 96.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 48 Ų | 48 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 175.7 | -68.5 | -177.9 | 176.5 | 81.5 | 4.8 | 111.6 | W99 L118 D123 E129 S130 | W99-R126 VanDerWaalsContact CD1-CD 3.5Å; W99-R126 HydrophobicContact CG-CG 4.48Å; L118-R126 HydrophobicContact CD1-CB 3.84Å; L118-R126 HydrophobicContact CD2-CB 4.4Å; D123-R126 PolarHBondContact OD1-N 3.34Å; D123-R126 IonicContact OD1-NH1 3.4Å; D123-R126 IonicContact OD2-CZ 2.81Å; D123-R126 IonicContact OD2-NH1 3.49Å; D123-R126 PolarHBondContact OD2-NH1 3.05Å; R126-E129 PolarHBondContact O-N 3.32Å; R126-S130 WeakPolarHBondContact O-CB 2.96Å; R126-S130 PolarHBondContact O-N 3.26Å |
| 127 | G | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G115 D123 A124 T125 S130 I131 | G115-G127 WeakPolarHBondContact O-CA 3.35Å; D123-G127 PolarHBondContact O-N 2.94Å; A124-G127 PolarHBondContact O-N 3.45Å; T125-G127 VanDerWaalsContact C-N 3.25Å; T125-G127 PolarHBondContact O-N 3.31Å; G127-S130 PolarHBondContact O-N 3.07Å; G127-I131 VanDerWaalsContact O-CD1 3.31Å; G127-I131 WeakPolarHBondContact O-CD1 3.47Å; G127-I131 WeakPolarHBondContact O-CG1 3.42Å; G127-I131 PolarHBondContact O-N 3.06Å |
| 128 | E | 94.8 | Very high | 94 | Very high | 109 Ų | 109 | 54.4 Ų | 54.4 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 179.3 | -74.2 | 174.3 | -178.2 | 0 | 0 | 112.8 | K119 A124 T125 S130 I131 A132 | K119-E128 IonicContact NZ-OE1 3.63Å; A124-E128 WeakPolarHBondContact O-CG 3.29Å; A124-E128 PolarHBondContact O-N 3.39Å; T125-E128 PolarHBondContact O-N 3.41Å; E128-S130 VanDerWaalsContact C-N 3.3Å; E128-S130 PolarHBondContact O-N 2.82Å; E128-I131 PolarHBondContact O-N 3.34Å; E128-A132 WeakPolarHBondContact O-CB 3.47Å; E128-A132 PolarHBondContact O-N 3.37Å |
| 129 | E | 96.2 | Very high | 93.6 | Very high | 102 Ų | 102 | 55.9 Ų | 55.9 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 173.6 | -71.1 | 174.4 | -179.5 | 0 | 0 | 111.9 | W99 T125 R126 A132 L133 | W99-E129 HydrophobicContact CH2-CB 3.9Å; W99-E129 HydrophobicContact CZ2-CB 3.82Å; W99-E129 WeakPolarHBondContact CZ2-OE2 3.19Å; T125-E129 WeakPolarHBondContact O-CG 3.26Å; T125-E129 PolarHBondContact O-N 3.41Å; T125-E129 VanDerWaalsContact O-N 3.1Å; R126-E129 PolarHBondContact O-N 3.32Å; E129-A132 PolarHBondContact O-N 2.9Å; E129-L133 WeakPolarHBondContact O-CB 3.33Å; E129-L133 PolarHBondContact O-N 3.27Å |
| 130 | S | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 179.5 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | W99 L111 G115 R126 G127 E128 L133 A134 | W99-S130 VanDerWaalsContact CZ3-CA 3.46Å; L111-S130 PolarHBondContact O-OG 3.4Å; G115-S130 PolarHBondContact N-OG 3.48Å; R126-S130 WeakPolarHBondContact O-CB 2.96Å; R126-S130 PolarHBondContact O-N 3.26Å; G127-S130 PolarHBondContact O-N 3.07Å; E128-S130 VanDerWaalsContact C-N 3.3Å; E128-S130 PolarHBondContact O-N 2.82Å; S130-L133 PolarHBondContact O-N 3.41Å; S130-A134 WeakPolarHBondContact O-CB 3.41Å; S130-A134 PolarHBondContact O-N 2.89Å |
| 131 | I | 96 | Very high | 91.3 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 174.5 | -66.6 | 158.4 | 0 | 0 | 0 | 110.9 | L112 G127 E128 L133 A134 L135 L163 L168 L169 | L112-I131 HydrophobicContact CD1-CB 4.28Å; L112-I131 HydrophobicContact CD1-CG1 4.01Å; L112-I131 HydrophobicContact CD1-CG2 3.88Å; G127-I131 VanDerWaalsContact O-CD1 3.31Å; G127-I131 WeakPolarHBondContact O-CD1 3.47Å; G127-I131 WeakPolarHBondContact O-CG1 3.42Å; G127-I131 PolarHBondContact O-N 3.06Å; E128-I131 PolarHBondContact O-N 3.34Å; I131-L133 VanDerWaalsContact C-N 3.32Å; I131-L133 PolarHBondContact O-N 2.96Å; I131-A134 WeakPolarHBondContact O-CB 3.11Å; I131-A134 PolarHBondContact O-N 3.17Å; I131-L135 PolarHBondContact O-N 2.84Å; I131-L163 HydrophobicContact CG2-CD2 4.39Å; I131-L168 HydrophobicContact CD1-CD1 3.84Å; I131-L169 HydrophobicContact CG2-CD1 3.53Å; I131-L169 HydrophobicContact CG2-CG 4.45Å |
| 132 | A | 93.9 | Very high | 89.6 | Confident | 45 Ų | 45 | 64 Ų | 64 | 37% | 0.372 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.6 | -33.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E128 E129 | E128-A132 WeakPolarHBondContact O-CB 3.47Å; E128-A132 PolarHBondContact O-N 3.37Å; E129-A132 PolarHBondContact O-N 2.9Å |
| 133 | L | 95.6 | Very high | 88 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.6 | -42.2 | 173.6 | -174.4 | 60 | 0 | 0 | 0 | 111.2 | L111 E129 S130 I131 L135 K136 T137 | L111-L133 HydrophobicContact CD1-CD2 4.12Å; L111-L133 HydrophobicContact CD1-CG 3.88Å; L111-L133 HydrophobicContact CD2-CD2 4.01Å; E129-L133 WeakPolarHBondContact O-CB 3.33Å; E129-L133 PolarHBondContact O-N 3.27Å; S130-L133 PolarHBondContact O-N 3.41Å; I131-L133 VanDerWaalsContact C-N 3.32Å; I131-L133 PolarHBondContact O-N 2.96Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L133-L135 PolarHBondContact O-N 3Å; L133-K136 PolarHBondContact O-N 2.81Å; L133-T137 PolarHBondContact O-N 3.49Å; L133-T137 PolarHBondContact O-OG1 2.92Å; L133-T137 VanDerWaalsContact O-OG1 3.07Å |
| 134 | A | 95.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -52.3 | -46.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G108 L111 L112 S130 I131 K136 T137 | G108-A134 VanDerWaalsContact CA-O 3.26Å; G108-A134 WeakPolarHBondContact CA-O 3.19Å; G108-A134 VanDerWaalsContact O-CB 3.27Å; G108-A134 WeakPolarHBondContact O-CB 3.39Å; L111-A134 HydrophobicContact CB-CB 3.66Å; L112-A134 HydrophobicContact CB-CB 3.86Å; L112-A134 HydrophobicContact CD1-CB 4.38Å; S130-A134 WeakPolarHBondContact O-CB 3.41Å; S130-A134 PolarHBondContact O-N 2.89Å; I131-A134 WeakPolarHBondContact O-CB 3.11Å; I131-A134 PolarHBondContact O-N 3.17Å; A134-K136 PolarHBondContact O-N 2.66Å; A134-T137 PolarHBondContact O-N 3.35Å |
| 135 | L | 91.5 | Very high | 85.8 | Confident | 47 Ų | 47 | 74.1 Ų | 74.1 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.8 | 179.8 | -66.5 | 175 | 0 | 0 | 0 | 113.9 | I131 L133 M159 L163 L169 E172 L176 | I131-L135 PolarHBondContact O-N 2.84Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L133-L135 PolarHBondContact O-N 3Å; L135-M159 HydrophobicContact CD2-CE 3.94Å; L135-L163 HydrophobicContact CD2-CD1 4.28Å; L135-L169 HydrophobicContact CD1-CD1 3.49Å; L135-L169 VanDerWaalsContact CD1-CD1 3.49Å; L135-E172 HydrophobicContact CD1-CB 3.96Å; L135-E172 HydrophobicContact CD1-CG 3.72Å; L135-L176 HydrophobicContact CD2-CD1 3.89Å |
| 136 | K | 92.1 | Very high | 84.9 | Confident | 171 Ų | 171 | 70.2 Ų | 70.2 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -2 | -179.2 | -62.2 | 176.8 | -174.6 | 176.4 | 0 | 113 | L133 A134 P138 | L133-K136 PolarHBondContact O-N 2.81Å; A134-K136 PolarHBondContact O-N 2.66Å; K136-P138 VanDerWaalsContact O-CD 3.28Å; K136-P138 WeakPolarHBondContact O-CD 3.43Å |
| 137 | T | 92.2 | Very high | 83.8 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | trans | -104.7 | 99.5 | -176.1 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | G108 L111 L133 A134 | G108-T137 WeakPolarHBondContact CA-O 3.36Å; G108-T137 PolarHBondContact N-O 3.27Å; L111-T137 HydrophobicContact CD1-CG2 4.14Å; L111-T137 WeakPolarHBondContact CD1-OG1 3.39Å; L133-T137 PolarHBondContact O-N 3.49Å; L133-T137 PolarHBondContact O-OG1 2.92Å; L133-T137 VanDerWaalsContact O-OG1 3.07Å; A134-T137 PolarHBondContact O-N 3.35Å | ||
| 138 | P | 87.4 | Confident | 83 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | trans | -67.6 | 153.7 | 174.5 | 29.5 | -34.5 | 0 | 0 | 0 | 110.8 | K136 | K136-P138 VanDerWaalsContact O-CD 3.28Å; K136-P138 WeakPolarHBondContact O-CD 3.43Å | ||
| 139 | R | 87.9 | Confident | 82.1 | Confident | 31 Ų | 31 | 66 Ų | 66 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | trans | -74.2 | 132.5 | 168.9 | -174 | 174.5 | 177.7 | 96.7 | 9.1 | 109.6 | D141 D148 G150 D155 | R139-D141 WeakPolarHBondContact CD-OD2 3.41Å; R139-D141 IonicContact CZ-OD1 3.59Å; R139-D141 IonicContact CZ-OD2 3.24Å; R139-D141 IonicContact NE-OD1 3.3Å; R139-D141 PolarHBondContact NE-OD1 3.29Å; R139-D141 IonicContact NE-OD2 3.8Å; R139-D141 PolarHBondContact NE-OD2 2.8Å; R139-D141 IonicContact NH2-OD1 3.88Å; R139-D141 PolarHBondContact NH2-OD1 2.7Å; R139-D148 IonicContact CZ-OD1 2.83Å; R139-D148 IonicContact CZ-OD2 3.68Å; R139-D148 IonicContact NH1-OD1 3.9Å; R139-D148 IonicContact NH1-OD2 3.92Å; R139-D148 PolarHBondContact NH1-OD2 2.82Å; R139-D148 IonicContact NH2-OD1 3.72Å; R139-D148 PolarHBondContact NH2-OD1 3.07Å; R139-D148 IonicContact NH2-OD2 2.69Å; R139-G150 PolarHBondContact NH2-O 2.66Å; R139-D155 IonicContact CZ-OD2 2.91Å; R139-D155 IonicContact NH1-OD1 2.87Å; R139-D155 IonicContact NH1-OD2 2.9Å; R139-D155 PolarHBondContact NH1-OD2 3.12Å | ||
| 140 | N | 75 | Confident | 81.5 | Confident | 96 Ų | 96 | 62 Ų | 62 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | trans | -111.6 | 87.7 | -179.5 | -171 | -6.6 | 0 | 0 | 0 | 111.4 | A106 | A106-N140 PolarHBondContact O-N 2.96Š| ||
| 141 | D | 67.8 | Low | 80.9 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | trans | -96.5 | -14.1 | -179.6 | -67.9 | -36.4 | 0 | 0 | 0 | 113.6 | R139 L143 P152 | R139-D141 WeakPolarHBondContact CD-OD2 3.41Å; R139-D141 IonicContact CZ-OD1 3.59Å; R139-D141 IonicContact CZ-OD2 3.24Å; R139-D141 IonicContact NE-OD1 3.3Å; R139-D141 PolarHBondContact NE-OD1 3.29Å; R139-D141 IonicContact NE-OD2 3.8Å; R139-D141 PolarHBondContact NE-OD2 2.8Å; R139-D141 IonicContact NH2-OD1 3.88Å; R139-D141 PolarHBondContact NH2-OD1 2.7Å; D141-L143 PolarHBondContact O-N 3.3Å; D141-P152 WeakPolarHBondContact OD2-CD 3.36Å | ||
| 142 | E | 58.2 | Low | 80.6 | Confident | 186 Ų | 186 | 65 Ų | 65 | 87% | 0.869 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -65 | -17.1 | -169.3 | -75.4 | -173.8 | 161.8 | 0 | 0 | 114.8 | ||
| 143 | L | 56.1 | Low | 80.4 | Confident | 149 Ų | 149 | 63.1 Ų | 63.1 | 78% | 0.78 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -138.3 | -10.5 | -174.8 | -70.6 | 169.2 | 0 | 0 | 0 | 115 | D141 | D141-L143 PolarHBondContact O-N 3.3Š|
| 144 | K | 67.2 | Low | 80.2 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | trans | -150.4 | 115.1 | -172.7 | -66.2 | -170.7 | -178.2 | -177 | 0 | 111.6 | D67 N68 L146 | D67-K144 HydrophobicContact CB-CB 3.85Å; D67-K144 HydrophobicContact CB-CG 4.16Å; D67-K144 WeakPolarHBondContact OD2-CA 3.38Å; N68-K144 HydrophobicContact CB-CD 4.3Å; K144-L146 PolarHBondContact O-N 3.44Å | ||
| 145 | W | 70 | Confident | 80.1 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 28% | 0.284 | 31% | 0.307 | S | S | . | . | trans | -74.7 | 124 | 173.8 | -173 | 48.9 | 0 | 0 | 0 | 111.3 | Y65 D67 G147 P310 | Y65-W145 AromaticContact CD2-CE3 3.92Å; Y65-W145 HydrophobicContact CD2-CE3 3.92Å; Y65-W145 AromaticContact CD2-CH2 3.27Å; Y65-W145 HydrophobicContact CD2-CH2 3.27Å; Y65-W145 HydrophobicContact CD2-CZ2 4.14Å; Y65-W145 AromaticContact CD2-CZ3 3.16Å; Y65-W145 HydrophobicContact CD2-CZ3 3.16Å; Y65-W145 AromaticContact CE2-CH2 3.71Å; Y65-W145 HydrophobicContact CE2-CH2 3.71Å; Y65-W145 HydrophobicContact CE2-CZ2 4.26Å; Y65-W145 HydrophobicContact CE2-CZ3 4.06Å; Y65-W145 HydrophobicContact CG-CH2 4.02Å; Y65-W145 AromaticContact CG-CZ3 3.74Å; Y65-W145 HydrophobicContact CG-CZ3 3.74Å; Y65-W145 WeakPolarHBondContact O-CZ3 3.46Å; D67-W145 PolarHBondContact N-O 2.8Å; D67-W145 PolarHBondContact OD2-N 3.15Å; W145-G147 VanDerWaalsContact C-N 3.3Å; W145-G147 PolarHBondContact O-N 3.04Å; W145-P310 HydrophobicContact CE3-CG 4.4Å; W145-P310 HydrophobicContact CH2-CG 3.81Å; W145-P310 HydrophobicContact CZ3-CG 3.43Å; W145-P310 VanDerWaalsContact CZ3-CG 3.43Å | ||
| 146 | L | 76.5 | Confident | 80.1 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | trans | -81.7 | -4.9 | -178.7 | -63.4 | 177.8 | 0 | 0 | 0 | 113.8 | N68 A71 S72 A106 K144 D148 | N68-L146 HydrophobicContact CB-CD2 4.18Å; A71-L146 HydrophobicContact CB-CD2 3.82Å; S72-L146 PolarHBondContact OG-O 3.14Å; A106-L146 HydrophobicContact CB-CD1 4.08Å; A106-L146 HydrophobicContact CB-CD2 3.76Å; K144-L146 PolarHBondContact O-N 3.44Å; L146-D148 PolarHBondContact O-N 3.3Å; L146-D148 VanDerWaalsContact O-N 3.16Å | ||
| 147 | G | 72.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 63.7 | 19.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y65 W145 | Y65-G147 VanDerWaalsContact CE2-CA 3.43Å; Y65-G147 WeakPolarHBondContact CE2-O 3.16Å; Y65-G147 PolarHBondContact OH-O 3.31Å; W145-G147 VanDerWaalsContact C-N 3.3Å; W145-G147 PolarHBondContact O-N 3.04Å |
| 148 | D | 78 | Confident | 80.2 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -108.9 | 7.4 | -177 | 74.4 | -31.3 | 0 | 0 | 0 | 113.4 | R139 L146 G150 R154 | R139-D148 IonicContact CZ-OD1 2.83Å; R139-D148 IonicContact CZ-OD2 3.68Å; R139-D148 IonicContact NH1-OD1 3.9Å; R139-D148 IonicContact NH1-OD2 3.92Å; R139-D148 PolarHBondContact NH1-OD2 2.82Å; R139-D148 IonicContact NH2-OD1 3.72Å; R139-D148 PolarHBondContact NH2-OD1 3.07Å; R139-D148 IonicContact NH2-OD2 2.69Å; L146-D148 PolarHBondContact O-N 3.3Å; L146-D148 VanDerWaalsContact O-N 3.16Å; D148-G150 PolarHBondContact O-N 3.04Å; D148-G150 VanDerWaalsContact O-N 3.09Å; D148-G150 PolarHBondContact OD1-N 2.93Å; D148-R154 IonicContact OD2-NH1 3.4Å; D148-R154 PolarHBondContact OD2-NH1 3.29Å; D148-R154 VanDerWaalsContact OD2-NH1 3.11Å |
| 149 | Y | 77.3 | Confident | 80.5 | Confident | 77 Ų | 77 | 47.1 Ų | 47.1 | 30% | 0.302 | 24% | 0.235 | S | C | . | . | trans | 52 | 26.8 | -172 | -68.4 | -92.4 | 0 | 0 | 0 | 113.1 | W20 D311 | W20-Y149 AromaticContact CE2-CD2 3.76Å; W20-Y149 HydrophobicContact CH2-CD2 4.35Å; W20-Y149 AromaticContact CZ2-CD2 3.47Å; W20-Y149 HydrophobicContact CZ2-CD2 3.47Å; W20-Y149 VanDerWaalsContact CZ2-CD2 3.47Å; W20-Y149 AromaticContact CZ2-CE2 3.88Å; W20-Y149 HydrophobicContact CZ2-CE2 3.88Å; W20-Y149 HydrophobicContact CZ2-CG 4.35Å; W20-Y149 AromaticContact NE1-CD2 3.88Å; Y149-D311 WeakPolarHBondContact CE1-OD2 3.29Å; Y149-D311 PolarHBondContact OH-OD2 3.29Å | ||
| 150 | G | 82.3 | Confident | 80.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | trans | -83 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R139 D148 | R139-G150 PolarHBondContact NH2-O 2.66Å; D148-G150 PolarHBondContact O-N 3.04Å; D148-G150 VanDerWaalsContact O-N 3.09Å; D148-G150 PolarHBondContact OD1-N 2.93Å | ||
| 151 | S | 86.6 | Confident | 81.6 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | trans | -145.4 | 162.2 | 170.3 | 73.6 | 0 | 0 | 0 | 0 | 109.2 | L153 R154 D155 E194 | S151-L153 PolarHBondContact O-N 2.87Å; S151-R154 PolarHBondContact O-N 3.34Å; S151-R154 PolarHBondContact OG-N 3.16Å; S151-R154 VanDerWaalsContact OG-N 3.12Å; S151-D155 PolarHBondContact O-N 3.28Å; S151-E194 WeakPolarHBondContact CB-OE1 3.45Å; S151-E194 WeakPolarHBondContact OG-CG 3.36Å; S151-E194 PolarHBondContact OG-OE1 3.38Å | ||
| 152 | P | 88.4 | Confident | 82.8 | Confident | 54 Ų | 54 | 39 Ų | 39 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.1 | -37.5 | 175.3 | -25.8 | 36.2 | 0 | 0 | 0 | 112.3 | D141 N156 | D141-P152 WeakPolarHBondContact OD2-CD 3.36Å; P152-N156 VanDerWaalsContact O-CB 3.32Å; P152-N156 WeakPolarHBondContact O-CB 3.16Å; P152-N156 VanDerWaalsContact O-CG 3.23Å; P152-N156 PolarHBondContact O-N 2.88Å; P152-N156 PolarHBondContact O-ND2 3.42Å |
| 153 | L | 90 | Very high | 84.4 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -49 | 177.5 | -179 | 110.3 | 0 | 0 | 0 | 111.6 | S151 A157 Q183 A184 L190 E194 L198 | S151-L153 PolarHBondContact O-N 2.87Å; L153-A157 WeakPolarHBondContact O-CB 3.09Å; L153-A157 PolarHBondContact O-N 3.48Å; L153-Q183 HydrophobicContact CD1-CB 3.58Å; L153-A184 HydrophobicContact CD1-CB 3.91Å; L153-A184 VanDerWaalsContact CD1-N 3.34Å; L153-L190 HydrophobicContact CD2-CD2 3.66Å; L153-E194 HydrophobicContact CD2-CB 3.52Å; L153-E194 HydrophobicContact CD2-CG 3.58Å; L153-L198 HydrophobicContact CD2-CD1 3.97Å; L153-L198 HydrophobicContact CD2-CG 4.2Å |
| 154 | R | 91.4 | Very high | 86 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 5% | 0.045 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 176.3 | 173.2 | -141.7 | 170.6 | -142 | 19.5 | 111.1 | D148 S151 A157 L158 E194 A197 | D148-R154 IonicContact OD2-NH1 3.4Å; D148-R154 PolarHBondContact OD2-NH1 3.29Å; D148-R154 VanDerWaalsContact OD2-NH1 3.11Å; S151-R154 PolarHBondContact O-N 3.34Å; S151-R154 PolarHBondContact OG-N 3.16Å; S151-R154 VanDerWaalsContact OG-N 3.12Å; R154-A157 PolarHBondContact O-N 2.96Å; R154-L158 HydrophobicContact CG-CD1 4.06Å; R154-L158 WeakPolarHBondContact O-CG 3.4Å; R154-L158 PolarHBondContact O-N 3.38Å; R154-E194 HydrophobicContact CB-CG 4.01Å; R154-A197 HydrophobicContact CB-CB 4.46Å; R154-A197 HydrophobicContact CG-CB 4.06Å |
| 155 | D | 92.8 | Very high | 87 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | -175.8 | -77.8 | 14.9 | 0 | 0 | 0 | 110.6 | S107 L109 R139 S151 A157 L158 M159 | S107-D155 WeakPolarHBondContact CB-OD2 3.36Å; S107-D155 PolarHBondContact OG-OD2 3.11Å; L109-D155 HydrophobicContact CB-CB 4.03Å; L109-D155 HydrophobicContact CD2-CB 4.41Å; R139-D155 IonicContact CZ-OD2 2.91Å; R139-D155 IonicContact NH1-OD1 2.87Å; R139-D155 IonicContact NH1-OD2 2.9Å; R139-D155 PolarHBondContact NH1-OD2 3.12Å; S151-D155 PolarHBondContact O-N 3.28Å; D155-A157 PolarHBondContact O-N 3.01Å; D155-L158 PolarHBondContact O-N 3.47Å; D155-M159 WeakPolarHBondContact O-CB 3.24Å; D155-M159 WeakPolarHBondContact O-CG 3.44Å; D155-M159 PolarHBondContact O-N 3.01Å |
| 156 | N | 92.3 | Very high | 88 | Confident | 33 Ų | 33 | 22 Ų | 22 | 18% | 0.176 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.4 | -73.6 | -20.6 | 0 | 0 | 0 | 112.2 | P152 M159 L160 L176 L180 Q183 | P152-N156 VanDerWaalsContact O-CB 3.32Å; P152-N156 WeakPolarHBondContact O-CB 3.16Å; P152-N156 VanDerWaalsContact O-CG 3.23Å; P152-N156 PolarHBondContact O-N 2.88Å; P152-N156 PolarHBondContact O-ND2 3.42Å; N156-M159 PolarHBondContact O-N 3.47Å; N156-L160 PolarHBondContact O-N 2.92Å; N156-L176 HydrophobicContact CB-CD2 4.5Å; N156-L176 WeakPolarHBondContact O-CD2 3.38Å; N156-L180 HydrophobicContact CB-CD1 3.5Å; N156-L180 VanDerWaalsContact CB-CD1 3.5Å; N156-Q183 PolarHBondContact ND2-NE2 3.24Å; N156-Q183 PolarHBondContact ND2-OE1 3.19Å |
| 157 | A | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L153 R154 D155 M159 L160 S161 L180 A197 L198 A201 | L153-A157 WeakPolarHBondContact O-CB 3.09Å; L153-A157 PolarHBondContact O-N 3.48Å; R154-A157 PolarHBondContact O-N 2.96Å; D155-A157 PolarHBondContact O-N 3.01Å; A157-M159 VanDerWaalsContact C-N 3.33Å; A157-M159 PolarHBondContact O-N 2.67Å; A157-L160 PolarHBondContact O-N 3.09Å; A157-S161 WeakPolarHBondContact O-CB 3.34Å; A157-S161 PolarHBondContact O-N 3.41Å; A157-L180 HydrophobicContact CB-CD1 3.77Å; A157-L180 HydrophobicContact CB-CD2 4.06Å; A157-L180 HydrophobicContact CB-CG 4.49Å; A157-A197 HydrophobicContact CB-CB 3.74Å; A157-L198 HydrophobicContact CB-CD2 4.24Å; A157-A201 HydrophobicContact CB-CB 4.25Å; A157-A201 WeakPolarHBondContact O-CB 3.48Å |
| 158 | L | 93.5 | Very high | 89.4 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 176.1 | -72.1 | 178.5 | 0 | 0 | 0 | 112.2 | L109 R154 D155 S161 L162 A197 L200 | L109-L158 HydrophobicContact CD1-CB 3.74Å; L109-L158 HydrophobicContact CD2-CB 4.11Å; L109-L158 HydrophobicContact CD2-CD1 3.72Å; R154-L158 HydrophobicContact CG-CD1 4.06Å; R154-L158 WeakPolarHBondContact O-CG 3.4Å; R154-L158 PolarHBondContact O-N 3.38Å; D155-L158 PolarHBondContact O-N 3.47Å; L158-S161 PolarHBondContact O-N 2.96Å; L158-L162 WeakPolarHBondContact O-CB 3.41Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.29Å; L158-A197 HydrophobicContact CD2-CB 4.06Å; L158-A197 HydrophobicContact CG-CB 3.87Å; L158-L200 HydrophobicContact CD2-CD1 4.07Å |
| 159 | M | 94.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 174.4 | -74.9 | 173.1 | 63.2 | 0 | 0 | 111.6 | L109 L112 L135 D155 N156 A157 S161 L162 L163 L176 | L109-M159 HydrophobicContact CB-CG 4.1Å; L109-M159 HydrophobicContact CB-SD 4.35Å; L109-M159 HydrophobicContact CD1-CG 3.96Å; L112-M159 HydrophobicContact CB-CG 4.46Å; L112-M159 VanDerWaalsContact CD2-CA 3.48Å; L112-M159 HydrophobicContact CD2-CB 3.73Å; L112-M159 HydrophobicContact CD2-CG 3.71Å; L112-M159 WeakPolarHBondContact CD2-O 3.49Å; L135-M159 HydrophobicContact CD2-CE 3.94Å; D155-M159 WeakPolarHBondContact O-CB 3.24Å; D155-M159 WeakPolarHBondContact O-CG 3.44Å; D155-M159 PolarHBondContact O-N 3.01Å; N156-M159 PolarHBondContact O-N 3.47Å; A157-M159 VanDerWaalsContact C-N 3.33Å; A157-M159 PolarHBondContact O-N 2.67Å; M159-S161 PolarHBondContact O-N 3.11Å; M159-L162 PolarHBondContact O-N 3.44Å; M159-L163 WeakPolarHBondContact O-CB 3.45Å; M159-L163 VanDerWaalsContact O-CG 3.28Å; M159-L163 WeakPolarHBondContact O-CG 3.48Å; M159-L163 PolarHBondContact O-N 3.05Å; M159-L176 HydrophobicContact CB-CD2 3.8Å |
| 160 | L | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 175 | -177.4 | 54.3 | 0 | 0 | 0 | 111.3 | N156 A157 L162 L163 E164 Q173 L176 L177 L180 A201 I205 | N156-L160 PolarHBondContact O-N 2.92Å; A157-L160 PolarHBondContact O-N 3.09Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.43Å; L160-L163 PolarHBondContact O-N 3.38Å; L160-E164 HydrophobicContact CD1-CG 4.24Å; L160-E164 PolarHBondContact O-N 2.88Å; L160-Q173 HydrophobicContact CD1-CB 3.94Å; L160-Q173 HydrophobicContact CD1-CG 4.28Å; L160-L176 HydrophobicContact CB-CD2 3.83Å; L160-L177 HydrophobicContact CD2-CB 4.11Å; L160-L177 HydrophobicContact CD2-CD1 4.01Å; L160-L180 HydrophobicContact CD2-CD2 4.15Å; L160-A201 HydrophobicContact CB-CB 4.4Å; L160-A201 HydrophobicContact CD2-CB 4.26Å; L160-A201 HydrophobicContact CG-CB 4.45Å; L160-I205 HydrophobicContact CD2-CD1 3.73Å; L160-I205 HydrophobicContact CG-CD1 4.3Å |
| 161 | S | 92.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.4 | -44.6 | 178.2 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | A157 L158 M159 E165 L200 | A157-S161 WeakPolarHBondContact O-CB 3.34Å; A157-S161 PolarHBondContact O-N 3.41Å; L158-S161 PolarHBondContact O-N 2.96Å; M159-S161 PolarHBondContact O-N 3.11Å; S161-E165 WeakPolarHBondContact O-CB 3.43Å; S161-E165 PolarHBondContact O-N 3.48Å; S161-L200 PolarHBondContact OG-O 2.85Å |
| 162 | L | 93.2 | Very high | 90.1 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 178.2 | -77.6 | 170.4 | 0 | 0 | 0 | 113 | L82 L109 L112 Q113 L158 M159 L160 N166 | L82-L162 HydrophobicContact CD1-CD2 4.41Å; L82-L162 HydrophobicContact CD2-CD1 4.27Å; L82-L162 HydrophobicContact CD2-CD2 3.74Å; L109-L162 HydrophobicContact CD1-CD1 3.99Å; L112-L162 HydrophobicContact CD2-CB 3.79Å; L112-L162 HydrophobicContact CD2-CD1 4.09Å; Q113-L162 HydrophobicContact CG-CD1 3.92Å; L158-L162 WeakPolarHBondContact O-CB 3.41Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.29Å; M159-L162 PolarHBondContact O-N 3.44Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.43Å; L162-N166 WeakPolarHBondContact O-CB 3.33Å; L162-N166 PolarHBondContact O-N 2.77Å; L162-N166 PolarHBondContact O-ND2 3.45Å |
| 163 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.9 | -72.7 | 171.8 | 0 | 0 | 0 | 111.2 | L112 I131 L135 M159 L160 K167 L168 Q173 | L112-L163 HydrophobicContact CD1-CD2 3.87Å; L112-L163 HydrophobicContact CD1-CG 4.39Å; L112-L163 HydrophobicContact CD2-CG 4.22Å; I131-L163 HydrophobicContact CG2-CD2 4.39Å; L135-L163 HydrophobicContact CD2-CD1 4.28Å; M159-L163 WeakPolarHBondContact O-CB 3.45Å; M159-L163 VanDerWaalsContact O-CG 3.28Å; M159-L163 WeakPolarHBondContact O-CG 3.48Å; M159-L163 PolarHBondContact O-N 3.05Å; L160-L163 PolarHBondContact O-N 3.38Å; L163-K167 WeakPolarHBondContact O-CA 3.24Å; L163-K167 PolarHBondContact O-N 3.14Å; L163-L168 HydrophobicContact CD2-CB 3.85Å; L163-L168 PolarHBondContact O-N 3.24Å; L163-Q173 HydrophobicContact CB-CG 3.96Å; L163-Q173 HydrophobicContact CD1-CG 4.46Å; L163-Q173 PolarHBondContact O-NE2 2.93Å |
| 164 | E | 89 | Confident | 89.5 | Confident | 35 Ų | 35 | 46 Ų | 46 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.2 | -47 | 178.2 | -73.9 | -167.5 | 132.7 | 0 | 0 | 112.2 | L160 N166 K167 Q173 T204 I205 | L160-E164 HydrophobicContact CD1-CG 4.24Å; L160-E164 PolarHBondContact O-N 2.88Å; E164-N166 PolarHBondContact O-N 3.32Å; E164-K167 PolarHBondContact O-N 3.26Å; E164-Q173 HydrophobicContact CG-CG 4.4Å; E164-T204 HydrophobicContact CB-CG2 4.49Å; E164-T204 WeakPolarHBondContact OE2-CB 3.38Å; E164-T204 PolarHBondContact OE2-OG1 3.39Å; E164-I205 VanDerWaalsContact OE1-CG1 3.22Å; E164-I205 WeakPolarHBondContact OE1-CG1 2.98Å; E164-I205 WeakPolarHBondContact OE2-CG1 3.29Å |
| 165 | E | 88.5 | Confident | 89.2 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.9 | -35.5 | 179.5 | -177.8 | 171.6 | -168.6 | 0 | 0 | 112.1 | R31 R86 S161 | R31-E165 IonicContact CZ-OE1 3.8Å; R31-E165 IonicContact CZ-OE2 2.87Å; R31-E165 IonicContact NH1-OE1 3.51Å; R31-E165 PolarHBondContact NH1-OE1 3.27Å; R31-E165 IonicContact NH1-OE2 3.38Å; R31-E165 PolarHBondContact NH1-OE2 3.26Å; R31-E165 IonicContact NH2-OE1 3.78Å; R31-E165 IonicContact NH2-OE2 3.04Å; R31-E165 PolarHBondContact NH2-OE2 3.11Å; R86-E165 IonicContact CZ-OE1 3.86Å; R86-E165 IonicContact NE-OE1 3.29Å; R86-E165 IonicContact NH2-OE1 3.53Å; R86-E165 PolarHBondContact NH2-OE1 2.7Å; R86-E165 IonicContact NH2-OE2 2.87Å; R86-E165 PolarHBondContact NH2-OE2 2.93Å; S161-E165 WeakPolarHBondContact O-CB 3.43Å; S161-E165 PolarHBondContact O-N 3.48Å |
| 166 | N | 89.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 2.6 | -179.7 | -66.4 | -84.7 | 0 | 0 | 0 | 114 | L162 E164 L168 | L162-N166 WeakPolarHBondContact O-CB 3.33Å; L162-N166 PolarHBondContact O-N 2.77Å; L162-N166 PolarHBondContact O-ND2 3.45Å; E164-N166 PolarHBondContact O-N 3.32Å; N166-L168 HydrophobicContact CB-CD1 3.67Å; N166-L168 HydrophobicContact CB-CG 3.84Å; N166-L168 PolarHBondContact O-N 3.26Å |
| 167 | K | 89 | Confident | 88.6 | Confident | 187 Ų | 187 | 51.1 Ų | 51.1 | 81% | 0.813 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 48 | -179.2 | -53 | 180 | -177.8 | -178.6 | 0 | 113.3 | L163 E164 | L163-K167 WeakPolarHBondContact O-CA 3.24Å; L163-K167 PolarHBondContact O-N 3.14Å; E164-K167 PolarHBondContact O-N 3.26Å |
| 168 | L | 89.9 | Confident | 88.1 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | trans | -111.9 | 135.1 | -175.6 | -61.4 | 171.5 | 0 | 0 | 0 | 111.5 | V116 K119 I131 L163 N166 Q173 | V116-L168 HydrophobicContact CG2-CD1 4.1Å; K119-L168 HydrophobicContact CD-CD2 4.21Å; I131-L168 HydrophobicContact CD1-CD1 3.84Å; L163-L168 HydrophobicContact CD2-CB 3.85Å; L163-L168 PolarHBondContact O-N 3.24Å; N166-L168 HydrophobicContact CB-CD1 3.67Å; N166-L168 HydrophobicContact CB-CG 3.84Å; N166-L168 PolarHBondContact O-N 3.26Å; L168-Q173 PolarHBondContact O-NE2 2.9Å | ||
| 169 | L | 89 | Confident | 87.7 | Confident | 74 Ų | 74 | 57 Ų | 57 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | trans | 52 | 61.2 | 171.2 | -56 | 177.9 | 0 | 0 | 0 | 114.8 | I131 L135 D171 E172 Q173 | I131-L169 HydrophobicContact CG2-CD1 3.53Å; I131-L169 HydrophobicContact CG2-CG 4.45Å; L135-L169 HydrophobicContact CD1-CD1 3.49Å; L135-L169 VanDerWaalsContact CD1-CD1 3.49Å; L169-D171 PolarHBondContact O-N 3.13Å; L169-D171 VanDerWaalsContact O-N 3.14Å; L169-E172 HydrophobicContact CB-CB 3.98Å; L169-E172 HydrophobicContact CB-CG 4.14Å; L169-E172 HydrophobicContact CD1-CG 4.4Å; L169-E172 PolarHBondContact O-N 3.11Å; L169-Q173 WeakPolarHBondContact O-CG 3.41Å; L169-Q173 PolarHBondContact O-N 3.5Å; L169-Q173 VanDerWaalsContact O-N 3.12Å | ||
| 170 | P | 82.5 | Confident | 87.3 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.5 | -32 | -177.5 | 21.8 | -32.8 | 0 | 0 | 0 | 114.5 | Q173 | P170-Q173 WeakPolarHBondContact O-CB 3.43Å |
| 171 | D | 81.1 | Confident | 86.8 | Confident | 135 Ų | 135 | 59.4 Ų | 59.4 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.4 | -37.3 | 178 | -61.2 | -33.2 | 0 | 0 | 0 | 112.4 | L169 N174 | L169-D171 PolarHBondContact O-N 3.13Å; L169-D171 VanDerWaalsContact O-N 3.14Å; D171-N174 PolarHBondContact O-N 3.38Å |
| 172 | E | 86.2 | Confident | 86.2 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74 | -29.6 | 177.9 | -66.1 | -71.5 | 176.5 | 0 | 0 | 112 | L135 L169 N174 T175 L176 | L135-E172 HydrophobicContact CD1-CB 3.96Å; L135-E172 HydrophobicContact CD1-CG 3.72Å; L169-E172 HydrophobicContact CB-CB 3.98Å; L169-E172 HydrophobicContact CB-CG 4.14Å; L169-E172 HydrophobicContact CD1-CG 4.4Å; L169-E172 PolarHBondContact O-N 3.11Å; E172-N174 PolarHBondContact O-N 3.08Å; E172-T175 PolarHBondContact O-N 2.84Å; E172-L176 PolarHBondContact O-N 2.99Å |
| 173 | Q | 87.5 | Confident | 85.7 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.1 | -41.6 | 174.2 | -67.6 | 168.3 | 11.4 | 0 | 0 | 111.2 | L160 L163 E164 L168 L169 P170 L176 L177 | L160-Q173 HydrophobicContact CD1-CB 3.94Å; L160-Q173 HydrophobicContact CD1-CG 4.28Å; L163-Q173 HydrophobicContact CB-CG 3.96Å; L163-Q173 HydrophobicContact CD1-CG 4.46Å; L163-Q173 PolarHBondContact O-NE2 2.93Å; E164-Q173 HydrophobicContact CG-CG 4.4Å; L168-Q173 PolarHBondContact O-NE2 2.9Å; L169-Q173 WeakPolarHBondContact O-CG 3.41Å; L169-Q173 PolarHBondContact O-N 3.5Å; L169-Q173 VanDerWaalsContact O-N 3.12Å; P170-Q173 WeakPolarHBondContact O-CB 3.43Å; Q173-L176 PolarHBondContact O-N 3.41Å; Q173-L177 VanDerWaalsContact O-CB 3.32Å; Q173-L177 WeakPolarHBondContact O-CB 3.43Å; Q173-L177 PolarHBondContact O-N 3.41Å |
| 174 | N | 79.4 | Confident | 85.2 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.9 | -70.9 | -37.1 | 0 | 0 | 0 | 112.5 | D171 E172 L177 N178 | D171-N174 PolarHBondContact O-N 3.38Å; E172-N174 PolarHBondContact O-N 3.08Å; N174-L177 PolarHBondContact O-N 2.88Å; N174-N178 PolarHBondContact O-N 3.36Å; N174-N178 VanDerWaalsContact O-N 3.15Å; N174-N178 PolarHBondContact O-ND2 3.26Å |
| 175 | T | 84.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 175.4 | -57 | 0 | 0 | 0 | 0 | 110.6 | E172 L177 N178 T179 | E172-T175 PolarHBondContact O-N 2.84Å; T175-L177 PolarHBondContact O-N 2.84Å; T175-N178 PolarHBondContact O-N 3.36Å; T175-T179 PolarHBondContact O-N 3.4Å; T175-T179 VanDerWaalsContact O-N 3.13Å; T175-T179 PolarHBondContact O-OG1 2.68Å |
| 176 | L | 87.1 | Confident | 83.3 | Confident | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.8 | -133.2 | 95.4 | 0 | 0 | 0 | 111.9 | L135 N156 M159 L160 E172 Q173 N178 T179 L180 | L135-L176 HydrophobicContact CD2-CD1 3.89Å; N156-L176 HydrophobicContact CB-CD2 4.5Å; N156-L176 WeakPolarHBondContact O-CD2 3.38Å; M159-L176 HydrophobicContact CB-CD2 3.8Å; L160-L176 HydrophobicContact CB-CD2 3.83Å; E172-L176 PolarHBondContact O-N 2.99Å; Q173-L176 PolarHBondContact O-N 3.41Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 3.27Å; L176-T179 PolarHBondContact O-N 2.9Å; L176-L180 VanDerWaalsContact O-CB 3.31Å; L176-L180 WeakPolarHBondContact O-CB 3.22Å; L176-L180 PolarHBondContact O-N 2.78Å |
| 177 | L | 85.8 | Confident | 82.4 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 176.7 | 177.3 | 59.6 | 0 | 0 | 0 | 111.8 | L160 Q173 N174 T175 L180 S181 I205 | L160-L177 HydrophobicContact CD2-CB 4.11Å; L160-L177 HydrophobicContact CD2-CD1 4.01Å; Q173-L177 VanDerWaalsContact O-CB 3.32Å; Q173-L177 WeakPolarHBondContact O-CB 3.43Å; Q173-L177 PolarHBondContact O-N 3.41Å; N174-L177 PolarHBondContact O-N 2.88Å; T175-L177 PolarHBondContact O-N 2.84Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-S181 WeakPolarHBondContact O-CB 3.48Å; L177-S181 PolarHBondContact O-N 2.97Å; L177-I205 HydrophobicContact CD1-CD1 3.86Å; L177-I205 HydrophobicContact CD2-CD1 4.47Å |
| 178 | N | 81.6 | Confident | 81.2 | Confident | 95 Ų | 95 | 81 Ų | 81 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.8 | -75.4 | -36.9 | 0 | 0 | 0 | 111.9 | N174 T175 L176 S181 Q182 | N174-N178 PolarHBondContact O-N 3.36Å; N174-N178 VanDerWaalsContact O-N 3.15Å; N174-N178 PolarHBondContact O-ND2 3.26Å; T175-N178 PolarHBondContact O-N 3.36Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 3.27Å; N178-S181 PolarHBondContact O-N 3.17Å; N178-Q182 WeakPolarHBondContact O-CG 3.33Å; N178-Q182 PolarHBondContact O-N 3.19Å; N178-Q182 VanDerWaalsContact O-N 3.16Å |
| 179 | T | 84.5 | Confident | 80.4 | Confident | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.344 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | T175 L176 S181 Q182 Q183 | T175-T179 PolarHBondContact O-N 3.4Å; T175-T179 VanDerWaalsContact O-N 3.13Å; T175-T179 PolarHBondContact O-OG1 2.68Å; L176-T179 PolarHBondContact O-N 2.9Å; T179-S181 VanDerWaalsContact C-N 3.33Å; T179-S181 PolarHBondContact O-N 2.78Å; T179-Q182 PolarHBondContact O-N 3.14Å; T179-Q183 HydrophobicContact CG2-CG 4.47Å; T179-Q183 WeakPolarHBondContact O-CG 3.45Å; T179-Q183 PolarHBondContact O-N 2.95Å |
| 180 | L | 87.4 | Confident | 80 | Confident | 11 Ų | 11 | 89.8 Ų | 89.8 | 6% | 0.058 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 179.5 | -159.7 | 80.6 | 0 | 0 | 0 | 111.7 | N156 A157 L160 L176 L177 Q182 Q183 A184 L198 A201 | N156-L180 HydrophobicContact CB-CD1 3.5Å; N156-L180 VanDerWaalsContact CB-CD1 3.5Å; A157-L180 HydrophobicContact CB-CD1 3.77Å; A157-L180 HydrophobicContact CB-CD2 4.06Å; A157-L180 HydrophobicContact CB-CG 4.49Å; L160-L180 HydrophobicContact CD2-CD2 4.15Å; L176-L180 VanDerWaalsContact O-CB 3.31Å; L176-L180 WeakPolarHBondContact O-CB 3.22Å; L176-L180 PolarHBondContact O-N 2.78Å; L177-L180 PolarHBondContact O-N 3.43Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 2.91Å; L180-Q183 PolarHBondContact O-N 3.49Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.14Å; L180-A184 PolarHBondContact O-N 3.42Å; L180-L198 HydrophobicContact CD1-CD2 4.4Å; L180-L198 HydrophobicContact CD2-CD2 3.74Å; L180-L198 HydrophobicContact CG-CD2 3.92Å; L180-A201 HydrophobicContact CD2-CB 4.28Å |
| 181 | S | 80.7 | Confident | 79.9 | Confident | 50 Ų | 50 | 88.3 Ų | 88.3 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61 | -40 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | L177 N178 T179 F185 | L177-S181 WeakPolarHBondContact O-CB 3.48Å; L177-S181 PolarHBondContact O-N 2.97Å; N178-S181 PolarHBondContact O-N 3.17Å; T179-S181 VanDerWaalsContact C-N 3.33Å; T179-S181 PolarHBondContact O-N 2.78Å; S181-F185 WeakPolarHBondContact O-CB 3.28Å; S181-F185 PolarHBondContact O-N 2.62Å |
| 182 | Q | 80.2 | Confident | 79.8 | Confident | 151 Ų | 151 | 87.9 Ų | 87.9 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.3 | -42.8 | 177.8 | -71.4 | 178.3 | 1.6 | 0 | 0 | 111.8 | N178 T179 L180 F185 | N178-Q182 WeakPolarHBondContact O-CG 3.33Å; N178-Q182 PolarHBondContact O-N 3.19Å; N178-Q182 VanDerWaalsContact O-N 3.16Å; T179-Q182 PolarHBondContact O-N 3.14Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 2.91Å; Q182-F185 PolarHBondContact O-N 2.7Å |
| 183 | Q | 83.7 | Confident | 79.7 | Confident | 55 Ų | 55 | 85.4 Ų | 85.4 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.8 | -70.7 | 177.1 | -35.1 | 0 | 0 | 111.4 | L153 N156 T179 L180 F185 G186 | L153-Q183 HydrophobicContact CD1-CB 3.58Å; N156-Q183 PolarHBondContact ND2-NE2 3.24Å; N156-Q183 PolarHBondContact ND2-OE1 3.19Å; T179-Q183 HydrophobicContact CG2-CG 4.47Å; T179-Q183 WeakPolarHBondContact O-CG 3.45Å; T179-Q183 PolarHBondContact O-N 2.95Å; L180-Q183 PolarHBondContact O-N 3.49Å; Q183-F185 VanDerWaalsContact C-N 3.31Å; Q183-F185 PolarHBondContact O-N 2.79Å; Q183-G186 PolarHBondContact O-N 3.31Å |
| 184 | A | 81.3 | Confident | 79.7 | Confident | 36 Ų | 36 | 85.3 Ų | 85.3 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.7 | -31.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L153 L180 G186 L198 | L153-A184 HydrophobicContact CD1-CB 3.91Å; L153-A184 VanDerWaalsContact CD1-N 3.34Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.14Å; L180-A184 PolarHBondContact O-N 3.42Å; A184-G186 VanDerWaalsContact C-N 3.32Å; A184-L198 HydrophobicContact CB-CD1 4.42Å; A184-L198 HydrophobicContact CB-CD2 4.37Å |
| 185 | F | 71.1 | Confident | 80.2 | Confident | 183 Ų | 183 | 83.3 Ų | 83.3 | 80% | 0.803 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -74.5 | -22.5 | -178.7 | -161.1 | -93.5 | 0 | 0 | 0 | 113.2 | S181 Q182 Q183 | S181-F185 WeakPolarHBondContact O-CB 3.28Å; S181-F185 PolarHBondContact O-N 2.62Å; Q182-F185 PolarHBondContact O-N 2.7Å; Q183-F185 VanDerWaalsContact C-N 3.31Å; Q183-F185 PolarHBondContact O-N 2.79Å |
| 186 | G | 66.4 | Low | 80.3 | Confident | 64 Ų | 64 | 81.8 Ų | 81.8 | 66% | 0.66 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -85.6 | -17.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q183 A184 | Q183-G186 PolarHBondContact O-N 3.31Å; A184-G186 VanDerWaalsContact C-N 3.32Å |
| 187 | E | 70.5 | Confident | 80.5 | Confident | 110 Ų | 110 | 81 Ų | 81 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | trans | -90.1 | 122.8 | -171.6 | -70.6 | -58.8 | 157.6 | 0 | 0 | 112.7 | L190 | E187-L190 HydrophobicContact CB-CD2 3.86Å; E187-L190 HydrophobicContact CG-CD2 4.39Å | ||
| 188 | R | 65.4 | Low | 80.7 | Confident | 218 Ų | 218 | 80 Ų | 80 | 82% | 0.823 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -78.2 | -27.8 | 177.8 | -166.9 | 175.5 | 179.3 | 178.4 | 0.9 | 112.4 | ||
| 189 | W | 71.7 | Confident | 81 | Confident | 209 Ų | 209 | 81.3 Ų | 81.3 | 79% | 0.792 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -140.3 | 127 | -177.8 | -58.9 | 99.4 | 0 | 0 | 0 | 109.1 | ||
| 190 | L | 81.1 | Confident | 81.1 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | trans | -102.5 | 137.5 | 174.6 | -62.2 | 172.1 | 0 | 0 | 0 | 109.2 | L153 E187 E194 S195 L198 | L153-L190 HydrophobicContact CD2-CD2 3.66Å; E187-L190 HydrophobicContact CB-CD2 3.86Å; E187-L190 HydrophobicContact CG-CD2 4.39Å; L190-E194 HydrophobicContact CB-CB 4.24Å; L190-E194 HydrophobicContact CD2-CB 4.27Å; L190-S195 WeakPolarHBondContact CB-OG 3.35Å; L190-L198 HydrophobicContact CD1-CD1 3.63Å; L190-L198 HydrophobicContact CD2-CD1 4.34Å | ||
| 191 | S | 80 | Confident | 81.2 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | trans | -64.1 | 165.1 | 166.9 | 68.8 | 0 | 0 | 0 | 0 | 111 | Q193 E194 S195 | S191-Q193 PolarHBondContact O-N 3.37Å; S191-E194 VanDerWaalsContact CB-OE2 3.28Å; S191-E194 WeakPolarHBondContact CB-OE2 3.21Å; S191-E194 PolarHBondContact N-OE2 3.22Å; S191-E194 PolarHBondContact O-N 3.08Å; S191-E194 WeakPolarHBondContact OG-CB 3.42Å; S191-E194 VanDerWaalsContact OG-CD 3.26Å; S191-E194 WeakPolarHBondContact OG-CG 3.35Å; S191-E194 PolarHBondContact OG-N 3.39Å; S191-E194 PolarHBondContact OG-OE2 2.86Å; S191-S195 WeakPolarHBondContact O-CB 3.38Å; S191-S195 PolarHBondContact O-N 3.4Å; S191-S195 PolarHBondContact O-OG 3.35Å | ||
| 192 | T | 78.7 | Confident | 81.2 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 77% | 0.773 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.6 | -36 | 175.3 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | N196 | T192-N196 WeakPolarHBondContact O-CB 3.33Å; T192-N196 PolarHBondContact O-N 2.77Å |
| 193 | Q | 84.3 | Confident | 81.1 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 179.1 | -65.9 | -151.9 | 37.1 | 0 | 0 | 112.3 | S191 N196 A197 | S191-Q193 PolarHBondContact O-N 3.37Å; Q193-N196 PolarHBondContact O-N 3.26Å; Q193-A197 VanDerWaalsContact O-CB 3.27Å; Q193-A197 WeakPolarHBondContact O-CB 3.33Å; Q193-A197 PolarHBondContact O-N 2.88Å |
| 194 | E | 89.1 | Confident | 80.3 | Confident | 26 Ų | 26 | 79 Ų | 79 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.7 | -74.7 | 167.4 | 144.4 | 0 | 0 | 111.7 | S151 L153 R154 L190 S191 N196 A197 L198 | S151-E194 WeakPolarHBondContact CB-OE1 3.45Å; S151-E194 WeakPolarHBondContact OG-CG 3.36Å; S151-E194 PolarHBondContact OG-OE1 3.38Å; L153-E194 HydrophobicContact CD2-CB 3.52Å; L153-E194 HydrophobicContact CD2-CG 3.58Å; R154-E194 HydrophobicContact CB-CG 4.01Å; L190-E194 HydrophobicContact CB-CB 4.24Å; L190-E194 HydrophobicContact CD2-CB 4.27Å; S191-E194 VanDerWaalsContact CB-OE2 3.28Å; S191-E194 WeakPolarHBondContact CB-OE2 3.21Å; S191-E194 PolarHBondContact N-OE2 3.22Å; S191-E194 PolarHBondContact O-N 3.08Å; S191-E194 WeakPolarHBondContact OG-CB 3.42Å; S191-E194 VanDerWaalsContact OG-CD 3.26Å; S191-E194 WeakPolarHBondContact OG-CG 3.35Å; S191-E194 PolarHBondContact OG-N 3.39Å; S191-E194 PolarHBondContact OG-OE2 2.86Å; E194-N196 VanDerWaalsContact C-N 3.32Å; E194-N196 PolarHBondContact O-N 2.74Å; E194-A197 PolarHBondContact O-N 2.84Å; E194-L198 WeakPolarHBondContact O-CB 3.47Å; E194-L198 WeakPolarHBondContact O-CG 3.11Å; E194-L198 PolarHBondContact O-N 2.9Å |
| 195 | S | 88 | Confident | 79.7 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | L190 S191 F199 | L190-S195 WeakPolarHBondContact CB-OG 3.35Å; S191-S195 WeakPolarHBondContact O-CB 3.38Å; S191-S195 PolarHBondContact O-N 3.4Å; S191-S195 PolarHBondContact O-OG 3.35Å; S195-F199 WeakPolarHBondContact O-CB 3.3Å; S195-F199 PolarHBondContact O-N 2.8Å |
| 196 | N | 87.8 | Confident | 79.3 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.6 | -173.3 | 46.7 | 0 | 0 | 0 | 112.2 | Y24 T192 Q193 E194 F199 L200 | Y24-N196 PolarHBondContact OH-ND2 3.16Å; T192-N196 WeakPolarHBondContact O-CB 3.33Å; T192-N196 PolarHBondContact O-N 2.77Å; Q193-N196 PolarHBondContact O-N 3.26Å; E194-N196 VanDerWaalsContact C-N 3.32Å; E194-N196 PolarHBondContact O-N 2.74Å; N196-F199 WeakPolarHBondContact O-CB 3.23Å; N196-F199 PolarHBondContact O-N 3.08Å; N196-L200 WeakPolarHBondContact O-CG 3.44Å; N196-L200 PolarHBondContact O-N 3.12Å |
| 197 | A | 91.1 | Very high | 78.9 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 2% | 0.017 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R154 A157 L158 Q193 E194 F199 L200 A201 | R154-A197 HydrophobicContact CB-CB 4.46Å; R154-A197 HydrophobicContact CG-CB 4.06Å; A157-A197 HydrophobicContact CB-CB 3.74Å; L158-A197 HydrophobicContact CD2-CB 4.06Å; L158-A197 HydrophobicContact CG-CB 3.87Å; Q193-A197 VanDerWaalsContact O-CB 3.27Å; Q193-A197 WeakPolarHBondContact O-CB 3.33Å; Q193-A197 PolarHBondContact O-N 2.88Å; E194-A197 PolarHBondContact O-N 2.84Å; A197-F199 VanDerWaalsContact C-N 3.31Å; A197-F199 PolarHBondContact O-N 3.43Å; A197-L200 PolarHBondContact O-N 3.36Å; A197-A201 PolarHBondContact O-N 2.78Å |
| 198 | L | 89.8 | Confident | 78.4 | Confident | 35 Ų | 35 | 79.3 Ų | 79.3 | 18% | 0.183 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -41 | 174.1 | -74.5 | 173.8 | 0 | 0 | 0 | 111.8 | L153 A157 L180 A184 L190 E194 A201 A202 | L153-L198 HydrophobicContact CD2-CD1 3.97Å; L153-L198 HydrophobicContact CD2-CG 4.2Å; A157-L198 HydrophobicContact CB-CD2 4.24Å; L180-L198 HydrophobicContact CD1-CD2 4.4Å; L180-L198 HydrophobicContact CD2-CD2 3.74Å; L180-L198 HydrophobicContact CG-CD2 3.92Å; A184-L198 HydrophobicContact CB-CD1 4.42Å; A184-L198 HydrophobicContact CB-CD2 4.37Å; L190-L198 HydrophobicContact CD1-CD1 3.63Å; L190-L198 HydrophobicContact CD2-CD1 4.34Å; E194-L198 WeakPolarHBondContact O-CB 3.47Å; E194-L198 WeakPolarHBondContact O-CG 3.11Å; E194-L198 PolarHBondContact O-N 2.9Å; L198-A201 PolarHBondContact O-N 3.5Å; L198-A202 VanDerWaalsContact O-CB 3.25Å; L198-A202 WeakPolarHBondContact O-CB 3.37Å; L198-A202 PolarHBondContact O-N 2.7Å |
| 199 | F | 87.4 | Confident | 78.1 | Confident | 124 Ų | 124 | 74 Ų | 74 | 54% | 0.544 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.7 | 170.9 | -97.7 | 0 | 0 | 0 | 111.8 | S195 N196 A197 A201 A202 R203 | S195-F199 WeakPolarHBondContact O-CB 3.3Å; S195-F199 PolarHBondContact O-N 2.8Å; N196-F199 WeakPolarHBondContact O-CB 3.23Å; N196-F199 PolarHBondContact O-N 3.08Å; A197-F199 VanDerWaalsContact C-N 3.31Å; A197-F199 PolarHBondContact O-N 3.43Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 2.99Å; F199-A202 PolarHBondContact O-N 2.86Å; F199-R203 WeakPolarHBondContact O-CB 3.21Å; F199-R203 PolarHBondContact O-N 2.9Å |
| 200 | L | 87.9 | Confident | 77.8 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 178.5 | -71.6 | 172.9 | 0 | 0 | 0 | 112.6 | L158 S161 N196 A197 | L158-L200 HydrophobicContact CD2-CD1 4.07Å; S161-L200 PolarHBondContact OG-O 2.85Å; N196-L200 WeakPolarHBondContact O-CG 3.44Å; N196-L200 PolarHBondContact O-N 3.12Å; A197-L200 PolarHBondContact O-N 3.36Å |
| 201 | A | 88.7 | Confident | 77.8 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 2% | 0.017 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A157 L160 L180 A197 L198 F199 R203 T204 I205 | A157-A201 HydrophobicContact CB-CB 4.25Å; A157-A201 WeakPolarHBondContact O-CB 3.48Å; L160-A201 HydrophobicContact CB-CB 4.4Å; L160-A201 HydrophobicContact CD2-CB 4.26Å; L160-A201 HydrophobicContact CG-CB 4.45Å; L180-A201 HydrophobicContact CD2-CB 4.28Å; A197-A201 PolarHBondContact O-N 2.78Å; L198-A201 PolarHBondContact O-N 3.5Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 2.99Å; A201-R203 PolarHBondContact O-N 3.1Å; A201-T204 PolarHBondContact O-OG1 3.17Å; A201-T204 VanDerWaalsContact O-OG1 3.08Å; A201-I205 VanDerWaalsContact O-CD1 3.32Å; A201-I205 WeakPolarHBondContact O-CD1 3.44Å; A201-I205 WeakPolarHBondContact O-CG1 3.35Å |
| 202 | A | 81.6 | Confident | 78.1 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.9 | -30.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L198 F199 T204 I205 Q206 | L198-A202 VanDerWaalsContact O-CB 3.25Å; L198-A202 WeakPolarHBondContact O-CB 3.37Å; L198-A202 PolarHBondContact O-N 2.7Å; F199-A202 PolarHBondContact O-N 2.86Å; A202-T204 PolarHBondContact O-N 2.98Å; A202-T204 VanDerWaalsContact O-N 3.17Å; A202-I205 PolarHBondContact O-N 3.34Å; A202-Q206 WeakPolarHBondContact O-CB 3.46Å; A202-Q206 PolarHBondContact O-N 2.69Å |
| 203 | R | 78.5 | Confident | 78.7 | Confident | 128 Ų | 128 | 67.8 Ų | 67.8 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.9 | -34.7 | -178 | 176 | -177.8 | 163 | -170.6 | -3.5 | 112.9 | F199 A201 | F199-R203 WeakPolarHBondContact O-CB 3.21Å; F199-R203 PolarHBondContact O-N 2.9Å; A201-R203 PolarHBondContact O-N 3.1Å |
| 204 | T | 65.1 | Low | 79 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -86.9 | -18.2 | -178.7 | 31.3 | 0 | 0 | 0 | 0 | 113 | E164 A201 A202 | E164-T204 HydrophobicContact CB-CG2 4.49Å; E164-T204 WeakPolarHBondContact OE2-CB 3.38Å; E164-T204 PolarHBondContact OE2-OG1 3.39Å; A201-T204 PolarHBondContact O-OG1 3.17Å; A201-T204 VanDerWaalsContact O-OG1 3.08Å; A202-T204 PolarHBondContact O-N 2.98Å; A202-T204 VanDerWaalsContact O-N 3.17Å |
| 205 | I | 68.5 | Low | 79.2 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -98.3 | -22.6 | -176.1 | -58.1 | 173.3 | 0 | 0 | 0 | 111.7 | L160 E164 L177 A201 A202 D207 L208 | L160-I205 HydrophobicContact CD2-CD1 3.73Å; L160-I205 HydrophobicContact CG-CD1 4.3Å; E164-I205 VanDerWaalsContact OE1-CG1 3.22Å; E164-I205 WeakPolarHBondContact OE1-CG1 2.98Å; E164-I205 WeakPolarHBondContact OE2-CG1 3.29Å; L177-I205 HydrophobicContact CD1-CD1 3.86Å; L177-I205 HydrophobicContact CD2-CD1 4.47Å; A201-I205 VanDerWaalsContact O-CD1 3.32Å; A201-I205 WeakPolarHBondContact O-CD1 3.44Å; A201-I205 WeakPolarHBondContact O-CG1 3.35Å; A202-I205 PolarHBondContact O-N 3.34Å; I205-D207 PolarHBondContact O-N 3.4Å; I205-L208 HydrophobicContact CB-CD1 4.33Å; I205-L208 HydrophobicContact CG2-CD1 3.8Å; I205-L208 WeakPolarHBondContact O-CB 3.46Å; I205-L208 PolarHBondContact O-N 2.68Å |
| 206 | Q | 64.4 | Low | 79.2 | Confident | 136 Ų | 136 | 66.3 Ų | 66.3 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.9 | -169.8 | -135 | 175.9 | 3.4 | 0 | 0 | 115.1 | A202 | A202-Q206 WeakPolarHBondContact O-CB 3.46Å; A202-Q206 PolarHBondContact O-N 2.69Å |
| 207 | D | 57.2 | Low | 79.2 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 5.2 | 178.6 | -81.8 | -48.5 | 0 | 0 | 0 | 113.7 | I205 P209 K227 | I205-D207 PolarHBondContact O-N 3.4Å; D207-P209 WeakPolarHBondContact O-CD 2.9Å; D207-K227 IonicContact OD1-NZ 2.78Å; D207-K227 PolarHBondContact OD1-NZ 3.14Å |
| 208 | L | 60.8 | Low | 78.8 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 57% | 0.571 | 36% | 0.363 | S | S | * | . | trans | -65 | 121.9 | 175.6 | -73.1 | 175.7 | 0 | 0 | 0 | 109.7 | I205 G210 | I205-L208 HydrophobicContact CB-CD1 4.33Å; I205-L208 HydrophobicContact CG2-CD1 3.8Å; I205-L208 WeakPolarHBondContact O-CB 3.46Å; I205-L208 PolarHBondContact O-N 2.68Å; L208-G210 PolarHBondContact O-N 3.11Å | ||
| 209 | P | 58.4 | Low | 78.2 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 70% | 0.695 | 37% | 0.365 | S | S | * | . | trans | -68 | 127.4 | -179.1 | 26.3 | -32.2 | 0 | 0 | 0 | 110 | D207 | D207-P209 WeakPolarHBondContact O-CD 2.9Š| ||
| 210 | G | 66.1 | Low | 77.6 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | trans | -140.7 | 112.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | L208 W212 E226 | L208-G210 PolarHBondContact O-N 3.11Å; G210-W212 PolarHBondContact O-N 2.94Å; G210-E226 PolarHBondContact N-O 3.14Å; G210-E226 VanDerWaalsContact N-O 3.1Å; G210-E226 CarbonylContact O-C 3.58Å; G210-E226 WeakPolarHBondContact O-CA 3.32Å | ||
| 211 | K | 80.8 | Confident | 77.4 | Confident | 152 Ų | 152 | 73.6 Ų | 73.6 | 66% | 0.661 | 40% | 0.401 | S | S | * | . | trans | -67.8 | 120.2 | 174.8 | -71.5 | -176.9 | 179.5 | -177.5 | 0 | 109 | G225 E226 | K211-G225 WeakPolarHBondContact CA-O 3.14Å; K211-E226 WeakPolarHBondContact CE-OE1 3.44Å; K211-E226 HydrophobicContact CG-CG 4.12Å | ||
| 212 | W | 87 | Confident | 77.3 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 17% | 0.167 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 152.7 | 175.4 | 63.4 | -95 | 0 | 0 | 0 | 110.8 | G210 A214 L223 T224 G225 K227 L229 L251 | G210-W212 PolarHBondContact O-N 2.94Å; W212-A214 HydrophobicContact CE3-CB 4.29Å; W212-A214 HydrophobicContact CZ3-CB 4.2Å; W212-L223 HydrophobicContact CH2-CB 3.89Å; W212-L223 HydrophobicContact CZ3-CB 3.65Å; W212-L223 WeakPolarHBondContact CZ3-O 3.29Å; W212-T224 WeakPolarHBondContact O-CA 3.46Å; W212-G225 VanDerWaalsContact CD1-O 3.23Å; W212-G225 PolarHBondContact N-O 2.96Å; W212-G225 PolarHBondContact NE1-O 2.88Å; W212-G225 PolarHBondContact O-N 3.45Å; W212-G225 VanDerWaalsContact O-N 3.14Å; W212-K227 PolarHBondContact NE1-O 3.3Å; W212-L229 HydrophobicContact CH2-CB 3.87Å; W212-L229 HydrophobicContact CH2-CD2 3.64Å; W212-L229 HydrophobicContact CH2-CG 4.39Å; W212-L229 HydrophobicContact CZ2-CB 3.59Å; W212-L229 HydrophobicContact CZ2-CD2 4.21Å; W212-L251 HydrophobicContact CB-CD1 4Å; W212-L251 HydrophobicContact CD2-CD1 4.38Å; W212-L251 HydrophobicContact CE3-CD1 4.15Å; W212-L251 HydrophobicContact CG-CD1 4.34Å |
| 213 | Q | 90.1 | Very high | 77.6 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 134.7 | 175.6 | -52.6 | -175.3 | 0.5 | 0 | 0 | 110 | L223 T224 N245 S246 G247 | Q213-L223 CarbonylContact C-O 3.58Å; Q213-L223 WeakPolarHBondContact CA-O 3.43Å; Q213-T224 HydrophobicContact CB-CG2 4.16Å; Q213-T224 HydrophobicContact CG-CG2 3.81Å; Q213-N245 PolarHBondContact O-OD1 3.29Å; Q213-N245 VanDerWaalsContact O-OD1 3.11Å; Q213-S246 VanDerWaalsContact CB-OG 3.3Å; Q213-S246 WeakPolarHBondContact CB-OG 3.44Å; Q213-S246 PolarHBondContact O-N 2.65Å; Q213-S246 PolarHBondContact O-OG 2.57Å; Q213-G247 PolarHBondContact O-N 3.44Å |
| 214 | A | 91.5 | Very high | 78.2 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 3% | 0.033 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 136.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W212 L223 V243 R244 S246 L251 | W212-A214 HydrophobicContact CE3-CB 4.29Å; W212-A214 HydrophobicContact CZ3-CB 4.2Å; A214-L223 PolarHBondContact N-O 3.21Å; A214-L223 WeakPolarHBondContact O-CB 3.33Å; A214-L223 PolarHBondContact O-N 3.39Å; A214-V243 HydrophobicContact CB-CG1 4.21Å; A214-R244 CarbonylContact C-O 3.53Å; A214-R244 WeakPolarHBondContact CA-O 3.39Å; A214-S246 PolarHBondContact N-OG 3.41Å; A214-L251 HydrophobicContact CB-CD2 3.62Å |
| 215 | Q | 91.8 | Very high | 79.1 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.1 | 164.5 | -170.3 | 69.7 | 40.5 | 0 | 0 | 109.1 | S219 A220 V243 R244 | Q215-S219 PolarHBondContact NE2-O 3.24Å; Q215-A220 PolarHBondContact NE2-O 2.76Å; Q215-V243 WeakPolarHBondContact O-CA 3.24Å; Q215-R244 HydrophobicContact CB-CB 4.33Å; Q215-R244 PolarHBondContact N-O 2.73Å; Q215-R244 PolarHBondContact O-N 3.26Å |
| 216 | T | 89.4 | Confident | 79.6 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.2 | 177.1 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | F218 S219 L223 Q242 V243 | T216-F218 VanDerWaalsContact C-N 3.29Å; T216-F218 VanDerWaalsContact CB-CE1 3.47Å; T216-F218 HydrophobicContact CG2-CD1 4.48Å; T216-F218 HydrophobicContact CG2-CE1 3.73Å; T216-F218 HydrophobicContact CG2-CZ 3.94Å; T216-F218 PolarHBondContact O-N 3.11Å; T216-S219 WeakPolarHBondContact OG1-CB 3.46Å; T216-S219 PolarHBondContact OG1-N 3.27Å; T216-L223 HydrophobicContact CG2-CD1 3.62Å; T216-Q242 CarbonylContact C-O 3.58Å; T216-Q242 VanDerWaalsContact CA-O 3.24Å; T216-Q242 WeakPolarHBondContact CA-O 3.26Å; T216-V243 HydrophobicContact CG2-CG1 4.33Å; T216-V243 HydrophobicContact CG2-CG2 4.24Å |
| 217 | S | 87.8 | Confident | 80 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.1 | 177 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | T240 L241 Q242 | S217-T240 VanDerWaalsContact CB-O 3.28Å; S217-T240 WeakPolarHBondContact CB-O 3.5Å; S217-T240 PolarHBondContact OG-O 3.4Å; S217-L241 WeakPolarHBondContact OG-CA 3.45Å; S217-Q242 PolarHBondContact N-O 3.27Å; S217-Q242 PolarHBondContact OG-N 3.07Å |
| 218 | F | 81.8 | Confident | 80.8 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -5.3 | -179.4 | 66.4 | -96.5 | 0 | 0 | 0 | 113.7 | T216 L223 L233 Q237 L241 | T216-F218 VanDerWaalsContact C-N 3.29Å; T216-F218 VanDerWaalsContact CB-CE1 3.47Å; T216-F218 HydrophobicContact CG2-CD1 4.48Å; T216-F218 HydrophobicContact CG2-CE1 3.73Å; T216-F218 HydrophobicContact CG2-CZ 3.94Å; T216-F218 PolarHBondContact O-N 3.11Å; F218-L223 HydrophobicContact CZ-CD1 4.24Å; F218-L233 HydrophobicContact CD1-CD2 3.86Å; F218-L233 HydrophobicContact CD2-CD2 4.3Å; F218-L233 HydrophobicContact CE1-CD2 3.86Å; F218-L233 HydrophobicContact CE2-CD2 4.31Å; F218-L233 HydrophobicContact CG-CD2 4.09Å; F218-L233 HydrophobicContact CZ-CD2 4.1Å; F218-Q237 HydrophobicContact CB-CG 4.36Å; F218-L241 HydrophobicContact CD1-CD1 3.56Å; F218-L241 HydrophobicContact CE1-CD1 3.54Å |
| 219 | S | 76.7 | Confident | 81.7 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | trans | -123.2 | 130.5 | 176.4 | -179 | 0 | 0 | 0 | 0 | 110.3 | Q215 T216 E221 | Q215-S219 PolarHBondContact NE2-O 3.24Å; T216-S219 WeakPolarHBondContact OG1-CB 3.46Å; T216-S219 PolarHBondContact OG1-N 3.27Å; S219-E221 VanDerWaalsContact C-N 3.34Å; S219-E221 PolarHBondContact OG-N 2.8Å; S219-E221 PolarHBondContact OG-O 2.71Å | ||
| 220 | A | 76.6 | Confident | 82.8 | Confident | 97 Ų | 97 | 76.6 Ų | 76.6 | 80% | 0.802 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -68.2 | -36.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q215 | Q215-A220 PolarHBondContact NE2-O 2.76Š|
| 221 | E | 83.6 | Confident | 83.5 | Confident | 143 Ų | 143 | 77.7 Ų | 77.7 | 67% | 0.668 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -91.3 | 144.1 | -179.3 | -67 | -64.9 | 156.4 | 0 | 0 | 111.6 | S219 L223 | S219-E221 VanDerWaalsContact C-N 3.34Å; S219-E221 PolarHBondContact OG-N 2.8Å; S219-E221 PolarHBondContact OG-O 2.71Å; E221-L223 PolarHBondContact O-N 2.82Å |
| 222 | P | 85.3 | Confident | 83.6 | Confident | 65 Ų | 65 | 77 Ų | 77 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 132.6 | 168.5 | -16.8 | 26.7 | 0 | 0 | 0 | 110.9 | ||
| 223 | L | 89 | Confident | 83.3 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.6 | 174.1 | -59.3 | 177.7 | 0 | 0 | 0 | 109.1 | W212 Q213 A214 T216 F218 E221 L229 | W212-L223 HydrophobicContact CH2-CB 3.89Å; W212-L223 HydrophobicContact CZ3-CB 3.65Å; W212-L223 WeakPolarHBondContact CZ3-O 3.29Å; Q213-L223 CarbonylContact C-O 3.58Å; Q213-L223 WeakPolarHBondContact CA-O 3.43Å; A214-L223 PolarHBondContact N-O 3.21Å; A214-L223 WeakPolarHBondContact O-CB 3.33Å; A214-L223 PolarHBondContact O-N 3.39Å; T216-L223 HydrophobicContact CG2-CD1 3.62Å; F218-L223 HydrophobicContact CZ-CD1 4.24Å; E221-L223 PolarHBondContact O-N 2.82Å; L223-L229 HydrophobicContact CD1-CD2 3.97Å; L223-L229 HydrophobicContact CD2-CD2 4.49Å |
| 224 | T | 89.8 | Confident | 82.9 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151.1 | 174.8 | 68.7 | 0 | 0 | 0 | 0 | 110.4 | W212 Q213 | W212-T224 WeakPolarHBondContact O-CA 3.46Å; Q213-T224 HydrophobicContact CB-CG2 4.16Å; Q213-T224 HydrophobicContact CG-CG2 3.81Å |
| 225 | G | 83.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 24% | 0.237 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 165.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K211 W212 | K211-G225 WeakPolarHBondContact CA-O 3.14Å; W212-G225 VanDerWaalsContact CD1-O 3.23Å; W212-G225 PolarHBondContact N-O 2.96Å; W212-G225 PolarHBondContact NE1-O 2.88Å; W212-G225 PolarHBondContact O-N 3.45Å; W212-G225 VanDerWaalsContact O-N 3.14Å |
| 226 | E | 80.2 | Confident | 82 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -108.9 | -0.8 | 172.4 | -58.9 | -166.6 | 153.5 | 0 | 0 | 112.4 | G210 K211 | G210-E226 PolarHBondContact N-O 3.14Å; G210-E226 VanDerWaalsContact N-O 3.1Å; G210-E226 CarbonylContact O-C 3.58Å; G210-E226 WeakPolarHBondContact O-CA 3.32Å; K211-E226 WeakPolarHBondContact CE-OE1 3.44Å; K211-E226 HydrophobicContact CG-CG 4.12Å |
| 227 | K | 73 | Confident | 81.8 | Confident | 134 Ų | 134 | 86 Ų | 86 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -136.4 | 161.2 | -179 | -62.7 | -167.6 | 173.4 | -150.4 | 0 | 110.4 | D207 W212 L229 | D207-K227 IonicContact OD1-NZ 2.78Å; D207-K227 PolarHBondContact OD1-NZ 3.14Å; W212-K227 PolarHBondContact NE1-O 3.3Å; K227-L229 PolarHBondContact O-N 2.84Å |
| 228 | T | 73.7 | Confident | 81.7 | Confident | 107 Ų | 107 | 86.5 Ų | 86.5 | 66% | 0.656 | 49% | 0.486 | S | S | * | . | trans | -53.3 | 134.9 | 174.8 | -51.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 229 | L | 79.3 | Confident | 81.8 | Confident | 88 Ų | 88 | 87.6 Ų | 87.6 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | trans | -107.7 | 120.3 | 173.2 | 175.6 | 67.1 | 0 | 0 | 0 | 110.2 | W212 L223 K227 | W212-L229 HydrophobicContact CH2-CB 3.87Å; W212-L229 HydrophobicContact CH2-CD2 3.64Å; W212-L229 HydrophobicContact CH2-CG 4.39Å; W212-L229 HydrophobicContact CZ2-CB 3.59Å; W212-L229 HydrophobicContact CZ2-CD2 4.21Å; L223-L229 HydrophobicContact CD1-CD2 3.97Å; L223-L229 HydrophobicContact CD2-CD2 4.49Å; K227-L229 PolarHBondContact O-N 2.84Å | ||
| 230 | N | 82 | Confident | 82.3 | Confident | 147 Ų | 147 | 90.2 Ų | 90.2 | 79% | 0.786 | 52% | 0.522 | S | S | * | . | trans | -98.7 | 128.4 | 170.9 | -64.7 | -40.5 | 0 | 0 | 0 | 109.5 | ||||
| 231 | S | 80.7 | Confident | 82.9 | Confident | 60 Ų | 60 | 87.7 Ų | 87.7 | 42% | 0.42 | 50% | 0.495 | S | S | . | . | trans | -129.9 | 126.9 | 177.5 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 232 | N | 82.4 | Confident | 83.2 | Confident | 138 Ų | 138 | 88 Ų | 88 | 74% | 0.738 | 50% | 0.496 | S | S | * | . | trans | -80.8 | 123 | 172.2 | -68 | -38.2 | 0 | 0 | 0 | 109.2 | ||||
| 233 | L | 81.3 | Confident | 83.4 | Confident | 54 Ų | 54 | 87.4 Ų | 87.4 | 28% | 0.283 | 49% | 0.491 | S | S | . | . | trans | -106.4 | 137.9 | 176.8 | -57.1 | 177.3 | 0 | 0 | 0 | 109.6 | F218 Q237 L238 L241 | F218-L233 HydrophobicContact CD1-CD2 3.86Å; F218-L233 HydrophobicContact CD2-CD2 4.3Å; F218-L233 HydrophobicContact CE1-CD2 3.86Å; F218-L233 HydrophobicContact CE2-CD2 4.31Å; F218-L233 HydrophobicContact CG-CD2 4.09Å; F218-L233 HydrophobicContact CZ-CD2 4.1Å; L233-Q237 HydrophobicContact CB-CB 4.19Å; L233-Q237 HydrophobicContact CD2-CB 4.18Å; L233-L238 HydrophobicContact CB-CB 4.48Å; L233-L238 HydrophobicContact CD1-CD1 4.35Å; L233-L241 HydrophobicContact CD1-CD1 4.1Å; L233-L241 HydrophobicContact CD1-CD2 3.81Å; L233-L241 HydrophobicContact CD1-CG 4.44Å | ||
| 234 | N | 81.6 | Confident | 83.6 | Confident | 82 Ų | 82 | 94.7 Ų | 94.7 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | trans | -80.3 | 176.4 | 167 | 68.8 | 32.7 | 0 | 0 | 0 | 111.1 | D236 Q237 L238 | N234-D236 VanDerWaalsContact C-N 3.27Å; N234-D236 PolarHBondContact O-N 3.01Å; N234-D236 PolarHBondContact OD1-N 3.34Å; N234-Q237 PolarHBondContact ND2-OE1 2.64Å; N234-Q237 PolarHBondContact O-N 3.46Å; N234-Q237 WeakPolarHBondContact OD1-CB 3.37Å; N234-Q237 WeakPolarHBondContact OD1-CG 3.2Å; N234-Q237 PolarHBondContact OD1-N 3.1Å; N234-L238 WeakPolarHBondContact O-CB 3.46Å; N234-L238 PolarHBondContact O-N 3.01Å | ||
| 235 | S | 80.9 | Confident | 83.6 | Confident | 91 Ų | 91 | 93.3 Ų | 93.3 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.1 | -39.8 | -179.8 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | A239 | S235-A239 VanDerWaalsContact O-CB 3.3Å; S235-A239 WeakPolarHBondContact O-CB 3.39Å; S235-A239 PolarHBondContact O-N 3.43Å |
| 236 | D | 82.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 94.9 Ų | 94.9 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.4 | -38.3 | -173.7 | -57.5 | -14.4 | 0 | 0 | 0 | 111.4 | N234 T240 | N234-D236 VanDerWaalsContact C-N 3.27Å; N234-D236 PolarHBondContact O-N 3.01Å; N234-D236 PolarHBondContact OD1-N 3.34Å; D236-T240 PolarHBondContact O-N 3.26Å; D236-T240 PolarHBondContact O-OG1 3.27Å |
| 237 | Q | 86.7 | Confident | 84.1 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 29% | 0.29 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 173.5 | -70.7 | 173.3 | -46 | 0 | 0 | 111.4 | F218 L233 N234 T240 L241 | F218-Q237 HydrophobicContact CB-CG 4.36Å; L233-Q237 HydrophobicContact CB-CB 4.19Å; L233-Q237 HydrophobicContact CD2-CB 4.18Å; N234-Q237 PolarHBondContact ND2-OE1 2.64Å; N234-Q237 PolarHBondContact O-N 3.46Å; N234-Q237 WeakPolarHBondContact OD1-CB 3.37Å; N234-Q237 WeakPolarHBondContact OD1-CG 3.2Å; N234-Q237 PolarHBondContact OD1-N 3.1Å; Q237-T240 CarbonylContact O-C 3.59Å; Q237-T240 PolarHBondContact O-N 3.41Å; Q237-T240 PolarHBondContact O-OG1 3.23Å; Q237-L241 PolarHBondContact O-N 2.68Å |
| 238 | L | 85 | Confident | 84.6 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.6 | -176.8 | 64.5 | 0 | 0 | 0 | 111.1 | L233 N234 T240 L241 V255 A257 | L233-L238 HydrophobicContact CB-CB 4.48Å; L233-L238 HydrophobicContact CD1-CD1 4.35Å; N234-L238 WeakPolarHBondContact O-CB 3.46Å; N234-L238 PolarHBondContact O-N 3.01Å; L238-T240 PolarHBondContact O-N 3.09Å; L238-L241 HydrophobicContact CD1-CD2 4.4Å; L238-L241 WeakPolarHBondContact O-CB 3.28Å; L238-L241 PolarHBondContact O-N 3Å; L238-V255 HydrophobicContact CD1-CG1 3.57Å; L238-A257 HydrophobicContact CD2-CB 3.91Å |
| 239 | A | 84.6 | Confident | 84.6 | Confident | 88 Ų | 88 | 91.1 Ų | 91.1 | 73% | 0.727 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -23.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S235 | S235-A239 VanDerWaalsContact O-CB 3.3Å; S235-A239 WeakPolarHBondContact O-CB 3.39Å; S235-A239 PolarHBondContact O-N 3.43Å |
| 240 | T | 87.1 | Confident | 84.2 | Confident | 87 Ų | 87 | 90.6 Ų | 90.6 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 8.6 | -178.4 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | S217 D236 Q237 L238 Q242 | S217-T240 VanDerWaalsContact CB-O 3.28Å; S217-T240 WeakPolarHBondContact CB-O 3.5Å; S217-T240 PolarHBondContact OG-O 3.4Å; D236-T240 PolarHBondContact O-N 3.26Å; D236-T240 PolarHBondContact O-OG1 3.27Å; Q237-T240 CarbonylContact O-C 3.59Å; Q237-T240 PolarHBondContact O-N 3.41Å; Q237-T240 PolarHBondContact O-OG1 3.23Å; L238-T240 PolarHBondContact O-N 3.09Å; T240-Q242 PolarHBondContact O-N 3.25Å |
| 241 | L | 88.8 | Confident | 83.9 | Confident | 43 Ų | 43 | 85.9 Ų | 85.9 | 23% | 0.225 | 48% | 0.478 | C | S | . | . | trans | -65.5 | 117.1 | -173.3 | -178.4 | 64.3 | 0 | 0 | 0 | 111.8 | S217 F218 L233 Q237 L238 V243 V255 | S217-L241 WeakPolarHBondContact OG-CA 3.45Å; F218-L241 HydrophobicContact CD1-CD1 3.56Å; F218-L241 HydrophobicContact CE1-CD1 3.54Å; L233-L241 HydrophobicContact CD1-CD1 4.1Å; L233-L241 HydrophobicContact CD1-CD2 3.81Å; L233-L241 HydrophobicContact CD1-CG 4.44Å; Q237-L241 PolarHBondContact O-N 2.68Å; L238-L241 HydrophobicContact CD1-CD2 4.4Å; L238-L241 WeakPolarHBondContact O-CB 3.28Å; L238-L241 PolarHBondContact O-N 3Å; L241-V243 HydrophobicContact CD1-CG2 3.91Å; L241-V243 HydrophobicContact CG-CG2 4.18Å; L241-V255 HydrophobicContact CD2-CG1 4.46Å; L241-V255 HydrophobicContact CD2-CG2 3.88Å | ||
| 242 | Q | 90.1 | Very high | 83.5 | Confident | 150 Ų | 150 | 91.9 Ų | 91.9 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | trans | -122.8 | 135.9 | 164.8 | -63.8 | -174.5 | -5.4 | 0 | 0 | 108.2 | T216 S217 T240 | T216-Q242 CarbonylContact C-O 3.58Å; T216-Q242 VanDerWaalsContact CA-O 3.24Å; T216-Q242 WeakPolarHBondContact CA-O 3.26Å; S217-Q242 PolarHBondContact N-O 3.27Å; S217-Q242 PolarHBondContact OG-N 3.07Å; T240-Q242 PolarHBondContact O-N 3.25Å | ||
| 243 | V | 89.8 | Confident | 83.1 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.3 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | A214 Q215 T216 L241 L251 L253 | A214-V243 HydrophobicContact CB-CG1 4.21Å; Q215-V243 WeakPolarHBondContact O-CA 3.24Å; T216-V243 HydrophobicContact CG2-CG1 4.33Å; T216-V243 HydrophobicContact CG2-CG2 4.24Å; L241-V243 HydrophobicContact CD1-CG2 3.91Å; L241-V243 HydrophobicContact CG-CG2 4.18Å; V243-L251 HydrophobicContact CG1-CD2 4.04Å; V243-L253 HydrophobicContact CB-CD1 4.34Å; V243-L253 HydrophobicContact CB-CD2 4.45Å; V243-L253 HydrophobicContact CG1-CD1 4.02Å; V243-L253 HydrophobicContact CG2-CD1 3.93Å; V243-L253 HydrophobicContact CG2-CD2 3.9Å |
| 244 | R | 91.6 | Very high | 82.7 | Confident | 191 Ų | 191 | 96.9 Ų | 96.9 | 72% | 0.721 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.2 | 173.8 | 179.9 | 180 | 178.6 | -179.9 | 0 | 108.7 | A214 Q215 S246 | A214-R244 CarbonylContact C-O 3.53Å; A214-R244 WeakPolarHBondContact CA-O 3.39Å; Q215-R244 HydrophobicContact CB-CB 4.33Å; Q215-R244 PolarHBondContact N-O 2.73Å; Q215-R244 PolarHBondContact O-N 3.26Å; R244-S246 PolarHBondContact O-N 3.39Å |
| 245 | N | 90.6 | Very high | 82.5 | Confident | 66 Ų | 66 | 96.5 Ų | 96.5 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 121.9 | 169.3 | -174.3 | 4.2 | 0 | 0 | 0 | 109 | Q213 G247 Q249 L251 | Q213-N245 PolarHBondContact O-OD1 3.29Å; Q213-N245 VanDerWaalsContact O-OD1 3.11Å; N245-G247 PolarHBondContact OD1-N 2.83Å; N245-Q249 PolarHBondContact ND2-O 2.87Å; N245-L251 HydrophobicContact CB-CB 4.07Å; N245-L251 HydrophobicContact CB-CD2 4.25Å; N245-L251 PolarHBondContact ND2-N 3.28Å |
| 246 | S | 89.5 | Confident | 81.9 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | trans | -111.2 | 3.1 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | Q213 A214 R244 | Q213-S246 VanDerWaalsContact CB-OG 3.3Å; Q213-S246 WeakPolarHBondContact CB-OG 3.44Å; Q213-S246 PolarHBondContact O-N 2.65Å; Q213-S246 PolarHBondContact O-OG 2.57Å; A214-S246 PolarHBondContact N-OG 3.41Å; R244-S246 PolarHBondContact O-N 3.39Å | ||
| 247 | G | 85.1 | Confident | 81.3 | Confident | 28 Ų | 28 | 95.7 Ų | 95.7 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -93.4 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q213 N245 | Q213-G247 PolarHBondContact O-N 3.44Å; N245-G247 PolarHBondContact OD1-N 2.83Å |
| 248 | D | 82.5 | Confident | 80.5 | Confident | 141 Ų | 141 | 98.8 Ų | 98.8 | 75% | 0.754 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -93.6 | -8.4 | 176.4 | 63.7 | -23.1 | 0 | 0 | 0 | 113.6 | ||
| 249 | Q | 75 | Confident | 79.7 | Confident | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -103.9 | 154 | 175.6 | -59.3 | -57.5 | -45.3 | 0 | 0 | 111.4 | N245 L251 | N245-Q249 PolarHBondContact ND2-O 2.87Å; Q249-L251 PolarHBondContact O-N 2.92Å |
| 250 | P | 70.6 | Confident | 78.7 | Confident | 77 Ų | 77 | 105.5 Ų | 105.5 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | trans | -55.1 | 138.9 | 169.1 | -22 | 32.6 | 0 | 0 | 0 | 111.5 | W252 | P250-W252 HydrophobicContact CB-CH2 3.78Å; P250-W252 HydrophobicContact CB-CZ2 3.94Å; P250-W252 HydrophobicContact CB-CZ3 4.13Å; P250-W252 HydrophobicContact CG-CH2 4.26Å; P250-W252 WeakPolarHBondContact O-CZ3 3.36Å | ||
| 251 | L | 74.7 | Confident | 77.8 | Confident | 48 Ų | 48 | 105.4 Ų | 105.4 | 25% | 0.251 | 56% | 0.556 | S | S | . | * | trans | -109.5 | 119.8 | 175 | 177.3 | 72.7 | 0 | 0 | 0 | 108.6 | W212 A214 V243 N245 Q249 | W212-L251 HydrophobicContact CB-CD1 4Å; W212-L251 HydrophobicContact CD2-CD1 4.38Å; W212-L251 HydrophobicContact CE3-CD1 4.15Å; W212-L251 HydrophobicContact CG-CD1 4.34Å; A214-L251 HydrophobicContact CB-CD2 3.62Å; V243-L251 HydrophobicContact CG1-CD2 4.04Å; N245-L251 HydrophobicContact CB-CB 4.07Å; N245-L251 HydrophobicContact CB-CD2 4.25Å; N245-L251 PolarHBondContact ND2-N 3.28Å; Q249-L251 PolarHBondContact O-N 2.92Å | ||
| 252 | W | 72.9 | Confident | 77 | Confident | 186 Ų | 186 | 113.4 Ų | 113.4 | 71% | 0.705 | 59% | 0.593 | S | S | * | * | trans | -92.4 | 123.4 | 173.8 | -62.8 | -96.3 | 0 | 0 | 0 | 109.8 | P250 | P250-W252 HydrophobicContact CB-CH2 3.78Å; P250-W252 HydrophobicContact CB-CZ2 3.94Å; P250-W252 HydrophobicContact CB-CZ3 4.13Å; P250-W252 HydrophobicContact CG-CH2 4.26Å; P250-W252 WeakPolarHBondContact O-CZ3 3.36Å | ||
| 253 | L | 75 | Confident | 76.3 | Confident | 96 Ų | 96 | 110.4 Ų | 110.4 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | trans | -112.2 | 132.7 | 179 | -161.2 | 90.1 | 0 | 0 | 0 | 109.7 | V243 V255 | V243-L253 HydrophobicContact CB-CD1 4.34Å; V243-L253 HydrophobicContact CB-CD2 4.45Å; V243-L253 HydrophobicContact CG1-CD1 4.02Å; V243-L253 HydrophobicContact CG2-CD1 3.93Å; V243-L253 HydrophobicContact CG2-CD2 3.9Å; L253-V255 HydrophobicContact CD2-CG2 3.6Å; L253-V255 HydrophobicContact CG-CG2 4.21Å | ||
| 254 | R | 72.2 | Confident | 75.2 | Confident | 201 Ų | 201 | 112.3 Ų | 112.3 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | trans | -119.6 | 128.7 | 167.1 | -177.2 | 176.7 | 171 | 162.3 | 2 | 108.8 | D256 | R254-D256 WeakPolarHBondContact CD-OD2 3.32Å; R254-D256 WeakPolarHBondContact CG-OD2 3.21Å; R254-D256 IonicContact CZ-OD1 3.11Å; R254-D256 VanDerWaalsContact CZ-OD1 3.31Å; R254-D256 IonicContact CZ-OD2 2.69Å; R254-D256 VanDerWaalsContact NE-CG 3.25Å; R254-D256 IonicContact NE-OD1 3.97Å; R254-D256 PolarHBondContact NE-OD1 3.01Å; R254-D256 IonicContact NE-OD2 3.49Å; R254-D256 PolarHBondContact NE-OD2 2.73Å; R254-D256 IonicContact NH2-OD1 3.53Å; R254-D256 PolarHBondContact NH2-OD1 3.38Å; R254-D256 IonicContact NH2-OD2 3.99Å | ||
| 255 | V | 76.4 | Confident | 74.3 | Confident | 73 Ų | 73 | 108.2 Ų | 108.2 | 44% | 0.442 | 61% | 0.608 | S | S | . | * | trans | -122.7 | 106.8 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | L238 L241 L253 | L238-V255 HydrophobicContact CD1-CG1 3.57Å; L241-V255 HydrophobicContact CD2-CG1 4.46Å; L241-V255 HydrophobicContact CD2-CG2 3.88Å; L253-V255 HydrophobicContact CD2-CG2 3.6Å; L253-V255 HydrophobicContact CG-CG2 4.21Å | ||
| 256 | D | 68.7 | Low | 73.8 | Confident | 113 Ų | 113 | 112.6 Ų | 112.6 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | trans | -93.8 | 108.1 | 173.2 | -62.1 | -76.7 | 0 | 0 | 0 | 108.9 | R254 | R254-D256 WeakPolarHBondContact CD-OD2 3.32Å; R254-D256 WeakPolarHBondContact CG-OD2 3.21Å; R254-D256 IonicContact CZ-OD1 3.11Å; R254-D256 VanDerWaalsContact CZ-OD1 3.31Å; R254-D256 IonicContact CZ-OD2 2.69Å; R254-D256 VanDerWaalsContact NE-CG 3.25Å; R254-D256 IonicContact NE-OD1 3.97Å; R254-D256 PolarHBondContact NE-OD1 3.01Å; R254-D256 IonicContact NE-OD2 3.49Å; R254-D256 PolarHBondContact NE-OD2 2.73Å; R254-D256 IonicContact NH2-OD1 3.53Å; R254-D256 PolarHBondContact NH2-OD1 3.38Å; R254-D256 IonicContact NH2-OD2 3.99Å | ||
| 257 | A | 71.1 | Confident | 73.4 | Confident | 76 Ų | 76 | 115.8 Ų | 115.8 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | trans | -101 | 120.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L238 | L238-A257 HydrophobicContact CD2-CB 3.91Š| ||
| 258 | S | 69 | Low | 73.2 | Confident | 127 Ų | 127 | 119 Ų | 119 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -113.4 | 139.2 | 168.9 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 259 | G | 67.9 | Low | 73.3 | Confident | 69 Ų | 69 | 116.7 Ų | 116.7 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | trans | -163.3 | 154.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 260 | Y | 63 | Low | 73.4 | Confident | 229 Ų | 229 | 118.5 Ų | 118.5 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | trans | -92.4 | 127.6 | 171.1 | -64.6 | -83.1 | 0 | 0 | 0 | 108.1 | ||||
| 261 | P | 69.1 | Low | 74.1 | Confident | 85 Ų | 85 | 117.5 Ų | 117.5 | 55% | 0.552 | 67% | 0.667 | S | S | * | * | trans | -64.1 | 140.8 | 175 | 30.8 | -35.5 | 0 | 0 | 0 | 108.9 | S263 | P261-S263 VanDerWaalsContact CB-O 3.27Å; P261-S263 WeakPolarHBondContact CB-O 2.91Å; P261-S263 WeakPolarHBondContact CG-O 2.96Å; P261-S263 PolarHBondContact O-N 3.41Å | ||
| 262 | Q | 71.8 | Confident | 74.8 | Confident | 211 Ų | 211 | 118.2 Ų | 118.2 | 99% | 0.986 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -66.1 | -21.6 | 177.5 | -69.4 | -169.1 | -7.5 | 0 | 0 | 112.5 | ||
| 263 | S | 76 | Confident | 75.7 | Confident | 88 Ų | 88 | 112.5 Ų | 112.5 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -120 | 146.3 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | P261 | P261-S263 VanDerWaalsContact CB-O 3.27Å; P261-S263 WeakPolarHBondContact CB-O 2.91Å; P261-S263 WeakPolarHBondContact CG-O 2.96Å; P261-S263 PolarHBondContact O-N 3.41Å |
| 264 | A | 66.8 | Low | 76.5 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 76% | 0.76 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 134.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 265 | P | 73 | Confident | 77.5 | Confident | 104 Ų | 104 | 106 Ų | 106 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 149 | 175.2 | 24.8 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 266 | L | 79.9 | Confident | 78.2 | Confident | 159 Ų | 159 | 108.1 Ų | 108.1 | 83% | 0.832 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.4 | 173.5 | -68.7 | 171.2 | 0 | 0 | 0 | 109.8 | A268 | L266-A268 PolarHBondContact O-N 3.41Š|
| 267 | P | 80.7 | Confident | 79.3 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 79% | 0.786 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.7 | 171.9 | -24.7 | 33.5 | 0 | 0 | 0 | 111 | ||
| 268 | A | 80.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 103 Ų | 103 | 79% | 0.793 | 59% | 0.589 | S | S | * | * | trans | -130.3 | 141.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L266 | L266-A268 PolarHBondContact O-N 3.41Š| ||
| 269 | N | 83.8 | Confident | 81.1 | Confident | 93 Ų | 93 | 97.7 Ų | 97.7 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | trans | -130.2 | 131.4 | -173.4 | -39.7 | -2.6 | 0 | 0 | 0 | 107.3 | Q273 | N269-Q273 HydrophobicContact CB-CB 4.41Š| ||
| 270 | N | 77.5 | Confident | 81.9 | Confident | 144 Ų | 144 | 94.5 Ų | 94.5 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -144.3 | 106.6 | 171.2 | -177 | 19.3 | 0 | 0 | 0 | 108.5 | L272 | N270-L272 PolarHBondContact N-O 3Å; N270-L272 PolarHBondContact O-N 3.27Å |
| 271 | V | 85.6 | Confident | 82.6 | Confident | 57 Ų | 57 | 87.7 Ų | 87.7 | 35% | 0.345 | 50% | 0.5 | S | S | . | . | S | Bend | trans | 62.8 | -50.8 | -166 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | A305 S306 N307 V309 | V271-A305 CarbonylContact O-C 3.55Å; V271-A305 VanDerWaalsContact O-CA 3.22Å; V271-A305 WeakPolarHBondContact O-CA 3.46Å; V271-S306 PolarHBondContact O-N 3.44Å; V271-N307 HydrophobicContact CG1-CB 4.25Å; V271-V309 HydrophobicContact CG1-CG2 3.81Å |
| 272 | L | 89.2 | Confident | 82.9 | Confident | 63 Ų | 63 | 88 Ų | 88 | 33% | 0.33 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 139.6 | 177.8 | -67.4 | 164.7 | 0 | 0 | 0 | 111.4 | N270 V303 K304 A305 V309 A312 V371 | N270-L272 PolarHBondContact N-O 3Å; N270-L272 PolarHBondContact O-N 3.27Å; L272-V303 HydrophobicContact CD2-CG1 4.39Å; L272-K304 CarbonylContact C-O 3.52Å; L272-K304 WeakPolarHBondContact CA-O 3.46Å; L272-A305 HydrophobicContact CD2-CB 3.9Å; L272-V309 HydrophobicContact CD2-CB 4.41Å; L272-V309 HydrophobicContact CD2-CG2 4.11Å; L272-V309 HydrophobicContact CG-CG2 4.42Å; L272-A312 HydrophobicContact CD1-CB 4.25Å; L272-A312 HydrophobicContact CD2-CB 4.13Å; L272-V371 HydrophobicContact CD2-CG2 4.44Å |
| 273 | Q | 92 | Very high | 83.2 | Confident | 65 Ų | 65 | 78 Ų | 78 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.9 | 170 | 174.8 | 177.4 | -3.1 | 0 | 0 | 108.6 | N269 E275 V303 K304 | N269-Q273 HydrophobicContact CB-CB 4.41Å; Q273-E275 PolarHBondContact NE2-OE1 3.31Å; Q273-V303 CarbonylContact O-C 3.43Å; Q273-V303 WeakPolarHBondContact O-CA 3.46Å; Q273-K304 HydrophobicContact CB-CB 4.33Å; Q273-K304 PolarHBondContact N-O 3.18Å; Q273-K304 PolarHBondContact O-N 3.3Å |
| 274 | I | 92.2 | Very high | 83.6 | Confident | 88 Ų | 88 | 80.7 Ų | 80.7 | 45% | 0.451 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.1 | 176.9 | -171.7 | 166.7 | 0 | 0 | 0 | 110.7 | Q302 V303 V314 | I274-Q302 WeakPolarHBondContact CA-O 3.47Å; I274-V303 HydrophobicContact CD1-CG2 4.12Å; I274-V303 HydrophobicContact CG1-CG2 4.12Å; I274-V314 HydrophobicContact CD1-CG1 3.6Å |
| 275 | E | 92.3 | Very high | 84.6 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 35% | 0.346 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140 | 175.5 | -72.8 | 173.7 | -160.8 | 0 | 0 | 110 | Q273 L301 Q302 | Q273-E275 PolarHBondContact NE2-OE1 3.31Å; E275-L301 VanDerWaalsContact O-CA 3.31Å; E275-L301 WeakPolarHBondContact O-CA 3.36Å; E275-Q302 PolarHBondContact N-O 3.26Å; E275-Q302 PolarHBondContact O-N 3.19Å |
| 276 | R | 91 | Very high | 85.1 | Confident | 117 Ų | 117 | 79.1 Ų | 79.1 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.4 | -179.7 | -180 | 175 | 66.7 | -165 | 2.5 | 111 | V299 W300 L301 D316 L317 | R276-V299 HydrophobicContact CG-CG1 3.87Å; R276-W300 WeakPolarHBondContact CA-O 3.37Å; R276-L301 HydrophobicContact CB-CD2 3.73Å; R276-L301 HydrophobicContact CG-CD2 3.75Å; R276-D316 IonicContact CZ-OD1 3.98Å; R276-D316 IonicContact NH1-OD1 3.89Å; R276-D316 PolarHBondContact NH1-OD1 3Å; R276-L317 PolarHBondContact NH1-O 2.95Å |
| 277 | H | 92.4 | Very high | 85.3 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 29% | 0.292 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.7 | 174.3 | -53.6 | -80.8 | 0 | 0 | 0 | 110 | W300 | H277-W300 HydrophobicContact CB-CB 4.31Å; H277-W300 HydrophobicContact CB-CD2 4.24Å; H277-W300 HydrophobicContact CB-CE3 3.65Å; H277-W300 HydrophobicContact CB-CZ3 4.34Å; H277-W300 AromaticContact CD2-CD2 3.73Å; H277-W300 AromaticContact CD2-CE3 3.51Å; H277-W300 AromaticContact CD2-CZ3 3.75Å; H277-W300 AromaticContact CG-CE3 3.67Å; H277-W300 AromaticContact CG-CZ3 3.96Å; H277-W300 PolarHBondContact N-O 3.44Å; H277-W300 PolarHBondContact O-N 2.86Å |
| 278 | I | 89 | Confident | 85.3 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.1 | 175.1 | -60.9 | -175.9 | 0 | 0 | 0 | 108 | S285 K286 L288 V297 | I278-S285 WeakPolarHBondContact O-CA 3.48Å; I278-K286 PolarHBondContact O-N 3.31Å; I278-L288 HydrophobicContact CD1-CD1 4Å; I278-L288 HydrophobicContact CD1-CD2 3.41Å; I278-L288 VanDerWaalsContact CD1-CD2 3.41Å; I278-L288 HydrophobicContact CD1-CG 3.64Å; I278-V297 HydrophobicContact CG2-CB 3.89Å; I278-V297 HydrophobicContact CG2-CG1 4.02Å; I278-V297 HydrophobicContact CG2-CG2 4.31Å |
| 279 | L | 89.4 | Confident | 85.2 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.7 | -177.6 | -52.3 | 179.9 | 0 | 0 | 0 | 109.8 | K284 V297 L298 W300 L346 | L279-K284 CarbonylContact C-O 3.52Å; L279-K284 VanDerWaalsContact CA-O 3.28Å; L279-K284 WeakPolarHBondContact CA-O 3.16Å; L279-V297 CarbonylContact O-C 3.6Å; L279-V297 WeakPolarHBondContact O-CA 3.32Å; L279-L298 HydrophobicContact CB-CB 4.36Å; L279-L298 HydrophobicContact CB-CD2 4.44Å; L279-L298 HydrophobicContact CD1-CD2 3.99Å; L279-L298 PolarHBondContact N-O 3.31Å; L279-L298 PolarHBondContact O-N 3.1Å; L279-W300 HydrophobicContact CD1-CE3 4.34Å; L279-L346 HydrophobicContact CD1-CD1 3.72Å |
| 280 | G | 84.3 | Confident | 85 | Confident | 3 Ų | 3 | 73.8 Ų | 73.8 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 171.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111 | D282 G283 K284 | G280-D282 PolarHBondContact O-N 3.1Å; G280-D282 VanDerWaalsContact O-N 3.12Å; G280-G283 PolarHBondContact O-N 3.03Å; G280-K284 PolarHBondContact N-O 3.48Å |
| 281 | T | 76.7 | Confident | 85 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.1 | 172.3 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | G283 L296 S339 | T281-G283 VanDerWaalsContact C-N 3.34Å; T281-L296 HydrophobicContact CG2-CB 3.88Å; T281-S339 WeakPolarHBondContact O-CB 3.43Å |
| 282 | D | 77.2 | Confident | 84.6 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.6 | 173.8 | 66.8 | -16.5 | 0 | 0 | 0 | 113.6 | G280 K284 | G280-D282 PolarHBondContact O-N 3.1Å; G280-D282 VanDerWaalsContact O-N 3.12Å; D282-K284 VanDerWaalsContact C-N 3.28Å; D282-K284 PolarHBondContact O-N 3.27Å; D282-K284 PolarHBondContact OD1-N 2.78Å; D282-K284 VanDerWaalsContact OD1-N 3.1Å; D282-K284 WeakPolarHBondContact OD2-CD 3.29Å |
| 283 | G | 76.8 | Confident | 84 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | S | Bend | trans | 83.2 | -7.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G280 T281 | G280-G283 PolarHBondContact O-N 3.03Å; T281-G283 VanDerWaalsContact C-N 3.34Å |
| 284 | K | 84.2 | Confident | 83 | Confident | 144 Ų | 144 | 74.7 Ų | 74.7 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -85.5 | 150.4 | -178.2 | -64 | -177 | -176 | 170.4 | 0 | 111.6 | L279 G280 D282 K286 | L279-K284 CarbonylContact C-O 3.52Å; L279-K284 VanDerWaalsContact CA-O 3.28Å; L279-K284 WeakPolarHBondContact CA-O 3.16Å; G280-K284 PolarHBondContact N-O 3.48Å; D282-K284 VanDerWaalsContact C-N 3.28Å; D282-K284 PolarHBondContact O-N 3.27Å; D282-K284 PolarHBondContact OD1-N 2.78Å; D282-K284 VanDerWaalsContact OD1-N 3.1Å; D282-K284 WeakPolarHBondContact OD2-CD 3.29Å; K284-K286 PolarHBondContact O-N 3.05Å |
| 285 | S | 87.6 | Confident | 82.5 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 75% | 0.748 | 39% | 0.387 | S | S | * | . | B | Isolated β-bridge | trans | -59 | 132.2 | 175.2 | -172 | 0 | 0 | 0 | 0 | 111.6 | I278 | I278-S285 WeakPolarHBondContact O-CA 3.48Å |
| 286 | K | 85.2 | Confident | 82.2 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 24% | 0.243 | 38% | 0.38 | C | S | . | . | trans | -125.6 | 127.9 | -178.5 | -162 | 170.5 | -176.9 | -167.8 | 0 | 110 | I278 K284 L291 D295 V297 | I278-K286 PolarHBondContact O-N 3.31Å; K284-K286 PolarHBondContact O-N 3.05Å; K286-L291 HydrophobicContact CD-CD2 3.76Å; K286-L291 HydrophobicContact CG-CD2 4.11Å; K286-D295 IonicContact NZ-OD2 2.84Å; K286-D295 PolarHBondContact NZ-OD2 3.31Å; K286-V297 HydrophobicContact CD-CG1 4.35Å | ||
| 287 | S | 84.4 | Confident | 82.1 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 44% | 0.441 | 36% | 0.359 | S | S | . | . | trans | -74.4 | 139.1 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | D289 S290 | S287-D289 PolarHBondContact O-N 3.49Å; S287-D289 PolarHBondContact OG-N 3.46Å; S287-S290 PolarHBondContact O-N 3.42Å; S287-S290 PolarHBondContact O-OG 3.49Å | ||
| 288 | L | 80.5 | Confident | 81.9 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -55.9 | -36.6 | 172.3 | -73.9 | 173 | 0 | 0 | 0 | 112 | I278 S290 L291 P319 L322 | I278-L288 HydrophobicContact CD1-CD1 4Å; I278-L288 HydrophobicContact CD1-CD2 3.41Å; I278-L288 VanDerWaalsContact CD1-CD2 3.41Å; I278-L288 HydrophobicContact CD1-CG 3.64Å; L288-S290 PolarHBondContact O-N 3.08Å; L288-S290 VanDerWaalsContact O-N 3.14Å; L288-L291 HydrophobicContact CD2-CD1 3.71Å; L288-L291 WeakPolarHBondContact O-CB 3.07Å; L288-L291 PolarHBondContact O-N 2.92Å; L288-P319 HydrophobicContact CD1-CB 4.19Å; L288-P319 HydrophobicContact CD1-CG 4.13Å; L288-P319 HydrophobicContact CD2-CB 4.4Å; L288-P319 HydrophobicContact CD2-CG 4.4Å; L288-L322 HydrophobicContact CD2-CD1 3.93Å |
| 289 | D | 77.3 | Confident | 82 | Confident | 159 Ų | 159 | 61.7 Ų | 61.7 | 85% | 0.85 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -67.1 | -15.6 | -179.3 | -54.7 | -33.1 | 0 | 0 | 0 | 113 | S287 | S287-D289 PolarHBondContact O-N 3.49Å; S287-D289 PolarHBondContact OG-N 3.46Å |
| 290 | S | 80.3 | Confident | 82.2 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -96.5 | -3.9 | -179.4 | 72.8 | 0 | 0 | 0 | 0 | 114 | S287 L288 | S287-S290 PolarHBondContact O-N 3.42Å; S287-S290 PolarHBondContact O-OG 3.49Å; L288-S290 PolarHBondContact O-N 3.08Å; L288-S290 VanDerWaalsContact O-N 3.14Å |
| 291 | L | 78.5 | Confident | 82.6 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 134.3 | -173.9 | -63.4 | 179.4 | 0 | 0 | 0 | 112.3 | K286 L288 D295 V297 L322 A385 | K286-L291 HydrophobicContact CD-CD2 3.76Å; K286-L291 HydrophobicContact CG-CD2 4.11Å; L288-L291 HydrophobicContact CD2-CD1 3.71Å; L288-L291 WeakPolarHBondContact O-CB 3.07Å; L288-L291 PolarHBondContact O-N 2.92Å; L291-D295 HydrophobicContact CD2-CB 4.2Å; L291-V297 HydrophobicContact CD1-CG1 4.11Å; L291-V297 HydrophobicContact CD2-CG1 3.42Å; L291-V297 VanDerWaalsContact CD2-CG1 3.42Å; L291-V297 HydrophobicContact CG-CG1 4.44Å; L291-L322 HydrophobicContact CD1-CD2 3.95Å; L291-A385 HydrophobicContact CB-CB 4.22Å |
| 292 | R | 76.9 | Confident | 83.5 | Confident | 194 Ų | 194 | 61.3 Ų | 61.3 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 151.7 | 171.4 | -61.4 | 177.6 | -178 | 174.6 | 1.5 | 109.8 | G294 D295 A385 | R292-G294 PolarHBondContact O-N 2.92Å; R292-D295 PolarHBondContact N-OD2 3.37Å; R292-D295 WeakPolarHBondContact O-CB 3.29Å; R292-D295 VanDerWaalsContact O-CG 3.3Å; R292-D295 PolarHBondContact O-N 2.82Å; R292-A385 WeakPolarHBondContact O-CB 3.42Å |
| 293 | S | 75.2 | Confident | 84.3 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 130.5 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | A385 | S293-A385 CarbonylContact C-O 3.55Å; S293-A385 WeakPolarHBondContact CA-O 3.42Å |
| 294 | G | 72.2 | Confident | 85.1 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -17.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R292 L296 R384 A385 | R292-G294 PolarHBondContact O-N 2.92Å; G294-L296 PolarHBondContact O-N 3.32Å; G294-R384 PolarHBondContact O-NH1 2.96Å; G294-A385 PolarHBondContact N-O 2.79Å |
| 295 | D | 81.5 | Confident | 85.4 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | trans | -58.8 | 131.8 | 177.4 | -78.7 | 2.3 | 0 | 0 | 0 | 110.6 | K286 L291 R292 R384 A385 | K286-D295 IonicContact NZ-OD2 2.84Å; K286-D295 PolarHBondContact NZ-OD2 3.31Å; L291-D295 HydrophobicContact CD2-CB 4.2Å; R292-D295 PolarHBondContact N-OD2 3.37Å; R292-D295 WeakPolarHBondContact O-CB 3.29Å; R292-D295 VanDerWaalsContact O-CG 3.3Å; R292-D295 PolarHBondContact O-N 2.82Å; D295-R384 WeakPolarHBondContact O-CA 3.35Å; D295-A385 HydrophobicContact CB-CB 4.42Å; D295-A385 PolarHBondContact O-N 3.22Å | ||
| 296 | L | 85.7 | Confident | 85.5 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 139.3 | 169.5 | -73 | 172.8 | 0 | 0 | 0 | 109.9 | T281 G294 E325 L382 A383 R384 | T281-L296 HydrophobicContact CG2-CB 3.88Å; G294-L296 PolarHBondContact O-N 3.32Å; L296-E325 HydrophobicContact CD2-CG 4.22Å; L296-L382 HydrophobicContact CD1-CD2 4.32Å; L296-L382 HydrophobicContact CD2-CD2 3.72Å; L296-L382 HydrophobicContact CG-CD2 4.47Å; L296-A383 WeakPolarHBondContact CA-O 3.23Å; L296-R384 HydrophobicContact CD2-CB 3.97Å; L296-R384 HydrophobicContact CD2-CG 4.29Å |
| 297 | V | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.2 | 173.5 | -65.1 | 0 | 0 | 0 | 0 | 110.2 | I278 L279 K286 L291 L322 A383 | I278-V297 HydrophobicContact CG2-CB 3.89Å; I278-V297 HydrophobicContact CG2-CG1 4.02Å; I278-V297 HydrophobicContact CG2-CG2 4.31Å; L279-V297 CarbonylContact O-C 3.6Å; L279-V297 WeakPolarHBondContact O-CA 3.32Å; K286-V297 HydrophobicContact CD-CG1 4.35Å; L291-V297 HydrophobicContact CD1-CG1 4.11Å; L291-V297 HydrophobicContact CD2-CG1 3.42Å; L291-V297 VanDerWaalsContact CD2-CG1 3.42Å; L291-V297 HydrophobicContact CG-CG1 4.44Å; V297-L322 HydrophobicContact CG2-CD1 4.38Å; V297-L322 HydrophobicContact CG2-CD2 4.09Å; V297-A383 HydrophobicContact CG2-CB 4.01Å; V297-A383 WeakPolarHBondContact CG2-O 3.15Å; V297-A383 PolarHBondContact N-O 3.29Å; V297-A383 PolarHBondContact O-N 3.22Å |
| 298 | L | 89.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.3 | 173.3 | -171.6 | 132.7 | 0 | 0 | 0 | 107.8 | L279 L336 V343 L346 V380 L382 | L279-L298 HydrophobicContact CB-CB 4.36Å; L279-L298 HydrophobicContact CB-CD2 4.44Å; L279-L298 HydrophobicContact CD1-CD2 3.99Å; L279-L298 PolarHBondContact N-O 3.31Å; L279-L298 PolarHBondContact O-N 3.1Å; L298-L336 HydrophobicContact CD1-CD2 3.98Å; L298-V343 HydrophobicContact CD1-CG1 3.84Å; L298-L346 HydrophobicContact CD2-CD1 4.32Å; L298-V380 HydrophobicContact CD1-CG1 3.8Å; L298-V380 HydrophobicContact CD2-CG1 3.46Å; L298-V380 VanDerWaalsContact CD2-CG1 3.46Å; L298-V380 HydrophobicContact CG-CG1 3.55Å; L298-L382 HydrophobicContact CB-CD1 4.48Å; L298-L382 HydrophobicContact CD1-CD1 4.2Å |
| 299 | V | 91.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.5 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | R276 L301 V380 Y381 | R276-V299 HydrophobicContact CG-CG1 3.87Å; V299-L301 HydrophobicContact CG1-CD2 4.27Å; V299-V380 VanDerWaalsContact O-CA 3.32Å; V299-V380 WeakPolarHBondContact O-CA 3.05Å; V299-Y381 HydrophobicContact CB-CD1 4.03Å; V299-Y381 HydrophobicContact CB-CD2 4.01Å; V299-Y381 HydrophobicContact CB-CE1 3.62Å; V299-Y381 HydrophobicContact CB-CE2 3.61Å; V299-Y381 HydrophobicContact CB-CG 4.21Å; V299-Y381 VanDerWaalsContact CB-CZ 3.41Å; V299-Y381 HydrophobicContact CG1-CD1 4.33Å; V299-Y381 HydrophobicContact CG1-CE1 3.54Å; V299-Y381 HydrophobicContact CG1-CE2 4.2Å; V299-Y381 VanDerWaalsContact CG1-CZ 3.48Å; V299-Y381 WeakPolarHBondContact CG1-OH 3.4Å; V299-Y381 HydrophobicContact CG2-CD2 4.15Å; V299-Y381 HydrophobicContact CG2-CE1 4.39Å; V299-Y381 HydrophobicContact CG2-CE2 3.51Å; V299-Y381 PolarHBondContact N-O 3.09Å; V299-Y381 PolarHBondContact O-N 3.34Å |
| 300 | W | 92.4 | Very high | 85.7 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.6 | 178.1 | 164.8 | 33.9 | 0 | 0 | 0 | 109.4 | R276 H277 L279 L346 | R276-W300 WeakPolarHBondContact CA-O 3.37Å; H277-W300 HydrophobicContact CB-CB 4.31Å; H277-W300 HydrophobicContact CB-CD2 4.24Å; H277-W300 HydrophobicContact CB-CE3 3.65Å; H277-W300 HydrophobicContact CB-CZ3 4.34Å; H277-W300 AromaticContact CD2-CD2 3.73Å; H277-W300 AromaticContact CD2-CE3 3.51Å; H277-W300 AromaticContact CD2-CZ3 3.75Å; H277-W300 AromaticContact CG-CE3 3.67Å; H277-W300 AromaticContact CG-CZ3 3.96Å; H277-W300 PolarHBondContact N-O 3.44Å; H277-W300 PolarHBondContact O-N 2.86Å; L279-W300 HydrophobicContact CD1-CE3 4.34Å; W300-L346 HydrophobicContact CB-CD1 4.46Å; W300-L346 HydrophobicContact CD2-CD1 4.27Å; W300-L346 HydrophobicContact CD2-CD2 3.77Å; W300-L346 HydrophobicContact CE3-CD1 4.38Å; W300-L346 HydrophobicContact CE3-CD2 4.29Å; W300-L346 HydrophobicContact CG-CD1 4.29Å; W300-L346 HydrophobicContact CG-CD2 4.06Å; W300-L346 HydrophobicContact CH2-CD2 4.49Å; W300-L346 HydrophobicContact CZ2-CD2 3.98Å |
| 301 | L | 94.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.3 | 173.3 | -51.1 | 172.9 | 0 | 0 | 0 | 109.9 | E275 R276 V299 V314 D316 F365 L379 Y381 | E275-L301 VanDerWaalsContact O-CA 3.31Å; E275-L301 WeakPolarHBondContact O-CA 3.36Å; R276-L301 HydrophobicContact CB-CD2 3.73Å; R276-L301 HydrophobicContact CG-CD2 3.75Å; V299-L301 HydrophobicContact CG1-CD2 4.27Å; L301-V314 HydrophobicContact CD1-CG1 4.01Å; L301-D316 HydrophobicContact CD1-CB 3.75Å; L301-D316 HydrophobicContact CD2-CB 4.33Å; L301-F365 HydrophobicContact CD1-CD1 3.92Å; L301-F365 HydrophobicContact CD1-CE1 4.12Å; L301-L379 HydrophobicContact CB-CB 4.2Å; L301-L379 PolarHBondContact N-O 2.99Å; L301-L379 PolarHBondContact O-N 2.89Å; L301-Y381 HydrophobicContact CD1-CE1 4.22Å |
| 302 | Q | 94.1 | Very high | 85.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.2 | 171 | -175.4 | 172 | 81.6 | 0 | 0 | 109.2 | I274 E275 P376 | I274-Q302 WeakPolarHBondContact CA-O 3.47Å; E275-Q302 PolarHBondContact N-O 3.26Å; E275-Q302 PolarHBondContact O-N 3.19Å; Q302-P376 HydrophobicContact CG-CB 4.2Å |
| 303 | V | 94.5 | Very high | 86.5 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.7 | -176.8 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | L272 Q273 I274 V314 V371 P376 V377 L379 | L272-V303 HydrophobicContact CD2-CG1 4.39Å; Q273-V303 CarbonylContact O-C 3.43Å; Q273-V303 WeakPolarHBondContact O-CA 3.46Å; I274-V303 HydrophobicContact CD1-CG2 4.12Å; I274-V303 HydrophobicContact CG1-CG2 4.12Å; V303-V314 HydrophobicContact CG1-CG2 4.39Å; V303-V314 HydrophobicContact CG2-CG1 4.5Å; V303-V314 HydrophobicContact CG2-CG2 3.81Å; V303-V371 HydrophobicContact CG1-CG2 3.99Å; V303-P376 CarbonylContact O-C 3.58Å; V303-P376 WeakPolarHBondContact O-CA 3.34Å; V303-V377 HydrophobicContact CB-CB 4.36Å; V303-V377 PolarHBondContact N-O 2.81Å; V303-V377 PolarHBondContact O-N 2.94Å; V303-L379 HydrophobicContact CG2-CD1 4.39Å |
| 304 | K | 93.7 | Very high | 87.3 | Confident | 73 Ų | 73 | 35.6 Ų | 35.6 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 150.6 | 178 | -70.7 | 166.7 | -170.7 | 157.7 | 0 | 109.2 | L272 Q273 P376 | L272-K304 CarbonylContact C-O 3.52Å; L272-K304 WeakPolarHBondContact CA-O 3.46Å; Q273-K304 HydrophobicContact CB-CB 4.33Å; Q273-K304 PolarHBondContact N-O 3.18Å; Q273-K304 PolarHBondContact O-N 3.3Å; K304-P376 HydrophobicContact CG-CB 3.8Å |
| 305 | A | 91.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | V271 L272 N307 V309 V371 | V271-A305 CarbonylContact O-C 3.55Å; V271-A305 VanDerWaalsContact O-CA 3.22Å; V271-A305 WeakPolarHBondContact O-CA 3.46Å; L272-A305 HydrophobicContact CD2-CB 3.9Å; A305-N307 VanDerWaalsContact C-N 3.31Å; A305-N307 WeakPolarHBondContact CB-O 3.11Å; A305-V309 HydrophobicContact CB-CG2 4.12Å; A305-V371 HydrophobicContact CB-CB 4.02Å; A305-V371 HydrophobicContact CB-CG1 3.56Å |
| 306 | S | 88.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 35.8 Ų | 35.8 | 49% | 0.49 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -80.6 | -13.8 | 173.8 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | V271 E373 | V271-S306 PolarHBondContact O-N 3.44Å; S306-E373 WeakPolarHBondContact O-CG 3.29Å |
| 307 | N | 84.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 38.6 Ų | 38.6 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -138.2 | 154 | 172.1 | -63.1 | -31.1 | 0 | 0 | 0 | 107.1 | V271 A305 V309 | V271-N307 HydrophobicContact CG1-CB 4.25Å; A305-N307 VanDerWaalsContact C-N 3.31Å; A305-N307 WeakPolarHBondContact CB-O 3.11Å; N307-V309 PolarHBondContact O-N 2.93Å |
| 308 | S | 84.2 | Confident | 88.6 | Confident | 69 Ų | 69 | 39.7 Ų | 39.7 | 48% | 0.483 | 22% | 0.221 | S | C | . | . | trans | -60.5 | 127 | 174.1 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | V371 E373 | S308-V371 CarbonylContact C-O 3.56Å; S308-V371 WeakPolarHBondContact CA-O 3.21Å; S308-E373 PolarHBondContact OG-N 3.04Å; S308-E373 VanDerWaalsContact OG-N 3.13Å | ||
| 309 | V | 83.7 | Confident | 88.2 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 99.1 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | V271 L272 A305 N307 D311 A312 V371 | V271-V309 HydrophobicContact CG1-CG2 3.81Å; L272-V309 HydrophobicContact CD2-CB 4.41Å; L272-V309 HydrophobicContact CD2-CG2 4.11Å; L272-V309 HydrophobicContact CG-CG2 4.42Å; A305-V309 HydrophobicContact CB-CG2 4.12Å; N307-V309 PolarHBondContact O-N 2.93Å; V309-D311 PolarHBondContact O-N 3.38Å; V309-D311 VanDerWaalsContact O-N 3.15Å; V309-A312 HydrophobicContact CB-CB 4.3Å; V309-A312 HydrophobicContact CG1-CB 3.79Å; V309-V371 PolarHBondContact N-O 2.6Å; V309-V371 PolarHBondContact O-N 3.5Å |
| 310 | P | 79.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -9.2 | -170.3 | 25.9 | -31.2 | 0 | 0 | 0 | 114.1 | W145 K356 | W145-P310 HydrophobicContact CE3-CG 4.4Å; W145-P310 HydrophobicContact CH2-CG 3.81Å; W145-P310 HydrophobicContact CZ3-CG 3.43Å; W145-P310 VanDerWaalsContact CZ3-CG 3.43Å; P310-K356 WeakPolarHBondContact O-CE 3.33Å; P310-K356 PolarHBondContact O-NZ 3.12Å |
| 311 | D | 78.2 | Confident | 86.2 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 32.3 | -167 | 64.2 | -26.5 | 0 | 0 | 0 | 113.1 | Y149 V309 L313 | Y149-D311 WeakPolarHBondContact CE1-OD2 3.29Å; Y149-D311 PolarHBondContact OH-OD2 3.29Å; V309-D311 PolarHBondContact O-N 3.38Å; V309-D311 VanDerWaalsContact O-N 3.15Å; D311-L313 PolarHBondContact O-N 2.79Å |
| 312 | A | 86.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 133.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L272 V309 A368 V369 V371 | L272-A312 HydrophobicContact CD1-CB 4.25Å; L272-A312 HydrophobicContact CD2-CB 4.13Å; V309-A312 HydrophobicContact CB-CB 4.3Å; V309-A312 HydrophobicContact CG1-CB 3.79Å; A312-A368 WeakPolarHBondContact O-CA 3.46Å; A312-V369 HydrophobicContact CB-CG2 4.18Å; A312-V369 PolarHBondContact N-O 2.75Å; A312-V369 PolarHBondContact O-N 3.26Å; A312-V371 HydrophobicContact CB-CG2 3.81Å |
| 313 | L | 88.6 | Confident | 84.9 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.3 | 174.1 | -172.1 | 68.8 | 0 | 0 | 0 | 110.1 | W11 D311 V315 V366 A368 | W11-L313 HydrophobicContact CH2-CD1 3.89Å; W11-L313 HydrophobicContact CZ3-CD1 4.49Å; D311-L313 PolarHBondContact O-N 2.79Å; L313-V315 HydrophobicContact CD2-CG2 4.2Å; L313-V315 HydrophobicContact CG-CG2 4.09Å; L313-V366 HydrophobicContact CD1-CG1 3.67Å; L313-V366 HydrophobicContact CG-CG1 4.41Å; L313-A368 HydrophobicContact CD1-CB 4.44Å |
| 314 | V | 91.8 | Very high | 84.5 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.3 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | I274 L301 V303 V366 A367 V369 L379 | I274-V314 HydrophobicContact CD1-CG1 3.6Å; L301-V314 HydrophobicContact CD1-CG1 4.01Å; V303-V314 HydrophobicContact CG1-CG2 4.39Å; V303-V314 HydrophobicContact CG2-CG1 4.5Å; V303-V314 HydrophobicContact CG2-CG2 3.81Å; V314-V366 CarbonylContact O-C 3.55Å; V314-V366 VanDerWaalsContact O-CA 3.26Å; V314-V366 WeakPolarHBondContact O-CA 3.46Å; V314-A367 HydrophobicContact CB-CB 4.38Å; V314-A367 PolarHBondContact N-O 2.82Å; V314-A367 PolarHBondContact O-N 3.24Å; V314-V369 HydrophobicContact CG2-CG2 4.02Å; V314-L379 HydrophobicContact CB-CD1 4.03Å; V314-L379 HydrophobicContact CG1-CD1 3.92Å; V314-L379 HydrophobicContact CG2-CD1 3.93Å |
| 315 | V | 91.2 | Very high | 83.7 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 110.9 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | L313 L317 R364 V366 | L313-V315 HydrophobicContact CD2-CG2 4.2Å; L313-V315 HydrophobicContact CG-CG2 4.09Å; V315-L317 HydrophobicContact CG1-CD2 4.29Å; V315-R364 HydrophobicContact CG1-CB 4.46Å; V315-V366 HydrophobicContact CG1-CG2 4.47Å; V315-V366 HydrophobicContact CG2-CG1 4.34Å; V315-V366 HydrophobicContact CG2-CG2 4.48Å |
| 316 | D | 91.4 | Very high | 82.1 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.2 | 174.4 | -174.7 | 30.6 | 0 | 0 | 0 | 109.5 | R276 L301 R364 F365 Y381 | R276-D316 IonicContact CZ-OD1 3.98Å; R276-D316 IonicContact NH1-OD1 3.89Å; R276-D316 PolarHBondContact NH1-OD1 3Å; L301-D316 HydrophobicContact CD1-CB 3.75Å; L301-D316 HydrophobicContact CD2-CB 4.33Å; D316-R364 CarbonylContact O-C 3.47Å; D316-R364 WeakPolarHBondContact O-CA 3.43Å; D316-R364 WeakPolarHBondContact O-CB 3.33Å; D316-F365 PolarHBondContact N-O 2.71Å; D316-F365 PolarHBondContact O-N 3.27Å; D316-Y381 WeakPolarHBondContact OD2-CE1 3.46Å; D316-Y381 PolarHBondContact OD2-OH 2.59Å |
| 317 | L | 88.5 | Confident | 80.4 | Confident | 99 Ų | 99 | 55 Ų | 55 | 52% | 0.518 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.9 | 175.5 | -59.2 | 178.8 | 0 | 0 | 0 | 108.9 | R276 V315 R364 | R276-L317 PolarHBondContact NH1-O 2.95Å; V315-L317 HydrophobicContact CG1-CD2 4.29Å; L317-R364 HydrophobicContact CD2-CB 3.89Å |
| 318 | L | 84.9 | Confident | 78.5 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 134 | 179.6 | -79.4 | 121.7 | 0 | 0 | 0 | 110.6 | A320 L322 L324 D363 Y381 A383 | L318-A320 PolarHBondContact O-N 2.84Å; L318-L322 HydrophobicContact CD2-CB 3.95Å; L318-L324 HydrophobicContact CD1-CD1 3.9Å; L318-L324 HydrophobicContact CD1-CD2 3.93Å; L318-L324 HydrophobicContact CD1-CG 3.55Å; L318-L324 HydrophobicContact CD2-CD2 3.96Å; L318-L324 HydrophobicContact CD2-CG 4.14Å; L318-L324 HydrophobicContact CG-CD2 4.4Å; L318-L324 HydrophobicContact CG-CG 4.44Å; L318-D363 PolarHBondContact N-O 3.42Å; L318-Y381 HydrophobicContact CD2-CE2 4.16Å; L318-A383 HydrophobicContact CD2-CB 3.94Å |
| 319 | P | 79.4 | Confident | 76.7 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 140.1 | 166.5 | -25.4 | 32.8 | 0 | 0 | 0 | 111.5 | L288 G321 L322 | L288-P319 HydrophobicContact CD1-CB 4.19Å; L288-P319 HydrophobicContact CD1-CG 4.13Å; L288-P319 HydrophobicContact CD2-CB 4.4Å; L288-P319 HydrophobicContact CD2-CG 4.4Å; P319-G321 PolarHBondContact O-N 2.79Å; P319-L322 HydrophobicContact CB-CD1 4.05Å; P319-L322 HydrophobicContact CG-CD1 3.95Å; P319-L322 PolarHBondContact O-N 2.88Å; P319-L322 VanDerWaalsContact O-N 3.07Å |
| 320 | A | 70.7 | Confident | 74.6 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 88% | 0.884 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 132.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | L318 | L318-A320 PolarHBondContact O-N 2.84Š|
| 321 | G | 72.3 | Confident | 72.7 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 8.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P319 A385 V386 | P319-G321 PolarHBondContact O-N 2.79Å; G321-A385 CarbonylContact O-C 3.55Å; G321-A385 VanDerWaalsContact O-CA 3.29Å; G321-A385 WeakPolarHBondContact O-CA 3.45Å; G321-V386 CarbonylContact C-O 3.35Å; G321-V386 VanDerWaalsContact CA-O 3.22Å; G321-V386 WeakPolarHBondContact CA-O 3.36Å; G321-V386 PolarHBondContact O-N 2.94Å |
| 322 | L | 81.9 | Confident | 70.8 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141.3 | 164 | -67.3 | 178.2 | 0 | 0 | 0 | 110.1 | L288 L291 V297 L318 P319 A383 R384 A385 | L288-L322 HydrophobicContact CD2-CD1 3.93Å; L291-L322 HydrophobicContact CD1-CD2 3.95Å; V297-L322 HydrophobicContact CG2-CD1 4.38Å; V297-L322 HydrophobicContact CG2-CD2 4.09Å; L318-L322 HydrophobicContact CD2-CB 3.95Å; P319-L322 HydrophobicContact CB-CD1 4.05Å; P319-L322 HydrophobicContact CG-CD1 3.95Å; P319-L322 PolarHBondContact O-N 2.88Å; P319-L322 VanDerWaalsContact O-N 3.07Å; L322-A383 HydrophobicContact CB-CB 4.33Å; L322-R384 CarbonylContact C-O 3.59Å; L322-R384 VanDerWaalsContact CA-O 3.3Å; L322-R384 WeakPolarHBondContact CA-O 3.35Å; L322-A385 HydrophobicContact CD2-CB 4.06Å |
| 323 | E | 79.8 | Confident | 68.5 | Low | 98 Ų | 98 | 70.5 Ų | 70.5 | 46% | 0.458 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.3 | 169 | -87.3 | 176.7 | -176.1 | 0 | 0 | 109.7 | A383 R384 V386 | E323-A383 CarbonylContact O-C 3.54Å; E323-A383 WeakPolarHBondContact O-CA 3.44Å; E323-A383 WeakPolarHBondContact O-CB 3.27Å; E323-R384 PolarHBondContact N-O 3.38Å; E323-R384 PolarHBondContact O-N 3.24Å; E323-V386 HydrophobicContact CB-CG2 3.73Å; E323-V386 HydrophobicContact CG-CG2 3.49Å; E323-V386 VanDerWaalsContact CG-CG2 3.49Å |
| 324 | L | 85.4 | Confident | 66.5 | Low | 29 Ų | 29 | 68 Ų | 68 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 136 | 173.9 | -69.1 | 170.1 | 0 | 0 | 0 | 110.6 | L318 F360 R361 Y381 | L318-L324 HydrophobicContact CD1-CD1 3.9Å; L318-L324 HydrophobicContact CD1-CD2 3.93Å; L318-L324 HydrophobicContact CD1-CG 3.55Å; L318-L324 HydrophobicContact CD2-CD2 3.96Å; L318-L324 HydrophobicContact CD2-CG 4.14Å; L318-L324 HydrophobicContact CG-CD2 4.4Å; L318-L324 HydrophobicContact CG-CG 4.44Å; L324-F360 HydrophobicContact CD1-CB 3.77Å; L324-F360 HydrophobicContact CD1-CD1 4.1Å; L324-F360 HydrophobicContact CD1-CG 4.44Å; L324-F360 HydrophobicContact CD2-CD1 4.34Å; L324-R361 WeakPolarHBondContact CD1-O 2.95Å; L324-Y381 HydrophobicContact CD2-CD2 3.28Å; L324-Y381 HydrophobicContact CD2-CE2 3.48Å; L324-Y381 VanDerWaalsContact CD2-CE2 3.48Å; L324-Y381 HydrophobicContact CD2-CG 4.17Å |
| 325 | E | 77.3 | Confident | 64.3 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 139 | 175.4 | -155 | 69.4 | 174.5 | 0 | 0 | 111 | L296 L382 R384 | L296-E325 HydrophobicContact CD2-CG 4.22Å; E325-L382 HydrophobicContact CB-CB 4.17Å; E325-L382 HydrophobicContact CB-CD2 3.82Å; E325-L382 HydrophobicContact CB-CG 4.47Å; E325-L382 HydrophobicContact CG-CD2 4.08Å; E325-L382 PolarHBondContact N-O 2.9Å; E325-R384 VanDerWaalsContact CD-NE 3.34Å; E325-R384 IonicContact OE1-CZ 3.51Å; E325-R384 VanDerWaalsContact OE1-CZ 3.26Å; E325-R384 IonicContact OE1-NE 2.88Å; E325-R384 PolarHBondContact OE1-NE 3.06Å; E325-R384 IonicContact OE1-NH2 3.72Å; E325-R384 PolarHBondContact OE1-NH2 2.95Å; E325-R384 IonicContact OE2-NE 2.66Å; E325-R384 PolarHBondContact OE2-NE 3.22Å; E325-R384 VanDerWaalsContact OE2-NE 3.14Å |
| 326 | N | 56.7 | Low | 62.4 | Low | 148 Ų | 148 | 68.7 Ų | 68.7 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 136.4 | -168.7 | -161.3 | -4.5 | 0 | 0 | 0 | 114.2 | N328 | N326-N328 PolarHBondContact O-N 3.18Š|
| 327 | Q | 53 | Low | 60.3 | Low | 77 Ų | 77 | 76.4 Ų | 76.4 | 36% | 0.36 | 46% | 0.46 | S | S | . | . | trans | -99.5 | 29.2 | -149.1 | -56.2 | 128.1 | 34.1 | 0 | 0 | 117.1 | L329 F360 | Q327-L329 PolarHBondContact O-N 3.35Å; Q327-F360 HydrophobicContact CB-CE2 4.14Å; Q327-F360 HydrophobicContact CB-CZ 4.25Å; Q327-F360 VanDerWaalsContact CD-CE2 3.45Å; Q327-F360 HydrophobicContact CG-CB 4.39Å; Q327-F360 HydrophobicContact CG-CD1 3.64Å; Q327-F360 HydrophobicContact CG-CD2 3.68Å; Q327-F360 HydrophobicContact CG-CE1 3.61Å; Q327-F360 HydrophobicContact CG-CE2 3.59Å; Q327-F360 HydrophobicContact CG-CG 3.68Å; Q327-F360 HydrophobicContact CG-CZ 3.58Å; Q327-F360 VanDerWaalsContact OE1-CE2 3.26Å; Q327-F360 VanDerWaalsContact OE1-CG 3.29Å | ||
| 328 | N | 45.1 | Very low | 58.3 | Low | 106 Ų | 106 | 80 Ų | 80 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | trans | -74 | 71.3 | 161.7 | -86.1 | -24.6 | 0 | 0 | 0 | 108.4 | N326 A330 N331 G332 | N326-N328 PolarHBondContact O-N 3.18Å; N328-A330 PolarHBondContact O-N 3.24Å; N328-N331 HydrophobicContact CB-CB 4.08Å; N328-N331 CarbonylContact O-C 3.57Å; N328-N331 PolarHBondContact O-N 3.37Å; N328-G332 VanDerWaalsContact O-CA 3.31Å; N328-G332 WeakPolarHBondContact O-CA 3.37Å; N328-G332 PolarHBondContact O-N 3.05Å | ||
| 329 | L | 46.8 | Very low | 56.7 | Low | 87 Ų | 87 | 80.1 Ų | 80.1 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -14.7 | 175.4 | -79 | 160.8 | 0 | 0 | 0 | 112.3 | Q327 L336 | Q327-L329 PolarHBondContact O-N 3.35Å; L329-L336 HydrophobicContact CD2-CD1 3.4Å |
| 330 | A | 39.2 | Very low | 55.6 | Low | 91 Ų | 91 | 80.6 Ų | 80.6 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -18.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N328 | N328-A330 PolarHBondContact O-N 3.24Š|
| 331 | N | 38.9 | Very low | 55.3 | Low | 139 Ų | 139 | 78.2 Ų | 78.2 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.4 | 10.8 | -172.9 | -67.8 | -47.4 | 0 | 0 | 0 | 114.4 | N328 | N328-N331 HydrophobicContact CB-CB 4.08Å; N328-N331 CarbonylContact O-C 3.57Å; N328-N331 PolarHBondContact O-N 3.37Å |
| 332 | G | 37.3 | Very low | 55.4 | Low | 36 Ų | 36 | 83 Ų | 83 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | trans | -86.3 | 146.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N328 A334 | N328-G332 VanDerWaalsContact O-CA 3.31Å; N328-G332 WeakPolarHBondContact O-CA 3.37Å; N328-G332 PolarHBondContact O-N 3.05Å; G332-A334 CarbonylContact O-C 3.45Å; G332-A334 PolarHBondContact O-N 2.92Å | ||
| 333 | S | 39.3 | Very low | 54.9 | Low | 134 Ų | 134 | 82.5 Ų | 82.5 | 94% | 0.937 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -62.4 | 7.1 | -169.7 | 48.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 334 | A | 45.3 | Very low | 54.7 | Low | 45 Ų | 45 | 81.5 Ų | 81.5 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -111.7 | 106.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | G332 L336 | G332-A334 CarbonylContact O-C 3.45Å; G332-A334 PolarHBondContact O-N 2.92Å; A334-L336 PolarHBondContact O-N 3.01Å |
| 335 | S | 46.6 | Very low | 54.5 | Low | 60 Ų | 60 | 84.7 Ų | 84.7 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | trans | -60.8 | 89.8 | 168 | 170.1 | 0 | 0 | 0 | 0 | 108 | E337 Q338 | S335-E337 PolarHBondContact O-N 2.68Å; S335-Q338 PolarHBondContact O-N 2.78Å; S335-Q338 VanDerWaalsContact O-N 3.1Å; S335-Q338 PolarHBondContact OG-N 3.14Å | ||
| 336 | L | 51.6 | Low | 54.9 | Low | 27 Ų | 27 | 82.6 Ų | 82.6 | 14% | 0.141 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -63.4 | -17 | 171.6 | -79.6 | 157.3 | 0 | 0 | 0 | 110.8 | L298 L329 A334 Q338 S339 V343 L347 | L298-L336 HydrophobicContact CD1-CD2 3.98Å; L329-L336 HydrophobicContact CD2-CD1 3.4Å; A334-L336 PolarHBondContact O-N 3.01Å; L336-Q338 PolarHBondContact O-N 2.95Å; L336-S339 VanDerWaalsContact C-OG 3.25Å; L336-S339 WeakPolarHBondContact CA-OG 3.17Å; L336-S339 PolarHBondContact O-N 2.82Å; L336-S339 PolarHBondContact O-OG 3.1Å; L336-V343 HydrophobicContact CD2-CG1 3.66Å; L336-L347 HydrophobicContact CB-CD1 4.25Å; L336-L347 HydrophobicContact CD1-CD1 4.41Å |
| 337 | E | 45.6 | Very low | 56.1 | Low | 175 Ų | 175 | 77 Ų | 77 | 82% | 0.818 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -64.8 | -19.6 | 171.7 | -63.6 | 178.7 | 154.8 | 0 | 0 | 113.6 | S335 | S335-E337 PolarHBondContact O-N 2.68Š|
| 338 | Q | 47.8 | Very low | 57.5 | Low | 174 Ų | 174 | 76.1 Ų | 76.1 | 81% | 0.813 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -99.5 | -10.6 | 175.7 | -73.6 | -174.4 | 6 | 0 | 0 | 114.1 | S335 L336 | S335-Q338 PolarHBondContact O-N 2.78Å; S335-Q338 VanDerWaalsContact O-N 3.1Å; S335-Q338 PolarHBondContact OG-N 3.14Å; L336-Q338 PolarHBondContact O-N 2.95Å |
| 339 | S | 51.3 | Low | 59.5 | Low | 24 Ų | 24 | 75.2 Ų | 75.2 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -77 | 142.8 | 174.5 | 24.5 | 0 | 0 | 0 | 0 | 110.8 | T281 L336 | T281-S339 WeakPolarHBondContact O-CB 3.43Å; L336-S339 VanDerWaalsContact C-OG 3.25Å; L336-S339 WeakPolarHBondContact CA-OG 3.17Å; L336-S339 PolarHBondContact O-N 2.82Å; L336-S339 PolarHBondContact O-OG 3.1Å |
| 340 | G | 56.1 | Low | 61.5 | Low | 38 Ų | 38 | 72 Ų | 72 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | trans | -51.1 | 158.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E342 V343 | G340-E342 PolarHBondContact O-N 2.84Å; G340-V343 PolarHBondContact O-N 2.83Å | ||
| 341 | G | 64.9 | Low | 63.6 | Low | 57 Ų | 57 | 75.4 Ų | 75.4 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -53.4 | -18.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | N345 | G341-N345 PolarHBondContact O-N 2.88Å; G341-N345 PolarHBondContact O-ND2 2.96Å |
| 342 | E | 72.7 | Confident | 65.7 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.6 | -40.5 | 172.5 | -79.3 | -177.4 | 146.3 | 0 | 0 | 113.3 | G340 Q344 N345 L346 | G340-E342 PolarHBondContact O-N 2.84Å; E342-Q344 PolarHBondContact O-N 2.88Å; E342-N345 PolarHBondContact O-N 3.26Å; E342-L346 WeakPolarHBondContact O-CG 3.36Å; E342-L346 PolarHBondContact O-N 3.3Å; E342-L346 VanDerWaalsContact O-N 3.11Å |
| 343 | V | 72.8 | Confident | 67.9 | Low | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.012 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | -178 | 177 | 0 | 0 | 0 | 0 | 110.8 | L298 L336 G340 N345 L346 L347 | L298-V343 HydrophobicContact CD1-CG1 3.84Å; L336-V343 HydrophobicContact CD2-CG1 3.66Å; G340-V343 PolarHBondContact O-N 2.83Å; V343-N345 VanDerWaalsContact C-N 3.33Å; V343-N345 PolarHBondContact O-N 3.46Å; V343-L346 PolarHBondContact O-N 2.91Å; V343-L347 HydrophobicContact CG1-CD1 4.25Å; V343-L347 WeakPolarHBondContact O-CG 3.22Å; V343-L347 PolarHBondContact O-N 3.44Å |
| 344 | Q | 74.2 | Confident | 69.9 | Low | 76 Ų | 76 | 73.1 Ų | 73.1 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.4 | -167.2 | 64.3 | 36 | 0 | 0 | 112 | E342 L347 N348 | E342-Q344 PolarHBondContact O-N 2.88Å; Q344-L347 PolarHBondContact O-N 3.21Å; Q344-N348 WeakPolarHBondContact O-CB 3.44Å; Q344-N348 PolarHBondContact O-N 3.3Å; Q344-N348 PolarHBondContact O-ND2 3.19Å |
| 345 | N | 82.6 | Confident | 71.8 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.3 | -77.3 | -21.3 | 0 | 0 | 0 | 111.9 | G341 E342 V343 N348 Q349 | G341-N345 PolarHBondContact O-N 2.88Å; G341-N345 PolarHBondContact O-ND2 2.96Å; E342-N345 PolarHBondContact O-N 3.26Å; V343-N345 VanDerWaalsContact C-N 3.33Å; V343-N345 PolarHBondContact O-N 3.46Å; N345-N348 PolarHBondContact O-N 3.43Å; N345-Q349 WeakPolarHBondContact O-CG 3.08Å; N345-Q349 PolarHBondContact O-N 3.02Å |
| 346 | L | 85.6 | Confident | 73.4 | Confident | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.3 | -68.7 | 172 | 0 | 0 | 0 | 112.1 | L279 L298 W300 E342 V343 Q349 M350 T378 V380 | L279-L346 HydrophobicContact CD1-CD1 3.72Å; L298-L346 HydrophobicContact CD2-CD1 4.32Å; W300-L346 HydrophobicContact CB-CD1 4.46Å; W300-L346 HydrophobicContact CD2-CD1 4.27Å; W300-L346 HydrophobicContact CD2-CD2 3.77Å; W300-L346 HydrophobicContact CE3-CD1 4.38Å; W300-L346 HydrophobicContact CE3-CD2 4.29Å; W300-L346 HydrophobicContact CG-CD1 4.29Å; W300-L346 HydrophobicContact CG-CD2 4.06Å; W300-L346 HydrophobicContact CH2-CD2 4.49Å; W300-L346 HydrophobicContact CZ2-CD2 3.98Å; E342-L346 WeakPolarHBondContact O-CG 3.36Å; E342-L346 PolarHBondContact O-N 3.3Å; E342-L346 VanDerWaalsContact O-N 3.11Å; V343-L346 PolarHBondContact O-N 2.91Å; L346-Q349 PolarHBondContact O-N 3.1Å; L346-M350 PolarHBondContact O-N 3.1Å; L346-T378 HydrophobicContact CD2-CG2 4.16Å; L346-V380 HydrophobicContact CB-CG2 3.96Å |
| 347 | L | 81.7 | Confident | 75.1 | Confident | 29 Ų | 29 | 76 Ų | 76 | 15% | 0.152 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 175.9 | -69.6 | 171.8 | 0 | 0 | 0 | 111.9 | L336 V343 Q344 M350 Q351 V380 | L336-L347 HydrophobicContact CB-CD1 4.25Å; L336-L347 HydrophobicContact CD1-CD1 4.41Å; V343-L347 HydrophobicContact CG1-CD1 4.25Å; V343-L347 WeakPolarHBondContact O-CG 3.22Å; V343-L347 PolarHBondContact O-N 3.44Å; Q344-L347 PolarHBondContact O-N 3.21Å; L347-M350 PolarHBondContact O-N 2.83Å; L347-Q351 WeakPolarHBondContact O-CG 3.48Å; L347-Q351 PolarHBondContact O-N 2.76Å; L347-V380 HydrophobicContact CD2-CG1 4.5Å |
| 348 | N | 82.8 | Confident | 77 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175 | -70.8 | -16.8 | 0 | 0 | 0 | 111.9 | Q344 N345 Q351 Q352 | Q344-N348 WeakPolarHBondContact O-CB 3.44Å; Q344-N348 PolarHBondContact O-N 3.3Å; Q344-N348 PolarHBondContact O-ND2 3.19Å; N345-N348 PolarHBondContact O-N 3.43Å; N348-Q351 PolarHBondContact O-N 3.16Å; N348-Q352 WeakPolarHBondContact O-CG 3.37Å; N348-Q352 PolarHBondContact O-N 3.1Å; N348-Q352 VanDerWaalsContact O-N 3.16Å |
| 349 | Q | 86.5 | Confident | 78.7 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 175.5 | -73.5 | 172.5 | 1.4 | 0 | 0 | 111.7 | N345 L346 Q351 Q352 A353 T378 | N345-Q349 WeakPolarHBondContact O-CG 3.08Å; N345-Q349 PolarHBondContact O-N 3.02Å; L346-Q349 PolarHBondContact O-N 3.1Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q349-Q352 PolarHBondContact O-N 3.34Å; Q349-A353 PolarHBondContact O-N 3.21Å; Q349-T378 HydrophobicContact CB-CG2 4.08Å; Q349-T378 PolarHBondContact OE1-OG1 2.91Å |
| 350 | M | 88.7 | Confident | 80.1 | Confident | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.1 | -175 | 179.1 | 178 | 0 | 0 | 112.2 | L346 L347 Q352 A353 I355 I358 T378 L379 V380 | L346-M350 PolarHBondContact O-N 3.1Å; L347-M350 PolarHBondContact O-N 2.83Å; M350-Q352 VanDerWaalsContact C-N 3.27Å; M350-Q352 PolarHBondContact O-N 2.9Å; M350-A353 WeakPolarHBondContact O-CB 3.39Å; M350-A353 PolarHBondContact O-N 2.73Å; M350-I355 HydrophobicContact CE-CD1 4.01Å; M350-I355 HydrophobicContact CG-CD1 3.74Å; M350-I355 WeakPolarHBondContact O-CD1 3.38Å; M350-I358 HydrophobicContact CE-CD1 3.36Å; M350-T378 WeakPolarHBondContact CA-O 3.24Å; M350-T378 WeakPolarHBondContact CB-O 3.16Å; M350-T378 WeakPolarHBondContact CG-O 3.39Å; M350-L379 HydrophobicContact CE-CD2 4.23Å; M350-V380 HydrophobicContact SD-CB 3.96Å; M350-V380 HydrophobicContact SD-CG2 4.46Å; M350-V380 PolarHBondContact SD-N 3.21Å |
| 351 | Q | 82.5 | Confident | 81.1 | Confident | 162 Ų | 162 | 69.9 Ų | 69.9 | 76% | 0.757 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.4 | -26.8 | 174.9 | -77.8 | -178 | -9 | 0 | 0 | 113.6 | L347 N348 Q349 | L347-Q351 WeakPolarHBondContact O-CG 3.48Å; L347-Q351 PolarHBondContact O-N 2.76Å; N348-Q351 PolarHBondContact O-N 3.16Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å |
| 352 | Q | 82.9 | Confident | 81.1 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -82.9 | -13.8 | 176.2 | -70.5 | 174.8 | 2.6 | 0 | 0 | 113 | N348 Q349 M350 | N348-Q352 WeakPolarHBondContact O-CG 3.37Å; N348-Q352 PolarHBondContact O-N 3.1Å; N348-Q352 VanDerWaalsContact O-N 3.16Å; Q349-Q352 PolarHBondContact O-N 3.34Å; M350-Q352 VanDerWaalsContact C-N 3.27Å; M350-Q352 PolarHBondContact O-N 2.9Å |
| 353 | A | 83.5 | Confident | 81.4 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -75.1 | 141 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q349 M350 I355 V377 | Q349-A353 PolarHBondContact O-N 3.21Å; M350-A353 WeakPolarHBondContact O-CB 3.39Å; M350-A353 PolarHBondContact O-N 2.73Å; A353-I355 HydrophobicContact CB-CD1 4.16Å; A353-I355 HydrophobicContact CB-CG1 3.89Å; A353-I355 PolarHBondContact O-N 3.14Å; A353-V377 HydrophobicContact CB-CG1 3.86Å |
| 354 | S | 81.7 | Confident | 82.1 | Confident | 77 Ų | 77 | 73.9 Ų | 73.9 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | trans | -74.3 | 70.3 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | A370 | S354-A370 PolarHBondContact O-N 2.77Å; S354-A370 VanDerWaalsContact O-N 3.15Å | ||
| 355 | I | 85 | Confident | 82.8 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.9 | -179.9 | -56.2 | 166.5 | 0 | 0 | 0 | 109.6 | M350 A353 I358 V369 L379 | M350-I355 HydrophobicContact CE-CD1 4.01Å; M350-I355 HydrophobicContact CG-CD1 3.74Å; M350-I355 WeakPolarHBondContact O-CD1 3.38Å; A353-I355 HydrophobicContact CB-CD1 4.16Å; A353-I355 HydrophobicContact CB-CG1 3.89Å; A353-I355 PolarHBondContact O-N 3.14Å; I355-I358 HydrophobicContact CD1-CD1 4.22Å; I355-I358 HydrophobicContact CG2-CD1 3.9Å; I355-I358 HydrophobicContact CG2-CG1 3.45Å; I355-I358 VanDerWaalsContact CG2-CG1 3.45Å; I355-V369 HydrophobicContact CB-CG1 4.33Å; I355-V369 HydrophobicContact CG1-CG1 3.93Å; I355-V369 HydrophobicContact CG2-CG1 4.23Å; I355-L379 HydrophobicContact CD1-CD2 3.76Å; I355-L379 HydrophobicContact CG1-CD2 4.09Å |
| 356 | K | 81.7 | Confident | 83.2 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -36.7 | 177.6 | -62.1 | -172.5 | -176.8 | 179.5 | 0 | 112.2 | P310 A368 | P310-K356 WeakPolarHBondContact O-CE 3.33Å; P310-K356 PolarHBondContact O-NZ 3.12Å; K356-A368 HydrophobicContact CB-CB 4.27Å; K356-A368 PolarHBondContact N-O 2.63Å |
| 357 | H | 85.8 | Confident | 83.5 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 22% | 0.218 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 147.6 | -178.4 | -169.9 | 66.3 | 0 | 0 | 0 | 111.4 | W11 A367 A368 | W11-H357 HydrophobicContact CB-CB 3.94Å; W11-H357 HydrophobicContact CD2-CB 3.73Å; W11-H357 AromaticContact CD2-CG 3.99Å; W11-H357 HydrophobicContact CE3-CB 4.08Å; W11-H357 AromaticContact CE3-CD2 3.63Å; W11-H357 AromaticContact CE3-CG 3.95Å; W11-H357 HydrophobicContact CG-CB 3.63Å; W11-H357 AromaticContact CG-CG 3.91Å; H357-A367 CarbonylContact O-C 3.59Å; H357-A367 VanDerWaalsContact O-CA 3.3Å; H357-A367 WeakPolarHBondContact O-CA 3.25Å; H357-A368 HydrophobicContact CB-CB 4.07Å; H357-A368 PolarHBondContact N-O 2.68Å; H357-A368 PolarHBondContact O-N 2.99Å |
| 358 | I | 86.3 | Confident | 83.8 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.3 | 168.5 | -56.1 | 179.2 | 0 | 0 | 0 | 107.9 | M350 I355 F360 F365 V366 A367 | M350-I358 HydrophobicContact CE-CD1 3.36Å; I355-I358 HydrophobicContact CD1-CD1 4.22Å; I355-I358 HydrophobicContact CG2-CD1 3.9Å; I355-I358 HydrophobicContact CG2-CG1 3.45Å; I355-I358 VanDerWaalsContact CG2-CG1 3.45Å; I358-F360 HydrophobicContact CB-CE2 4.27Å; I358-F360 HydrophobicContact CG2-CD2 3.76Å; I358-F360 HydrophobicContact CG2-CE1 4.46Å; I358-F360 HydrophobicContact CG2-CE2 3.28Å; I358-F360 HydrophobicContact CG2-CZ 3.67Å; I358-F365 HydrophobicContact CG2-CD2 4.27Å; I358-F365 HydrophobicContact CG2-CE2 3.38Å; I358-F365 HydrophobicContact CG2-CZ 3.8Å; I358-V366 CarbonylContact C-O 3.53Å; I358-V366 WeakPolarHBondContact CA-O 3.41Å; I358-A367 HydrophobicContact CG1-CB 4.4Å |
| 359 | E | 82.6 | Confident | 84.2 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.7 | 173.7 | -162.9 | -175 | 176 | 0 | 0 | 109.6 | R361 V366 | E359-R361 VanDerWaalsContact CD-NH2 3.29Å; E359-R361 HydrophobicContact CG-CG 4.23Å; E359-R361 IonicContact OE1-CZ 2.89Å; E359-R361 VanDerWaalsContact OE1-CZ 3.24Å; E359-R361 IonicContact OE1-NE 3.1Å; E359-R361 PolarHBondContact OE1-NE 2.87Å; E359-R361 IonicContact OE1-NH2 3.07Å; E359-R361 PolarHBondContact OE1-NH2 2.8Å; E359-R361 IonicContact OE2-CZ 3.88Å; E359-R361 IonicContact OE2-NE 3.03Å; E359-R361 PolarHBondContact OE2-NE 2.99Å; E359-R361 IonicContact OE2-NH2 3.38Å; E359-R361 PolarHBondContact OE2-NH2 3.11Å; E359-V366 HydrophobicContact CB-CB 4.24Å; E359-V366 PolarHBondContact N-O 3.44Å; E359-V366 PolarHBondContact O-N 2.66Å |
| 360 | F | 81.8 | Confident | 84.2 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.8 | 179.2 | -63.2 | -102.6 | 0 | 0 | 0 | 107.9 | L324 Q327 I358 F365 | L324-F360 HydrophobicContact CD1-CB 3.77Å; L324-F360 HydrophobicContact CD1-CD1 4.1Å; L324-F360 HydrophobicContact CD1-CG 4.44Å; L324-F360 HydrophobicContact CD2-CD1 4.34Å; Q327-F360 HydrophobicContact CB-CE2 4.14Å; Q327-F360 HydrophobicContact CB-CZ 4.25Å; Q327-F360 VanDerWaalsContact CD-CE2 3.45Å; Q327-F360 HydrophobicContact CG-CB 4.39Å; Q327-F360 HydrophobicContact CG-CD1 3.64Å; Q327-F360 HydrophobicContact CG-CD2 3.68Å; Q327-F360 HydrophobicContact CG-CE1 3.61Å; Q327-F360 HydrophobicContact CG-CE2 3.59Å; Q327-F360 HydrophobicContact CG-CG 3.68Å; Q327-F360 HydrophobicContact CG-CZ 3.58Å; Q327-F360 VanDerWaalsContact OE1-CE2 3.26Å; Q327-F360 VanDerWaalsContact OE1-CG 3.29Å; I358-F360 HydrophobicContact CB-CE2 4.27Å; I358-F360 HydrophobicContact CG2-CD2 3.76Å; I358-F360 HydrophobicContact CG2-CE1 4.46Å; I358-F360 HydrophobicContact CG2-CE2 3.28Å; I358-F360 HydrophobicContact CG2-CZ 3.67Å; F360-F365 AromaticContact CD1-CD2 3.6Å; F360-F365 HydrophobicContact CD1-CD2 3.6Å; F360-F365 HydrophobicContact CD1-CE2 4.01Å; F360-F365 AromaticContact CE1-CD2 3.53Å; F360-F365 HydrophobicContact CE1-CD2 3.53Å; F360-F365 AromaticContact CE1-CE2 3.48Å; F360-F365 HydrophobicContact CE1-CE2 3.48Å; F360-F365 VanDerWaalsContact CE1-CE2 3.48Å; F360-F365 HydrophobicContact CE2-CE2 4.4Å; F360-F365 HydrophobicContact CG-CD2 4.28Å; F360-F365 HydrophobicContact CZ-CD2 4.2Å; F360-F365 AromaticContact CZ-CE2 3.72Å; F360-F365 HydrophobicContact CZ-CE2 3.72Å |
| 361 | R | 76.6 | Confident | 84.3 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 156.9 | -178.9 | -60.7 | -170.1 | 173.9 | -170.8 | 6.6 | 109.8 | L324 E359 D363 R364 | L324-R361 WeakPolarHBondContact CD1-O 2.95Å; E359-R361 VanDerWaalsContact CD-NH2 3.29Å; E359-R361 HydrophobicContact CG-CG 4.23Å; E359-R361 IonicContact OE1-CZ 2.89Å; E359-R361 VanDerWaalsContact OE1-CZ 3.24Å; E359-R361 IonicContact OE1-NE 3.1Å; E359-R361 PolarHBondContact OE1-NE 2.87Å; E359-R361 IonicContact OE1-NH2 3.07Å; E359-R361 PolarHBondContact OE1-NH2 2.8Å; E359-R361 IonicContact OE2-CZ 3.88Å; E359-R361 IonicContact OE2-NE 3.03Å; E359-R361 PolarHBondContact OE2-NE 2.99Å; E359-R361 IonicContact OE2-NH2 3.38Å; E359-R361 PolarHBondContact OE2-NH2 3.11Å; R361-D363 PolarHBondContact O-N 3.47Å; R361-R364 HydrophobicContact CB-CG 3.95Å; R361-R364 HydrophobicContact CG-CG 4.41Å; R361-R364 PolarHBondContact N-O 2.69Å; R361-R364 PolarHBondContact O-N 3.46Å; R361-R364 VanDerWaalsContact O-N 3.14Å |
| 362 | D | 66 | Low | 84.5 | Confident | 111 Ų | 111 | 53 Ų | 53 | 59% | 0.594 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -35.6 | -178.3 | -66.8 | 11.8 | 0 | 0 | 0 | 114.4 | R627 | D362-R627 IonicContact OD2-CZ 2.68Å; D362-R627 IonicContact OD2-NH1 3.49Å; D362-R627 PolarHBondContact OD2-NH1 2.77Å; D362-R627 IonicContact OD2-NH2 3Å; D362-R627 PolarHBondContact OD2-NH2 3.04Å |
| 363 | D | 77.4 | Confident | 84.6 | Confident | 79 Ų | 79 | 48.9 Ų | 48.9 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -5.5 | -174.3 | 72.8 | -25.4 | 0 | 0 | 0 | 114.6 | L318 R361 | L318-D363 PolarHBondContact N-O 3.42Å; R361-D363 PolarHBondContact O-N 3.47Å |
| 364 | R | 87.6 | Confident | 84.5 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 151.6 | -177.3 | 68.5 | -169.1 | 76.2 | -161.4 | -4.5 | 114.5 | V315 D316 L317 R361 V366 | V315-R364 HydrophobicContact CG1-CB 4.46Å; D316-R364 CarbonylContact O-C 3.47Å; D316-R364 WeakPolarHBondContact O-CA 3.43Å; D316-R364 WeakPolarHBondContact O-CB 3.33Å; L317-R364 HydrophobicContact CD2-CB 3.89Å; R361-R364 HydrophobicContact CB-CG 3.95Å; R361-R364 HydrophobicContact CG-CG 4.41Å; R361-R364 PolarHBondContact N-O 2.69Å; R361-R364 PolarHBondContact O-N 3.46Å; R361-R364 VanDerWaalsContact O-N 3.14Å; R364-V366 HydrophobicContact CG-CG2 3.87Å |
| 365 | F | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.1 | 162.4 | 173.5 | -98.9 | 0 | 0 | 0 | 109.6 | L301 D316 I358 F360 A367 L379 Y381 | L301-F365 HydrophobicContact CD1-CD1 3.92Å; L301-F365 HydrophobicContact CD1-CE1 4.12Å; D316-F365 PolarHBondContact N-O 2.71Å; D316-F365 PolarHBondContact O-N 3.27Å; I358-F365 HydrophobicContact CG2-CD2 4.27Å; I358-F365 HydrophobicContact CG2-CE2 3.38Å; I358-F365 HydrophobicContact CG2-CZ 3.8Å; F360-F365 AromaticContact CD1-CD2 3.6Å; F360-F365 HydrophobicContact CD1-CD2 3.6Å; F360-F365 HydrophobicContact CD1-CE2 4.01Å; F360-F365 AromaticContact CE1-CD2 3.53Å; F360-F365 HydrophobicContact CE1-CD2 3.53Å; F360-F365 AromaticContact CE1-CE2 3.48Å; F360-F365 HydrophobicContact CE1-CE2 3.48Å; F360-F365 VanDerWaalsContact CE1-CE2 3.48Å; F360-F365 HydrophobicContact CE2-CE2 4.4Å; F360-F365 HydrophobicContact CG-CD2 4.28Å; F360-F365 HydrophobicContact CZ-CD2 4.2Å; F360-F365 AromaticContact CZ-CE2 3.72Å; F360-F365 HydrophobicContact CZ-CE2 3.72Å; F365-A367 HydrophobicContact CE1-CB 4.02Å; F365-A367 HydrophobicContact CZ-CB 4.18Å; F365-L379 HydrophobicContact CE1-CB 4.1Å; F365-L379 HydrophobicContact CE1-CD1 4.24Å; F365-L379 HydrophobicContact CZ-CB 4.4Å; F365-Y381 HydrophobicContact CB-CD1 3.8Å; F365-Y381 HydrophobicContact CB-CE1 3.62Å; F365-Y381 HydrophobicContact CB-CE2 4.45Å; F365-Y381 HydrophobicContact CB-CG 4.3Å; F365-Y381 AromaticContact CD1-CD1 3.65Å; F365-Y381 HydrophobicContact CD1-CD1 3.65Å; F365-Y381 AromaticContact CD1-CE1 3.82Å; F365-Y381 HydrophobicContact CD1-CE1 3.82Å; F365-Y381 AromaticContact CD2-CD1 3.72Å; F365-Y381 HydrophobicContact CD2-CD1 3.72Å; F365-Y381 HydrophobicContact CD2-CE1 4.41Å; F365-Y381 AromaticContact CD2-CG 3.93Å; F365-Y381 HydrophobicContact CD2-CG 3.93Å; F365-Y381 HydrophobicContact CE1-CD1 4.1Å; F365-Y381 HydrophobicContact CE2-CD1 4.16Å; F365-Y381 HydrophobicContact CE2-CG 4.4Å; F365-Y381 AromaticContact CG-CD1 3.43Å; F365-Y381 HydrophobicContact CG-CD1 3.43Å; F365-Y381 VanDerWaalsContact CG-CD1 3.43Å; F365-Y381 AromaticContact CG-CE1 3.7Å; F365-Y381 HydrophobicContact CG-CE1 3.7Å; F365-Y381 HydrophobicContact CG-CG 4.04Å; F365-Y381 HydrophobicContact CZ-CD1 4.34Å |
| 366 | V | 90.7 | Very high | 85 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 110 | L313 V314 V315 I358 E359 R364 | L313-V366 HydrophobicContact CD1-CG1 3.67Å; L313-V366 HydrophobicContact CG-CG1 4.41Å; V314-V366 CarbonylContact O-C 3.55Å; V314-V366 VanDerWaalsContact O-CA 3.26Å; V314-V366 WeakPolarHBondContact O-CA 3.46Å; V315-V366 HydrophobicContact CG1-CG2 4.47Å; V315-V366 HydrophobicContact CG2-CG1 4.34Å; V315-V366 HydrophobicContact CG2-CG2 4.48Å; I358-V366 CarbonylContact C-O 3.53Å; I358-V366 WeakPolarHBondContact CA-O 3.41Å; E359-V366 HydrophobicContact CB-CB 4.24Å; E359-V366 PolarHBondContact N-O 3.44Å; E359-V366 PolarHBondContact O-N 2.66Å; R364-V366 HydrophobicContact CG-CG2 3.87Å |
| 367 | A | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V314 H357 I358 F365 V369 L379 | V314-A367 HydrophobicContact CB-CB 4.38Å; V314-A367 PolarHBondContact N-O 2.82Å; V314-A367 PolarHBondContact O-N 3.24Å; H357-A367 CarbonylContact O-C 3.59Å; H357-A367 VanDerWaalsContact O-CA 3.3Å; H357-A367 WeakPolarHBondContact O-CA 3.25Å; I358-A367 HydrophobicContact CG1-CB 4.4Å; F365-A367 HydrophobicContact CE1-CB 4.02Å; F365-A367 HydrophobicContact CZ-CB 4.18Å; A367-V369 HydrophobicContact CB-CG1 4.23Å; A367-L379 HydrophobicContact CB-CD1 3.71Å; A367-L379 HydrophobicContact CB-CD2 3.97Å; A367-L379 HydrophobicContact CB-CG 4.48Å |
| 368 | A | 89.3 | Confident | 86 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | W11 A312 L313 K356 H357 | W11-A368 HydrophobicContact CD2-CB 4.4Å; W11-A368 HydrophobicContact CH2-CB 3.92Å; W11-A368 HydrophobicContact CZ2-CB 3.41Å; W11-A368 VanDerWaalsContact CZ2-CB 3.41Å; A312-A368 WeakPolarHBondContact O-CA 3.46Å; L313-A368 HydrophobicContact CD1-CB 4.44Å; K356-A368 HydrophobicContact CB-CB 4.27Å; K356-A368 PolarHBondContact N-O 2.63Å; H357-A368 HydrophobicContact CB-CB 4.07Å; H357-A368 PolarHBondContact N-O 2.68Å; H357-A368 PolarHBondContact O-N 2.99Å |
| 369 | V | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.7 | -170.5 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | A312 V314 I355 A367 V371 V377 L379 | A312-V369 HydrophobicContact CB-CG2 4.18Å; A312-V369 PolarHBondContact N-O 2.75Å; A312-V369 PolarHBondContact O-N 3.26Å; V314-V369 HydrophobicContact CG2-CG2 4.02Å; I355-V369 HydrophobicContact CB-CG1 4.33Å; I355-V369 HydrophobicContact CG1-CG1 3.93Å; I355-V369 HydrophobicContact CG2-CG1 4.23Å; A367-V369 HydrophobicContact CB-CG1 4.23Å; V369-V371 HydrophobicContact CG2-CG2 3.7Å; V369-V377 HydrophobicContact CB-CG1 4.16Å; V369-V377 HydrophobicContact CG1-CG1 4.05Å; V369-V377 HydrophobicContact CG2-CG1 4.25Å; V369-L379 HydrophobicContact CG1-CD1 4.44Å; V369-L379 HydrophobicContact CG1-CD2 4.11Å |
| 370 | A | 87.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S354 V377 | S354-A370 PolarHBondContact O-N 2.77Å; S354-A370 VanDerWaalsContact O-N 3.15Å; A370-V377 WeakPolarHBondContact O-CG2 3.5Å |
| 371 | V | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 104.5 | 178.5 | -168.6 | 0 | 0 | 0 | 0 | 108 | L272 V303 A305 S308 V309 A312 V369 V377 | L272-V371 HydrophobicContact CD2-CG2 4.44Å; V303-V371 HydrophobicContact CG1-CG2 3.99Å; A305-V371 HydrophobicContact CB-CB 4.02Å; A305-V371 HydrophobicContact CB-CG1 3.56Å; S308-V371 CarbonylContact C-O 3.56Å; S308-V371 WeakPolarHBondContact CA-O 3.21Å; V309-V371 PolarHBondContact N-O 2.6Å; V309-V371 PolarHBondContact O-N 3.5Å; A312-V371 HydrophobicContact CB-CG2 3.81Å; V369-V371 HydrophobicContact CG2-CG2 3.7Å; V371-V377 HydrophobicContact CB-CG2 4.44Å; V371-V377 HydrophobicContact CG1-CG2 4.38Å; V371-V377 HydrophobicContact CG2-CG2 4.07Å |
| 372 | D | 87.6 | Confident | 87.5 | Confident | 72 Ų | 72 | 42.5 Ų | 42.5 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | trans | -79 | 150.4 | 179.1 | -66 | -44.6 | 0 | 0 | 0 | 111.4 | Y374 Q375 | D372-Y374 PolarHBondContact O-N 3.27Å; D372-Q375 HydrophobicContact CB-CB 4.26Å; D372-Q375 PolarHBondContact O-N 2.86Å | ||
| 373 | E | 83.9 | Confident | 88.5 | Confident | 75 Ų | 75 | 37.2 Ų | 37.2 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 126.7 | 171.4 | -154.6 | -175.3 | 155 | 0 | 0 | 109.2 | S306 S308 Q375 | S306-E373 WeakPolarHBondContact O-CG 3.29Å; S308-E373 PolarHBondContact OG-N 3.04Å; S308-E373 VanDerWaalsContact OG-N 3.13Å; E373-Q375 VanDerWaalsContact C-N 3.3Å; E373-Q375 PolarHBondContact O-N 2.82Å |
| 374 | Y | 82.5 | Confident | 88.8 | Confident | 196 Ų | 196 | 37 Ų | 37 | 77% | 0.769 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -1.4 | -177.1 | -43.6 | -76.6 | 0 | 0 | 0 | 117.7 | D372 P376 | D372-Y374 PolarHBondContact O-N 3.27Å; Y374-P376 WeakPolarHBondContact O-CD 3.29Å |
| 375 | Q | 87.4 | Confident | 88.5 | Confident | 132 Ų | 132 | 33.6 Ų | 33.6 | 62% | 0.617 | 16% | 0.163 | S | C | * | . | trans | -111.6 | 103.7 | 174.7 | -66.7 | -150.8 | -4.1 | 0 | 0 | 112.4 | D372 E373 | D372-Q375 HydrophobicContact CB-CB 4.26Å; D372-Q375 PolarHBondContact O-N 2.86Å; E373-Q375 VanDerWaalsContact C-N 3.3Å; E373-Q375 PolarHBondContact O-N 2.82Å | ||
| 376 | P | 89.8 | Confident | 87.6 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 44% | 0.435 | 18% | 0.176 | S | C | . | . | trans | -67.7 | 137.5 | 176.2 | 23.7 | -29.6 | 0 | 0 | 0 | 112 | Q302 V303 K304 Y374 | Q302-P376 HydrophobicContact CG-CB 4.2Å; V303-P376 CarbonylContact O-C 3.58Å; V303-P376 WeakPolarHBondContact O-CA 3.34Å; K304-P376 HydrophobicContact CG-CB 3.8Å; Y374-P376 WeakPolarHBondContact O-CD 3.29Å | ||
| 377 | V | 93.7 | Very high | 86.1 | Confident | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.7 | 172.3 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | V303 A353 V369 A370 V371 L379 | V303-V377 HydrophobicContact CB-CB 4.36Å; V303-V377 PolarHBondContact N-O 2.81Å; V303-V377 PolarHBondContact O-N 2.94Å; A353-V377 HydrophobicContact CB-CG1 3.86Å; V369-V377 HydrophobicContact CB-CG1 4.16Å; V369-V377 HydrophobicContact CG1-CG1 4.05Å; V369-V377 HydrophobicContact CG2-CG1 4.25Å; A370-V377 WeakPolarHBondContact O-CG2 3.5Å; V371-V377 HydrophobicContact CB-CG2 4.44Å; V371-V377 HydrophobicContact CG1-CG2 4.38Å; V371-V377 HydrophobicContact CG2-CG2 4.07Å; V377-L379 HydrophobicContact CG1-CD2 4.41Å; V377-L379 HydrophobicContact CG1-CG 4.22Å |
| 378 | T | 93.2 | Very high | 83.7 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128 | 177.1 | -67 | 0 | 0 | 0 | 0 | 110.1 | L346 Q349 M350 V380 | L346-T378 HydrophobicContact CD2-CG2 4.16Å; Q349-T378 HydrophobicContact CB-CG2 4.08Å; Q349-T378 PolarHBondContact OE1-OG1 2.91Å; M350-T378 WeakPolarHBondContact CA-O 3.24Å; M350-T378 WeakPolarHBondContact CB-O 3.16Å; M350-T378 WeakPolarHBondContact CG-O 3.39Å; T378-V380 HydrophobicContact CG2-CG2 4.12Å |
| 379 | L | 92.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.8 | 175.6 | -60.5 | 164.7 | 0 | 0 | 0 | 109.6 | L301 V303 V314 M350 I355 F365 A367 V369 V377 | L301-L379 HydrophobicContact CB-CB 4.2Å; L301-L379 PolarHBondContact N-O 2.99Å; L301-L379 PolarHBondContact O-N 2.89Å; V303-L379 HydrophobicContact CG2-CD1 4.39Å; V314-L379 HydrophobicContact CB-CD1 4.03Å; V314-L379 HydrophobicContact CG1-CD1 3.92Å; V314-L379 HydrophobicContact CG2-CD1 3.93Å; M350-L379 HydrophobicContact CE-CD2 4.23Å; I355-L379 HydrophobicContact CD1-CD2 3.76Å; I355-L379 HydrophobicContact CG1-CD2 4.09Å; F365-L379 HydrophobicContact CE1-CB 4.1Å; F365-L379 HydrophobicContact CE1-CD1 4.24Å; F365-L379 HydrophobicContact CZ-CB 4.4Å; A367-L379 HydrophobicContact CB-CD1 3.71Å; A367-L379 HydrophobicContact CB-CD2 3.97Å; A367-L379 HydrophobicContact CB-CG 4.48Å; V369-L379 HydrophobicContact CG1-CD1 4.44Å; V369-L379 HydrophobicContact CG1-CD2 4.11Å; V377-L379 HydrophobicContact CG1-CD2 4.41Å; V377-L379 HydrophobicContact CG1-CG 4.22Å |
| 380 | V | 89.6 | Confident | 78.4 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.2 | -175.6 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | L298 V299 L346 L347 M350 T378 | L298-V380 HydrophobicContact CD1-CG1 3.8Å; L298-V380 HydrophobicContact CD2-CG1 3.46Å; L298-V380 VanDerWaalsContact CD2-CG1 3.46Å; L298-V380 HydrophobicContact CG-CG1 3.55Å; V299-V380 VanDerWaalsContact O-CA 3.32Å; V299-V380 WeakPolarHBondContact O-CA 3.05Å; L346-V380 HydrophobicContact CB-CG2 3.96Å; L347-V380 HydrophobicContact CD2-CG1 4.5Å; M350-V380 HydrophobicContact SD-CB 3.96Å; M350-V380 HydrophobicContact SD-CG2 4.46Å; M350-V380 PolarHBondContact SD-N 3.21Å; T378-V380 HydrophobicContact CG2-CG2 4.12Å |
| 381 | Y | 88.4 | Confident | 75.8 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.6 | 171.8 | 67.6 | -95.2 | 0 | 0 | 0 | 112.4 | V299 L301 D316 L318 L324 F365 A383 | V299-Y381 HydrophobicContact CB-CD1 4.03Å; V299-Y381 HydrophobicContact CB-CD2 4.01Å; V299-Y381 HydrophobicContact CB-CE1 3.62Å; V299-Y381 HydrophobicContact CB-CE2 3.61Å; V299-Y381 HydrophobicContact CB-CG 4.21Å; V299-Y381 VanDerWaalsContact CB-CZ 3.41Å; V299-Y381 HydrophobicContact CG1-CD1 4.33Å; V299-Y381 HydrophobicContact CG1-CE1 3.54Å; V299-Y381 HydrophobicContact CG1-CE2 4.2Å; V299-Y381 VanDerWaalsContact CG1-CZ 3.48Å; V299-Y381 WeakPolarHBondContact CG1-OH 3.4Å; V299-Y381 HydrophobicContact CG2-CD2 4.15Å; V299-Y381 HydrophobicContact CG2-CE1 4.39Å; V299-Y381 HydrophobicContact CG2-CE2 3.51Å; V299-Y381 PolarHBondContact N-O 3.09Å; V299-Y381 PolarHBondContact O-N 3.34Å; L301-Y381 HydrophobicContact CD1-CE1 4.22Å; D316-Y381 WeakPolarHBondContact OD2-CE1 3.46Å; D316-Y381 PolarHBondContact OD2-OH 2.59Å; L318-Y381 HydrophobicContact CD2-CE2 4.16Å; L324-Y381 HydrophobicContact CD2-CD2 3.28Å; L324-Y381 HydrophobicContact CD2-CE2 3.48Å; L324-Y381 VanDerWaalsContact CD2-CE2 3.48Å; L324-Y381 HydrophobicContact CD2-CG 4.17Å; F365-Y381 HydrophobicContact CB-CD1 3.8Å; F365-Y381 HydrophobicContact CB-CE1 3.62Å; F365-Y381 HydrophobicContact CB-CE2 4.45Å; F365-Y381 HydrophobicContact CB-CG 4.3Å; F365-Y381 AromaticContact CD1-CD1 3.65Å; F365-Y381 HydrophobicContact CD1-CD1 3.65Å; F365-Y381 AromaticContact CD1-CE1 3.82Å; F365-Y381 HydrophobicContact CD1-CE1 3.82Å; F365-Y381 AromaticContact CD2-CD1 3.72Å; F365-Y381 HydrophobicContact CD2-CD1 3.72Å; F365-Y381 HydrophobicContact CD2-CE1 4.41Å; F365-Y381 AromaticContact CD2-CG 3.93Å; F365-Y381 HydrophobicContact CD2-CG 3.93Å; F365-Y381 HydrophobicContact CE1-CD1 4.1Å; F365-Y381 HydrophobicContact CE2-CD1 4.16Å; F365-Y381 HydrophobicContact CE2-CG 4.4Å; F365-Y381 AromaticContact CG-CD1 3.43Å; F365-Y381 HydrophobicContact CG-CD1 3.43Å; F365-Y381 VanDerWaalsContact CG-CD1 3.43Å; F365-Y381 AromaticContact CG-CE1 3.7Å; F365-Y381 HydrophobicContact CG-CE1 3.7Å; F365-Y381 HydrophobicContact CG-CG 4.04Å; F365-Y381 HydrophobicContact CZ-CD1 4.34Å; Y381-A383 HydrophobicContact CE2-CB 4.4Å |
| 382 | L | 87.9 | Confident | 73.6 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139 | -179.3 | -146.4 | 93.6 | 0 | 0 | 0 | 110.6 | L296 L298 E325 | L296-L382 HydrophobicContact CD1-CD2 4.32Å; L296-L382 HydrophobicContact CD2-CD2 3.72Å; L296-L382 HydrophobicContact CG-CD2 4.47Å; L298-L382 HydrophobicContact CB-CD1 4.48Å; L298-L382 HydrophobicContact CD1-CD1 4.2Å; E325-L382 HydrophobicContact CB-CB 4.17Å; E325-L382 HydrophobicContact CB-CD2 3.82Å; E325-L382 HydrophobicContact CB-CG 4.47Å; E325-L382 HydrophobicContact CG-CD2 4.08Å; E325-L382 PolarHBondContact N-O 2.9Å |
| 383 | A | 87.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L296 V297 L318 L322 E323 Y381 | L296-A383 WeakPolarHBondContact CA-O 3.23Å; V297-A383 HydrophobicContact CG2-CB 4.01Å; V297-A383 WeakPolarHBondContact CG2-O 3.15Å; V297-A383 PolarHBondContact N-O 3.29Å; V297-A383 PolarHBondContact O-N 3.22Å; L318-A383 HydrophobicContact CD2-CB 3.94Å; L322-A383 HydrophobicContact CB-CB 4.33Å; E323-A383 CarbonylContact O-C 3.54Å; E323-A383 WeakPolarHBondContact O-CA 3.44Å; E323-A383 WeakPolarHBondContact O-CB 3.27Å; Y381-A383 HydrophobicContact CE2-CB 4.4Å |
| 384 | R | 84.8 | Confident | 71.3 | Confident | 75 Ų | 75 | 67 Ų | 67 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.8 | -179.8 | -175 | -177.9 | -65.8 | -84.1 | 8.2 | 110.8 | G294 D295 L296 L322 E323 E325 V386 | G294-R384 PolarHBondContact O-NH1 2.96Å; D295-R384 WeakPolarHBondContact O-CA 3.35Å; L296-R384 HydrophobicContact CD2-CB 3.97Å; L296-R384 HydrophobicContact CD2-CG 4.29Å; L322-R384 CarbonylContact C-O 3.59Å; L322-R384 VanDerWaalsContact CA-O 3.3Å; L322-R384 WeakPolarHBondContact CA-O 3.35Å; E323-R384 PolarHBondContact N-O 3.38Å; E323-R384 PolarHBondContact O-N 3.24Å; E325-R384 VanDerWaalsContact CD-NE 3.34Å; E325-R384 IonicContact OE1-CZ 3.51Å; E325-R384 VanDerWaalsContact OE1-CZ 3.26Å; E325-R384 IonicContact OE1-NE 2.88Å; E325-R384 PolarHBondContact OE1-NE 3.06Å; E325-R384 IonicContact OE1-NH2 3.72Å; E325-R384 PolarHBondContact OE1-NH2 2.95Å; E325-R384 IonicContact OE2-NE 2.66Å; E325-R384 PolarHBondContact OE2-NE 3.22Å; E325-R384 VanDerWaalsContact OE2-NE 3.14Å; R384-V386 PolarHBondContact O-N 2.84Å |
| 385 | A | 81.6 | Confident | 71.1 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L291 R292 S293 G294 D295 G321 L322 | L291-A385 HydrophobicContact CB-CB 4.22Å; R292-A385 WeakPolarHBondContact O-CB 3.42Å; S293-A385 CarbonylContact C-O 3.55Å; S293-A385 WeakPolarHBondContact CA-O 3.42Å; G294-A385 PolarHBondContact N-O 2.79Å; D295-A385 HydrophobicContact CB-CB 4.42Å; D295-A385 PolarHBondContact O-N 3.22Å; G321-A385 CarbonylContact O-C 3.55Å; G321-A385 VanDerWaalsContact O-CA 3.29Å; G321-A385 WeakPolarHBondContact O-CA 3.45Å; L322-A385 HydrophobicContact CD2-CB 4.06Å |
| 386 | V | 70.5 | Confident | 71 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | trans | -135.4 | 104.7 | -179.1 | -81.7 | 0 | 0 | 0 | 0 | 109.5 | G321 E323 R384 | G321-V386 CarbonylContact C-O 3.35Å; G321-V386 VanDerWaalsContact CA-O 3.22Å; G321-V386 WeakPolarHBondContact CA-O 3.36Å; G321-V386 PolarHBondContact O-N 2.94Å; E323-V386 HydrophobicContact CB-CG2 3.73Å; E323-V386 HydrophobicContact CG-CG2 3.49Å; E323-V386 VanDerWaalsContact CG-CG2 3.49Å; R384-V386 PolarHBondContact O-N 2.84Å | ||
| 387 | T | 58.7 | Low | 70.9 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | trans | -72.7 | 139.4 | -171.3 | -31.9 | 0 | 0 | 0 | 0 | 112.6 | Y391 | T387-Y391 PolarHBondContact O-OH 2.66Š| ||
| 388 | P | 41 | Very low | 70.6 | Confident | 112 Ų | 112 | 54.4 Ų | 54.4 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | trans | -77.5 | 134 | -178.8 | 27.8 | -32.2 | 0 | 0 | 0 | 113.8 | ||||
| 389 | G | 36.9 | Very low | 70.3 | Confident | 50 Ų | 50 | 56 Ų | 56 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | trans | -173.6 | 158.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y391 | G389-Y391 WeakPolarHBondContact O-CD2 3.19Å; G389-Y391 WeakPolarHBondContact O-CE2 3.37Å; G389-Y391 PolarHBondContact O-N 3.2Å | ||
| 390 | T | 30.7 | Very low | 69.9 | Low | 131 Ų | 131 | 60.4 Ų | 60.4 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | trans | -83.2 | 94.5 | 167.9 | -16.5 | 0 | 0 | 0 | 0 | 108 | Q392 | T390-Q392 PolarHBondContact O-N 3.03Š| ||
| 391 | Y | 33.7 | Very low | 69.7 | Low | 139 Ų | 139 | 62 Ų | 62 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | trans | -83.6 | 112 | 177.2 | -55.2 | -82.6 | 0 | 0 | 0 | 108.7 | T387 G389 D393 | T387-Y391 PolarHBondContact O-OH 2.66Å; G389-Y391 WeakPolarHBondContact O-CD2 3.19Å; G389-Y391 WeakPolarHBondContact O-CE2 3.37Å; G389-Y391 PolarHBondContact O-N 3.2Å; Y391-D393 PolarHBondContact O-N 3.24Å; Y391-D393 VanDerWaalsContact O-N 3.11Å | ||
| 392 | Q | 43.9 | Very low | 69.5 | Low | 173 Ų | 173 | 64.4 Ų | 64.4 | 81% | 0.808 | 36% | 0.364 | S | S | * | . | trans | -78.1 | 72.8 | 150.1 | -71 | -177.1 | 1.4 | 0 | 0 | 105.8 | T390 G394 | T390-Q392 PolarHBondContact O-N 3.03Å; Q392-G394 PolarHBondContact O-N 3.05Å | ||
| 393 | D | 56.4 | Low | 69.4 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | trans | -70.1 | 129.3 | 176.8 | 62.9 | -9.9 | 0 | 0 | 0 | 106.9 | Y391 T395 | Y391-D393 PolarHBondContact O-N 3.24Å; Y391-D393 VanDerWaalsContact O-N 3.11Å; D393-T395 PolarHBondContact O-N 3.31Å; D393-T395 PolarHBondContact OD1-OG1 3.03Å; D393-T395 PolarHBondContact OD2-OG1 2.94Å | ||
| 394 | G | 66.2 | Low | 69.3 | Low | 72 Ų | 72 | 74.9 Ų | 74.9 | 74% | 0.742 | 44% | 0.435 | S | S | * | . | trans | -66.6 | 31.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q392 P396 | Q392-G394 PolarHBondContact O-N 3.05Å; G394-P396 WeakPolarHBondContact O-CD 3.47Å | ||
| 395 | T | 79.5 | Confident | 69.4 | Low | 22 Ų | 22 | 72.7 Ų | 72.7 | 14% | 0.135 | 44% | 0.436 | C | S | . | . | trans | -60.8 | 118.1 | -179.4 | -67.5 | 0 | 0 | 0 | 0 | 108.8 | D393 L397 W522 A622 | D393-T395 PolarHBondContact O-N 3.31Å; D393-T395 PolarHBondContact OD1-OG1 3.03Å; D393-T395 PolarHBondContact OD2-OG1 2.94Å; T395-L397 PolarHBondContact O-N 3.39Å; T395-W522 HydrophobicContact CG2-CH2 4.06Å; T395-W522 HydrophobicContact CG2-CZ3 4.11Å; T395-W522 VanDerWaalsContact OG1-CH2 3.32Å; T395-W522 WeakPolarHBondContact OG1-CH2 3.5Å; T395-A622 HydrophobicContact CG2-CB 3.98Å | ||
| 396 | P | 84.4 | Confident | 69.8 | Low | 24 Ų | 24 | 73.8 Ų | 73.8 | 16% | 0.156 | 44% | 0.441 | C | S | . | . | trans | -59.6 | 126.7 | 175.2 | -19.8 | 29.6 | 0 | 0 | 0 | 109 | G394 Y409 W522 P597 | G394-P396 WeakPolarHBondContact O-CD 3.47Å; P396-Y409 HydrophobicContact CB-CE2 4.15Å; P396-Y409 HydrophobicContact CG-CD2 3.98Å; P396-Y409 HydrophobicContact CG-CE2 3.77Å; P396-W522 VanDerWaalsContact CD-CD2 3.45Å; P396-W522 VanDerWaalsContact CD-CZ2 3.41Å; P396-W522 HydrophobicContact CG-CD2 3.81Å; P396-W522 HydrophobicContact CG-CG 3.8Å; P396-W522 HydrophobicContact CG-CZ2 4.43Å; P396-P597 HydrophobicContact CB-CB 4.12Å; P396-P597 HydrophobicContact CB-CG 4.04Å; P396-P597 HydrophobicContact CG-CG 4.36Å; P396-P597 WeakPolarHBondContact O-CB 3.43Å | ||
| 397 | L | 87.6 | Confident | 70.7 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 11% | 0.105 | 44% | 0.436 | C | S | . | . | trans | -78.4 | -55.4 | 174 | -59.7 | 173.1 | 0 | 0 | 0 | 109.3 | T395 P597 L599 T618 L620 A622 | T395-L397 PolarHBondContact O-N 3.39Å; L397-P597 CarbonylContact O-C 3.43Å; L397-L599 CarbonylContact C-O 3.57Å; L397-L599 HydrophobicContact CB-CB 4.4Å; L397-L599 HydrophobicContact CD2-CB 4.26Å; L397-L599 HydrophobicContact CD2-CD1 4.41Å; L397-L599 WeakPolarHBondContact O-CA 3.45Å; L397-L599 PolarHBondContact O-N 3.27Å; L397-T618 WeakPolarHBondContact CD1-OG1 3.34Å; L397-L620 HydrophobicContact CD1-CB 3.85Å; L397-L620 HydrophobicContact CD1-CD1 3.98Å; L397-L620 HydrophobicContact CD1-CG 4.38Å; L397-A622 HydrophobicContact CD2-CB 3.86Å | ||
| 398 | W | 88 | Confident | 72.1 | Confident | 72 Ų | 72 | 74 Ų | 74 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | trans | -141.5 | 171.4 | -179.7 | -163.5 | -97.7 | 0 | 0 | 0 | 110.2 | F400 Q598 P601 S604 L666 | W398-F400 AromaticContact CD1-CE1 3.86Å; W398-F400 AromaticContact CD1-CE2 3.81Å; W398-F400 AromaticContact CD1-CZ 3.55Å; W398-F400 AromaticContact NE1-CE1 3.79Å; W398-F400 AromaticContact NE1-CZ 3.93Å; W398-Q598 HydrophobicContact CE3-CB 4.32Å; W398-Q598 HydrophobicContact CH2-CG 4.25Å; W398-Q598 VanDerWaalsContact CZ3-CA 3.5Å; W398-Q598 HydrophobicContact CZ3-CB 3.72Å; W398-Q598 HydrophobicContact CZ3-CG 3.84Å; W398-P601 HydrophobicContact CD2-CB 4.07Å; W398-P601 HydrophobicContact CE3-CB 3.7Å; W398-P601 HydrophobicContact CE3-CG 4.44Å; W398-P601 HydrophobicContact CH2-CB 3.74Å; W398-P601 HydrophobicContact CZ2-CB 4.07Å; W398-P601 HydrophobicContact CZ3-CB 3.54Å; W398-P601 HydrophobicContact CZ3-CG 4.11Å; W398-S604 WeakPolarHBondContact CB-OG 3.47Å; W398-L666 HydrophobicContact CH2-CD2 4.02Å | ||
| 399 | R | 85.9 | Confident | 74.4 | Confident | 41 Ų | 41 | 70 Ų | 70 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | trans | -146 | 147.3 | -176.2 | 59.2 | -172.4 | -166.2 | 114.5 | 15.6 | 110.3 | W407 Y409 M596 | R399-W407 HydrophobicContact CB-CE3 4.16Å; R399-W407 HydrophobicContact CB-CZ3 4.11Å; R399-W407 HydrophobicContact CG-CE3 3.86Å; R399-W407 HydrophobicContact CG-CH2 4.4Å; R399-W407 HydrophobicContact CG-CZ3 3.57Å; R399-W407 VanDerWaalsContact NH1-CD1 3.34Å; R399-W407 VanDerWaalsContact NH2-CZ2 3.29Å; R399-Y409 HydrophobicContact CB-CE1 3.86Å; R399-Y409 WeakPolarHBondContact CD-OH 3.23Å; R399-M596 VanDerWaalsContact NH1-CE 3.32Å; R399-M596 PolarHBondContact NH1-SD 3.42Å; R399-M596 VanDerWaalsContact NH2-CG 3.32Å | ||
| 400 | F | 84.5 | Confident | 76.9 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | trans | -119.1 | 135.3 | 170.2 | -60.4 | -81 | 0 | 0 | 0 | 108 | W398 W407 R605 L608 | W398-F400 AromaticContact CD1-CE1 3.86Å; W398-F400 AromaticContact CD1-CE2 3.81Å; W398-F400 AromaticContact CD1-CZ 3.55Å; W398-F400 AromaticContact NE1-CE1 3.79Å; W398-F400 AromaticContact NE1-CZ 3.93Å; F400-W407 VanDerWaalsContact C-CZ3 3.42Å; F400-R605 HydrophobicContact CZ-CB 4.4Å; F400-L608 HydrophobicContact CD1-CD2 4.01Å; F400-L608 HydrophobicContact CD2-CD1 4.22Å; F400-L608 HydrophobicContact CD2-CD2 4.01Å; F400-L608 HydrophobicContact CE1-CD2 4.03Å; F400-L608 HydrophobicContact CE2-CB 4.12Å; F400-L608 HydrophobicContact CE2-CD1 4.47Å; F400-L608 HydrophobicContact CE2-CD2 4.02Å; F400-L608 HydrophobicContact CE2-CG 4.44Å; F400-L608 HydrophobicContact CG-CD2 4.01Å; F400-L608 HydrophobicContact CZ-CB 4.36Å; F400-L608 HydrophobicContact CZ-CD2 4.04Å | ||
| 401 | A | 85.4 | Confident | 79.8 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | trans | -75.3 | 155.9 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | W407 | A401-W407 HydrophobicContact CB-CD2 3.9Å; A401-W407 HydrophobicContact CB-CE3 3.74Å; A401-W407 HydrophobicContact CB-CH2 3.72Å; A401-W407 HydrophobicContact CB-CZ2 3.85Å; A401-W407 HydrophobicContact CB-CZ3 3.66Å | ||
| 402 | D | 84.5 | Confident | 82.5 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | trans | -67.8 | 178.4 | 165 | 70.3 | 8.8 | 0 | 0 | 0 | 111.3 | D404 G405 I406 R408 | D402-D404 PolarHBondContact O-N 2.91Å; D402-D404 VanDerWaalsContact O-N 3.1Å; D402-D404 WeakPolarHBondContact OD1-CA 3.34Å; D402-D404 PolarHBondContact OD1-N 2.85Å; D402-G405 PolarHBondContact O-N 2.91Å; D402-G405 PolarHBondContact OD1-N 3.48Å; D402-G405 VanDerWaalsContact OD1-N 3.13Å; D402-I406 PolarHBondContact N-O 2.78Å; D402-I406 WeakPolarHBondContact OD1-CA 3.18Å; D402-I406 WeakPolarHBondContact OD1-CB 3.5Å; D402-I406 PolarHBondContact OD1-N 2.74Å; D402-R408 IonicContact OD2-CZ 3.14Å; D402-R408 IonicContact OD2-NH1 2.98Å; D402-R408 PolarHBondContact OD2-NH1 3.14Å; D402-R408 IonicContact OD2-NH2 3.26Å; D402-R408 PolarHBondContact OD2-NH2 2.86Å | ||
| 403 | A | 85.8 | Confident | 84.9 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 92% | 0.917 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 404 | D | 86 | Confident | 86.6 | Confident | 134 Ų | 134 | 55.3 Ų | 55.3 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2.7 | 178.5 | -61.5 | -44 | 0 | 0 | 0 | 112.7 | D402 I406 | D402-D404 PolarHBondContact O-N 2.91Å; D402-D404 VanDerWaalsContact O-N 3.1Å; D402-D404 WeakPolarHBondContact OD1-CA 3.34Å; D402-D404 PolarHBondContact OD1-N 2.85Å; D404-I406 VanDerWaalsContact C-N 3.34Å; D404-I406 HydrophobicContact CB-CD1 3.97Å; D404-I406 HydrophobicContact CB-CG1 4.01Å |
| 405 | G | 86.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 78.1 | 16.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D402 T513 | D402-G405 PolarHBondContact O-N 2.91Å; D402-G405 PolarHBondContact OD1-N 3.48Å; D402-G405 VanDerWaalsContact OD1-N 3.13Å; G405-T513 WeakPolarHBondContact O-CB 3.44Å; G405-T513 WeakPolarHBondContact O-CG2 3.4Å |
| 406 | I | 90.1 | Very high | 88.4 | Confident | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | trans | -91.7 | 136.2 | -177.3 | -53.7 | 175.1 | 0 | 0 | 0 | 110.2 | D402 D404 R408 Q515 | D402-I406 PolarHBondContact N-O 2.78Å; D402-I406 WeakPolarHBondContact OD1-CA 3.18Å; D402-I406 WeakPolarHBondContact OD1-CB 3.5Å; D402-I406 PolarHBondContact OD1-N 2.74Å; D404-I406 VanDerWaalsContact C-N 3.34Å; D404-I406 HydrophobicContact CB-CD1 3.97Å; D404-I406 HydrophobicContact CB-CG1 4.01Å; I406-R408 HydrophobicContact CG2-CG 4.25Å; I406-Q515 HydrophobicContact CG2-CB 3.83Å; I406-Q515 HydrophobicContact CG2-CG 3.64Å | ||
| 407 | W | 88 | Confident | 88.9 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 120.7 | 178.2 | -49.6 | 102.2 | 0 | 0 | 0 | 109.9 | R399 F400 A401 T513 L514 Q515 | R399-W407 HydrophobicContact CB-CE3 4.16Å; R399-W407 HydrophobicContact CB-CZ3 4.11Å; R399-W407 HydrophobicContact CG-CE3 3.86Å; R399-W407 HydrophobicContact CG-CH2 4.4Å; R399-W407 HydrophobicContact CG-CZ3 3.57Å; R399-W407 VanDerWaalsContact NH1-CD1 3.34Å; R399-W407 VanDerWaalsContact NH2-CZ2 3.29Å; F400-W407 VanDerWaalsContact C-CZ3 3.42Å; A401-W407 HydrophobicContact CB-CD2 3.9Å; A401-W407 HydrophobicContact CB-CE3 3.74Å; A401-W407 HydrophobicContact CB-CH2 3.72Å; A401-W407 HydrophobicContact CB-CZ2 3.85Å; A401-W407 HydrophobicContact CB-CZ3 3.66Å; W407-T513 PolarHBondContact N-O 3.47Å; W407-T513 PolarHBondContact NE1-OG1 3.27Å; W407-L514 HydrophobicContact CB-CD2 4.23Å; W407-Q515 PolarHBondContact O-N 3.18Å; W407-Q515 VanDerWaalsContact O-O 3.08Å |
| 408 | R | 89 | Confident | 89.3 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 33% | 0.328 | 31% | 0.311 | S | S | . | . | trans | -129.8 | 128.9 | 173.7 | -61 | -171.4 | -167.5 | 89.1 | 5.5 | 109.2 | D402 I406 Q515 | D402-R408 IonicContact OD2-CZ 3.14Å; D402-R408 IonicContact OD2-NH1 2.98Å; D402-R408 PolarHBondContact OD2-NH1 3.14Å; D402-R408 IonicContact OD2-NH2 3.26Å; D402-R408 PolarHBondContact OD2-NH2 2.86Å; I406-R408 HydrophobicContact CG2-CG 4.25Å; R408-Q515 HydrophobicContact CG-CB 3.93Å; R408-Q515 VanDerWaalsContact CZ-OE1 3.27Å | ||
| 409 | Y | 89.1 | Confident | 89.7 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | trans | -110.1 | 108.3 | 173.5 | -63.3 | 1.8 | 0 | 0 | 0 | 107.4 | P396 R399 V411 N506 A519 W522 | P396-Y409 HydrophobicContact CB-CE2 4.15Å; P396-Y409 HydrophobicContact CG-CD2 3.98Å; P396-Y409 HydrophobicContact CG-CE2 3.77Å; R399-Y409 HydrophobicContact CB-CE1 3.86Å; R399-Y409 WeakPolarHBondContact CD-OH 3.23Å; Y409-V411 PolarHBondContact O-N 3.02Å; Y409-N506 PolarHBondContact O-OD1 3.22Å; Y409-A519 HydrophobicContact CD1-CB 4.05Å; Y409-A519 HydrophobicContact CD2-CB 4.42Å; Y409-A519 HydrophobicContact CE1-CB 4.35Å; Y409-A519 HydrophobicContact CG-CB 4.03Å; Y409-W522 HydrophobicContact CD2-CB 4.21Å; Y409-W522 AromaticContact CD2-CD1 3.76Å; Y409-W522 HydrophobicContact CD2-CG 4.23Å; Y409-W522 HydrophobicContact CE2-CB 3.74Å; Y409-W522 HydrophobicContact CE2-CG 4.08Å | ||
| 410 | P | 88.9 | Confident | 90.2 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | trans | -57 | 126.3 | -176.3 | -26.6 | 34.9 | 0 | 0 | 0 | 112.5 | N506 D614 | P410-N506 VanDerWaalsContact CA-OD1 3.26Å; P410-N506 WeakPolarHBondContact CA-OD1 3.41Å; P410-D614 HydrophobicContact CG-CB 4.18Å | ||
| 411 | V | 91.3 | Very high | 90.8 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -132.9 | 149 | 174.9 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | Y409 D415 V416 L505 N506 I517 P529 | Y409-V411 PolarHBondContact O-N 3.02Å; V411-D415 HydrophobicContact CB-CB 4Å; V411-D415 HydrophobicContact CG1-CB 4.22Å; V411-V416 HydrophobicContact CB-CG2 4.21Å; V411-V416 HydrophobicContact CG2-CG2 4.08Å; V411-L505 HydrophobicContact CG2-CB 4.17Å; V411-N506 PolarHBondContact N-OD1 2.92Å; V411-N506 PolarHBondContact O-ND2 3.17Å; V411-I517 HydrophobicContact CG2-CG2 3.78Å; V411-P529 HydrophobicContact CG1-CG 4.09Å | ||
| 412 | T | 91.5 | Very high | 91.3 | Very high | 59 Ų | 59 | 54 Ų | 54 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | trans | -97.6 | 177.2 | 167.5 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | E414 D415 | T412-E414 PolarHBondContact O-N 2.88Å; T412-D415 WeakPolarHBondContact CB-OD2 3.45Å; T412-D415 PolarHBondContact N-OD2 2.83Å; T412-D415 PolarHBondContact O-N 2.86Å; T412-D415 VanDerWaalsContact OG1-CG 3.26Å; T412-D415 PolarHBondContact OG1-N 3.4Å; T412-D415 PolarHBondContact OG1-OD2 2.72Å | ||
| 413 | I | 93.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -61.7 | -34.7 | 174.3 | -69.5 | 172.7 | 0 | 0 | 0 | 110.4 | D415 V416 L421 R498 L501 L505 | I413-D415 VanDerWaalsContact C-N 3.3Å; I413-D415 PolarHBondContact O-N 2.76Å; I413-V416 PolarHBondContact O-N 2.84Å; I413-L421 HydrophobicContact CG2-CD1 3.74Å; I413-R498 HydrophobicContact CD1-CB 3.71Å; I413-R498 HydrophobicContact CD1-CG 3.87Å; I413-R498 WeakPolarHBondContact CD1-O 3.27Å; I413-L501 HydrophobicContact CD1-CB 4.25Å; I413-L501 HydrophobicContact CD1-CD2 4.02Å; I413-L501 HydrophobicContact CD1-CG 4.38Å; I413-L501 HydrophobicContact CG1-CD2 4.29Å; I413-L501 HydrophobicContact CG1-CG 4.44Å; I413-L505 HydrophobicContact CG1-CD1 4.15Å |
| 414 | E | 92.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 46.2 Ų | 46.2 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.1 | -178.5 | -66.1 | 60.8 | -134.3 | 0 | 0 | 112.7 | T412 V416 R498 | T412-E414 PolarHBondContact O-N 2.88Å; E414-V416 VanDerWaalsContact C-N 3.25Å; E414-V416 PolarHBondContact O-N 3.1Å; E414-R498 IonicContact OE1-CZ 3.6Å; E414-R498 IonicContact OE1-NH1 2.64Å; E414-R498 PolarHBondContact OE1-NH1 3.35Å; E414-R498 IonicContact OE1-NH2 3.43Å; E414-R498 PolarHBondContact OE1-NH2 2.8Å; E414-R498 IonicContact OE2-NH2 3.45Å; E414-R498 PolarHBondContact OE2-NH2 2.76Å |
| 415 | D | 89.9 | Confident | 92.8 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -0.5 | 178.9 | -63.7 | -53.8 | 0 | 0 | 0 | 113.1 | V411 T412 I413 A530 | V411-D415 HydrophobicContact CB-CB 4Å; V411-D415 HydrophobicContact CG1-CB 4.22Å; T412-D415 WeakPolarHBondContact CB-OD2 3.45Å; T412-D415 PolarHBondContact N-OD2 2.83Å; T412-D415 PolarHBondContact O-N 2.86Å; T412-D415 VanDerWaalsContact OG1-CG 3.26Å; T412-D415 PolarHBondContact OG1-N 3.4Å; T412-D415 PolarHBondContact OG1-OD2 2.72Å; I413-D415 VanDerWaalsContact C-N 3.3Å; I413-D415 PolarHBondContact O-N 2.76Å; D415-A530 PolarHBondContact O-N 2.98Å |
| 416 | V | 93.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -121.8 | 140.3 | -171.8 | -177.8 | 0 | 0 | 0 | 0 | 111 | V411 I413 E414 Y420 L421 L505 I517 P529 | V411-V416 HydrophobicContact CB-CG2 4.21Å; V411-V416 HydrophobicContact CG2-CG2 4.08Å; I413-V416 PolarHBondContact O-N 2.84Å; E414-V416 VanDerWaalsContact C-N 3.25Å; E414-V416 PolarHBondContact O-N 3.1Å; V416-Y420 HydrophobicContact CG1-CD1 3.42Å; V416-Y420 VanDerWaalsContact CG1-CD1 3.42Å; V416-Y420 HydrophobicContact CG1-CE1 4.25Å; V416-Y420 HydrophobicContact CG1-CG 3.99Å; V416-L421 HydrophobicContact CG1-CD2 4.35Å; V416-L421 HydrophobicContact CG1-CG 4.49Å; V416-L505 HydrophobicContact CG2-CD1 4.19Å; V416-I517 HydrophobicContact CG1-CG2 4.47Å; V416-I517 HydrophobicContact CG2-CG2 3.79Å; V416-P529 HydrophobicContact CG2-CB 4.35Å |
| 417 | S | 95.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | trans | -54.9 | 131.5 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | R419 Y420 L421 P529 A530 | S417-R419 PolarHBondContact O-N 3.02Å; S417-R419 VanDerWaalsContact O-N 3.13Å; S417-R419 PolarHBondContact OG-N 2.59Å; S417-Y420 WeakPolarHBondContact O-CB 3.3Å; S417-Y420 PolarHBondContact O-N 2.8Å; S417-L421 PolarHBondContact O-N 3.47Å; S417-P529 WeakPolarHBondContact CB-O 3.34Å; S417-P529 PolarHBondContact N-O 3.12Å; S417-A530 WeakPolarHBondContact CB-O 3.37Å | ||
| 418 | P | 95.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 57% | 0.571 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -52.9 | -34.5 | 172.8 | -27.8 | 35.2 | 0 | 0 | 0 | 112.6 | Y420 L421 E422 | P418-Y420 VanDerWaalsContact C-N 3.32Å; P418-Y420 PolarHBondContact O-N 2.98Å; P418-L421 PolarHBondContact O-N 3.26Å; P418-L421 VanDerWaalsContact O-N 3.17Å; P418-E422 WeakPolarHBondContact O-CG 3.31Å; P418-E422 PolarHBondContact O-N 2.89Å |
| 419 | R | 95.8 | Very high | 93.7 | Very high | 92 Ų | 92 | 35.6 Ų | 35.6 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.2 | -40 | 177 | -57.6 | 171.8 | -177.8 | 161.1 | -6.1 | 111.8 | S417 A423 L532 Y534 A537 W576 | S417-R419 PolarHBondContact O-N 3.02Å; S417-R419 VanDerWaalsContact O-N 3.13Å; S417-R419 PolarHBondContact OG-N 2.59Å; R419-A423 WeakPolarHBondContact O-CB 2.96Å; R419-A423 PolarHBondContact O-N 2.91Å; R419-L532 PolarHBondContact NH1-O 3.03Å; R419-L532 VanDerWaalsContact NH1-O 3.14Å; R419-Y534 HydrophobicContact CB-CD1 4.44Å; R419-Y534 HydrophobicContact CB-CE1 4.5Å; R419-Y534 HydrophobicContact CG-CD1 4.14Å; R419-Y534 HydrophobicContact CG-CE1 3.82Å; R419-Y534 HydrophobicContact CG-CE2 4.41Å; R419-Y534 VanDerWaalsContact CZ-CE2 3.4Å; R419-Y534 VanDerWaalsContact NE-CZ 3.34Å; R419-A537 HydrophobicContact CB-CB 3.96Å; R419-W576 HydrophobicContact CB-CZ2 4.32Å; R419-W576 WeakPolarHBondContact O-CZ2 3.36Å |
| 420 | Y | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 176 | 174.4 | -92.1 | 0 | 0 | 0 | 111.3 | V416 S417 P418 A423 L424 L505 I517 L532 L540 A541 | V416-Y420 HydrophobicContact CG1-CD1 3.42Å; V416-Y420 VanDerWaalsContact CG1-CD1 3.42Å; V416-Y420 HydrophobicContact CG1-CE1 4.25Å; V416-Y420 HydrophobicContact CG1-CG 3.99Å; S417-Y420 WeakPolarHBondContact O-CB 3.3Å; S417-Y420 PolarHBondContact O-N 2.8Å; P418-Y420 VanDerWaalsContact C-N 3.32Å; P418-Y420 PolarHBondContact O-N 2.98Å; Y420-A423 PolarHBondContact O-N 2.67Å; Y420-L424 HydrophobicContact CE1-CB 4.26Å; Y420-L424 HydrophobicContact CE1-CD2 3.82Å; Y420-L424 WeakPolarHBondContact O-CB 3.45Å; Y420-L424 PolarHBondContact O-N 3.36Å; Y420-L505 HydrophobicContact CD1-CD2 4.22Å; Y420-L505 HydrophobicContact CE1-CD2 3.49Å; Y420-L505 VanDerWaalsContact CE1-CD2 3.49Å; Y420-I517 HydrophobicContact CD1-CG1 4.28Å; Y420-I517 HydrophobicContact CD2-CD1 3.86Å; Y420-I517 HydrophobicContact CD2-CG1 4.31Å; Y420-I517 HydrophobicContact CE1-CB 4.35Å; Y420-I517 HydrophobicContact CE1-CD1 4.25Å; Y420-I517 HydrophobicContact CE1-CG1 3.97Å; Y420-I517 HydrophobicContact CE2-CD1 3.38Å; Y420-I517 HydrophobicContact CE2-CG1 4Å; Y420-I517 HydrophobicContact CG-CD1 4.46Å; Y420-I517 HydrophobicContact CG-CG1 4.43Å; Y420-L532 HydrophobicContact CD2-CD1 4.25Å; Y420-L532 HydrophobicContact CG-CD1 4.24Å; Y420-L540 HydrophobicContact CD2-CB 4.08Å; Y420-L540 HydrophobicContact CE2-CB 3.81Å; Y420-A541 HydrophobicContact CE2-CB 4.2Å |
| 421 | L | 96.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 177.1 | -60.2 | 176.1 | 0 | 0 | 0 | 111.3 | I413 V416 S417 P418 I425 L501 L505 | I413-L421 HydrophobicContact CG2-CD1 3.74Å; V416-L421 HydrophobicContact CG1-CD2 4.35Å; V416-L421 HydrophobicContact CG1-CG 4.49Å; S417-L421 PolarHBondContact O-N 3.47Å; P418-L421 PolarHBondContact O-N 3.26Å; P418-L421 VanDerWaalsContact O-N 3.17Å; L421-I425 VanDerWaalsContact O-CB 3.28Å; L421-I425 WeakPolarHBondContact O-CB 3.37Å; L421-I425 WeakPolarHBondContact O-CD1 3.26Å; L421-I425 VanDerWaalsContact O-CG1 3.22Å; L421-I425 WeakPolarHBondContact O-CG1 3.15Å; L421-I425 PolarHBondContact O-N 2.77Å; L421-L501 HydrophobicContact CD2-CD2 4.27Å; L421-L505 HydrophobicContact CD2-CD1 4.19Å; L421-L505 HydrophobicContact CD2-CD2 4.18Å |
| 422 | E | 96.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 43 Ų | 43 | 36% | 0.355 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59 | -51.2 | 173.9 | -75 | 170.2 | -172.9 | 0 | 0 | 111.7 | P418 N426 V575 W576 | P418-E422 WeakPolarHBondContact O-CG 3.31Å; P418-E422 PolarHBondContact O-N 2.89Å; E422-N426 VanDerWaalsContact O-CB 3.25Å; E422-N426 WeakPolarHBondContact O-CB 3.1Å; E422-N426 PolarHBondContact O-N 2.98Å; E422-N426 PolarHBondContact O-ND2 2.71Å; E422-V575 HydrophobicContact CB-CG1 4.32Å; E422-W576 PolarHBondContact OE2-NE1 3.25Å |
| 423 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R419 Y420 Y427 A541 V566 W576 | R419-A423 WeakPolarHBondContact O-CB 2.96Å; R419-A423 PolarHBondContact O-N 2.91Å; Y420-A423 PolarHBondContact O-N 2.67Å; A423-Y427 WeakPolarHBondContact O-CB 3.49Å; A423-Y427 PolarHBondContact O-N 2.96Å; A423-A541 HydrophobicContact CB-CB 3.95Å; A423-V566 HydrophobicContact CB-CG1 4.35Å; A423-W576 HydrophobicContact CB-CH2 3.74Å; A423-W576 HydrophobicContact CB-CZ2 3.92Å |
| 424 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -53.5 | -179.3 | 176.7 | 66.2 | 0 | 0 | 0 | 111.3 | Y420 E428 L463 L501 Y504 L505 A541 | Y420-L424 HydrophobicContact CE1-CB 4.26Å; Y420-L424 HydrophobicContact CE1-CD2 3.82Å; Y420-L424 WeakPolarHBondContact O-CB 3.45Å; Y420-L424 PolarHBondContact O-N 3.36Å; L424-E428 HydrophobicContact CD1-CB 4.43Å; L424-E428 HydrophobicContact CD1-CG 3.8Å; L424-E428 VanDerWaalsContact O-CB 3.27Å; L424-E428 WeakPolarHBondContact O-CB 3.47Å; L424-E428 PolarHBondContact O-N 2.86Å; L424-L463 HydrophobicContact CD1-CD2 4.13Å; L424-L463 HydrophobicContact CG-CD1 4.46Å; L424-L463 HydrophobicContact CG-CD2 4.34Å; L424-L501 HydrophobicContact CD2-CD1 4.09Å; L424-Y504 HydrophobicContact CD1-CD1 4.44Å; L424-Y504 HydrophobicContact CD1-CE1 3.54Å; L424-Y504 HydrophobicContact CD2-CD1 3.76Å; L424-Y504 HydrophobicContact CD2-CE1 3.65Å; L424-Y504 HydrophobicContact CG-CE1 4.2Å; L424-L505 HydrophobicContact CD2-CD2 4.2Å; L424-A541 HydrophobicContact CB-CB 4.39Å |
| 425 | I | 95.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -49.4 | -175.4 | -66.6 | 166.5 | 0 | 0 | 0 | 109.8 | L421 Y427 D429 R430 F432 W433 L463 L501 | L421-I425 VanDerWaalsContact O-CB 3.28Å; L421-I425 WeakPolarHBondContact O-CB 3.37Å; L421-I425 WeakPolarHBondContact O-CD1 3.26Å; L421-I425 VanDerWaalsContact O-CG1 3.22Å; L421-I425 WeakPolarHBondContact O-CG1 3.15Å; L421-I425 PolarHBondContact O-N 2.77Å; I425-Y427 VanDerWaalsContact C-N 3.28Å; I425-Y427 PolarHBondContact O-N 2.93Å; I425-D429 WeakPolarHBondContact CG2-O 3.34Å; I425-D429 CarbonylContact O-C 3.53Å; I425-D429 WeakPolarHBondContact O-CA 3.36Å; I425-D429 PolarHBondContact O-N 3.19Å; I425-D429 VanDerWaalsContact O-O 3.08Å; I425-R430 WeakPolarHBondContact O-CA 3.44Å; I425-R430 PolarHBondContact O-N 2.92Å; I425-F432 HydrophobicContact CG2-CB 4.16Å; I425-W433 HydrophobicContact CD1-CZ2 3.88Å; I425-L463 HydrophobicContact CG1-CD1 4.38Å; I425-L501 HydrophobicContact CD1-CD2 4.25Å |
| 426 | N | 94.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.3 | -24 | -176.4 | -72.6 | -75.8 | 0 | 0 | 0 | 113.5 | E422 M570 Q573 V575 | E422-N426 VanDerWaalsContact O-CB 3.25Å; E422-N426 WeakPolarHBondContact O-CB 3.1Å; E422-N426 PolarHBondContact O-N 2.98Å; E422-N426 PolarHBondContact O-ND2 2.71Å; N426-M570 HydrophobicContact CB-CE 3.66Å; N426-M570 HydrophobicContact CB-SD 3.91Å; N426-Q573 PolarHBondContact O-NE2 2.94Å; N426-Q573 PolarHBondContact O-OE1 3.02Å; N426-V575 HydrophobicContact CB-CG2 4.19Å |
| 427 | Y | 93 | Very high | 93.5 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -86.1 | -47.2 | 177.1 | -168.3 | -99.4 | 0 | 0 | 0 | 113.6 | A423 I425 V542 Q545 V566 R569 | A423-Y427 WeakPolarHBondContact O-CB 3.49Å; A423-Y427 PolarHBondContact O-N 2.96Å; I425-Y427 VanDerWaalsContact C-N 3.28Å; I425-Y427 PolarHBondContact O-N 2.93Å; Y427-V542 HydrophobicContact CE1-CB 4.41Å; Y427-V542 HydrophobicContact CE1-CG2 3.99Å; Y427-Q545 VanDerWaalsContact CE1-NE2 3.35Å; Y427-V566 HydrophobicContact CD1-CG2 4.16Å; Y427-V566 HydrophobicContact CD2-CB 4.07Å; Y427-V566 HydrophobicContact CD2-CG1 4.02Å; Y427-V566 HydrophobicContact CD2-CG2 3.74Å; Y427-V566 HydrophobicContact CE1-CG2 4.04Å; Y427-V566 HydrophobicContact CE2-CB 4.18Å; Y427-V566 HydrophobicContact CE2-CG2 3.62Å; Y427-V566 HydrophobicContact CG-CG1 4.28Å; Y427-V566 HydrophobicContact CG-CG2 4.02Å; Y427-R569 HydrophobicContact CD2-CB 4.13Å; Y427-R569 HydrophobicContact CD2-CG 4.27Å; Y427-R569 HydrophobicContact CE2-CB 4.34Å |
| 428 | E | 91.4 | Very high | 93.2 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -88.4 | -41.8 | -176.1 | -68 | -66.5 | 140.4 | 0 | 0 | 112.9 | L424 L463 Q466 Q545 | L424-E428 HydrophobicContact CD1-CB 4.43Å; L424-E428 HydrophobicContact CD1-CG 3.8Å; L424-E428 VanDerWaalsContact O-CB 3.27Å; L424-E428 WeakPolarHBondContact O-CB 3.47Å; L424-E428 PolarHBondContact O-N 2.86Å; E428-L463 HydrophobicContact CB-CD2 3.97Å; E428-L463 HydrophobicContact CB-CG 4.33Å; E428-L463 HydrophobicContact CG-CD2 4.43Å; E428-Q466 PolarHBondContact OE2-NE2 2.82Å; E428-Q545 VanDerWaalsContact OE1-CG 3.24Å; E428-Q545 WeakPolarHBondContact OE1-CG 3.41Å; E428-Q545 PolarHBondContact OE1-NE2 3.27Å |
| 429 | D | 92.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -154.8 | 71.8 | -169.7 | -166.4 | -0.4 | 0 | 0 | 0 | 112.9 | I425 W431 F432 H435 T462 L463 | I425-D429 WeakPolarHBondContact CG2-O 3.34Å; I425-D429 CarbonylContact O-C 3.53Å; I425-D429 WeakPolarHBondContact O-CA 3.36Å; I425-D429 PolarHBondContact O-N 3.19Å; I425-D429 VanDerWaalsContact O-O 3.08Å; D429-W431 PolarHBondContact O-N 2.97Å; D429-F432 HydrophobicContact CB-CB 4.15Å; D429-F432 VanDerWaalsContact O-CB 3.22Å; D429-F432 WeakPolarHBondContact O-CB 3.18Å; D429-F432 PolarHBondContact O-N 2.95Å; D429-F432 PolarHBondContact OD1-N 2.82Å; D429-H435 IonicContact OD1-CD2 3.75Å; D429-H435 IonicContact OD1-NE2 2.68Å; D429-H435 PolarHBondContact OD1-NE2 2.9Å; D429-H435 VanDerWaalsContact OD1-NE2 3.14Å; D429-H435 IonicContact OD2-CE1 3.65Å; D429-H435 IonicContact OD2-NE2 2.98Å; D429-H435 PolarHBondContact OD2-NE2 3.4Å; D429-T462 WeakPolarHBondContact OD2-CA 3.21Å; D429-T462 WeakPolarHBondContact OD2-CB 3.18Å; D429-L463 HydrophobicContact CB-CB 4.31Å; D429-L463 HydrophobicContact CB-CD1 4.03Å; D429-L463 HydrophobicContact CB-CG 3.75Å; D429-L463 PolarHBondContact OD2-N 2.81Å | ||
| 430 | R | 90.4 | Very high | 92.4 | Very high | 132 Ų | 132 | 45.8 Ų | 45.8 | 50% | 0.498 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.7 | -173.8 | -174.7 | 179.7 | -178.8 | -168 | 2.6 | 113.9 | I425 | I425-R430 WeakPolarHBondContact O-CA 3.44Å; I425-R430 PolarHBondContact O-N 2.92Å |
| 431 | W | 90.5 | Very high | 91.9 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 45% | 0.451 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 16.7 | -178.5 | -57.8 | 108.7 | 0 | 0 | 0 | 112.9 | D429 W433 K434 H435 | D429-W431 PolarHBondContact O-N 2.97Å; W431-W433 PolarHBondContact O-N 3.45Å; W431-K434 HydrophobicContact CE3-CD 3.82Å; W431-K434 HydrophobicContact CZ3-CD 4.14Å; W431-K434 PolarHBondContact O-N 3.04Å; W431-H435 PolarHBondContact O-CD2 3.43Å; W431-H435 PolarHBondContact O-N 3.43Å |
| 432 | F | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | -45.9 | -175 | 174.6 | -113 | 0 | 0 | 0 | 112.9 | I425 D429 K434 H435 L463 K497 I500 L501 | I425-F432 HydrophobicContact CG2-CB 4.16Å; D429-F432 HydrophobicContact CB-CB 4.15Å; D429-F432 VanDerWaalsContact O-CB 3.22Å; D429-F432 WeakPolarHBondContact O-CB 3.18Å; D429-F432 PolarHBondContact O-N 2.95Å; D429-F432 PolarHBondContact OD1-N 2.82Å; F432-K434 VanDerWaalsContact C-N 3.26Å; F432-K434 PolarHBondContact O-N 3.34Å; F432-H435 WeakPolarHBondContact CA-NE2 3.27Å; F432-L463 HydrophobicContact CB-CD1 4.48Å; F432-L463 HydrophobicContact CD2-CB 3.85Å; F432-L463 HydrophobicContact CD2-CD1 4.02Å; F432-L463 HydrophobicContact CD2-CG 4.48Å; F432-L463 HydrophobicContact CE2-CB 3.96Å; F432-L463 HydrophobicContact CE2-CD1 4.45Å; F432-L463 HydrophobicContact CG-CD1 4.15Å; F432-K497 HydrophobicContact CD2-CD 4.48Å; F432-K497 HydrophobicContact CE1-CB 4Å; F432-K497 HydrophobicContact CE1-CD 4.07Å; F432-K497 HydrophobicContact CE2-CD 4.02Å; F432-K497 HydrophobicContact CZ-CB 4.16Å; F432-K497 HydrophobicContact CZ-CD 3.8Å; F432-K497 WeakPolarHBondContact CZ-O 3.15Å; F432-K497 WeakPolarHBondContact O-CD 3.49Å; F432-K497 WeakPolarHBondContact O-CE 3.29Å; F432-K497 PolarHBondContact O-NZ 2.99Å; F432-I500 HydrophobicContact CE2-CG2 4.29Å; F432-I500 HydrophobicContact CZ-CG2 4.39Å; F432-L501 HydrophobicContact CE1-CB 4Å; F432-L501 HydrophobicContact CE1-CD2 4.32Å; F432-L501 HydrophobicContact CZ-CB 3.99Å |
| 433 | W | 93.4 | Very high | 90.6 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 49% | 0.489 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.5 | -177.7 | -56.3 | 109.9 | 0 | 0 | 0 | 115.1 | I425 W431 K497 R498 L501 | I425-W433 HydrophobicContact CD1-CZ2 3.88Å; W431-W433 PolarHBondContact O-N 3.45Å; W433-K497 HydrophobicContact CE3-CB 3.58Å; W433-K497 HydrophobicContact CE3-CG 4.1Å; W433-K497 HydrophobicContact CZ3-CB 3.45Å; W433-K497 VanDerWaalsContact CZ3-CB 3.45Å; W433-K497 HydrophobicContact CZ3-CG 4.45Å; W433-R498 HydrophobicContact CH2-CG 4.35Å; W433-R498 HydrophobicContact CZ3-CG 4.2Å; W433-L501 HydrophobicContact CH2-CD2 4Å; W433-L501 HydrophobicContact CZ2-CD2 4.03Å |
| 434 | K | 91.6 | Very high | 90 | Very high | 166 Ų | 166 | 55.7 Ų | 55.7 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -27.7 | -169.8 | -59.5 | -166.1 | -174.1 | -174.2 | 0 | 115.2 | W431 F432 | W431-K434 HydrophobicContact CE3-CD 3.82Å; W431-K434 HydrophobicContact CZ3-CD 4.14Å; W431-K434 PolarHBondContact O-N 3.04Å; F432-K434 VanDerWaalsContact C-N 3.26Å; F432-K434 PolarHBondContact O-N 3.34Å |
| 435 | H | 91 | Very high | 89.5 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -93.7 | 153.3 | -177.7 | 68.4 | 72.3 | 0 | 0 | 0 | 111.5 | D429 W431 F432 G437 V438 N439 T462 K497 | D429-H435 IonicContact OD1-CD2 3.75Å; D429-H435 IonicContact OD1-NE2 2.68Å; D429-H435 PolarHBondContact OD1-NE2 2.9Å; D429-H435 VanDerWaalsContact OD1-NE2 3.14Å; D429-H435 IonicContact OD2-CE1 3.65Å; D429-H435 IonicContact OD2-NE2 2.98Å; D429-H435 PolarHBondContact OD2-NE2 3.4Å; W431-H435 PolarHBondContact O-CD2 3.43Å; W431-H435 PolarHBondContact O-N 3.43Å; F432-H435 WeakPolarHBondContact CA-NE2 3.27Å; H435-G437 VanDerWaalsContact ND1-CA 3.35Å; H435-G437 WeakPolarHBondContact ND1-CA 3.11Å; H435-G437 PolarHBondContact ND1-N 2.89Å; H435-G437 PolarHBondContact O-N 3.47Å; H435-V438 PolarHBondContact ND1-N 3.27Å; H435-N439 HydrophobicContact CB-CB 4.17Å; H435-T462 VanDerWaalsContact CE1-CG2 3.45Å; H435-T462 WeakPolarHBondContact CE1-CG2 3.22Å; H435-K497 WeakPolarHBondContact O-CE 3.18Å; H435-K497 PolarHBondContact O-NZ 3.01Å |
| 436 | P | 89.6 | Confident | 88.8 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -82.5 | 47.3 | -178.7 | 35.3 | -37.5 | 0 | 0 | 0 | 112.1 | V438 L489 | P436-V438 PolarHBondContact O-N 3.24Å; P436-L489 WeakPolarHBondContact O-CD2 3.4Å |
| 437 | G | 87.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 92 | -27.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | H435 T462 E492 | H435-G437 VanDerWaalsContact ND1-CA 3.35Å; H435-G437 WeakPolarHBondContact ND1-CA 3.11Å; H435-G437 PolarHBondContact ND1-N 2.89Å; H435-G437 PolarHBondContact O-N 3.47Å; G437-T462 WeakPolarHBondContact O-CB 3.4Å; G437-T462 PolarHBondContact O-OG1 3.22Å; G437-E492 VanDerWaalsContact CA-CG 3.45Å; G437-E492 WeakPolarHBondContact CA-OE1 3.21Å; G437-E492 PolarHBondContact N-OE1 3.44Å |
| 438 | V | 88.7 | Confident | 87.8 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -124.9 | 128.1 | 175 | -176.1 | 0 | 0 | 0 | 0 | 108 | H435 P436 P440 V443 M465 L485 A488 L489 | H435-V438 PolarHBondContact ND1-N 3.27Å; P436-V438 PolarHBondContact O-N 3.24Å; V438-P440 VanDerWaalsContact O-CD 3.24Å; V438-P440 WeakPolarHBondContact O-CD 3.35Å; V438-V443 HydrophobicContact CG1-CG2 3.95Å; V438-M465 HydrophobicContact CG1-SD 4.35Å; V438-M465 HydrophobicContact CG2-CG 4.4Å; V438-M465 HydrophobicContact CG2-SD 4.32Å; V438-L485 HydrophobicContact CG1-CD1 4.3Å; V438-L485 HydrophobicContact CG1-CG 4.21Å; V438-L485 HydrophobicContact CG2-CD2 3.89Å; V438-L485 HydrophobicContact CG2-CG 3.67Å; V438-A488 HydrophobicContact CG2-CB 4.3Å; V438-L489 HydrophobicContact CG2-CD2 4.09Å; V438-L489 HydrophobicContact CG2-CG 4.3Å |
| 439 | N | 89.2 | Confident | 87.4 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | trans | -93.1 | 104.3 | 176.3 | -179.7 | -13 | 0 | 0 | 0 | 109.1 | H435 F441 S442 V443 T462 | H435-N439 HydrophobicContact CB-CB 4.17Å; N439-F441 PolarHBondContact O-N 3.49Å; N439-F441 WeakPolarHBondContact OD1-CB 3.31Å; N439-F441 PolarHBondContact OD1-N 3.46Å; N439-S442 WeakPolarHBondContact CB-OG 3.37Å; N439-S442 PolarHBondContact O-N 2.82Å; N439-S442 PolarHBondContact O-OG 2.73Å; N439-S442 PolarHBondContact OD1-N 2.9Å; N439-V443 WeakPolarHBondContact O-CG2 3.18Å; N439-V443 PolarHBondContact O-N 2.87Å; N439-T462 HydrophobicContact CB-CG2 3.89Å | ||
| 440 | P | 84.7 | Confident | 86.9 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -32.9 | -176.6 | 24.3 | -33.7 | 0 | 0 | 0 | 112 | V438 V443 A444 | V438-P440 VanDerWaalsContact O-CD 3.24Å; V438-P440 WeakPolarHBondContact O-CD 3.35Å; P440-V443 PolarHBondContact O-N 3.13Å; P440-A444 VanDerWaalsContact O-CB 3.26Å; P440-A444 WeakPolarHBondContact O-CB 3.26Å; P440-A444 PolarHBondContact O-N 3.17Å |
| 441 | F | 86.1 | Confident | 86.5 | Confident | 174 Ų | 174 | 72.3 Ų | 72.3 | 76% | 0.763 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.3 | -37.2 | 176.8 | -58.4 | -75.1 | 0 | 0 | 0 | 112.3 | N439 R445 | N439-F441 PolarHBondContact O-N 3.49Å; N439-F441 WeakPolarHBondContact OD1-CB 3.31Å; N439-F441 PolarHBondContact OD1-N 3.46Å; F441-R445 WeakPolarHBondContact O-CB 3.3Å; F441-R445 PolarHBondContact O-N 3.12Å |
| 442 | S | 83 | Confident | 86.3 | Confident | 18 Ų | 18 | 71 Ų | 71 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.9 | -39 | 176.9 | 75 | 0 | 0 | 0 | 0 | 111.4 | N439 A446 G460 | N439-S442 WeakPolarHBondContact CB-OG 3.37Å; N439-S442 PolarHBondContact O-N 2.82Å; N439-S442 PolarHBondContact O-OG 2.73Å; N439-S442 PolarHBondContact OD1-N 2.9Å; S442-A446 VanDerWaalsContact O-CB 3.23Å; S442-A446 WeakPolarHBondContact O-CB 2.98Å; S442-A446 PolarHBondContact O-N 2.7Å; S442-G460 PolarHBondContact OG-O 2.65Å |
| 443 | V | 82.3 | Confident | 85.4 | Confident | 56 Ų | 56 | 73 Ų | 73 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.6 | -47.1 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | V438 N439 P440 A446 A447 | V438-V443 HydrophobicContact CG1-CG2 3.95Å; N439-V443 WeakPolarHBondContact O-CG2 3.18Å; N439-V443 PolarHBondContact O-N 2.87Å; P440-V443 PolarHBondContact O-N 3.13Å; V443-A446 PolarHBondContact O-N 2.72Å; V443-A447 WeakPolarHBondContact O-CB 3.23Å; V443-A447 PolarHBondContact O-N 3.22Å |
| 444 | A | 84.5 | Confident | 84.5 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P440 A446 A447 W448 | P440-A444 VanDerWaalsContact O-CB 3.26Å; P440-A444 WeakPolarHBondContact O-CB 3.26Å; P440-A444 PolarHBondContact O-N 3.17Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.05Å; A444-A447 PolarHBondContact O-N 3.42Å; A444-W448 WeakPolarHBondContact O-CB 3.49Å; A444-W448 PolarHBondContact O-N 3.48Å |
| 445 | R | 85.5 | Confident | 83.7 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 41% | 0.408 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 174.2 | 179.4 | -170.8 | 59.6 | 71.9 | 6.4 | 111.4 | F441 W448 Q449 S458 G459 | F441-R445 WeakPolarHBondContact O-CB 3.3Å; F441-R445 PolarHBondContact O-N 3.12Å; R445-W448 PolarHBondContact O-N 2.82Å; R445-Q449 WeakPolarHBondContact O-CB 3.33Å; R445-Q449 VanDerWaalsContact O-CG 3.3Å; R445-Q449 WeakPolarHBondContact O-CG 3.23Å; R445-Q449 PolarHBondContact O-N 2.91Å; R445-S458 VanDerWaalsContact NH1-CB 3.26Å; R445-S458 PolarHBondContact NH1-OG 2.79Å; R445-G459 PolarHBondContact NH2-O 2.79Å |
| 446 | A | 81.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 3% | 0.033 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S442 V443 A444 W448 Q449 D450 S458 | S442-A446 VanDerWaalsContact O-CB 3.23Å; S442-A446 WeakPolarHBondContact O-CB 2.98Å; S442-A446 PolarHBondContact O-N 2.7Å; V443-A446 PolarHBondContact O-N 2.72Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.05Å; A446-W448 VanDerWaalsContact C-N 3.34Å; A446-W448 PolarHBondContact O-N 2.8Å; A446-Q449 PolarHBondContact O-N 3.46Å; A446-D450 WeakPolarHBondContact O-CB 3.25Å; A446-D450 PolarHBondContact O-N 2.96Å; A446-S458 VanDerWaalsContact CA-OG 3.31Å; A446-S458 WeakPolarHBondContact CA-OG 3.29Å; A446-S458 WeakPolarHBondContact CB-O 3.11Å; A446-S458 WeakPolarHBondContact CB-OG 3.46Å |
| 447 | A | 81.9 | Confident | 81.5 | Confident | 45 Ų | 45 | 77 Ų | 77 | 37% | 0.372 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V443 A444 Q449 D450 L451 | V443-A447 WeakPolarHBondContact O-CB 3.23Å; V443-A447 PolarHBondContact O-N 3.22Å; A444-A447 PolarHBondContact O-N 3.42Å; A447-Q449 PolarHBondContact O-N 3.15Å; A447-D450 PolarHBondContact O-N 2.74Å; A447-L451 WeakPolarHBondContact O-CB 3.1Å; A447-L451 WeakPolarHBondContact O-CD1 3.37Å; A447-L451 WeakPolarHBondContact O-CG 3.47Å; A447-L451 PolarHBondContact O-N 2.93Å |
| 448 | W | 85.1 | Confident | 80.3 | Confident | 184 Ų | 184 | 77.9 Ų | 77.9 | 70% | 0.697 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 177.4 | -177.9 | -95.4 | 0 | 0 | 0 | 112.7 | A444 R445 A446 T452 | A444-W448 WeakPolarHBondContact O-CB 3.49Å; A444-W448 PolarHBondContact O-N 3.48Å; R445-W448 PolarHBondContact O-N 2.82Å; A446-W448 VanDerWaalsContact C-N 3.34Å; A446-W448 PolarHBondContact O-N 2.8Å; W448-T452 HydrophobicContact CD2-CG2 4.39Å; W448-T452 HydrophobicContact CZ2-CG2 4.24Å; W448-T452 WeakPolarHBondContact O-CB 3.4Å; W448-T452 WeakPolarHBondContact O-CG2 3.24Å; W448-T452 PolarHBondContact O-N 3.32Å; W448-T452 PolarHBondContact O-OG1 2.68Å |
| 449 | Q | 83 | Confident | 79.3 | Confident | 64 Ų | 64 | 80 Ų | 80 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | 179.2 | -74.2 | 178.8 | -24.1 | 0 | 0 | 112.7 | R445 A446 A447 T452 S453 I457 S458 | R445-Q449 WeakPolarHBondContact O-CB 3.33Å; R445-Q449 VanDerWaalsContact O-CG 3.3Å; R445-Q449 WeakPolarHBondContact O-CG 3.23Å; R445-Q449 PolarHBondContact O-N 2.91Å; A446-Q449 PolarHBondContact O-N 3.46Å; A447-Q449 PolarHBondContact O-N 3.15Å; Q449-T452 WeakPolarHBondContact CA-OG1 3.48Å; Q449-T452 PolarHBondContact O-OG1 3.27Å; Q449-S453 WeakPolarHBondContact O-CB 3.43Å; Q449-S453 PolarHBondContact O-N 3.24Å; Q449-S453 PolarHBondContact O-OG 3.15Å; Q449-I457 HydrophobicContact CB-CB 4.49Å; Q449-S458 PolarHBondContact OE1-OG 3.16Å |
| 450 | D | 81.5 | Confident | 78.7 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 178.6 | -66.3 | -8 | 0 | 0 | 0 | 111 | A446 A447 G454 V456 I457 S458 | A446-D450 WeakPolarHBondContact O-CB 3.25Å; A446-D450 PolarHBondContact O-N 2.96Å; A447-D450 PolarHBondContact O-N 2.74Å; D450-G454 PolarHBondContact O-N 3.5Å; D450-G454 VanDerWaalsContact O-N 3.14Å; D450-V456 VanDerWaalsContact OD1-CA 3.31Å; D450-V456 WeakPolarHBondContact OD1-CA 3.38Å; D450-I457 PolarHBondContact OD1-N 2.95Å; D450-S458 PolarHBondContact OD1-N 3.29Å |
| 451 | L | 82.5 | Confident | 78.7 | Confident | 143 Ų | 143 | 77.4 Ų | 77.4 | 75% | 0.749 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.8 | -47 | 174.2 | -86.1 | 154 | 0 | 0 | 0 | 112.4 | A447 S453 | A447-L451 WeakPolarHBondContact O-CB 3.1Å; A447-L451 WeakPolarHBondContact O-CD1 3.37Å; A447-L451 WeakPolarHBondContact O-CG 3.47Å; A447-L451 PolarHBondContact O-N 2.93Å; L451-S453 VanDerWaalsContact C-N 3.31Å; L451-S453 PolarHBondContact O-N 3.24Å |
| 452 | T | 85.4 | Confident | 79 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 57% | 0.571 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.7 | -20.2 | -175.7 | 47.9 | 0 | 0 | 0 | 0 | 114 | W448 Q449 | W448-T452 HydrophobicContact CD2-CG2 4.39Å; W448-T452 HydrophobicContact CZ2-CG2 4.24Å; W448-T452 WeakPolarHBondContact O-CB 3.4Å; W448-T452 WeakPolarHBondContact O-CG2 3.24Å; W448-T452 PolarHBondContact O-N 3.32Å; W448-T452 PolarHBondContact O-OG1 2.68Å; Q449-T452 WeakPolarHBondContact CA-OG1 3.48Å; Q449-T452 PolarHBondContact O-OG1 3.27Å |
| 453 | S | 76.4 | Confident | 79.5 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -110 | -6.3 | -176.7 | 65.6 | 0 | 0 | 0 | 0 | 115.2 | Q449 L451 R455 I457 | Q449-S453 WeakPolarHBondContact O-CB 3.43Å; Q449-S453 PolarHBondContact O-N 3.24Å; Q449-S453 PolarHBondContact O-OG 3.15Å; L451-S453 VanDerWaalsContact C-N 3.31Å; L451-S453 PolarHBondContact O-N 3.24Å; S453-R455 PolarHBondContact O-N 3.14Å; S453-R455 VanDerWaalsContact O-N 3.1Å; S453-R455 PolarHBondContact OG-O 3.06Å; S453-I457 WeakPolarHBondContact OG-CD1 3.48Å; S453-I457 VanDerWaalsContact OG-CG1 3.24Å; S453-I457 WeakPolarHBondContact OG-CG1 3.41Å |
| 454 | G | 73.9 | Confident | 80.1 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 76% | 0.763 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 65.6 | 7.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D450 | D450-G454 PolarHBondContact O-N 3.5Å; D450-G454 VanDerWaalsContact O-N 3.14Å |
| 455 | R | 75.5 | Confident | 80.5 | Confident | 183 Ų | 183 | 63 Ų | 63 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -145.1 | 154.4 | 177.2 | 63.6 | -176.8 | 179.7 | -174.8 | -1.6 | 109.9 | S453 I457 | S453-R455 PolarHBondContact O-N 3.14Å; S453-R455 VanDerWaalsContact O-N 3.1Å; S453-R455 PolarHBondContact OG-O 3.06Å; R455-I457 HydrophobicContact CG-CG1 4.14Å; R455-I457 PolarHBondContact O-N 3.26Å |
| 456 | V | 66.3 | Low | 80.9 | Confident | 123 Ų | 123 | 58.8 Ų | 58.8 | 75% | 0.745 | 34% | 0.338 | S | S | * | . | trans | -67.1 | 106.7 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | D450 | D450-V456 VanDerWaalsContact OD1-CA 3.31Å; D450-V456 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 457 | I | 66.3 | Low | 81.5 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | trans | -94.4 | -38 | -180 | -73.4 | -173.3 | 0 | 0 | 0 | 110.9 | Q449 D450 S453 R455 | Q449-I457 HydrophobicContact CB-CB 4.49Å; D450-I457 PolarHBondContact OD1-N 2.95Å; S453-I457 WeakPolarHBondContact OG-CD1 3.48Å; S453-I457 VanDerWaalsContact OG-CG1 3.24Å; S453-I457 WeakPolarHBondContact OG-CG1 3.41Å; R455-I457 HydrophobicContact CG-CG1 4.14Å; R455-I457 PolarHBondContact O-N 3.26Å | ||
| 458 | S | 64 | Low | 82.1 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | trans | -137 | 139.7 | -171.9 | 88.5 | 0 | 0 | 0 | 0 | 113.8 | R445 A446 Q449 D450 | R445-S458 VanDerWaalsContact NH1-CB 3.26Å; R445-S458 PolarHBondContact NH1-OG 2.79Å; A446-S458 VanDerWaalsContact CA-OG 3.31Å; A446-S458 WeakPolarHBondContact CA-OG 3.29Å; A446-S458 WeakPolarHBondContact CB-O 3.11Å; A446-S458 WeakPolarHBondContact CB-OG 3.46Å; Q449-S458 PolarHBondContact OE1-OG 3.16Å; D450-S458 PolarHBondContact OD1-N 3.29Å | ||
| 459 | G | 68 | Low | 82.4 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | trans | -73.5 | 133.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R445 | R445-G459 PolarHBondContact NH2-O 2.79Š| ||
| 460 | G | 76 | Confident | 82.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | trans | -101.4 | 4.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S442 | S442-G460 PolarHBondContact OG-O 2.65Š| ||
| 461 | S | 85 | Confident | 83.4 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | trans | -80.5 | 126.6 | -176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 462 | T | 92.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | trans | -78.7 | 166.7 | 172.9 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | D429 H435 G437 N439 T464 M465 Q466 | D429-T462 WeakPolarHBondContact OD2-CA 3.21Å; D429-T462 WeakPolarHBondContact OD2-CB 3.18Å; H435-T462 VanDerWaalsContact CE1-CG2 3.45Å; H435-T462 WeakPolarHBondContact CE1-CG2 3.22Å; G437-T462 WeakPolarHBondContact O-CB 3.4Å; G437-T462 PolarHBondContact O-OG1 3.22Å; N439-T462 HydrophobicContact CB-CG2 3.89Å; T462-T464 VanDerWaalsContact C-N 3.25Å; T462-T464 PolarHBondContact O-N 3.17Å; T462-M465 WeakPolarHBondContact O-CB 3.49Å; T462-M465 PolarHBondContact O-N 3.24Å; T462-M465 VanDerWaalsContact O-N 3.13Å; T462-M465 WeakPolarHBondContact OG1-CB 3.49Å; T462-M465 VanDerWaalsContact OG1-CG 3.22Å; T462-M465 WeakPolarHBondContact OG1-CG 3.5Å; T462-M465 PolarHBondContact OG1-N 3.49Å; T462-M465 VanDerWaalsContact OG1-N 3.08Å; T462-Q466 WeakPolarHBondContact O-CG 3.43Å; T462-Q466 PolarHBondContact O-N 2.98Å | ||
| 463 | L | 93.2 | Very high | 83.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 174.1 | -76.2 | 171.7 | 0 | 0 | 0 | 111.3 | L424 I425 E428 D429 F432 M465 Q466 V467 L501 Y504 | L424-L463 HydrophobicContact CD1-CD2 4.13Å; L424-L463 HydrophobicContact CG-CD1 4.46Å; L424-L463 HydrophobicContact CG-CD2 4.34Å; I425-L463 HydrophobicContact CG1-CD1 4.38Å; E428-L463 HydrophobicContact CB-CD2 3.97Å; E428-L463 HydrophobicContact CB-CG 4.33Å; E428-L463 HydrophobicContact CG-CD2 4.43Å; D429-L463 HydrophobicContact CB-CB 4.31Å; D429-L463 HydrophobicContact CB-CD1 4.03Å; D429-L463 HydrophobicContact CB-CG 3.75Å; D429-L463 PolarHBondContact OD2-N 2.81Å; F432-L463 HydrophobicContact CB-CD1 4.48Å; F432-L463 HydrophobicContact CD2-CB 3.85Å; F432-L463 HydrophobicContact CD2-CD1 4.02Å; F432-L463 HydrophobicContact CD2-CG 4.48Å; F432-L463 HydrophobicContact CE2-CB 3.96Å; F432-L463 HydrophobicContact CE2-CD1 4.45Å; F432-L463 HydrophobicContact CG-CD1 4.15Å; L463-M465 PolarHBondContact O-N 3.18Å; L463-Q466 CarbonylContact O-C 3.53Å; L463-Q466 WeakPolarHBondContact O-CA 3.32Å; L463-Q466 WeakPolarHBondContact O-CB 3.36Å; L463-Q466 PolarHBondContact O-N 2.88Å; L463-V467 WeakPolarHBondContact O-CG2 3.42Å; L463-V467 PolarHBondContact O-N 3.26Å; L463-L501 HydrophobicContact CD1-CD1 4.27Å; L463-Y504 HydrophobicContact CD2-CD1 4.15Å; L463-Y504 HydrophobicContact CD2-CD2 3.93Å; L463-Y504 HydrophobicContact CD2-CE1 3.96Å; L463-Y504 HydrophobicContact CD2-CE2 3.72Å; L463-Y504 HydrophobicContact CD2-CG 4.14Å |
| 464 | T | 95.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.6 | -48.9 | 0 | 0 | 0 | 0 | 112.2 | T462 Q466 V467 A468 A488 L491 E492 I500 | T462-T464 VanDerWaalsContact C-N 3.25Å; T462-T464 PolarHBondContact O-N 3.17Å; T464-Q466 VanDerWaalsContact C-N 3.28Å; T464-Q466 PolarHBondContact O-N 3.15Å; T464-V467 PolarHBondContact O-N 3.26Å; T464-A468 WeakPolarHBondContact O-CB 3.3Å; T464-A468 PolarHBondContact O-N 3.47Å; T464-A488 HydrophobicContact CG2-CB 3.86Å; T464-A488 WeakPolarHBondContact CG2-O 3.5Å; T464-L491 HydrophobicContact CG2-CB 4.22Å; T464-E492 WeakPolarHBondContact CB-OE1 3.45Å; T464-E492 HydrophobicContact CG2-CG 3.59Å; T464-E492 WeakPolarHBondContact CG2-OE1 3.49Å; T464-E492 PolarHBondContact OG1-OE1 3.06Å; T464-I500 HydrophobicContact CG2-CD1 4.25Å; T464-I500 HydrophobicContact CG2-CG2 4.21Å |
| 465 | M | 92.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 173.1 | -73.2 | 173.3 | 67.3 | 0 | 0 | 111.3 | V438 T462 L463 A468 R469 Q484 A488 | V438-M465 HydrophobicContact CG1-SD 4.35Å; V438-M465 HydrophobicContact CG2-CG 4.4Å; V438-M465 HydrophobicContact CG2-SD 4.32Å; T462-M465 WeakPolarHBondContact O-CB 3.49Å; T462-M465 PolarHBondContact O-N 3.24Å; T462-M465 VanDerWaalsContact O-N 3.13Å; T462-M465 WeakPolarHBondContact OG1-CB 3.49Å; T462-M465 VanDerWaalsContact OG1-CG 3.22Å; T462-M465 WeakPolarHBondContact OG1-CG 3.5Å; T462-M465 PolarHBondContact OG1-N 3.49Å; T462-M465 VanDerWaalsContact OG1-N 3.08Å; L463-M465 PolarHBondContact O-N 3.18Å; M465-A468 PolarHBondContact O-N 2.72Å; M465-R469 PolarHBondContact O-N 3.07Å; M465-R469 VanDerWaalsContact O-N 3.09Å; M465-Q484 HydrophobicContact CB-CG 4.27Å; M465-Q484 WeakPolarHBondContact O-CG 3.46Å; M465-Q484 PolarHBondContact O-NE2 2.8Å; M465-A488 HydrophobicContact CB-CB 4.37Å; M465-A488 HydrophobicContact CG-CB 3.65Å |
| 466 | Q | 92.8 | Very high | 84.9 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 175.6 | -64.3 | -172.7 | 45.3 | 0 | 0 | 111.4 | E428 T462 L463 T464 R469 L470 Y504 | E428-Q466 PolarHBondContact OE2-NE2 2.82Å; T462-Q466 WeakPolarHBondContact O-CG 3.43Å; T462-Q466 PolarHBondContact O-N 2.98Å; L463-Q466 CarbonylContact O-C 3.53Å; L463-Q466 WeakPolarHBondContact O-CA 3.32Å; L463-Q466 WeakPolarHBondContact O-CB 3.36Å; L463-Q466 PolarHBondContact O-N 2.88Å; T464-Q466 VanDerWaalsContact C-N 3.28Å; T464-Q466 PolarHBondContact O-N 3.15Å; Q466-R469 PolarHBondContact O-N 3.32Å; Q466-L470 VanDerWaalsContact O-CG 3.31Å; Q466-L470 WeakPolarHBondContact O-CG 3.3Å; Q466-L470 PolarHBondContact O-N 2.92Å; Q466-Y504 HydrophobicContact CB-CD2 4.32Å; Q466-Y504 HydrophobicContact CB-CE2 4.02Å |
| 467 | V | 94.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 173.8 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | L463 T464 R469 L470 L471 L491 I500 L503 Y504 | L463-V467 WeakPolarHBondContact O-CG2 3.42Å; L463-V467 PolarHBondContact O-N 3.26Å; T464-V467 PolarHBondContact O-N 3.26Å; V467-R469 VanDerWaalsContact C-N 3.27Å; V467-R469 PolarHBondContact O-N 3.38Å; V467-L470 WeakPolarHBondContact O-CB 3.49Å; V467-L470 PolarHBondContact O-N 3.04Å; V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.19Å; V467-L471 WeakPolarHBondContact O-CG 3.29Å; V467-L471 PolarHBondContact O-N 3.4Å; V467-L491 HydrophobicContact CB-CD1 4.26Å; V467-L491 HydrophobicContact CG1-CD1 3.87Å; V467-I500 HydrophobicContact CB-CG2 4.47Å; V467-I500 HydrophobicContact CG2-CG2 4.15Å; V467-L503 HydrophobicContact CG1-CB 3.93Å; V467-L503 HydrophobicContact CG1-CD1 4.22Å; V467-Y504 HydrophobicContact CG2-CD2 4.02Å; V467-Y504 HydrophobicContact CG2-CG 4.31Å |
| 468 | A | 94.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.7 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T464 M465 L471 D472 Q484 R487 A488 L491 | T464-A468 WeakPolarHBondContact O-CB 3.3Å; T464-A468 PolarHBondContact O-N 3.47Å; M465-A468 PolarHBondContact O-N 2.72Å; A468-L471 PolarHBondContact O-N 3.39Å; A468-D472 PolarHBondContact O-N 3.02Å; A468-Q484 HydrophobicContact CB-CG 4.47Å; A468-R487 HydrophobicContact CB-CB 3.75Å; A468-A488 HydrophobicContact CB-CB 4.36Å; A468-L491 HydrophobicContact CB-CD1 3.88Å |
| 469 | R | 92.2 | Very high | 87.3 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.7 | -32.1 | 176.5 | -176.9 | -176.2 | 68.6 | 177.5 | 0.2 | 113.1 | M465 Q466 V467 P473 Q484 | M465-R469 PolarHBondContact O-N 3.07Å; M465-R469 VanDerWaalsContact O-N 3.09Å; Q466-R469 PolarHBondContact O-N 3.32Å; V467-R469 VanDerWaalsContact C-N 3.27Å; V467-R469 PolarHBondContact O-N 3.38Å; R469-P473 WeakPolarHBondContact O-CA 3.36Å; R469-Q484 HydrophobicContact CB-CG 4.28Å |
| 470 | L | 92 | Very high | 88.3 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.5 | -33.9 | 177.2 | -68.4 | 169.2 | 0 | 0 | 0 | 111.9 | Q466 V467 R507 P509 | Q466-L470 VanDerWaalsContact O-CG 3.31Å; Q466-L470 WeakPolarHBondContact O-CG 3.3Å; Q466-L470 PolarHBondContact O-N 2.92Å; V467-L470 WeakPolarHBondContact O-CB 3.49Å; V467-L470 PolarHBondContact O-N 3.04Å; L470-R507 HydrophobicContact CD1-CB 4.34Å; L470-P509 HydrophobicContact CD2-CG 4.47Å |
| 471 | L | 92 | Very high | 88.7 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -83.5 | -36.9 | 178.6 | -64.8 | 178 | 0 | 0 | 0 | 113.2 | V467 A468 L491 L503 | V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.19Å; V467-L471 WeakPolarHBondContact O-CG 3.29Å; V467-L471 PolarHBondContact O-N 3.4Å; A468-L471 PolarHBondContact O-N 3.39Å; L471-L491 HydrophobicContact CD1-CD1 4.29Å; L471-L491 HydrophobicContact CD1-CD2 3.88Å; L471-L503 HydrophobicContact CD1-CD1 4.47Å |
| 472 | D | 91.3 | Very high | 88.8 | Confident | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -128.2 | 76 | -179.3 | -173.2 | 21.9 | 0 | 0 | 0 | 109.8 | A468 H474 R483 R487 | A468-D472 PolarHBondContact O-N 3.02Å; D472-H474 PolarHBondContact O-CD2 2.8Å; D472-H474 PolarHBondContact O-N 3.29Å; D472-R483 IonicContact OD1-CZ 3.28Å; D472-R483 IonicContact OD1-NE 2.83Å; D472-R483 IonicContact OD1-NH2 2.91Å; D472-R483 PolarHBondContact OD1-NH2 3.48Å; D472-R483 IonicContact OD2-CZ 3.87Å; D472-R483 VanDerWaalsContact OD2-CZ 3.28Å; D472-R483 IonicContact OD2-NE 3.47Å; D472-R483 PolarHBondContact OD2-NE 3.22Å; D472-R483 IonicContact OD2-NH2 2.77Å; D472-R483 PolarHBondContact OD2-NH2 3.24Å; D472-R487 IonicContact OD2-CZ 3.71Å; D472-R487 IonicContact OD2-NE 2.92Å; D472-R487 PolarHBondContact OD2-NE 3.26Å; D472-R487 IonicContact OD2-NH2 3.62Å |
| 473 | P | 87.4 | Confident | 88.7 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 66% | 0.656 | 32% | 0.318 | S | S | * | . | trans | -56.4 | 131.1 | 179.7 | -25 | 34.6 | 0 | 0 | 0 | 112 | R469 | R469-P473 WeakPolarHBondContact O-CA 3.36Š| ||
| 474 | H | 85.6 | Confident | 88.6 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | -135.3 | 158.2 | -178.4 | 58.4 | 73.1 | 0 | 0 | 0 | 111.3 | D472 G480 Q484 | D472-H474 PolarHBondContact O-CD2 2.8Å; D472-H474 PolarHBondContact O-N 3.29Å; H474-G480 PolarHBondContact CE1-O 3.23Å; H474-G480 VanDerWaalsContact CE1-O 3.27Å; H474-G480 PolarHBondContact ND1-O 3.39Å; H474-Q484 VanDerWaalsContact NE2-CB 3.33Å; H474-Q484 WeakPolarHBondContact NE2-CB 3.26Å; H474-Q484 WeakPolarHBondContact NE2-CG 3.16Å | ||
| 475 | P | 82.5 | Confident | 88.4 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | trans | -55.8 | 148.7 | 174.9 | -25.7 | 34.9 | 0 | 0 | 0 | 112.4 | T477 | P475-T477 HydrophobicContact CB-CG2 4.05Å; P475-T477 PolarHBondContact O-N 3.14Å | ||
| 476 | K | 79.2 | Confident | 88.4 | Confident | 211 Ų | 211 | 73.6 Ų | 73.6 | 92% | 0.917 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77.7 | 51.5 | 175.2 | -64.9 | -175.6 | -177.6 | 176.8 | 0 | 111.7 | ||
| 477 | T | 81.9 | Confident | 88.5 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -108.3 | 165.6 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | P475 G479 G480 K481 | P475-T477 HydrophobicContact CB-CG2 4.05Å; P475-T477 PolarHBondContact O-N 3.14Å; T477-G479 VanDerWaalsContact C-N 3.28Å; T477-G479 PolarHBondContact O-N 2.84Å; T477-G480 PolarHBondContact O-N 2.84Å; T477-G480 VanDerWaalsContact O-N 3.13Å; T477-G480 PolarHBondContact OG1-N 3.4Å; T477-G480 VanDerWaalsContact OG1-N 3.16Å; T477-K481 PolarHBondContact O-N 2.94Å |
| 478 | F | 80.2 | Confident | 88.4 | Confident | 167 Ų | 167 | 77 Ų | 77 | 73% | 0.732 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57 | -43 | 174.9 | -173.1 | -103.7 | 0 | 0 | 0 | 111.8 | G480 K481 I482 | F478-G480 PolarHBondContact O-N 3.33Å; F478-K481 WeakPolarHBondContact O-CB 3.49Å; F478-K481 PolarHBondContact O-N 2.96Å; F478-K481 VanDerWaalsContact O-N 3.16Å; F478-I482 HydrophobicContact CD1-CD1 3.82Å; F478-I482 HydrophobicContact CE1-CD1 3.48Å; F478-I482 VanDerWaalsContact CE1-CD1 3.48Å; F478-I482 HydrophobicContact CE1-CG1 4.33Å; F478-I482 HydrophobicContact CZ-CD1 4.17Å; F478-I482 PolarHBondContact O-N 3.34Å |
| 479 | G | 85.3 | Confident | 88.4 | Confident | 47 Ų | 47 | 79.7 Ų | 79.7 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T477 K481 I482 R483 | T477-G479 VanDerWaalsContact C-N 3.28Å; T477-G479 PolarHBondContact O-N 2.84Å; G479-K481 VanDerWaalsContact C-N 3.34Å; G479-K481 PolarHBondContact O-N 2.88Å; G479-I482 PolarHBondContact O-N 3.1Å; G479-R483 PolarHBondContact O-N 2.83Å |
| 480 | G | 87.2 | Confident | 88.5 | Confident | 5 Ų | 5 | 79.1 Ų | 79.1 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H474 T477 F478 I482 R483 Q484 | H474-G480 PolarHBondContact CE1-O 3.23Å; H474-G480 VanDerWaalsContact CE1-O 3.27Å; H474-G480 PolarHBondContact ND1-O 3.39Å; T477-G480 PolarHBondContact O-N 2.84Å; T477-G480 VanDerWaalsContact O-N 3.13Å; T477-G480 PolarHBondContact OG1-N 3.4Å; T477-G480 VanDerWaalsContact OG1-N 3.16Å; F478-G480 PolarHBondContact O-N 3.33Å; G480-I482 VanDerWaalsContact C-N 3.35Å; G480-I482 PolarHBondContact O-N 2.83Å; G480-R483 WeakPolarHBondContact O-CB 3.16Å; G480-R483 PolarHBondContact O-N 3.37Å; G480-Q484 PolarHBondContact O-N 2.94Å |
| 481 | K | 85 | Confident | 88.6 | Confident | 100 Ų | 100 | 78.1 Ų | 78.1 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 176.6 | -162.9 | 172.4 | -177.1 | -178.8 | 0 | 112.6 | T477 F478 G479 Q484 L485 | T477-K481 PolarHBondContact O-N 2.94Å; F478-K481 WeakPolarHBondContact O-CB 3.49Å; F478-K481 PolarHBondContact O-N 2.96Å; F478-K481 VanDerWaalsContact O-N 3.16Å; G479-K481 VanDerWaalsContact C-N 3.34Å; G479-K481 PolarHBondContact O-N 2.88Å; K481-Q484 WeakPolarHBondContact O-CB 3.39Å; K481-Q484 PolarHBondContact O-N 2.77Å; K481-L485 PolarHBondContact O-N 2.9Å |
| 482 | I | 87.7 | Confident | 88.7 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 172 | -69.6 | 170.5 | 0 | 0 | 0 | 110.8 | F478 G479 G480 Q484 L485 W486 | F478-I482 HydrophobicContact CD1-CD1 3.82Å; F478-I482 HydrophobicContact CE1-CD1 3.48Å; F478-I482 VanDerWaalsContact CE1-CD1 3.48Å; F478-I482 HydrophobicContact CE1-CG1 4.33Å; F478-I482 HydrophobicContact CZ-CD1 4.17Å; F478-I482 PolarHBondContact O-N 3.34Å; G479-I482 PolarHBondContact O-N 3.1Å; G480-I482 VanDerWaalsContact C-N 3.35Å; G480-I482 PolarHBondContact O-N 2.83Å; I482-Q484 VanDerWaalsContact C-N 3.27Å; I482-Q484 PolarHBondContact O-N 3Å; I482-L485 WeakPolarHBondContact O-CB 3.44Å; I482-L485 PolarHBondContact O-N 3.15Å; I482-L485 VanDerWaalsContact O-N 3.11Å; I482-W486 VanDerWaalsContact O-CD1 3.24Å; I482-W486 PolarHBondContact O-N 3.2Å |
| 483 | R | 90.8 | Very high | 88.9 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 173.8 | -179.7 | 177 | 174.5 | 159.9 | -4.1 | 111.2 | D472 G479 G480 L485 W486 R487 | D472-R483 IonicContact OD1-CZ 3.28Å; D472-R483 IonicContact OD1-NE 2.83Å; D472-R483 IonicContact OD1-NH2 2.91Å; D472-R483 PolarHBondContact OD1-NH2 3.48Å; D472-R483 IonicContact OD2-CZ 3.87Å; D472-R483 VanDerWaalsContact OD2-CZ 3.28Å; D472-R483 IonicContact OD2-NE 3.47Å; D472-R483 PolarHBondContact OD2-NE 3.22Å; D472-R483 IonicContact OD2-NH2 2.77Å; D472-R483 PolarHBondContact OD2-NH2 3.24Å; G479-R483 PolarHBondContact O-N 2.83Å; G480-R483 WeakPolarHBondContact O-CB 3.16Å; G480-R483 PolarHBondContact O-N 3.37Å; R483-L485 VanDerWaalsContact C-N 3.31Å; R483-L485 PolarHBondContact O-N 3.04Å; R483-W486 PolarHBondContact O-N 3.17Å; R483-R487 HydrophobicContact CG-CG 4.34Å; R483-R487 WeakPolarHBondContact O-CB 3.37Å; R483-R487 VanDerWaalsContact O-CG 3.31Å; R483-R487 WeakPolarHBondContact O-CG 3.37Å; R483-R487 PolarHBondContact O-N 2.8Å |
| 484 | Q | 91.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 86.7 Ų | 86.7 | 5% | 0.047 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 174.9 | -160.7 | -178.1 | 3.2 | 0 | 0 | 112.5 | M465 A468 R469 H474 G480 K481 I482 R487 A488 | M465-Q484 HydrophobicContact CB-CG 4.27Å; M465-Q484 WeakPolarHBondContact O-CG 3.46Å; M465-Q484 PolarHBondContact O-NE2 2.8Å; A468-Q484 HydrophobicContact CB-CG 4.47Å; R469-Q484 HydrophobicContact CB-CG 4.28Å; H474-Q484 VanDerWaalsContact NE2-CB 3.33Å; H474-Q484 WeakPolarHBondContact NE2-CB 3.26Å; H474-Q484 WeakPolarHBondContact NE2-CG 3.16Å; G480-Q484 PolarHBondContact O-N 2.94Å; K481-Q484 WeakPolarHBondContact O-CB 3.39Å; K481-Q484 PolarHBondContact O-N 2.77Å; I482-Q484 VanDerWaalsContact C-N 3.27Å; I482-Q484 PolarHBondContact O-N 3Å; Q484-R487 PolarHBondContact O-N 3.06Å; Q484-A488 WeakPolarHBondContact O-CB 3.3Å; Q484-A488 PolarHBondContact O-N 3.27Å |
| 485 | L | 90.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -50.4 | 179.2 | -166.4 | 161.5 | 0 | 0 | 0 | 110.4 | V438 K481 I482 R483 R487 A488 L489 | V438-L485 HydrophobicContact CG1-CD1 4.3Å; V438-L485 HydrophobicContact CG1-CG 4.21Å; V438-L485 HydrophobicContact CG2-CD2 3.89Å; V438-L485 HydrophobicContact CG2-CG 3.67Å; K481-L485 PolarHBondContact O-N 2.9Å; I482-L485 WeakPolarHBondContact O-CB 3.44Å; I482-L485 PolarHBondContact O-N 3.15Å; I482-L485 VanDerWaalsContact O-N 3.11Å; R483-L485 VanDerWaalsContact C-N 3.31Å; R483-L485 PolarHBondContact O-N 3.04Å; L485-R487 PolarHBondContact O-N 3.36Å; L485-A488 WeakPolarHBondContact O-CB 3.5Å; L485-A488 PolarHBondContact O-N 3.38Å; L485-L489 HydrophobicContact CD2-CD1 3.8Å; L485-L489 HydrophobicContact CD2-CG 4.23Å; L485-L489 WeakPolarHBondContact O-CG 3.47Å; L485-L489 PolarHBondContact O-N 3.34Å |
| 486 | W | 92.9 | Very high | 90.3 | Very high | 172 Ų | 172 | 85.8 Ų | 85.8 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 177.5 | -75.4 | 108.8 | 0 | 0 | 0 | 113 | I482 R483 A488 L489 Q490 | I482-W486 VanDerWaalsContact O-CD1 3.24Å; I482-W486 PolarHBondContact O-N 3.2Å; R483-W486 PolarHBondContact O-N 3.17Å; W486-A488 VanDerWaalsContact C-N 3.32Å; W486-A488 PolarHBondContact O-N 3.35Å; W486-L489 HydrophobicContact CE3-CD1 4.12Å; W486-L489 HydrophobicContact CZ3-CD1 4.34Å; W486-L489 PolarHBondContact O-N 3.43Å; W486-Q490 WeakPolarHBondContact O-CB 3.34Å; W486-Q490 PolarHBondContact O-N 2.98Å |
| 487 | R | 94.1 | Very high | 91.1 | Very high | 92 Ų | 92 | 77.3 Ų | 77.3 | 35% | 0.347 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 174.3 | -70.9 | -61.7 | -168.5 | -156 | -3.2 | 112.2 | A468 D472 R483 Q484 L485 Q490 L491 | A468-R487 HydrophobicContact CB-CB 3.75Å; D472-R487 IonicContact OD2-CZ 3.71Å; D472-R487 IonicContact OD2-NE 2.92Å; D472-R487 PolarHBondContact OD2-NE 3.26Å; D472-R487 IonicContact OD2-NH2 3.62Å; R483-R487 HydrophobicContact CG-CG 4.34Å; R483-R487 WeakPolarHBondContact O-CB 3.37Å; R483-R487 VanDerWaalsContact O-CG 3.31Å; R483-R487 WeakPolarHBondContact O-CG 3.37Å; R483-R487 PolarHBondContact O-N 2.8Å; Q484-R487 PolarHBondContact O-N 3.06Å; L485-R487 PolarHBondContact O-N 3.36Å; R487-Q490 PolarHBondContact O-N 3.43Å; R487-L491 WeakPolarHBondContact O-CG 3.24Å; R487-L491 PolarHBondContact O-N 2.9Å |
| 488 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V438 T464 M465 A468 Q484 L485 W486 Q490 L491 E492 | V438-A488 HydrophobicContact CG2-CB 4.3Å; T464-A488 HydrophobicContact CG2-CB 3.86Å; T464-A488 WeakPolarHBondContact CG2-O 3.5Å; M465-A488 HydrophobicContact CB-CB 4.37Å; M465-A488 HydrophobicContact CG-CB 3.65Å; A468-A488 HydrophobicContact CB-CB 4.36Å; Q484-A488 WeakPolarHBondContact O-CB 3.3Å; Q484-A488 PolarHBondContact O-N 3.27Å; L485-A488 WeakPolarHBondContact O-CB 3.5Å; L485-A488 PolarHBondContact O-N 3.38Å; W486-A488 VanDerWaalsContact C-N 3.32Å; W486-A488 PolarHBondContact O-N 3.35Å; A488-Q490 VanDerWaalsContact C-N 3.32Å; A488-Q490 PolarHBondContact O-N 3.12Å; A488-L491 PolarHBondContact O-N 3.09Å; A488-E492 VanDerWaalsContact O-CG 3.3Å; A488-E492 WeakPolarHBondContact O-CG 3.18Å; A488-E492 PolarHBondContact O-N 3.12Å |
| 489 | L | 93.1 | Very high | 92.5 | Very high | 57 Ų | 57 | 75.7 Ų | 75.7 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 172.9 | -63.9 | 177 | 0 | 0 | 0 | 111.4 | P436 V438 L485 W486 E492 W493 | P436-L489 WeakPolarHBondContact O-CD2 3.4Å; V438-L489 HydrophobicContact CG2-CD2 4.09Å; V438-L489 HydrophobicContact CG2-CG 4.3Å; L485-L489 HydrophobicContact CD2-CD1 3.8Å; L485-L489 HydrophobicContact CD2-CG 4.23Å; L485-L489 WeakPolarHBondContact O-CG 3.47Å; L485-L489 PolarHBondContact O-N 3.34Å; W486-L489 HydrophobicContact CE3-CD1 4.12Å; W486-L489 HydrophobicContact CZ3-CD1 4.34Å; W486-L489 PolarHBondContact O-N 3.43Å; L489-E492 PolarHBondContact O-N 3.19Å; L489-W493 PolarHBondContact O-N 3.44Å; L489-W493 VanDerWaalsContact O-N 3.08Å |
| 490 | Q | 94.7 | Very high | 93 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.3 | -173.6 | -177.7 | 25.8 | 0 | 0 | 112.4 | W486 R487 A488 W493 H494 | W486-Q490 WeakPolarHBondContact O-CB 3.34Å; W486-Q490 PolarHBondContact O-N 2.98Å; R487-Q490 PolarHBondContact O-N 3.43Å; A488-Q490 VanDerWaalsContact C-N 3.32Å; A488-Q490 PolarHBondContact O-N 3.12Å; Q490-W493 WeakPolarHBondContact O-CB 3.41Å; Q490-W493 PolarHBondContact O-N 2.92Å; Q490-H494 PolarHBondContact O-N 3.11Å; Q490-H494 PolarHBondContact O-ND1 3.25Å |
| 491 | L | 95.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.6 | -75.6 | 172.7 | 0 | 0 | 0 | 111.4 | T464 V467 A468 L471 R487 A488 W493 H494 L495 I500 | T464-L491 HydrophobicContact CG2-CB 4.22Å; V467-L491 HydrophobicContact CB-CD1 4.26Å; V467-L491 HydrophobicContact CG1-CD1 3.87Å; A468-L491 HydrophobicContact CB-CD1 3.88Å; L471-L491 HydrophobicContact CD1-CD1 4.29Å; L471-L491 HydrophobicContact CD1-CD2 3.88Å; R487-L491 WeakPolarHBondContact O-CG 3.24Å; R487-L491 PolarHBondContact O-N 2.9Å; A488-L491 PolarHBondContact O-N 3.09Å; L491-W493 VanDerWaalsContact C-N 3.26Å; L491-W493 PolarHBondContact O-N 3.3Å; L491-H494 PolarHBondContact O-N 3.46Å; L491-H494 VanDerWaalsContact O-N 3.16Å; L491-L495 HydrophobicContact CD2-CD1 4Å; L491-L495 WeakPolarHBondContact O-CB 3.31Å; L491-L495 PolarHBondContact O-N 3.36Å; L491-I500 HydrophobicContact CB-CD1 4.46Å |
| 492 | E | 94.5 | Very high | 94 | Very high | 37 Ų | 37 | 70.2 Ų | 70.2 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -23.5 | 179.8 | -63.9 | -94.2 | -177.4 | 0 | 0 | 113.3 | G437 T464 A488 L489 K497 I500 | G437-E492 VanDerWaalsContact CA-CG 3.45Å; G437-E492 WeakPolarHBondContact CA-OE1 3.21Å; G437-E492 PolarHBondContact N-OE1 3.44Å; T464-E492 WeakPolarHBondContact CB-OE1 3.45Å; T464-E492 HydrophobicContact CG2-CG 3.59Å; T464-E492 WeakPolarHBondContact CG2-OE1 3.49Å; T464-E492 PolarHBondContact OG1-OE1 3.06Å; A488-E492 VanDerWaalsContact O-CG 3.3Å; A488-E492 WeakPolarHBondContact O-CG 3.18Å; A488-E492 PolarHBondContact O-N 3.12Å; L489-E492 PolarHBondContact O-N 3.19Å; E492-K497 IonicContact OE1-NZ 2.72Å; E492-K497 PolarHBondContact OE1-NZ 3.35Å; E492-K497 WeakPolarHBondContact OE2-CD 3.25Å; E492-K497 WeakPolarHBondContact OE2-CE 2.99Å; E492-K497 IonicContact OE2-NZ 3.54Å; E492-K497 PolarHBondContact OE2-NZ 2.99Å; E492-I500 HydrophobicContact CB-CD1 4.47Å; E492-I500 HydrophobicContact CG-CD1 3.87Å |
| 493 | W | 94.4 | Very high | 94.4 | Very high | 219 Ų | 219 | 68.6 Ų | 68.6 | 83% | 0.83 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.9 | -42 | 170.8 | -169 | -50.4 | 0 | 0 | 0 | 111 | L489 Q490 L491 | L489-W493 PolarHBondContact O-N 3.44Å; L489-W493 VanDerWaalsContact O-N 3.08Å; Q490-W493 WeakPolarHBondContact O-CB 3.41Å; Q490-W493 PolarHBondContact O-N 2.92Å; L491-W493 VanDerWaalsContact C-N 3.26Å; L491-W493 PolarHBondContact O-N 3.3Å |
| 494 | H | 95.8 | Very high | 94.6 | Very high | 132 Ų | 132 | 63 Ų | 63 | 61% | 0.611 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -98.5 | -21.7 | -169.5 | -66.5 | 81.6 | 0 | 0 | 0 | 114.4 | Q490 L491 | Q490-H494 PolarHBondContact O-N 3.11Å; Q490-H494 PolarHBondContact O-ND1 3.25Å; L491-H494 PolarHBondContact O-N 3.46Å; L491-H494 VanDerWaalsContact O-N 3.16Å |
| 495 | L | 94.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -127.3 | 141.4 | -174.2 | -59.7 | 178.1 | 0 | 0 | 0 | 110.2 | L491 E499 I500 L503 | L491-L495 HydrophobicContact CD2-CD1 4Å; L491-L495 WeakPolarHBondContact O-CB 3.31Å; L491-L495 PolarHBondContact O-N 3.36Å; L495-E499 HydrophobicContact CB-CB 4.07Å; L495-E499 HydrophobicContact CD2-CB 4.37Å; L495-I500 HydrophobicContact CB-CD1 4.27Å; L495-I500 HydrophobicContact CB-CG1 3.79Å; L495-I500 HydrophobicContact CD1-CG1 4.36Å; L495-L503 HydrophobicContact CD1-CD1 3.4Å |
| 496 | S | 95.2 | Very high | 95.1 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | trans | -65.4 | 158.4 | 169.3 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | R498 E499 I500 | S496-R498 PolarHBondContact O-N 3.38Å; S496-R498 VanDerWaalsContact O-N 3.14Å; S496-E499 VanDerWaalsContact CB-OE2 3.29Å; S496-E499 WeakPolarHBondContact CB-OE2 3.46Å; S496-E499 PolarHBondContact N-OE2 3.46Å; S496-E499 PolarHBondContact O-N 2.84Å; S496-E499 WeakPolarHBondContact OG-CG 3.49Å; S496-E499 PolarHBondContact OG-N 3.1Å; S496-E499 PolarHBondContact OG-OE2 3.35Å; S496-I500 WeakPolarHBondContact O-CG1 3.39Å; S496-I500 PolarHBondContact O-N 3.38Å | ||
| 497 | K | 95 | Very high | 95.2 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.8 | -35.7 | 172.4 | -70.1 | -67.3 | -174.8 | 177.8 | 0 | 113 | F432 W433 H435 E492 L501 | F432-K497 HydrophobicContact CD2-CD 4.48Å; F432-K497 HydrophobicContact CE1-CB 4Å; F432-K497 HydrophobicContact CE1-CD 4.07Å; F432-K497 HydrophobicContact CE2-CD 4.02Å; F432-K497 HydrophobicContact CZ-CB 4.16Å; F432-K497 HydrophobicContact CZ-CD 3.8Å; F432-K497 WeakPolarHBondContact CZ-O 3.15Å; F432-K497 WeakPolarHBondContact O-CD 3.49Å; F432-K497 WeakPolarHBondContact O-CE 3.29Å; F432-K497 PolarHBondContact O-NZ 2.99Å; W433-K497 HydrophobicContact CE3-CB 3.58Å; W433-K497 HydrophobicContact CE3-CG 4.1Å; W433-K497 HydrophobicContact CZ3-CB 3.45Å; W433-K497 VanDerWaalsContact CZ3-CB 3.45Å; W433-K497 HydrophobicContact CZ3-CG 4.45Å; H435-K497 WeakPolarHBondContact O-CE 3.18Å; H435-K497 PolarHBondContact O-NZ 3.01Å; E492-K497 IonicContact OE1-NZ 2.72Å; E492-K497 PolarHBondContact OE1-NZ 3.35Å; E492-K497 WeakPolarHBondContact OE2-CD 3.25Å; E492-K497 WeakPolarHBondContact OE2-CE 2.99Å; E492-K497 IonicContact OE2-NZ 3.54Å; E492-K497 PolarHBondContact OE2-NZ 2.99Å; K497-L501 VanDerWaalsContact O-CB 3.31Å; K497-L501 WeakPolarHBondContact O-CB 3.46Å; K497-L501 PolarHBondContact O-N 3.46Å |
| 498 | R | 95.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.4 | -41.7 | 178.9 | -71.3 | 177.7 | 54.1 | 80.7 | 8.6 | 111.6 | I413 E414 W433 S496 L501 T502 | I413-R498 HydrophobicContact CD1-CB 3.71Å; I413-R498 HydrophobicContact CD1-CG 3.87Å; I413-R498 WeakPolarHBondContact CD1-O 3.27Å; E414-R498 IonicContact OE1-CZ 3.6Å; E414-R498 IonicContact OE1-NH1 2.64Å; E414-R498 PolarHBondContact OE1-NH1 3.35Å; E414-R498 IonicContact OE1-NH2 3.43Å; E414-R498 PolarHBondContact OE1-NH2 2.8Å; E414-R498 IonicContact OE2-NH2 3.45Å; E414-R498 PolarHBondContact OE2-NH2 2.76Å; W433-R498 HydrophobicContact CH2-CG 4.35Å; W433-R498 HydrophobicContact CZ3-CG 4.2Å; S496-R498 PolarHBondContact O-N 3.38Å; S496-R498 VanDerWaalsContact O-N 3.14Å; R498-L501 PolarHBondContact O-N 2.96Å; R498-T502 WeakPolarHBondContact O-CB 3.34Å; R498-T502 PolarHBondContact O-N 3.43Å; R498-T502 PolarHBondContact O-OG1 2.69Å |
| 499 | E | 95.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 175.2 | -71.7 | 162.5 | 124.9 | 0 | 0 | 111.6 | L495 S496 L501 T502 L503 | L495-E499 HydrophobicContact CB-CB 4.07Å; L495-E499 HydrophobicContact CD2-CB 4.37Å; S496-E499 VanDerWaalsContact CB-OE2 3.29Å; S496-E499 WeakPolarHBondContact CB-OE2 3.46Å; S496-E499 PolarHBondContact N-OE2 3.46Å; S496-E499 PolarHBondContact O-N 2.84Å; S496-E499 WeakPolarHBondContact OG-CG 3.49Å; S496-E499 PolarHBondContact OG-N 3.1Å; S496-E499 PolarHBondContact OG-OE2 3.35Å; E499-L501 PolarHBondContact O-N 3.22Å; E499-T502 WeakPolarHBondContact O-CB 3.44Å; E499-T502 PolarHBondContact O-N 2.88Å; E499-L503 WeakPolarHBondContact O-CG 3.37Å; E499-L503 PolarHBondContact O-N 2.54Å |
| 500 | I | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.4 | -65.2 | 165.5 | 0 | 0 | 0 | 110.9 | F432 T464 V467 L491 E492 L495 S496 L503 Y504 | F432-I500 HydrophobicContact CE2-CG2 4.29Å; F432-I500 HydrophobicContact CZ-CG2 4.39Å; T464-I500 HydrophobicContact CG2-CD1 4.25Å; T464-I500 HydrophobicContact CG2-CG2 4.21Å; V467-I500 HydrophobicContact CB-CG2 4.47Å; V467-I500 HydrophobicContact CG2-CG2 4.15Å; L491-I500 HydrophobicContact CB-CD1 4.46Å; E492-I500 HydrophobicContact CB-CD1 4.47Å; E492-I500 HydrophobicContact CG-CD1 3.87Å; L495-I500 HydrophobicContact CB-CD1 4.27Å; L495-I500 HydrophobicContact CB-CG1 3.79Å; L495-I500 HydrophobicContact CD1-CG1 4.36Å; S496-I500 WeakPolarHBondContact O-CG1 3.39Å; S496-I500 PolarHBondContact O-N 3.38Å; I500-L503 WeakPolarHBondContact O-CB 3.49Å; I500-L503 PolarHBondContact O-N 3.13Å; I500-Y504 PolarHBondContact O-N 3.35Å |
| 501 | L | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 175.9 | -175.8 | 57.5 | 0 | 0 | 0 | 110.7 | I413 L421 L424 I425 F432 W433 L463 K497 R498 E499 L503 Y504 L505 | I413-L501 HydrophobicContact CD1-CB 4.25Å; I413-L501 HydrophobicContact CD1-CD2 4.02Å; I413-L501 HydrophobicContact CD1-CG 4.38Å; I413-L501 HydrophobicContact CG1-CD2 4.29Å; I413-L501 HydrophobicContact CG1-CG 4.44Å; L421-L501 HydrophobicContact CD2-CD2 4.27Å; L424-L501 HydrophobicContact CD2-CD1 4.09Å; I425-L501 HydrophobicContact CD1-CD2 4.25Å; F432-L501 HydrophobicContact CE1-CB 4Å; F432-L501 HydrophobicContact CE1-CD2 4.32Å; F432-L501 HydrophobicContact CZ-CB 3.99Å; W433-L501 HydrophobicContact CH2-CD2 4Å; W433-L501 HydrophobicContact CZ2-CD2 4.03Å; L463-L501 HydrophobicContact CD1-CD1 4.27Å; K497-L501 VanDerWaalsContact O-CB 3.31Å; K497-L501 WeakPolarHBondContact O-CB 3.46Å; K497-L501 PolarHBondContact O-N 3.46Å; R498-L501 PolarHBondContact O-N 2.96Å; E499-L501 PolarHBondContact O-N 3.22Å; L501-L503 VanDerWaalsContact C-N 3.3Å; L501-L503 PolarHBondContact O-N 3.06Å; L501-Y504 WeakPolarHBondContact O-CA 3.5Å; L501-Y504 WeakPolarHBondContact O-CB 3.2Å; L501-Y504 PolarHBondContact O-N 3.38Å; L501-L505 HydrophobicContact CG-CD1 4.41Å; L501-L505 HydrophobicContact CG-CG 4.43Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.4Å |
| 502 | T | 96.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | R498 E499 Y504 L505 N506 | R498-T502 WeakPolarHBondContact O-CB 3.34Å; R498-T502 PolarHBondContact O-N 3.43Å; R498-T502 PolarHBondContact O-OG1 2.69Å; E499-T502 WeakPolarHBondContact O-CB 3.44Å; E499-T502 PolarHBondContact O-N 2.88Å; T502-Y504 VanDerWaalsContact C-N 3.35Å; T502-Y504 PolarHBondContact O-N 3.48Å; T502-L505 PolarHBondContact O-N 3.44Å; T502-N506 PolarHBondContact O-N 2.93Å; T502-N506 VanDerWaalsContact O-N 3.14Å; T502-N506 PolarHBondContact O-ND2 2.87Å |
| 503 | L | 95.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 173.9 | -71.3 | 170.3 | 0 | 0 | 0 | 111.7 | V467 L471 L495 E499 I500 L501 N506 R507 | V467-L503 HydrophobicContact CG1-CB 3.93Å; V467-L503 HydrophobicContact CG1-CD1 4.22Å; L471-L503 HydrophobicContact CD1-CD1 4.47Å; L495-L503 HydrophobicContact CD1-CD1 3.4Å; E499-L503 WeakPolarHBondContact O-CG 3.37Å; E499-L503 PolarHBondContact O-N 2.54Å; I500-L503 WeakPolarHBondContact O-CB 3.49Å; I500-L503 PolarHBondContact O-N 3.13Å; L501-L503 VanDerWaalsContact C-N 3.3Å; L501-L503 PolarHBondContact O-N 3.06Å; L503-N506 PolarHBondContact O-N 3.49Å; L503-R507 WeakPolarHBondContact O-CB 3.45Å; L503-R507 PolarHBondContact O-N 3.07Å |
| 504 | Y | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 174.7 | -174.8 | -90.8 | 0 | 0 | 0 | 111.4 | L424 L463 Q466 V467 I500 L501 T502 N506 R507 A508 | L424-Y504 HydrophobicContact CD1-CD1 4.44Å; L424-Y504 HydrophobicContact CD1-CE1 3.54Å; L424-Y504 HydrophobicContact CD2-CD1 3.76Å; L424-Y504 HydrophobicContact CD2-CE1 3.65Å; L424-Y504 HydrophobicContact CG-CE1 4.2Å; L463-Y504 HydrophobicContact CD2-CD1 4.15Å; L463-Y504 HydrophobicContact CD2-CD2 3.93Å; L463-Y504 HydrophobicContact CD2-CE1 3.96Å; L463-Y504 HydrophobicContact CD2-CE2 3.72Å; L463-Y504 HydrophobicContact CD2-CG 4.14Å; Q466-Y504 HydrophobicContact CB-CD2 4.32Å; Q466-Y504 HydrophobicContact CB-CE2 4.02Å; V467-Y504 HydrophobicContact CG2-CD2 4.02Å; V467-Y504 HydrophobicContact CG2-CG 4.31Å; I500-Y504 PolarHBondContact O-N 3.35Å; L501-Y504 WeakPolarHBondContact O-CA 3.5Å; L501-Y504 WeakPolarHBondContact O-CB 3.2Å; L501-Y504 PolarHBondContact O-N 3.38Å; T502-Y504 VanDerWaalsContact C-N 3.35Å; T502-Y504 PolarHBondContact O-N 3.48Å; Y504-N506 PolarHBondContact O-N 3.42Å; Y504-N506 VanDerWaalsContact O-N 3.09Å; Y504-R507 PolarHBondContact O-N 3.02Å; Y504-R507 VanDerWaalsContact O-N 3.17Å; Y504-A508 HydrophobicContact CD1-CB 4.16Å; Y504-A508 HydrophobicContact CD2-CB 4.32Å; Y504-A508 HydrophobicContact CE1-CB 3.83Å; Y504-A508 HydrophobicContact CE2-CB 3.99Å; Y504-A508 HydrophobicContact CG-CB 4.4Å; Y504-A508 VanDerWaalsContact O-CB 3.29Å; Y504-A508 WeakPolarHBondContact O-CB 3.48Å; Y504-A508 PolarHBondContact O-N 3.34Å |
| 505 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -29 | 179.8 | -66.1 | 177.8 | 0 | 0 | 0 | 112.6 | V411 I413 V416 Y420 L421 L424 L501 T502 G516 I517 | V411-L505 HydrophobicContact CG2-CB 4.17Å; I413-L505 HydrophobicContact CG1-CD1 4.15Å; V416-L505 HydrophobicContact CG2-CD1 4.19Å; Y420-L505 HydrophobicContact CD1-CD2 4.22Å; Y420-L505 HydrophobicContact CE1-CD2 3.49Å; Y420-L505 VanDerWaalsContact CE1-CD2 3.49Å; L421-L505 HydrophobicContact CD2-CD1 4.19Å; L421-L505 HydrophobicContact CD2-CD2 4.18Å; L424-L505 HydrophobicContact CD2-CD2 4.2Å; L501-L505 HydrophobicContact CG-CD1 4.41Å; L501-L505 HydrophobicContact CG-CG 4.43Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.4Å; T502-L505 PolarHBondContact O-N 3.44Å; L505-G516 CarbonylContact O-C 3.59Å; L505-G516 WeakPolarHBondContact O-CA 3.47Å; L505-I517 HydrophobicContact CB-CG2 4.13Å; L505-I517 HydrophobicContact CD2-CG2 4.14Å; L505-I517 PolarHBondContact O-N 2.85Å |
| 506 | N | 95.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -99.4 | -16.2 | -178.8 | -72 | -70.6 | 0 | 0 | 0 | 115 | Y409 P410 V411 T502 L503 Y504 | Y409-N506 PolarHBondContact O-OD1 3.22Å; P410-N506 VanDerWaalsContact CA-OD1 3.26Å; P410-N506 WeakPolarHBondContact CA-OD1 3.41Å; V411-N506 PolarHBondContact N-OD1 2.92Å; V411-N506 PolarHBondContact O-ND2 3.17Å; T502-N506 PolarHBondContact O-N 2.93Å; T502-N506 VanDerWaalsContact O-N 3.14Å; T502-N506 PolarHBondContact O-ND2 2.87Å; L503-N506 PolarHBondContact O-N 3.49Å; Y504-N506 PolarHBondContact O-N 3.42Å; Y504-N506 VanDerWaalsContact O-N 3.09Å |
| 507 | R | 94.6 | Very high | 94.5 | Very high | 98 Ų | 98 | 31 Ų | 31 | 37% | 0.37 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -120.7 | -13.7 | -173.4 | -66.5 | -168 | 163.3 | 123.2 | -3.6 | 115.1 | L470 L503 Y504 | L470-R507 HydrophobicContact CD1-CB 4.34Å; L503-R507 WeakPolarHBondContact O-CB 3.45Å; L503-R507 PolarHBondContact O-N 3.07Å; Y504-R507 PolarHBondContact O-N 3.02Å; Y504-R507 VanDerWaalsContact O-N 3.17Å |
| 508 | A | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -58.7 | 133.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y504 F510 Q515 G516 P544 | Y504-A508 HydrophobicContact CD1-CB 4.16Å; Y504-A508 HydrophobicContact CD2-CB 4.32Å; Y504-A508 HydrophobicContact CE1-CB 3.83Å; Y504-A508 HydrophobicContact CE2-CB 3.99Å; Y504-A508 HydrophobicContact CG-CB 4.4Å; Y504-A508 VanDerWaalsContact O-CB 3.29Å; Y504-A508 WeakPolarHBondContact O-CB 3.48Å; Y504-A508 PolarHBondContact O-N 3.34Å; A508-F510 HydrophobicContact CB-CE2 3.92Å; A508-F510 WeakPolarHBondContact O-CD2 3.5Å; A508-F510 WeakPolarHBondContact O-CE2 3.34Å; A508-Q515 CarbonylContact O-C 3.54Å; A508-Q515 WeakPolarHBondContact O-CA 3.34Å; A508-G516 PolarHBondContact O-N 3.19Å; A508-P544 HydrophobicContact CB-CB 4.28Å; A508-P544 HydrophobicContact CB-CG 4.16Å |
| 509 | P | 95.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 23% | 0.234 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.9 | -179.7 | 29.8 | -34.3 | 0 | 0 | 0 | 110.4 | L470 P544 P547 | L470-P509 HydrophobicContact CD2-CG 4.47Å; P509-P544 VanDerWaalsContact O-CA 3.27Å; P509-P544 WeakPolarHBondContact O-CA 3.39Å; P509-P547 HydrophobicContact CB-CB 4.13Å; P509-P547 HydrophobicContact CB-CG 4Å; P509-P547 HydrophobicContact CG-CB 4.45Å; P509-P547 HydrophobicContact CG-CG 3.99Å; P509-P547 WeakPolarHBondContact O-CB 3.45Å |
| 510 | F | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 4.2 | 177.3 | -73.9 | -99.3 | 0 | 0 | 0 | 113.2 | A508 L514 I517 A520 Y524 L540 L543 P544 | A508-F510 HydrophobicContact CB-CE2 3.92Å; A508-F510 WeakPolarHBondContact O-CD2 3.5Å; A508-F510 WeakPolarHBondContact O-CE2 3.34Å; F510-L514 HydrophobicContact CB-CB 4.38Å; F510-L514 PolarHBondContact N-O 2.92Å; F510-I517 HydrophobicContact CE1-CD1 3.73Å; F510-I517 HydrophobicContact CE2-CB 4.39Å; F510-I517 HydrophobicContact CZ-CB 3.99Å; F510-I517 HydrophobicContact CZ-CD1 3.75Å; F510-I517 HydrophobicContact CZ-CG1 4.48Å; F510-A520 HydrophobicContact CB-CB 3.57Å; F510-A520 HydrophobicContact CD1-CB 3.49Å; F510-A520 VanDerWaalsContact CD1-CB 3.49Å; F510-A520 HydrophobicContact CD2-CB 3.85Å; F510-A520 HydrophobicContact CE1-CB 4.06Å; F510-A520 HydrophobicContact CE2-CB 4.42Å; F510-A520 HydrophobicContact CG-CB 3.36Å; F510-Y524 HydrophobicContact CB-CE2 4.22Å; F510-Y524 WeakPolarHBondContact O-CE2 3.31Å; F510-Y524 PolarHBondContact O-OH 3.45Å; F510-L540 HydrophobicContact CD1-CD2 4.26Å; F510-L540 HydrophobicContact CE1-CB 4.19Å; F510-L540 HydrophobicContact CE1-CD2 4.4Å; F510-L540 WeakPolarHBondContact CE1-O 3.39Å; F510-L543 HydrophobicContact CD1-CB 4.01Å; F510-L543 HydrophobicContact CD1-CD1 4.26Å; F510-P544 HydrophobicContact CD1-CG 4.33Å; F510-P544 HydrophobicContact CE1-CG 4Å; F510-P544 HydrophobicContact CE2-CG 4.29Å; F510-P544 HydrophobicContact CZ-CG 3.96Å |
| 511 | G | 90.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.8 | 139.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T513 L514 P547 R594 | G511-T513 PolarHBondContact O-N 2.98Å; G511-L514 PolarHBondContact O-N 2.86Å; G511-P547 WeakPolarHBondContact CA-O 3.44Å; G511-R594 VanDerWaalsContact C-NH2 3.3Å; G511-R594 PolarHBondContact O-NH1 2.92Å; G511-R594 PolarHBondContact O-NH2 2.97Å |
| 512 | G | 87.1 | Confident | 93.4 | Very high | 55 Ų | 55 | 20.7 Ų | 20.7 | 57% | 0.567 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | -131.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L514 | G512-L514 VanDerWaalsContact C-N 3.34Š|
| 513 | T | 90.2 | Very high | 93 | Very high | 64 Ų | 64 | 19 Ų | 19 | 39% | 0.393 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 10.2 | -179.8 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | G405 W407 G511 | G405-T513 WeakPolarHBondContact O-CB 3.44Å; G405-T513 WeakPolarHBondContact O-CG2 3.4Å; W407-T513 PolarHBondContact N-O 3.47Å; W407-T513 PolarHBondContact NE1-OG1 3.27Å; G511-T513 PolarHBondContact O-N 2.98Å |
| 514 | L | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.7 | -177.4 | -64 | 173.8 | 0 | 0 | 0 | 111.5 | W407 F510 G511 G512 A519 A523 Y524 M596 | W407-L514 HydrophobicContact CB-CD2 4.23Å; F510-L514 HydrophobicContact CB-CB 4.38Å; F510-L514 PolarHBondContact N-O 2.92Å; G511-L514 PolarHBondContact O-N 2.86Å; G512-L514 VanDerWaalsContact C-N 3.34Å; L514-A519 HydrophobicContact CD2-CB 4.15Å; L514-A523 HydrophobicContact CD1-CB 3.7Å; L514-A523 HydrophobicContact CD2-CB 3.82Å; L514-A523 HydrophobicContact CG-CB 4.42Å; L514-Y524 HydrophobicContact CD1-CD2 4.36Å; L514-Y524 HydrophobicContact CD1-CE1 4.4Å; L514-Y524 HydrophobicContact CD1-CE2 3.87Å; L514-M596 HydrophobicContact CD2-CE 3.87Å |
| 515 | Q | 94.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 19 Ų | 19 | 21% | 0.21 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.4 | 168.9 | -71.6 | -174.8 | 6.9 | 0 | 0 | 110.6 | I406 W407 R408 A508 | I406-Q515 HydrophobicContact CG2-CB 3.83Å; I406-Q515 HydrophobicContact CG2-CG 3.64Å; W407-Q515 PolarHBondContact O-N 3.18Å; W407-Q515 VanDerWaalsContact O-O 3.08Å; R408-Q515 HydrophobicContact CG-CB 3.93Å; R408-Q515 VanDerWaalsContact CZ-OE1 3.27Å; A508-Q515 CarbonylContact O-C 3.54Å; A508-Q515 WeakPolarHBondContact O-CA 3.34Å |
| 516 | G | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 89 | 150.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L505 A508 G518 A519 A520 | L505-G516 CarbonylContact O-C 3.59Å; L505-G516 WeakPolarHBondContact O-CA 3.47Å; A508-G516 PolarHBondContact O-N 3.19Å; G516-G518 VanDerWaalsContact C-N 3.3Å; G516-G518 PolarHBondContact O-N 3.41Å; G516-A519 PolarHBondContact O-N 2.99Å; G516-A520 WeakPolarHBondContact O-CB 3.44Å; G516-A520 PolarHBondContact O-N 3.37Å |
| 517 | I | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -33.1 | -176 | -171 | 60.1 | 0 | 0 | 0 | 112 | V411 V416 Y420 L505 F510 A520 S521 P529 L540 | V411-I517 HydrophobicContact CG2-CG2 3.78Å; V416-I517 HydrophobicContact CG1-CG2 4.47Å; V416-I517 HydrophobicContact CG2-CG2 3.79Å; Y420-I517 HydrophobicContact CD1-CG1 4.28Å; Y420-I517 HydrophobicContact CD2-CD1 3.86Å; Y420-I517 HydrophobicContact CD2-CG1 4.31Å; Y420-I517 HydrophobicContact CE1-CB 4.35Å; Y420-I517 HydrophobicContact CE1-CD1 4.25Å; Y420-I517 HydrophobicContact CE1-CG1 3.97Å; Y420-I517 HydrophobicContact CE2-CD1 3.38Å; Y420-I517 HydrophobicContact CE2-CG1 4Å; Y420-I517 HydrophobicContact CG-CD1 4.46Å; Y420-I517 HydrophobicContact CG-CG1 4.43Å; L505-I517 HydrophobicContact CB-CG2 4.13Å; L505-I517 HydrophobicContact CD2-CG2 4.14Å; L505-I517 PolarHBondContact O-N 2.85Å; F510-I517 HydrophobicContact CE1-CD1 3.73Å; F510-I517 HydrophobicContact CE2-CB 4.39Å; F510-I517 HydrophobicContact CZ-CB 3.99Å; F510-I517 HydrophobicContact CZ-CD1 3.75Å; F510-I517 HydrophobicContact CZ-CG1 4.48Å; I517-A520 PolarHBondContact O-N 2.95Å; I517-S521 VanDerWaalsContact O-CB 3.24Å; I517-S521 WeakPolarHBondContact O-CB 3.49Å; I517-S521 PolarHBondContact O-N 3.32Å; I517-P529 HydrophobicContact CG1-CB 4.22Å; I517-L540 HydrophobicContact CD1-CB 3.63Å; I517-L540 HydrophobicContact CD1-CD1 3.54Å; I517-L540 HydrophobicContact CD1-CG 4.08Å |
| 518 | G | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -52.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G516 A520 W522 | G516-G518 VanDerWaalsContact C-N 3.3Å; G516-G518 PolarHBondContact O-N 3.41Å; G518-A520 VanDerWaalsContact C-N 3.34Å; G518-A520 PolarHBondContact O-N 3.17Å; G518-W522 VanDerWaalsContact O-CD1 3.28Å; G518-W522 PolarHBondContact O-N 2.65Å |
| 519 | A | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y409 L514 G516 A523 | Y409-A519 HydrophobicContact CD1-CB 4.05Å; Y409-A519 HydrophobicContact CD2-CB 4.42Å; Y409-A519 HydrophobicContact CE1-CB 4.35Å; Y409-A519 HydrophobicContact CG-CB 4.03Å; L514-A519 HydrophobicContact CD2-CB 4.15Å; G516-A519 PolarHBondContact O-N 2.99Å; A519-A523 WeakPolarHBondContact O-CB 3.42Å; A519-A523 PolarHBondContact O-N 3.07Å |
| 520 | A | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.6 | -47.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F510 G516 I517 G518 A523 Y524 L540 | F510-A520 HydrophobicContact CB-CB 3.57Å; F510-A520 HydrophobicContact CD1-CB 3.49Å; F510-A520 VanDerWaalsContact CD1-CB 3.49Å; F510-A520 HydrophobicContact CD2-CB 3.85Å; F510-A520 HydrophobicContact CE1-CB 4.06Å; F510-A520 HydrophobicContact CE2-CB 4.42Å; F510-A520 HydrophobicContact CG-CB 3.36Å; G516-A520 WeakPolarHBondContact O-CB 3.44Å; G516-A520 PolarHBondContact O-N 3.37Å; I517-A520 PolarHBondContact O-N 2.95Å; G518-A520 VanDerWaalsContact C-N 3.34Å; G518-A520 PolarHBondContact O-N 3.17Å; A520-A523 PolarHBondContact O-N 3.4Å; A520-Y524 HydrophobicContact CB-CD2 4.14Å; A520-Y524 HydrophobicContact CB-CE2 4.38Å; A520-Y524 VanDerWaalsContact O-CB 3.26Å; A520-Y524 WeakPolarHBondContact O-CB 3.26Å; A520-Y524 VanDerWaalsContact O-CD2 3.28Å; A520-Y524 WeakPolarHBondContact O-CD2 3.39Å; A520-Y524 PolarHBondContact O-N 2.93Å; A520-L540 HydrophobicContact CB-CD2 4.29Å |
| 521 | S | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -49.1 | -180 | -172.9 | 0 | 0 | 0 | 0 | 111 | I517 L525 G526 K527 P529 | I517-S521 VanDerWaalsContact O-CB 3.24Å; I517-S521 WeakPolarHBondContact O-CB 3.49Å; I517-S521 PolarHBondContact O-N 3.32Å; S521-L525 CarbonylContact O-C 3.35Å; S521-L525 WeakPolarHBondContact O-CA 3.47Å; S521-L525 VanDerWaalsContact O-CB 3.24Å; S521-L525 WeakPolarHBondContact O-CB 3.44Å; S521-L525 PolarHBondContact O-N 2.94Å; S521-G526 PolarHBondContact O-N 3.15Å; S521-K527 CarbonylContact C-O 3.58Å; S521-K527 WeakPolarHBondContact CB-O 3.44Å; S521-K527 PolarHBondContact OG-O 3.49Å; S521-P529 WeakPolarHBondContact OG-CA 3.26Å |
| 522 | W | 87.8 | Confident | 90.5 | Very high | 30 Ų | 30 | 26 Ų | 26 | 11% | 0.114 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 178.4 | -78 | 107.7 | 0 | 0 | 0 | 113.1 | T395 P396 Y409 G518 G526 | T395-W522 HydrophobicContact CG2-CH2 4.06Å; T395-W522 HydrophobicContact CG2-CZ3 4.11Å; T395-W522 VanDerWaalsContact OG1-CH2 3.32Å; T395-W522 WeakPolarHBondContact OG1-CH2 3.5Å; P396-W522 VanDerWaalsContact CD-CD2 3.45Å; P396-W522 VanDerWaalsContact CD-CZ2 3.41Å; P396-W522 HydrophobicContact CG-CD2 3.81Å; P396-W522 HydrophobicContact CG-CG 3.8Å; P396-W522 HydrophobicContact CG-CZ2 4.43Å; Y409-W522 HydrophobicContact CD2-CB 4.21Å; Y409-W522 AromaticContact CD2-CD1 3.76Å; Y409-W522 HydrophobicContact CD2-CG 4.23Å; Y409-W522 HydrophobicContact CE2-CB 3.74Å; Y409-W522 HydrophobicContact CE2-CG 4.08Å; G518-W522 VanDerWaalsContact O-CD1 3.28Å; G518-W522 PolarHBondContact O-N 2.65Å; W522-G526 WeakPolarHBondContact CZ3-O 3.44Å; W522-G526 VanDerWaalsContact O-CA 3.29Å; W522-G526 WeakPolarHBondContact O-CA 3.43Å; W522-G526 PolarHBondContact O-N 3.34Å; W522-G526 VanDerWaalsContact O-N 3.08Å |
| 523 | A | 87.9 | Confident | 90.8 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.4 | -30.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L514 A519 A520 R594 M596 | L514-A523 HydrophobicContact CD1-CB 3.7Å; L514-A523 HydrophobicContact CD2-CB 3.82Å; L514-A523 HydrophobicContact CG-CB 4.42Å; A519-A523 WeakPolarHBondContact O-CB 3.42Å; A519-A523 PolarHBondContact O-N 3.07Å; A520-A523 PolarHBondContact O-N 3.4Å; A523-R594 WeakPolarHBondContact O-CA 3.42Å; A523-M596 HydrophobicContact CB-CE 4.05Å; A523-M596 HydrophobicContact CB-SD 3.82Å |
| 524 | Y | 89.6 | Confident | 91 | Very high | 11 Ų | 11 | 23.5 Ų | 23.5 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -96.8 | -38.3 | -179.4 | -71 | -52.1 | 0 | 0 | 0 | 113.1 | F510 L514 A520 L540 L543 P552 D553 R594 | F510-Y524 HydrophobicContact CB-CE2 4.22Å; F510-Y524 WeakPolarHBondContact O-CE2 3.31Å; F510-Y524 PolarHBondContact O-OH 3.45Å; L514-Y524 HydrophobicContact CD1-CD2 4.36Å; L514-Y524 HydrophobicContact CD1-CE1 4.4Å; L514-Y524 HydrophobicContact CD1-CE2 3.87Å; A520-Y524 HydrophobicContact CB-CD2 4.14Å; A520-Y524 HydrophobicContact CB-CE2 4.38Å; A520-Y524 VanDerWaalsContact O-CB 3.26Å; A520-Y524 WeakPolarHBondContact O-CB 3.26Å; A520-Y524 VanDerWaalsContact O-CD2 3.28Å; A520-Y524 WeakPolarHBondContact O-CD2 3.39Å; A520-Y524 PolarHBondContact O-N 2.93Å; Y524-L540 HydrophobicContact CD2-CD2 4.27Å; Y524-L543 HydrophobicContact CD2-CD1 4.3Å; Y524-L543 HydrophobicContact CE2-CD1 3.93Å; Y524-P552 HydrophobicContact CD1-CG 3.87Å; Y524-P552 HydrophobicContact CD2-CG 4.47Å; Y524-P552 HydrophobicContact CE1-CG 3.94Å; Y524-P552 HydrophobicContact CG-CG 4.14Å; Y524-D553 HydrophobicContact CD1-CB 4.41Å; Y524-D553 HydrophobicContact CE1-CB 4.19Å; Y524-D553 WeakPolarHBondContact CE1-OD1 3.03Å; Y524-R594 HydrophobicContact CD1-CG 4.19Å; Y524-R594 HydrophobicContact CE1-CG 4.1Å; Y524-R594 PolarHBondContact OH-NH2 2.88Å |
| 525 | L | 88 | Confident | 91.1 | Very high | 29 Ų | 29 | 23.6 Ų | 23.6 | 15% | 0.152 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -113.5 | -8.6 | -171.1 | -52.9 | 175.8 | 0 | 0 | 0 | 113.4 | S521 K527 L532 E536 M539 L540 L591 | S521-L525 CarbonylContact O-C 3.35Å; S521-L525 WeakPolarHBondContact O-CA 3.47Å; S521-L525 VanDerWaalsContact O-CB 3.24Å; S521-L525 WeakPolarHBondContact O-CB 3.44Å; S521-L525 PolarHBondContact O-N 2.94Å; L525-K527 HydrophobicContact CB-CG 3.98Å; L525-K527 PolarHBondContact O-N 3.47Å; L525-L532 HydrophobicContact CD1-CD2 3.36Å; L525-E536 HydrophobicContact CD1-CB 3.8Å; L525-E536 HydrophobicContact CD1-CG 3.9Å; L525-E536 HydrophobicContact CD2-CG 4.13Å; L525-M539 HydrophobicContact CD2-CE 3.78Å; L525-M539 HydrophobicContact CG-CE 4.5Å; L525-L540 HydrophobicContact CD1-CD1 3.75Å; L525-L540 HydrophobicContact CD1-CG 4.44Å; L525-L591 HydrophobicContact CD2-CD1 4.21Å; L525-L591 HydrophobicContact CD2-CD2 3.64Å |
| 526 | G | 84 | Confident | 91.1 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 56% | 0.557 | 14% | 0.135 | S | C | * | . | S | Bend | trans | 65.3 | 18.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S521 W522 | S521-G526 PolarHBondContact O-N 3.15Å; W522-G526 WeakPolarHBondContact CZ3-O 3.44Å; W522-G526 VanDerWaalsContact O-CA 3.29Å; W522-G526 WeakPolarHBondContact O-CA 3.43Å; W522-G526 PolarHBondContact O-N 3.34Å; W522-G526 VanDerWaalsContact O-N 3.08Å |
| 527 | K | 84.9 | Confident | 91.2 | Very high | 60 Ų | 60 | 22.5 Ų | 22.5 | 26% | 0.261 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -142.5 | 164.4 | -176.1 | 69.5 | -175.2 | -177.7 | -176.3 | 0 | 114.1 | S521 L525 N531 E536 | S521-K527 CarbonylContact C-O 3.58Å; S521-K527 WeakPolarHBondContact CB-O 3.44Å; S521-K527 PolarHBondContact OG-O 3.49Å; L525-K527 HydrophobicContact CB-CG 3.98Å; L525-K527 PolarHBondContact O-N 3.47Å; K527-N531 PolarHBondContact NZ-O 3.21Å; K527-E536 WeakPolarHBondContact CE-OE1 3.35Å; K527-E536 WeakPolarHBondContact CE-OE2 3.49Å; K527-E536 IonicContact NZ-OE1 2.76Å; K527-E536 PolarHBondContact NZ-OE1 2.73Å; K527-E536 IonicContact NZ-OE2 3.22Å; K527-E536 PolarHBondContact NZ-OE2 3.26Å |
| 528 | S | 87.9 | Confident | 91.2 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 25% | 0.245 | 14% | 0.135 | C | C | . | . | trans | -59.8 | 138.1 | 178.2 | 179 | 0 | 0 | 0 | 0 | 112.1 | A530 N531 | S528-A530 PolarHBondContact O-N 3.29Å; S528-A530 VanDerWaalsContact O-N 3.11Å; S528-A530 PolarHBondContact OG-N 2.94Å; S528-N531 PolarHBondContact O-N 3.5Å | ||
| 529 | P | 92.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -62.2 | -15 | 173.5 | 27 | -35.7 | 0 | 0 | 0 | 113.6 | V411 V416 S417 I517 S521 N531 L532 | V411-P529 HydrophobicContact CG1-CG 4.09Å; V416-P529 HydrophobicContact CG2-CB 4.35Å; S417-P529 WeakPolarHBondContact CB-O 3.34Å; S417-P529 PolarHBondContact N-O 3.12Å; I517-P529 HydrophobicContact CG1-CB 4.22Å; S521-P529 WeakPolarHBondContact OG-CA 3.26Å; P529-N531 VanDerWaalsContact C-N 3.3Å; P529-L532 HydrophobicContact CB-CD1 4.5Å; P529-L532 WeakPolarHBondContact O-CD1 3.22Å; P529-L532 WeakPolarHBondContact O-CG 3.28Å |
| 530 | A | 92.2 | Very high | 91.6 | Very high | 42 Ų | 42 | 22.7 Ų | 22.7 | 35% | 0.347 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -68.7 | -27.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | D415 S417 S528 | D415-A530 PolarHBondContact O-N 2.98Å; S417-A530 WeakPolarHBondContact CB-O 3.37Å; S528-A530 PolarHBondContact O-N 3.29Å; S528-A530 VanDerWaalsContact O-N 3.11Å; S528-A530 PolarHBondContact OG-N 2.94Å |
| 531 | N | 90.5 | Very high | 91.7 | Very high | 114 Ų | 114 | 22.7 Ų | 22.7 | 61% | 0.61 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | -104.6 | 25.5 | -169.8 | -65.2 | -15.3 | 0 | 0 | 0 | 113.4 | K527 S528 P529 | K527-N531 PolarHBondContact NZ-O 3.21Å; S528-N531 PolarHBondContact O-N 3.5Å; P529-N531 VanDerWaalsContact C-N 3.3Å |
| 532 | L | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -70.9 | 134.1 | -178.8 | -62.4 | 172.3 | 0 | 0 | 0 | 111.9 | R419 Y420 L525 P529 E536 A537 L540 | R419-L532 PolarHBondContact NH1-O 3.03Å; R419-L532 VanDerWaalsContact NH1-O 3.14Å; Y420-L532 HydrophobicContact CD2-CD1 4.25Å; Y420-L532 HydrophobicContact CG-CD1 4.24Å; L525-L532 HydrophobicContact CD1-CD2 3.36Å; P529-L532 HydrophobicContact CB-CD1 4.5Å; P529-L532 WeakPolarHBondContact O-CD1 3.22Å; P529-L532 WeakPolarHBondContact O-CG 3.28Å; L532-E536 HydrophobicContact CB-CB 4.47Å; L532-E536 HydrophobicContact CD2-CB 4.12Å; L532-A537 HydrophobicContact CB-CB 4.37Å; L532-L540 HydrophobicContact CD1-CD1 3.91Å; L532-L540 HydrophobicContact CD2-CD1 3.72Å | ||
| 533 | S | 92.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | trans | -68.1 | 167.9 | 166.5 | 87.6 | 0 | 0 | 0 | 0 | 110.3 | S535 E536 A537 E587 | S533-S535 VanDerWaalsContact C-N 3.29Å; S533-S535 PolarHBondContact O-N 3.46Å; S533-S535 PolarHBondContact OG-N 2.89Å; S533-E536 WeakPolarHBondContact CB-OE2 3.46Å; S533-E536 PolarHBondContact N-OE2 3.36Å; S533-E536 PolarHBondContact O-N 2.92Å; S533-E536 WeakPolarHBondContact OG-CG 3.48Å; S533-E536 PolarHBondContact OG-N 2.8Å; S533-E536 VanDerWaalsContact OG-N 3.11Å; S533-E536 PolarHBondContact OG-OE2 2.79Å; S533-A537 WeakPolarHBondContact O-CB 3.43Å; S533-A537 PolarHBondContact O-N 3.14Å; S533-E587 PolarHBondContact OG-OE1 2.99Å; S533-E587 PolarHBondContact OG-OE2 2.95Å | ||
| 534 | Y | 95 | Very high | 92.5 | Very high | 46 Ų | 46 | 21.6 Ų | 21.6 | 18% | 0.18 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 173.5 | -73 | -87.4 | 0 | 0 | 0 | 111.9 | R419 A538 W576 Q580 S584 | R419-Y534 HydrophobicContact CB-CD1 4.44Å; R419-Y534 HydrophobicContact CB-CE1 4.5Å; R419-Y534 HydrophobicContact CG-CD1 4.14Å; R419-Y534 HydrophobicContact CG-CE1 3.82Å; R419-Y534 HydrophobicContact CG-CE2 4.41Å; R419-Y534 VanDerWaalsContact CZ-CE2 3.4Å; R419-Y534 VanDerWaalsContact NE-CZ 3.34Å; Y534-A538 VanDerWaalsContact O-CB 3.3Å; Y534-A538 WeakPolarHBondContact O-CB 3.4Å; Y534-A538 PolarHBondContact O-N 2.87Å; Y534-W576 AromaticContact CD1-CD2 3.57Å; Y534-W576 HydrophobicContact CD1-CD2 3.57Å; Y534-W576 AromaticContact CD1-CE2 3.49Å; Y534-W576 VanDerWaalsContact CD1-CE2 3.49Å; Y534-W576 AromaticContact CD1-CE3 3.88Å; Y534-W576 HydrophobicContact CD1-CE3 3.88Å; Y534-W576 HydrophobicContact CD1-CG 4.02Å; Y534-W576 HydrophobicContact CD1-CH2 4.03Å; Y534-W576 AromaticContact CD1-CZ2 3.75Å; Y534-W576 HydrophobicContact CD1-CZ2 3.75Å; Y534-W576 HydrophobicContact CD1-CZ3 4.09Å; Y534-W576 AromaticContact CD1-NE1 3.84Å; Y534-W576 AromaticContact CE1-CD1 3.74Å; Y534-W576 HydrophobicContact CE1-CD2 4.04Å; Y534-W576 AromaticContact CE1-CE2 3.8Å; Y534-W576 HydrophobicContact CE1-CG 4.06Å; Y534-W576 HydrophobicContact CE1-CZ2 4.34Å; Y534-W576 AromaticContact CE1-NE1 3.63Å; Y534-Q580 HydrophobicContact CD1-CG 4.3Å; Y534-Q580 HydrophobicContact CD2-CG 3.95Å; Y534-Q580 HydrophobicContact CE1-CG 4.39Å; Y534-Q580 HydrophobicContact CE2-CG 4.07Å; Y534-Q580 HydrophobicContact CG-CG 4.08Å; Y534-Q580 VanDerWaalsContact CZ-NE2 3.34Å; Y534-Q580 VanDerWaalsContact CZ-OE1 3.31Å; Y534-Q580 PolarHBondContact OH-OE1 2.52Å; Y534-S584 VanDerWaalsContact CB-OG 3.23Å; Y534-S584 WeakPolarHBondContact CB-OG 3.34Å |
| 535 | S | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 177.7 | -159.7 | 0 | 0 | 0 | 0 | 111.3 | S533 A538 M539 R563 S584 E587 | S533-S535 VanDerWaalsContact C-N 3.29Å; S533-S535 PolarHBondContact O-N 3.46Å; S533-S535 PolarHBondContact OG-N 2.89Å; S535-A538 PolarHBondContact O-N 3.5Å; S535-M539 WeakPolarHBondContact O-CB 3.49Å; S535-M539 PolarHBondContact O-N 3.18Å; S535-R563 WeakPolarHBondContact O-CD 3.42Å; S535-R563 WeakPolarHBondContact O-CG 3.5Å; S535-R563 WeakPolarHBondContact OG-CD 3.03Å; S535-R563 PolarHBondContact OG-NH1 2.83Å; S535-S584 VanDerWaalsContact CB-O 3.29Å; S535-S584 WeakPolarHBondContact CB-O 3.47Å; S535-S584 PolarHBondContact OG-O 2.71Å; S535-E587 WeakPolarHBondContact CB-OE2 3.38Å |
| 536 | E | 94.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.7 | -40.1 | -179.1 | -66.2 | 166.8 | 144.4 | 0 | 0 | 112.6 | L525 K527 L532 S533 A538 M539 L540 | L525-E536 HydrophobicContact CD1-CB 3.8Å; L525-E536 HydrophobicContact CD1-CG 3.9Å; L525-E536 HydrophobicContact CD2-CG 4.13Å; K527-E536 WeakPolarHBondContact CE-OE1 3.35Å; K527-E536 WeakPolarHBondContact CE-OE2 3.49Å; K527-E536 IonicContact NZ-OE1 2.76Å; K527-E536 PolarHBondContact NZ-OE1 2.73Å; K527-E536 IonicContact NZ-OE2 3.22Å; K527-E536 PolarHBondContact NZ-OE2 3.26Å; L532-E536 HydrophobicContact CB-CB 4.47Å; L532-E536 HydrophobicContact CD2-CB 4.12Å; S533-E536 WeakPolarHBondContact CB-OE2 3.46Å; S533-E536 PolarHBondContact N-OE2 3.36Å; S533-E536 PolarHBondContact O-N 2.92Å; S533-E536 WeakPolarHBondContact OG-CG 3.48Å; S533-E536 PolarHBondContact OG-N 2.8Å; S533-E536 VanDerWaalsContact OG-N 3.11Å; S533-E536 PolarHBondContact OG-OE2 2.79Å; E536-A538 VanDerWaalsContact C-N 3.33Å; E536-A538 PolarHBondContact O-N 2.92Å; E536-M539 PolarHBondContact O-N 2.78Å; E536-L540 WeakPolarHBondContact O-CB 3.48Å; E536-L540 WeakPolarHBondContact O-CG 3.33Å; E536-L540 PolarHBondContact O-N 2.84Å |
| 537 | A | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R419 L532 S533 A541 W576 | R419-A537 HydrophobicContact CB-CB 3.96Å; L532-A537 HydrophobicContact CB-CB 4.37Å; S533-A537 WeakPolarHBondContact O-CB 3.43Å; S533-A537 PolarHBondContact O-N 3.14Å; A537-A541 VanDerWaalsContact O-CB 3.26Å; A537-A541 WeakPolarHBondContact O-CB 3.49Å; A537-A541 PolarHBondContact O-N 2.81Å; A537-W576 HydrophobicContact CB-CH2 4.43Å |
| 538 | A | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y534 S535 E536 R563 V566 L567 W576 | Y534-A538 VanDerWaalsContact O-CB 3.3Å; Y534-A538 WeakPolarHBondContact O-CB 3.4Å; Y534-A538 PolarHBondContact O-N 2.87Å; S535-A538 PolarHBondContact O-N 3.5Å; E536-A538 VanDerWaalsContact C-N 3.33Å; E536-A538 PolarHBondContact O-N 2.92Å; A538-R563 HydrophobicContact CB-CG 4.02Å; A538-V566 HydrophobicContact CB-CB 3.98Å; A538-V566 HydrophobicContact CB-CG1 3.76Å; A538-L567 HydrophobicContact CB-CD2 3.96Å; A538-L567 HydrophobicContact CB-CG 3.85Å; A538-W576 HydrophobicContact CB-CH2 4.24Å; A538-W576 HydrophobicContact CB-CZ3 4.06Å |
| 539 | M | 95 | Very high | 93.8 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -54.2 | 176.8 | -179.2 | -171.4 | 62 | 0 | 0 | 110.7 | L525 S535 E536 A541 V542 L543 P552 R563 I589 L591 | L525-M539 HydrophobicContact CD2-CE 3.78Å; L525-M539 HydrophobicContact CG-CE 4.5Å; S535-M539 WeakPolarHBondContact O-CB 3.49Å; S535-M539 PolarHBondContact O-N 3.18Å; E536-M539 PolarHBondContact O-N 2.78Å; M539-A541 VanDerWaalsContact C-N 3.28Å; M539-A541 PolarHBondContact O-N 3Å; M539-V542 WeakPolarHBondContact O-CG1 3.43Å; M539-V542 PolarHBondContact O-N 3.22Å; M539-L543 HydrophobicContact CG-CD2 4.4Å; M539-L543 WeakPolarHBondContact O-CG 3.41Å; M539-L543 PolarHBondContact O-N 2.9Å; M539-P552 HydrophobicContact SD-CB 3.86Å; M539-P552 HydrophobicContact SD-CG 4.16Å; M539-R563 HydrophobicContact CB-CB 4.06Å; M539-R563 HydrophobicContact CB-CG 4.04Å; M539-I589 HydrophobicContact CG-CD1 4.1Å; M539-I589 HydrophobicContact SD-CD1 3.74Å; M539-I589 HydrophobicContact SD-CG1 4.35Å; M539-I589 HydrophobicContact SD-CG2 3.81Å; M539-L591 HydrophobicContact CE-CD1 4.15Å; M539-L591 HydrophobicContact SD-CD1 4.4Å |
| 540 | L | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | -177.7 | -68.8 | 177.9 | 0 | 0 | 0 | 111.8 | Y420 F510 I517 A520 Y524 L525 L532 E536 V542 L543 P544 | Y420-L540 HydrophobicContact CD2-CB 4.08Å; Y420-L540 HydrophobicContact CE2-CB 3.81Å; F510-L540 HydrophobicContact CD1-CD2 4.26Å; F510-L540 HydrophobicContact CE1-CB 4.19Å; F510-L540 HydrophobicContact CE1-CD2 4.4Å; F510-L540 WeakPolarHBondContact CE1-O 3.39Å; I517-L540 HydrophobicContact CD1-CB 3.63Å; I517-L540 HydrophobicContact CD1-CD1 3.54Å; I517-L540 HydrophobicContact CD1-CG 4.08Å; A520-L540 HydrophobicContact CB-CD2 4.29Å; Y524-L540 HydrophobicContact CD2-CD2 4.27Å; L525-L540 HydrophobicContact CD1-CD1 3.75Å; L525-L540 HydrophobicContact CD1-CG 4.44Å; L532-L540 HydrophobicContact CD1-CD1 3.91Å; L532-L540 HydrophobicContact CD2-CD1 3.72Å; E536-L540 WeakPolarHBondContact O-CB 3.48Å; E536-L540 WeakPolarHBondContact O-CG 3.33Å; E536-L540 PolarHBondContact O-N 2.84Å; L540-V542 VanDerWaalsContact C-N 3.29Å; L540-V542 PolarHBondContact O-N 2.79Å; L540-L543 HydrophobicContact CD2-CD1 3.86Å; L540-P544 WeakPolarHBondContact O-CD 3.35Å |
| 541 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -32.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y420 A423 L424 A537 M539 | Y420-A541 HydrophobicContact CE2-CB 4.2Å; A423-A541 HydrophobicContact CB-CB 3.95Å; L424-A541 HydrophobicContact CB-CB 4.39Å; A537-A541 VanDerWaalsContact O-CB 3.26Å; A537-A541 WeakPolarHBondContact O-CB 3.49Å; A537-A541 PolarHBondContact O-N 2.81Å; M539-A541 VanDerWaalsContact C-N 3.28Å; M539-A541 PolarHBondContact O-N 3Å |
| 542 | V | 95 | Very high | 93.7 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -92.3 | -21 | -177.1 | 66 | 0 | 0 | 0 | 0 | 114.4 | Y427 M539 L540 P544 Q545 L550 A562 V566 | Y427-V542 HydrophobicContact CE1-CB 4.41Å; Y427-V542 HydrophobicContact CE1-CG2 3.99Å; M539-V542 WeakPolarHBondContact O-CG1 3.43Å; M539-V542 PolarHBondContact O-N 3.22Å; L540-V542 VanDerWaalsContact C-N 3.29Å; L540-V542 PolarHBondContact O-N 2.79Å; V542-P544 VanDerWaalsContact C-CD 3.42Å; V542-P544 VanDerWaalsContact C-N 3.32Å; V542-Q545 WeakPolarHBondContact O-CB 3.32Å; V542-Q545 PolarHBondContact O-N 2.91Å; V542-Q545 VanDerWaalsContact O-N 3.14Å; V542-L550 HydrophobicContact CG2-CD1 4.26Å; V542-A562 HydrophobicContact CG1-CB 3.75Å; V542-A562 HydrophobicContact CG2-CB 4.03Å; V542-V566 HydrophobicContact CB-CG2 3.62Å; V542-V566 HydrophobicContact CG1-CG2 4.03Å; V542-V566 HydrophobicContact CG2-CG2 4.2Å |
| 543 | L | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -52.5 | -41.5 | -178.4 | -61.4 | -167.6 | 0 | 0 | 0 | 113.9 | F510 Y524 M539 L540 Q545 A546 P547 L550 P552 | F510-L543 HydrophobicContact CD1-CB 4.01Å; F510-L543 HydrophobicContact CD1-CD1 4.26Å; Y524-L543 HydrophobicContact CD2-CD1 4.3Å; Y524-L543 HydrophobicContact CE2-CD1 3.93Å; M539-L543 HydrophobicContact CG-CD2 4.4Å; M539-L543 WeakPolarHBondContact O-CG 3.41Å; M539-L543 PolarHBondContact O-N 2.9Å; L540-L543 HydrophobicContact CD2-CD1 3.86Å; L543-Q545 PolarHBondContact O-N 2.83Å; L543-Q545 VanDerWaalsContact O-N 3.1Å; L543-A546 CarbonylContact O-C 2.82Å; L543-A546 PolarHBondContact O-N 3.26Å; L543-P547 VanDerWaalsContact O-CA 3.29Å; L543-P547 WeakPolarHBondContact O-CA 3.47Å; L543-L550 HydrophobicContact CD2-CB 3.86Å; L543-L550 WeakPolarHBondContact CD2-O 3.33Å; L543-P552 HydrophobicContact CD1-CG 4.22Å |
| 544 | P | 94.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -61 | -19.4 | -178.9 | -26.1 | 36.6 | 0 | 0 | 0 | 116 | A508 P509 F510 L540 V542 A546 P547 | A508-P544 HydrophobicContact CB-CB 4.28Å; A508-P544 HydrophobicContact CB-CG 4.16Å; P509-P544 VanDerWaalsContact O-CA 3.27Å; P509-P544 WeakPolarHBondContact O-CA 3.39Å; F510-P544 HydrophobicContact CD1-CG 4.33Å; F510-P544 HydrophobicContact CE1-CG 4Å; F510-P544 HydrophobicContact CE2-CG 4.29Å; F510-P544 HydrophobicContact CZ-CG 3.96Å; L540-P544 WeakPolarHBondContact O-CD 3.35Å; V542-P544 VanDerWaalsContact C-CD 3.42Å; V542-P544 VanDerWaalsContact C-N 3.32Å; P544-A546 VanDerWaalsContact C-N 3.32Å; P544-A546 PolarHBondContact O-N 2.83Å; P544-P547 WeakPolarHBondContact O-CD 3.49Å |
| 545 | Q | 91.3 | Very high | 93.1 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -65.6 | -35.8 | 176.8 | -66.6 | -164.7 | -13.7 | 0 | 0 | 112.6 | Y427 E428 V542 L543 | Y427-Q545 VanDerWaalsContact CE1-NE2 3.35Å; E428-Q545 VanDerWaalsContact OE1-CG 3.24Å; E428-Q545 WeakPolarHBondContact OE1-CG 3.41Å; E428-Q545 PolarHBondContact OE1-NE2 3.27Å; V542-Q545 WeakPolarHBondContact O-CB 3.32Å; V542-Q545 PolarHBondContact O-N 2.91Å; V542-Q545 VanDerWaalsContact O-N 3.14Å; L543-Q545 PolarHBondContact O-N 2.83Å; L543-Q545 VanDerWaalsContact O-N 3.1Å |
| 546 | A | 92.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -149.3 | 66.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L543 P544 S548 R549 L550 | L543-A546 CarbonylContact O-C 2.82Å; L543-A546 PolarHBondContact O-N 3.26Å; P544-A546 VanDerWaalsContact C-N 3.32Å; P544-A546 PolarHBondContact O-N 2.83Å; A546-S548 PolarHBondContact O-N 2.97Å; A546-R549 HydrophobicContact CB-CB 4.24Å; A546-R549 PolarHBondContact O-N 3.29Å; A546-L550 HydrophobicContact CB-CD1 4.03Å; A546-L550 HydrophobicContact CB-CG 3.99Å; A546-L550 PolarHBondContact O-N 3.39Å |
| 547 | P | 92.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26.3 | -163.4 | 23.6 | -35.9 | 0 | 0 | 0 | 114.2 | P509 G511 L543 P544 R551 | P509-P547 HydrophobicContact CB-CB 4.13Å; P509-P547 HydrophobicContact CB-CG 4Å; P509-P547 HydrophobicContact CG-CB 4.45Å; P509-P547 HydrophobicContact CG-CG 3.99Å; P509-P547 WeakPolarHBondContact O-CB 3.45Å; G511-P547 WeakPolarHBondContact CA-O 3.44Å; L543-P547 VanDerWaalsContact O-CA 3.29Å; L543-P547 WeakPolarHBondContact O-CA 3.47Å; P544-P547 WeakPolarHBondContact O-CD 3.49Å; P547-R551 WeakPolarHBondContact O-CG 3.35Å |
| 548 | S | 91.9 | Very high | 92.6 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 62% | 0.622 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -30.7 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | A546 | A546-S548 PolarHBondContact O-N 2.97Š|
| 549 | R | 93.6 | Very high | 92.4 | Very high | 162 Ų | 162 | 51.9 Ų | 51.9 | 61% | 0.611 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -28.4 | -172.9 | -169.2 | 176.9 | 66.9 | 174.9 | 0.2 | 112.8 | A546 | A546-R549 HydrophobicContact CB-CB 4.24Å; A546-R549 PolarHBondContact O-N 3.29Å |
| 550 | L | 93.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -98 | 12.5 | -179.2 | -61.1 | 179.9 | 0 | 0 | 0 | 113.1 | V542 L543 A546 P552 R558 A559 A562 | V542-L550 HydrophobicContact CG2-CD1 4.26Å; L543-L550 HydrophobicContact CD2-CB 3.86Å; L543-L550 WeakPolarHBondContact CD2-O 3.33Å; A546-L550 HydrophobicContact CB-CD1 4.03Å; A546-L550 HydrophobicContact CB-CG 3.99Å; A546-L550 PolarHBondContact O-N 3.39Å; L550-P552 VanDerWaalsContact O-CD 3.24Å; L550-P552 WeakPolarHBondContact O-CD 3.08Å; L550-R558 HydrophobicContact CD2-CB 4.31Å; L550-A559 WeakPolarHBondContact O-CB 3.29Å; L550-A562 HydrophobicContact CD1-CB 4.01Å; L550-A562 HydrophobicContact CD2-CB 3.86Å |
| 551 | R | 90.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | trans | -54 | 112 | 178.4 | -81 | -173.2 | 61.8 | 163.8 | 1.1 | 111 | P547 D553 R554 W555 R594 | P547-R551 WeakPolarHBondContact O-CG 3.35Å; R551-D553 WeakPolarHBondContact CB-OD1 3.11Å; R551-D553 IonicContact CZ-OD1 3.47Å; R551-D553 IonicContact CZ-OD2 2.67Å; R551-D553 IonicContact NE-OD1 3.4Å; R551-D553 PolarHBondContact NE-OD1 3.23Å; R551-D553 IonicContact NE-OD2 3.44Å; R551-D553 IonicContact NH2-OD1 3.22Å; R551-D553 IonicContact NH2-OD2 3.2Å; R551-D553 PolarHBondContact NH2-OD2 3.4Å; R551-D553 PolarHBondContact O-N 3.32Å; R551-R554 HydrophobicContact CB-CB 4.19Å; R551-R554 VanDerWaalsContact CZ-NE 3.3Å; R551-R554 VanDerWaalsContact NH1-CZ 3.31Å; R551-R554 PolarHBondContact O-N 2.98Å; R551-R554 VanDerWaalsContact O-N 3.15Å; R551-W555 PolarHBondContact O-N 3.36Å; R551-R594 VanDerWaalsContact NH2-CZ 3.29Å; R551-R594 VanDerWaalsContact NH2-NE 3.18Å | ||
| 552 | P | 90 | Very high | 92.2 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.5 | -176.6 | 28.4 | -35.7 | 0 | 0 | 0 | 112.2 | Y524 M539 L543 L550 R554 A559 I589 L591 | Y524-P552 HydrophobicContact CD1-CG 3.87Å; Y524-P552 HydrophobicContact CD2-CG 4.47Å; Y524-P552 HydrophobicContact CE1-CG 3.94Å; Y524-P552 HydrophobicContact CG-CG 4.14Å; M539-P552 HydrophobicContact SD-CB 3.86Å; M539-P552 HydrophobicContact SD-CG 4.16Å; L543-P552 HydrophobicContact CD1-CG 4.22Å; L550-P552 VanDerWaalsContact O-CD 3.24Å; L550-P552 WeakPolarHBondContact O-CD 3.08Å; P552-R554 VanDerWaalsContact C-N 3.27Å; P552-R554 PolarHBondContact O-N 2.74Å; P552-A559 HydrophobicContact CB-CB 3.77Å; P552-I589 HydrophobicContact CB-CG2 3.83Å; P552-L591 HydrophobicContact CB-CD1 3.55Å; P552-L591 HydrophobicContact CB-CG 4.43Å; P552-L591 HydrophobicContact CG-CD1 3.55Å |
| 553 | D | 87.4 | Confident | 92.2 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.5 | 176.7 | 70.8 | -54.3 | 0 | 0 | 0 | 114.6 | Y524 R551 R594 | Y524-D553 HydrophobicContact CD1-CB 4.41Å; Y524-D553 HydrophobicContact CE1-CB 4.19Å; Y524-D553 WeakPolarHBondContact CE1-OD1 3.03Å; R551-D553 WeakPolarHBondContact CB-OD1 3.11Å; R551-D553 IonicContact CZ-OD1 3.47Å; R551-D553 IonicContact CZ-OD2 2.67Å; R551-D553 IonicContact NE-OD1 3.4Å; R551-D553 PolarHBondContact NE-OD1 3.23Å; R551-D553 IonicContact NE-OD2 3.44Å; R551-D553 IonicContact NH2-OD1 3.22Å; R551-D553 IonicContact NH2-OD2 3.2Å; R551-D553 PolarHBondContact NH2-OD2 3.4Å; R551-D553 PolarHBondContact O-N 3.32Å; D553-R594 HydrophobicContact CB-CG 4.16Å; D553-R594 IonicContact OD1-NE 2.66Å; D553-R594 IonicContact OD1-NH2 2.63Å; D553-R594 WeakPolarHBondContact OD2-CG 3.42Å; D553-R594 IonicContact OD2-NE 3.39Å; D553-R594 PolarHBondContact OD2-NE 3.31Å |
| 554 | R | 87.8 | Confident | 92.3 | Very high | 157 Ų | 157 | 60.1 Ų | 60.1 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -32.4 | -180 | -69.7 | -170.4 | 175.3 | -175.4 | -2.5 | 113.4 | R551 P552 | R551-R554 HydrophobicContact CB-CB 4.19Å; R551-R554 VanDerWaalsContact CZ-NE 3.3Å; R551-R554 VanDerWaalsContact NH1-CZ 3.31Å; R551-R554 PolarHBondContact O-N 2.98Å; R551-R554 VanDerWaalsContact O-N 3.15Å; P552-R554 VanDerWaalsContact C-N 3.27Å; P552-R554 PolarHBondContact O-N 2.74Å |
| 555 | W | 91 | Very high | 92.3 | Very high | 115 Ų | 115 | 65.4 Ų | 65.4 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | trans | -134.6 | 60.9 | -173.4 | -50.7 | 113.1 | 0 | 0 | 0 | 110.2 | R551 E557 R558 A559 | R551-W555 PolarHBondContact O-N 3.36Å; W555-E557 VanDerWaalsContact C-N 3.32Å; W555-E557 PolarHBondContact O-N 3.24Å; W555-R558 HydrophobicContact CB-CB 4.05Å; W555-R558 HydrophobicContact CB-CG 4.17Å; W555-R558 PolarHBondContact O-N 3.26Å; W555-A559 PolarHBondContact O-N 2.82Å | ||
| 556 | P | 90.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.3 | -44.1 | -172.9 | 21.4 | -33 | 0 | 0 | 0 | 112.3 | R558 A559 E560 I589 | P556-R558 VanDerWaalsContact C-N 3.32Å; P556-R558 PolarHBondContact O-N 3.16Å; P556-A559 WeakPolarHBondContact O-CB 3.5Å; P556-A559 PolarHBondContact O-N 2.77Å; P556-A559 VanDerWaalsContact O-N 3.14Å; P556-E560 WeakPolarHBondContact O-CB 3.38Å; P556-E560 PolarHBondContact O-N 2.74Å; P556-I589 WeakPolarHBondContact CB-O 3.41Å |
| 557 | E | 91.2 | Very high | 92.7 | Very high | 158 Ų | 158 | 59.6 Ų | 59.6 | 74% | 0.738 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59 | -39.1 | 177.3 | -62.5 | 175.5 | -176.6 | 0 | 0 | 113.2 | W555 E560 A561 | W555-E557 VanDerWaalsContact C-N 3.32Å; W555-E557 PolarHBondContact O-N 3.24Å; E557-E560 PolarHBondContact O-N 2.76Å; E557-A561 WeakPolarHBondContact O-CB 3.33Å; E557-A561 PolarHBondContact O-N 2.71Å |
| 558 | R | 93.9 | Very high | 92.8 | Very high | 119 Ų | 119 | 62.2 Ų | 62.2 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.4 | -39 | 178.1 | -63.8 | -175.4 | -177.2 | 151 | 0.5 | 111.2 | L550 W555 P556 E560 A562 | L550-R558 HydrophobicContact CD2-CB 4.31Å; W555-R558 HydrophobicContact CB-CB 4.05Å; W555-R558 HydrophobicContact CB-CG 4.17Å; W555-R558 PolarHBondContact O-N 3.26Å; P556-R558 VanDerWaalsContact C-N 3.32Å; P556-R558 PolarHBondContact O-N 3.16Å; R558-E560 VanDerWaalsContact C-N 3.31Å; R558-A562 WeakPolarHBondContact O-CB 3.31Å; R558-A562 PolarHBondContact O-N 2.83Å; R558-A562 VanDerWaalsContact O-N 3.08Å |
| 559 | A | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L550 P552 W555 P556 A562 R563 I589 | L550-A559 WeakPolarHBondContact O-CB 3.29Å; P552-A559 HydrophobicContact CB-CB 3.77Å; W555-A559 PolarHBondContact O-N 2.82Å; P556-A559 WeakPolarHBondContact O-CB 3.5Å; P556-A559 PolarHBondContact O-N 2.77Å; P556-A559 VanDerWaalsContact O-N 3.14Å; A559-A562 PolarHBondContact O-N 3.03Å; A559-R563 WeakPolarHBondContact O-CB 3.28Å; A559-R563 PolarHBondContact O-N 2.94Å; A559-I589 HydrophobicContact CB-CD1 4.21Å |
| 560 | E | 93.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 177.3 | 164.2 | 156.7 | -135.4 | 0 | 0 | 111.6 | P556 E557 R558 A562 R563 N564 I589 | P556-E560 WeakPolarHBondContact O-CB 3.38Å; P556-E560 PolarHBondContact O-N 2.74Å; E557-E560 PolarHBondContact O-N 2.76Å; R558-E560 VanDerWaalsContact C-N 3.31Å; E560-A562 PolarHBondContact O-N 2.59Å; E560-R563 VanDerWaalsContact CG-NH2 3.28Å; E560-R563 PolarHBondContact O-N 3.32Å; E560-R563 IonicContact OE1-NH2 3.35Å; E560-R563 PolarHBondContact OE1-NH2 3.09Å; E560-N564 WeakPolarHBondContact O-CB 3.2Å; E560-N564 PolarHBondContact O-N 3.28Å; E560-N564 PolarHBondContact O-OD1 2.87Å; E560-I589 HydrophobicContact CB-CD1 3.83Å; E560-I589 HydrophobicContact CB-CG1 4.23Å |
| 561 | A | 94.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E557 K565 | E557-A561 WeakPolarHBondContact O-CB 3.33Å; E557-A561 PolarHBondContact O-N 2.71Å; A561-K565 PolarHBondContact O-N 3.08Å |
| 562 | A | 94.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.2 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V542 L550 R558 A559 E560 K565 V566 | V542-A562 HydrophobicContact CG1-CB 3.75Å; V542-A562 HydrophobicContact CG2-CB 4.03Å; L550-A562 HydrophobicContact CD1-CB 4.01Å; L550-A562 HydrophobicContact CD2-CB 3.86Å; R558-A562 WeakPolarHBondContact O-CB 3.31Å; R558-A562 PolarHBondContact O-N 2.83Å; R558-A562 VanDerWaalsContact O-N 3.08Å; A559-A562 PolarHBondContact O-N 3.03Å; E560-A562 PolarHBondContact O-N 2.59Å; A562-K565 WeakPolarHBondContact O-CB 3.31Å; A562-K565 PolarHBondContact O-N 2.93Å; A562-V566 PolarHBondContact O-N 3.39Å |
| 563 | R | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 173.4 | 173.7 | -160.1 | 56.9 | -171.3 | -6.8 | 111 | S535 A538 M539 A559 E560 K565 V566 L567 E587 I589 | S535-R563 WeakPolarHBondContact O-CD 3.42Å; S535-R563 WeakPolarHBondContact O-CG 3.5Å; S535-R563 WeakPolarHBondContact OG-CD 3.03Å; S535-R563 PolarHBondContact OG-NH1 2.83Å; A538-R563 HydrophobicContact CB-CG 4.02Å; M539-R563 HydrophobicContact CB-CB 4.06Å; M539-R563 HydrophobicContact CB-CG 4.04Å; A559-R563 WeakPolarHBondContact O-CB 3.28Å; A559-R563 PolarHBondContact O-N 2.94Å; E560-R563 VanDerWaalsContact CG-NH2 3.28Å; E560-R563 PolarHBondContact O-N 3.32Å; E560-R563 IonicContact OE1-NH2 3.35Å; E560-R563 PolarHBondContact OE1-NH2 3.09Å; R563-K565 PolarHBondContact O-N 3.12Å; R563-V566 WeakPolarHBondContact O-CA 3.29Å; R563-V566 WeakPolarHBondContact O-CB 3.47Å; R563-V566 PolarHBondContact O-N 3.38Å; R563-L567 HydrophobicContact CG-CD1 3.86Å; R563-L567 HydrophobicContact CG-CG 4.3Å; R563-L567 PolarHBondContact O-N 2.92Å; R563-E587 PolarHBondContact NH1-O 2.94Å; R563-I589 HydrophobicContact CB-CD1 4.22Å; R563-I589 VanDerWaalsContact CZ-CG1 3.4Å |
| 564 | N | 95.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 62.3 Ų | 62.3 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -29.8 | -176.4 | -69.3 | -0.3 | 0 | 0 | 0 | 111.7 | E560 E568 R585 | E560-N564 WeakPolarHBondContact O-CB 3.2Å; E560-N564 PolarHBondContact O-N 3.28Å; E560-N564 PolarHBondContact O-OD1 2.87Å; N564-E568 WeakPolarHBondContact O-CB 3.47Å; N564-E568 PolarHBondContact O-N 3.4Å; N564-R585 PolarHBondContact O-NH2 2.73Å |
| 565 | K | 94.8 | Very high | 94.1 | Very high | 116 Ų | 116 | 57 Ų | 57 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 171.1 | -176.1 | -178.6 | 178.7 | -175.2 | 0 | 113.1 | A561 A562 R563 R569 | A561-K565 PolarHBondContact O-N 3.08Å; A562-K565 WeakPolarHBondContact O-CB 3.31Å; A562-K565 PolarHBondContact O-N 2.93Å; R563-K565 PolarHBondContact O-N 3.12Å; K565-R569 WeakPolarHBondContact O-CB 3.34Å; K565-R569 PolarHBondContact O-N 3.12Å; K565-R569 VanDerWaalsContact O-N 3.17Å |
| 566 | V | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 172.4 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | A423 Y427 A538 V542 A562 R563 E568 R569 M570 | A423-V566 HydrophobicContact CB-CG1 4.35Å; Y427-V566 HydrophobicContact CD1-CG2 4.16Å; Y427-V566 HydrophobicContact CD2-CB 4.07Å; Y427-V566 HydrophobicContact CD2-CG1 4.02Å; Y427-V566 HydrophobicContact CD2-CG2 3.74Å; Y427-V566 HydrophobicContact CE1-CG2 4.04Å; Y427-V566 HydrophobicContact CE2-CB 4.18Å; Y427-V566 HydrophobicContact CE2-CG2 3.62Å; Y427-V566 HydrophobicContact CG-CG1 4.28Å; Y427-V566 HydrophobicContact CG-CG2 4.02Å; A538-V566 HydrophobicContact CB-CB 3.98Å; A538-V566 HydrophobicContact CB-CG1 3.76Å; V542-V566 HydrophobicContact CB-CG2 3.62Å; V542-V566 HydrophobicContact CG1-CG2 4.03Å; V542-V566 HydrophobicContact CG2-CG2 4.2Å; A562-V566 PolarHBondContact O-N 3.39Å; R563-V566 WeakPolarHBondContact O-CA 3.29Å; R563-V566 WeakPolarHBondContact O-CB 3.47Å; R563-V566 PolarHBondContact O-N 3.38Å; V566-E568 VanDerWaalsContact C-N 3.34Å; V566-E568 PolarHBondContact O-N 2.99Å; V566-R569 WeakPolarHBondContact O-CA 3.41Å; V566-R569 WeakPolarHBondContact O-CB 3.13Å; V566-R569 PolarHBondContact O-N 2.85Å; V566-M570 HydrophobicContact CG1-CG 4.38Å; V566-M570 WeakPolarHBondContact O-CG 3.41Å; V566-M570 PolarHBondContact O-N 3.31Å |
| 567 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.1 | -47.2 | 177.2 | -74.2 | 170.1 | 0 | 0 | 0 | 112 | A538 R563 R569 M570 A571 W576 V581 R585 | A538-L567 HydrophobicContact CB-CD2 3.96Å; A538-L567 HydrophobicContact CB-CG 3.85Å; R563-L567 HydrophobicContact CG-CD1 3.86Å; R563-L567 HydrophobicContact CG-CG 4.3Å; R563-L567 PolarHBondContact O-N 2.92Å; L567-R569 VanDerWaalsContact C-N 3.3Å; L567-R569 PolarHBondContact O-N 3.39Å; L567-M570 PolarHBondContact O-N 2.94Å; L567-A571 PolarHBondContact O-N 3.29Å; L567-A571 VanDerWaalsContact O-N 3.07Å; L567-W576 HydrophobicContact CD2-CE3 3.96Å; L567-W576 HydrophobicContact CD2-CZ3 3.62Å; L567-V581 HydrophobicContact CB-CG1 4.03Å; L567-V581 HydrophobicContact CD2-CG2 4.37Å; L567-V581 WeakPolarHBondContact O-CG2 3.38Å; L567-R585 HydrophobicContact CD1-CG 3.85Å |
| 568 | E | 95.4 | Very high | 94.8 | Very high | 84 Ų | 84 | 54 Ų | 54 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 174.8 | -169.2 | 56.8 | -144.7 | 0 | 0 | 111.7 | N564 V566 M570 A571 V572 R585 | N564-E568 WeakPolarHBondContact O-CB 3.47Å; N564-E568 PolarHBondContact O-N 3.4Å; V566-E568 VanDerWaalsContact C-N 3.34Å; V566-E568 PolarHBondContact O-N 2.99Å; E568-M570 VanDerWaalsContact C-N 3.33Å; E568-M570 PolarHBondContact O-N 2.96Å; E568-A571 PolarHBondContact O-N 2.94Å; E568-V572 HydrophobicContact CG-CG2 4.34Å; E568-V572 WeakPolarHBondContact O-CG2 3.38Å; E568-V572 PolarHBondContact O-N 3.11Å; E568-R585 VanDerWaalsContact CB-NH2 3.34Å; E568-R585 IonicContact OE2-CZ 3.32Å; E568-R585 IonicContact OE2-NH1 3.48Å; E568-R585 PolarHBondContact OE2-NH1 3Å; E568-R585 IonicContact OE2-NH2 3.61Å; E568-R585 PolarHBondContact OE2-NH2 2.94Å |
| 569 | R | 94 | Very high | 94.7 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 36% | 0.362 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 180 | -174.4 | 161.3 | -64.2 | 169.3 | -5.5 | 111.8 | Y427 K565 V566 L567 A571 V572 Q573 | Y427-R569 HydrophobicContact CD2-CB 4.13Å; Y427-R569 HydrophobicContact CD2-CG 4.27Å; Y427-R569 HydrophobicContact CE2-CB 4.34Å; K565-R569 WeakPolarHBondContact O-CB 3.34Å; K565-R569 PolarHBondContact O-N 3.12Å; K565-R569 VanDerWaalsContact O-N 3.17Å; V566-R569 WeakPolarHBondContact O-CA 3.41Å; V566-R569 WeakPolarHBondContact O-CB 3.13Å; V566-R569 PolarHBondContact O-N 2.85Å; L567-R569 VanDerWaalsContact C-N 3.3Å; L567-R569 PolarHBondContact O-N 3.39Å; R569-A571 VanDerWaalsContact C-N 3.35Å; R569-V572 PolarHBondContact O-N 3.45Å; R569-Q573 HydrophobicContact CG-CG 4.27Å; R569-Q573 VanDerWaalsContact O-CB 3.31Å; R569-Q573 WeakPolarHBondContact O-CB 3.3Å; R569-Q573 WeakPolarHBondContact O-CG 3.43Å; R569-Q573 PolarHBondContact O-N 3.48Å |
| 570 | M | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.5 | -63.6 | -55.6 | 95 | 0 | 0 | 111.5 | N426 V566 L567 E568 G574 V575 W576 | N426-M570 HydrophobicContact CB-CE 3.66Å; N426-M570 HydrophobicContact CB-SD 3.91Å; V566-M570 HydrophobicContact CG1-CG 4.38Å; V566-M570 WeakPolarHBondContact O-CG 3.41Å; V566-M570 PolarHBondContact O-N 3.31Å; L567-M570 PolarHBondContact O-N 2.94Å; E568-M570 VanDerWaalsContact C-N 3.33Å; E568-M570 PolarHBondContact O-N 2.96Å; M570-G574 PolarHBondContact O-N 2.69Å; M570-V575 HydrophobicContact CB-CB 4.41Å; M570-V575 PolarHBondContact O-N 2.97Å; M570-V575 HydrophobicContact SD-CB 4.12Å; M570-V575 HydrophobicContact SD-CG1 4.08Å; M570-V575 HydrophobicContact SD-CG2 4.39Å; M570-W576 HydrophobicContact CB-CB 4.15Å; M570-W576 HydrophobicContact CB-CD2 3.67Å; M570-W576 HydrophobicContact CB-CE3 3.54Å; M570-W576 HydrophobicContact CB-CG 3.98Å; M570-W576 HydrophobicContact CB-CZ3 4.24Å; M570-W576 HydrophobicContact CG-CD2 3.82Å; M570-W576 HydrophobicContact CG-CE3 3.6Å; M570-W576 HydrophobicContact CG-CH2 4.18Å; M570-W576 HydrophobicContact CG-CZ2 4.35Å; M570-W576 HydrophobicContact CG-CZ3 3.8Å; M570-W576 PolarHBondContact O-N 3.06Å |
| 571 | A | 95.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L567 E568 R569 Q573 G574 R578 V581 | L567-A571 PolarHBondContact O-N 3.29Å; L567-A571 VanDerWaalsContact O-N 3.07Å; E568-A571 PolarHBondContact O-N 2.94Å; R569-A571 VanDerWaalsContact C-N 3.35Å; A571-Q573 VanDerWaalsContact C-N 3.28Å; A571-Q573 PolarHBondContact O-N 2.93Å; A571-G574 PolarHBondContact O-N 3.22Å; A571-R578 HydrophobicContact CB-CG 4.47Å; A571-V581 HydrophobicContact CB-CB 4.29Å; A571-V581 HydrophobicContact CB-CG1 4.24Å; A571-V581 HydrophobicContact CB-CG2 4.03Å |
| 572 | V | 94.3 | Very high | 94.5 | Very high | 106 Ų | 106 | 57.5 Ų | 57.5 | 64% | 0.642 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.6 | -34.2 | -178.6 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | E568 R569 G574 | E568-V572 HydrophobicContact CG-CG2 4.34Å; E568-V572 WeakPolarHBondContact O-CG2 3.38Å; E568-V572 PolarHBondContact O-N 3.11Å; R569-V572 PolarHBondContact O-N 3.45Å; V572-G574 VanDerWaalsContact C-N 3.27Å |
| 573 | Q | 93.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.3 | 177.1 | -69.1 | 174.2 | -8.6 | 0 | 0 | 113.4 | N426 R569 A571 V575 | N426-Q573 PolarHBondContact O-NE2 2.94Å; N426-Q573 PolarHBondContact O-OE1 3.02Å; R569-Q573 HydrophobicContact CG-CG 4.27Å; R569-Q573 VanDerWaalsContact O-CB 3.31Å; R569-Q573 WeakPolarHBondContact O-CB 3.3Å; R569-Q573 WeakPolarHBondContact O-CG 3.43Å; R569-Q573 PolarHBondContact O-N 3.48Å; A571-Q573 VanDerWaalsContact C-N 3.28Å; A571-Q573 PolarHBondContact O-N 2.93Å; Q573-V575 VanDerWaalsContact C-N 3.27Å; Q573-V575 HydrophobicContact CB-CG2 3.91Å; Q573-V575 PolarHBondContact O-N 3.45Å |
| 574 | G | 93.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 20.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M570 A571 V572 | M570-G574 PolarHBondContact O-N 2.69Å; A571-G574 PolarHBondContact O-N 3.22Å; V572-G574 VanDerWaalsContact C-N 3.27Å |
| 575 | V | 94.8 | Very high | 94 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 28% | 0.279 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -77 | -42.8 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 110 | E422 N426 M570 Q573 | E422-V575 HydrophobicContact CB-CG1 4.32Å; N426-V575 HydrophobicContact CB-CG2 4.19Å; M570-V575 HydrophobicContact CB-CB 4.41Å; M570-V575 PolarHBondContact O-N 2.97Å; M570-V575 HydrophobicContact SD-CB 4.12Å; M570-V575 HydrophobicContact SD-CG1 4.08Å; M570-V575 HydrophobicContact SD-CG2 4.39Å; Q573-V575 VanDerWaalsContact C-N 3.27Å; Q573-V575 HydrophobicContact CB-CG2 3.91Å; Q573-V575 PolarHBondContact O-N 3.45Å |
| 576 | W | 96 | Very high | 93.8 | Very high | 10 Ų | 10 | 66.7 Ų | 66.7 | 4% | 0.038 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -121.2 | 149.2 | 174.7 | -59.3 | -23.6 | 0 | 0 | 0 | 110.2 | R419 E422 A423 Y534 A537 A538 L567 M570 V581 | R419-W576 HydrophobicContact CB-CZ2 4.32Å; R419-W576 WeakPolarHBondContact O-CZ2 3.36Å; E422-W576 PolarHBondContact OE2-NE1 3.25Å; A423-W576 HydrophobicContact CB-CH2 3.74Å; A423-W576 HydrophobicContact CB-CZ2 3.92Å; Y534-W576 AromaticContact CD1-CD2 3.57Å; Y534-W576 HydrophobicContact CD1-CD2 3.57Å; Y534-W576 AromaticContact CD1-CE2 3.49Å; Y534-W576 VanDerWaalsContact CD1-CE2 3.49Å; Y534-W576 AromaticContact CD1-CE3 3.88Å; Y534-W576 HydrophobicContact CD1-CE3 3.88Å; Y534-W576 HydrophobicContact CD1-CG 4.02Å; Y534-W576 HydrophobicContact CD1-CH2 4.03Å; Y534-W576 AromaticContact CD1-CZ2 3.75Å; Y534-W576 HydrophobicContact CD1-CZ2 3.75Å; Y534-W576 HydrophobicContact CD1-CZ3 4.09Å; Y534-W576 AromaticContact CD1-NE1 3.84Å; Y534-W576 AromaticContact CE1-CD1 3.74Å; Y534-W576 HydrophobicContact CE1-CD2 4.04Å; Y534-W576 AromaticContact CE1-CE2 3.8Å; Y534-W576 HydrophobicContact CE1-CG 4.06Å; Y534-W576 HydrophobicContact CE1-CZ2 4.34Å; Y534-W576 AromaticContact CE1-NE1 3.63Å; A537-W576 HydrophobicContact CB-CH2 4.43Å; A538-W576 HydrophobicContact CB-CH2 4.24Å; A538-W576 HydrophobicContact CB-CZ3 4.06Å; L567-W576 HydrophobicContact CD2-CE3 3.96Å; L567-W576 HydrophobicContact CD2-CZ3 3.62Å; M570-W576 HydrophobicContact CB-CB 4.15Å; M570-W576 HydrophobicContact CB-CD2 3.67Å; M570-W576 HydrophobicContact CB-CE3 3.54Å; M570-W576 HydrophobicContact CB-CG 3.98Å; M570-W576 HydrophobicContact CB-CZ3 4.24Å; M570-W576 HydrophobicContact CG-CD2 3.82Å; M570-W576 HydrophobicContact CG-CE3 3.6Å; M570-W576 HydrophobicContact CG-CH2 4.18Å; M570-W576 HydrophobicContact CG-CZ2 4.35Å; M570-W576 HydrophobicContact CG-CZ3 3.8Å; M570-W576 PolarHBondContact O-N 3.06Å; W576-V581 HydrophobicContact CB-CG2 4.05Å; W576-V581 HydrophobicContact CE3-CG2 4.32Å |
| 577 | S | 95.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | trans | -68 | 156.2 | 179.1 | 71 | 0 | 0 | 0 | 0 | 111.7 | E579 Q580 V581 | S577-E579 VanDerWaalsContact C-N 3.27Å; S577-E579 PolarHBondContact O-N 3.31Å; S577-Q580 PolarHBondContact O-N 3.42Å; S577-Q580 WeakPolarHBondContact OG-CB 3.38Å; S577-Q580 PolarHBondContact OG-N 2.84Å; S577-Q580 VanDerWaalsContact OG-N 3.16Å; S577-V581 PolarHBondContact O-N 2.9Å | ||
| 578 | R | 94.1 | Very high | 92.7 | Very high | 187 Ų | 187 | 73.9 Ų | 73.9 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.6 | -35.2 | 178.9 | -73.8 | -172.1 | 173.8 | -159.6 | -1.3 | 111.6 | A571 V581 K582 | A571-R578 HydrophobicContact CB-CG 4.47Å; R578-V581 PolarHBondContact O-N 3.48Å; R578-K582 WeakPolarHBondContact O-CB 3.41Å; R578-K582 PolarHBondContact O-N 3.37Å |
| 579 | E | 92.1 | Very high | 92 | Very high | 127 Ų | 127 | 70.4 Ų | 70.4 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.4 | -50.3 | 176.1 | -63.7 | 69.4 | -151.8 | 0 | 0 | 110.2 | S577 V581 K582 E583 | S577-E579 VanDerWaalsContact C-N 3.27Å; S577-E579 PolarHBondContact O-N 3.31Å; E579-V581 VanDerWaalsContact C-N 3.32Å; E579-V581 PolarHBondContact O-N 3.1Å; E579-K582 WeakPolarHBondContact O-CB 3.27Å; E579-K582 PolarHBondContact O-N 3.28Å; E579-K582 VanDerWaalsContact O-N 3.09Å; E579-E583 WeakPolarHBondContact O-CG 3.5Å; E579-E583 PolarHBondContact O-N 3.06Å |
| 580 | Q | 91.3 | Very high | 90.7 | Very high | 55 Ų | 55 | 76.3 Ų | 76.3 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 179.3 | -173.7 | 147.9 | 58.4 | 0 | 0 | 112.4 | Y534 S577 S584 | Y534-Q580 HydrophobicContact CD1-CG 4.3Å; Y534-Q580 HydrophobicContact CD2-CG 3.95Å; Y534-Q580 HydrophobicContact CE1-CG 4.39Å; Y534-Q580 HydrophobicContact CE2-CG 4.07Å; Y534-Q580 HydrophobicContact CG-CG 4.08Å; Y534-Q580 VanDerWaalsContact CZ-NE2 3.34Å; Y534-Q580 VanDerWaalsContact CZ-OE1 3.31Å; Y534-Q580 PolarHBondContact OH-OE1 2.52Å; S577-Q580 PolarHBondContact O-N 3.42Å; S577-Q580 WeakPolarHBondContact OG-CB 3.38Å; S577-Q580 PolarHBondContact OG-N 2.84Å; S577-Q580 VanDerWaalsContact OG-N 3.16Å; Q580-S584 VanDerWaalsContact O-CB 3.28Å; Q580-S584 WeakPolarHBondContact O-CB 3.34Å; Q580-S584 PolarHBondContact O-N 3.03Å; Q580-S584 PolarHBondContact O-OG 3.06Å |
| 581 | V | 93.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 173.5 | 161.4 | 0 | 0 | 0 | 0 | 111.9 | L567 A571 W576 S577 R578 E579 S584 R585 | L567-V581 HydrophobicContact CB-CG1 4.03Å; L567-V581 HydrophobicContact CD2-CG2 4.37Å; L567-V581 WeakPolarHBondContact O-CG2 3.38Å; A571-V581 HydrophobicContact CB-CB 4.29Å; A571-V581 HydrophobicContact CB-CG1 4.24Å; A571-V581 HydrophobicContact CB-CG2 4.03Å; W576-V581 HydrophobicContact CB-CG2 4.05Å; W576-V581 HydrophobicContact CE3-CG2 4.32Å; S577-V581 PolarHBondContact O-N 2.9Å; R578-V581 PolarHBondContact O-N 3.48Å; E579-V581 VanDerWaalsContact C-N 3.32Å; E579-V581 PolarHBondContact O-N 3.1Å; V581-S584 PolarHBondContact O-N 3.42Å; V581-R585 WeakPolarHBondContact O-CG 3.43Å; V581-R585 PolarHBondContact O-N 3.35Å; V581-R585 VanDerWaalsContact O-N 3.14Å |
| 582 | K | 93 | Very high | 87.9 | Confident | 136 Ų | 136 | 80.5 Ų | 80.5 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -51.1 | 174.4 | -173.8 | -172.9 | 172.2 | -167.4 | 0 | 110.9 | R578 E579 S584 R585 E586 | R578-K582 WeakPolarHBondContact O-CB 3.41Å; R578-K582 PolarHBondContact O-N 3.37Å; E579-K582 WeakPolarHBondContact O-CB 3.27Å; E579-K582 PolarHBondContact O-N 3.28Å; E579-K582 VanDerWaalsContact O-N 3.09Å; K582-S584 VanDerWaalsContact C-N 3.31Å; K582-S584 PolarHBondContact O-N 3Å; K582-R585 WeakPolarHBondContact O-CB 3.22Å; K582-R585 PolarHBondContact O-N 3.29Å; K582-R585 VanDerWaalsContact O-N 3.11Å; K582-E586 PolarHBondContact O-N 3.27Å |
| 583 | E | 90.1 | Very high | 86.6 | Confident | 129 Ų | 129 | 80.5 Ų | 80.5 | 60% | 0.603 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57.6 | -43.2 | 175.9 | -69.1 | 173.4 | -178.8 | 0 | 0 | 111.6 | E579 R585 E586 | E579-E583 WeakPolarHBondContact O-CG 3.5Å; E579-E583 PolarHBondContact O-N 3.06Å; E583-R585 PolarHBondContact O-N 2.93Å; E583-E586 WeakPolarHBondContact O-CB 3.47Å; E583-E586 PolarHBondContact O-N 3.35Å; E583-E586 VanDerWaalsContact O-N 3.08Å |
| 584 | S | 91.7 | Very high | 85.5 | Confident | 8 Ų | 8 | 80.2 Ų | 80.2 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.1 | -25.2 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | Y534 S535 Q580 V581 K582 | Y534-S584 VanDerWaalsContact CB-OG 3.23Å; Y534-S584 WeakPolarHBondContact CB-OG 3.34Å; S535-S584 VanDerWaalsContact CB-O 3.29Å; S535-S584 WeakPolarHBondContact CB-O 3.47Å; S535-S584 PolarHBondContact OG-O 2.71Å; Q580-S584 VanDerWaalsContact O-CB 3.28Å; Q580-S584 WeakPolarHBondContact O-CB 3.34Å; Q580-S584 PolarHBondContact O-N 3.03Å; Q580-S584 PolarHBondContact O-OG 3.06Å; V581-S584 PolarHBondContact O-N 3.42Å; K582-S584 VanDerWaalsContact C-N 3.31Å; K582-S584 PolarHBondContact O-N 3Å |
| 585 | R | 92.7 | Very high | 84.2 | Confident | 90 Ų | 90 | 84 Ų | 84 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -77.5 | -23.5 | 175.3 | -78 | 178.3 | 172.4 | 174 | 2.1 | 112.8 | N564 L567 E568 V581 K582 E583 E587 | N564-R585 PolarHBondContact O-NH2 2.73Å; L567-R585 HydrophobicContact CD1-CG 3.85Å; E568-R585 VanDerWaalsContact CB-NH2 3.34Å; E568-R585 IonicContact OE2-CZ 3.32Å; E568-R585 IonicContact OE2-NH1 3.48Å; E568-R585 PolarHBondContact OE2-NH1 3Å; E568-R585 IonicContact OE2-NH2 3.61Å; E568-R585 PolarHBondContact OE2-NH2 2.94Å; V581-R585 WeakPolarHBondContact O-CG 3.43Å; V581-R585 PolarHBondContact O-N 3.35Å; V581-R585 VanDerWaalsContact O-N 3.14Å; K582-R585 WeakPolarHBondContact O-CB 3.22Å; K582-R585 PolarHBondContact O-N 3.29Å; K582-R585 VanDerWaalsContact O-N 3.11Å; E583-R585 PolarHBondContact O-N 2.93Å; R585-E587 VanDerWaalsContact C-N 3.3Å |
| 586 | E | 90.7 | Very high | 83 | Confident | 133 Ų | 133 | 83.3 Ų | 83.3 | 62% | 0.621 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -76.9 | -20.5 | 177.2 | -65.3 | 171.2 | -176.5 | 0 | 0 | 111.4 | K582 E583 P588 | K582-E586 PolarHBondContact O-N 3.27Å; E583-E586 WeakPolarHBondContact O-CB 3.47Å; E583-E586 PolarHBondContact O-N 3.35Å; E583-E586 VanDerWaalsContact O-N 3.08Å; E586-P588 VanDerWaalsContact O-CD 3.29Å; E586-P588 WeakPolarHBondContact O-CD 3.46Å |
| 587 | E | 86 | Confident | 81.8 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -68.1 | 113.6 | 171.2 | -169.6 | 177.1 | 171.7 | 0 | 0 | 110 | S533 S535 R563 R585 | S533-E587 PolarHBondContact OG-OE1 2.99Å; S533-E587 PolarHBondContact OG-OE2 2.95Å; S535-E587 WeakPolarHBondContact CB-OE2 3.38Å; R563-E587 PolarHBondContact NH1-O 2.94Å; R585-E587 VanDerWaalsContact C-N 3.3Å |
| 588 | P | 82.9 | Confident | 81.2 | Confident | 84 Ų | 84 | 87.1 Ų | 87.1 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | trans | -79.6 | 151.8 | -173.9 | 34 | -37 | 0 | 0 | 0 | 112.2 | E586 W590 | E586-P588 VanDerWaalsContact O-CD 3.29Å; E586-P588 WeakPolarHBondContact O-CD 3.46Å; P588-W590 PolarHBondContact O-N 2.82Å | ||
| 589 | I | 80.6 | Confident | 81 | Confident | 10 Ų | 10 | 79.1 Ų | 79.1 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | trans | -91.9 | 72.9 | 171.1 | -50.4 | -171.7 | 0 | 0 | 0 | 109.3 | M539 P552 P556 A559 E560 R563 L591 | M539-I589 HydrophobicContact CG-CD1 4.1Å; M539-I589 HydrophobicContact SD-CD1 3.74Å; M539-I589 HydrophobicContact SD-CG1 4.35Å; M539-I589 HydrophobicContact SD-CG2 3.81Å; P552-I589 HydrophobicContact CB-CG2 3.83Å; P556-I589 WeakPolarHBondContact CB-O 3.41Å; A559-I589 HydrophobicContact CB-CD1 4.21Å; E560-I589 HydrophobicContact CB-CD1 3.83Å; E560-I589 HydrophobicContact CB-CG1 4.23Å; R563-I589 HydrophobicContact CB-CD1 4.22Å; R563-I589 VanDerWaalsContact CZ-CG1 3.4Å; I589-L591 HydrophobicContact CG2-CD1 4.41Å; I589-L591 HydrophobicContact CG2-CG 4.15Å | ||
| 590 | W | 66.8 | Low | 81.1 | Confident | 221 Ų | 221 | 73.1 Ų | 73.1 | 84% | 0.837 | 36% | 0.356 | S | S | * | . | trans | -106.2 | 91.1 | 166.2 | -73.4 | 105.2 | 0 | 0 | 0 | 108.8 | P588 | P588-W590 PolarHBondContact O-N 2.82Š| ||
| 591 | L | 70.3 | Confident | 81.2 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 132.1 | 175.4 | -57.9 | -175.7 | 0 | 0 | 0 | 109.5 | L525 M539 P552 I589 | L525-L591 HydrophobicContact CD2-CD1 4.21Å; L525-L591 HydrophobicContact CD2-CD2 3.64Å; M539-L591 HydrophobicContact CE-CD1 4.15Å; M539-L591 HydrophobicContact SD-CD1 4.4Å; P552-L591 HydrophobicContact CB-CD1 3.55Å; P552-L591 HydrophobicContact CB-CG 4.43Å; P552-L591 HydrophobicContact CG-CD1 3.55Å; I589-L591 HydrophobicContact CG2-CD1 4.41Å; I589-L591 HydrophobicContact CG2-CG 4.15Å |
| 592 | A | 62.7 | Low | 81.2 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 155.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R594 | A592-R594 PolarHBondContact O-N 3.33Š|
| 593 | P | 67.5 | Low | 81.3 | Confident | 107 Ų | 107 | 65.3 Ų | 65.3 | 70% | 0.695 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -47.9 | 139.9 | 168.1 | -23.5 | 32.2 | 0 | 0 | 0 | 109.4 | Q595 | P593-Q595 WeakPolarHBondContact O-CG 3.43Å; P593-Q595 PolarHBondContact O-N 2.91Å |
| 594 | R | 69.7 | Low | 81.5 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 18% | 0.181 | 30% | 0.3 | C | S | . | . | trans | -43.8 | 107 | -176.4 | -68.8 | 179.5 | -174.1 | -159.6 | -6.7 | 111.1 | G511 A523 Y524 R551 D553 A592 | G511-R594 VanDerWaalsContact C-NH2 3.3Å; G511-R594 PolarHBondContact O-NH1 2.92Å; G511-R594 PolarHBondContact O-NH2 2.97Å; A523-R594 WeakPolarHBondContact O-CA 3.42Å; Y524-R594 HydrophobicContact CD1-CG 4.19Å; Y524-R594 HydrophobicContact CE1-CG 4.1Å; Y524-R594 PolarHBondContact OH-NH2 2.88Å; R551-R594 VanDerWaalsContact NH2-CZ 3.29Å; R551-R594 VanDerWaalsContact NH2-NE 3.18Å; D553-R594 HydrophobicContact CB-CG 4.16Å; D553-R594 IonicContact OD1-NE 2.66Å; D553-R594 IonicContact OD1-NH2 2.63Å; D553-R594 WeakPolarHBondContact OD2-CG 3.42Å; D553-R594 IonicContact OD2-NE 3.39Å; D553-R594 PolarHBondContact OD2-NE 3.31Å; A592-R594 PolarHBondContact O-N 3.33Å | ||
| 595 | Q | 66.2 | Low | 81.5 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -92.9 | 123.8 | 172.5 | -66.2 | -166.6 | -3.2 | 0 | 0 | 107.5 | P593 | P593-Q595 WeakPolarHBondContact O-CG 3.43Å; P593-Q595 PolarHBondContact O-N 2.91Å |
| 596 | M | 70.7 | Confident | 81.5 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -98.1 | 136.2 | 177.2 | -68 | -69.4 | -168 | 0 | 0 | 107.5 | R399 L514 A523 Q598 | R399-M596 VanDerWaalsContact NH1-CE 3.32Å; R399-M596 PolarHBondContact NH1-SD 3.42Å; R399-M596 VanDerWaalsContact NH2-CG 3.32Å; L514-M596 HydrophobicContact CD2-CE 3.87Å; A523-M596 HydrophobicContact CB-CE 4.05Å; A523-M596 HydrophobicContact CB-SD 3.82Å; M596-Q598 WeakPolarHBondContact O-CG 3.25Å; M596-Q598 PolarHBondContact O-N 2.92Å; M596-Q598 VanDerWaalsContact O-N 3.16Å |
| 597 | P | 70.4 | Confident | 81.6 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 123.6 | 174.7 | -21.4 | 31.4 | 0 | 0 | 0 | 110.3 | P396 L397 | P396-P597 HydrophobicContact CB-CB 4.12Å; P396-P597 HydrophobicContact CB-CG 4.04Å; P396-P597 HydrophobicContact CG-CG 4.36Å; P396-P597 WeakPolarHBondContact O-CB 3.43Å; L397-P597 CarbonylContact O-C 3.43Å |
| 598 | Q | 82.5 | Confident | 81.7 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | trans | -133.6 | 46.6 | -172.8 | -78.1 | -175 | 3.2 | 0 | 0 | 111.5 | W398 M596 | W398-Q598 HydrophobicContact CE3-CB 4.32Å; W398-Q598 HydrophobicContact CH2-CG 4.25Å; W398-Q598 VanDerWaalsContact CZ3-CA 3.5Å; W398-Q598 HydrophobicContact CZ3-CB 3.72Å; W398-Q598 HydrophobicContact CZ3-CG 3.84Å; M596-Q598 WeakPolarHBondContact O-CG 3.25Å; M596-Q598 PolarHBondContact O-N 2.92Å; M596-Q598 VanDerWaalsContact O-N 3.16Å | ||
| 599 | L | 90.1 | Very high | 81.9 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | trans | -102.7 | 146.5 | 177.2 | -61.4 | 176.8 | 0 | 0 | 0 | 111.5 | L397 A622 Q625 R626 E629 | L397-L599 CarbonylContact C-O 3.57Å; L397-L599 HydrophobicContact CB-CB 4.4Å; L397-L599 HydrophobicContact CD2-CB 4.26Å; L397-L599 HydrophobicContact CD2-CD1 4.41Å; L397-L599 WeakPolarHBondContact O-CA 3.45Å; L397-L599 PolarHBondContact O-N 3.27Å; L599-A622 HydrophobicContact CD1-CB 4.33Å; L599-Q625 HydrophobicContact CB-CG 4.19Å; L599-R626 HydrophobicContact CD1-CB 4.35Å; L599-R626 HydrophobicContact CD2-CB 3.93Å; L599-R626 HydrophobicContact CD2-CG 4.21Å; L599-E629 WeakPolarHBondContact CD2-OE2 3.35Å | ||
| 600 | A | 93.5 | Very high | 82.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | trans | 49.2 | 50.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L602 F603 S604 L620 Q625 E629 | A600-L602 PolarHBondContact O-N 2.79Å; A600-F603 HydrophobicContact CB-CB 4.04Å; A600-F603 HydrophobicContact CB-CD1 4.47Å; A600-F603 PolarHBondContact O-N 3.35Å; A600-S604 VanDerWaalsContact O-CB 3.29Å; A600-S604 WeakPolarHBondContact O-CB 3.24Å; A600-S604 PolarHBondContact O-N 3.46Å; A600-S604 PolarHBondContact O-OG 3.29Å; A600-L620 HydrophobicContact CB-CD1 3.65Å; A600-Q625 HydrophobicContact CB-CG 4.01Å; A600-E629 VanDerWaalsContact CA-OE1 3.27Å; A600-E629 WeakPolarHBondContact CA-OE1 3.46Å; A600-E629 PolarHBondContact N-OE1 2.87Å | ||
| 601 | P | 92.6 | Very high | 83.1 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.2 | -46.6 | -175.5 | 17.4 | -30.4 | 0 | 0 | 0 | 113.8 | W398 S604 R605 L666 | W398-P601 HydrophobicContact CD2-CB 4.07Å; W398-P601 HydrophobicContact CE3-CB 3.7Å; W398-P601 HydrophobicContact CE3-CG 4.44Å; W398-P601 HydrophobicContact CH2-CB 3.74Å; W398-P601 HydrophobicContact CZ2-CB 4.07Å; W398-P601 HydrophobicContact CZ3-CB 3.54Å; W398-P601 HydrophobicContact CZ3-CG 4.11Å; P601-S604 PolarHBondContact O-N 2.84Å; P601-R605 WeakPolarHBondContact O-CB 3.4Å; P601-R605 PolarHBondContact O-N 2.79Å; P601-L666 HydrophobicContact CB-CD1 4.19Å; P601-L666 HydrophobicContact CB-CD2 3.62Å; P601-L666 HydrophobicContact CB-CG 4.47Å; P601-L666 HydrophobicContact CG-CB 4.38Å; P601-L666 HydrophobicContact CG-CD1 4.15Å; P601-L666 HydrophobicContact CG-CD2 3.8Å; P601-L666 HydrophobicContact CG-CG 4.33Å |
| 602 | L | 94.8 | Very high | 83.7 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.2 | -41.8 | -175.7 | -65 | 173 | 0 | 0 | 0 | 111.5 | A600 R605 M606 L666 H674 D676 | A600-L602 PolarHBondContact O-N 2.79Å; L602-R605 VanDerWaalsContact CD2-NH2 3.31Å; L602-R605 PolarHBondContact O-N 3.15Å; L602-M606 PolarHBondContact O-N 3.12Å; L602-L666 HydrophobicContact CD2-CD1 3.78Å; L602-L666 HydrophobicContact CG-CD1 4.01Å; L602-H674 WeakPolarHBondContact CD2-O 3.32Å; L602-D676 HydrophobicContact CB-CB 4.12Å; L602-D676 HydrophobicContact CD1-CB 4.27Å |
| 603 | F | 95.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 171.7 | 178.3 | -100.3 | 0 | 0 | 0 | 111.6 | A600 R605 M606 M607 T618 L620 W660 L810 | A600-F603 HydrophobicContact CB-CB 4.04Å; A600-F603 HydrophobicContact CB-CD1 4.47Å; A600-F603 PolarHBondContact O-N 3.35Å; F603-R605 VanDerWaalsContact C-N 3.32Å; F603-R605 PolarHBondContact O-N 2.85Å; F603-M606 HydrophobicContact CD2-CE 3.52Å; F603-M606 HydrophobicContact CE2-CE 3.61Å; F603-M606 HydrophobicContact CG-CE 4.43Å; F603-M606 WeakPolarHBondContact O-CB 3.48Å; F603-M606 PolarHBondContact O-N 3.39Å; F603-M606 VanDerWaalsContact O-N 3.13Å; F603-M607 HydrophobicContact CD1-CG 4.1Å; F603-M607 HydrophobicContact CE1-CG 3.72Å; F603-M607 HydrophobicContact CE2-CG 4.3Å; F603-M607 HydrophobicContact CE2-SD 4.42Å; F603-M607 HydrophobicContact CZ-CG 3.83Å; F603-M607 HydrophobicContact CZ-SD 4.09Å; F603-M607 WeakPolarHBondContact O-CG 3.38Å; F603-M607 PolarHBondContact O-N 2.84Å; F603-T618 HydrophobicContact CE1-CG2 3.76Å; F603-T618 HydrophobicContact CZ-CG2 4.41Å; F603-L620 HydrophobicContact CB-CD1 4.38Å; F603-L620 HydrophobicContact CD1-CD1 3.29Å; F603-L620 HydrophobicContact CD1-CG 4.08Å; F603-L620 HydrophobicContact CD2-CD1 4.4Å; F603-L620 HydrophobicContact CE1-CD1 3.47Å; F603-L620 VanDerWaalsContact CE1-CD1 3.47Å; F603-L620 HydrophobicContact CE1-CG 3.72Å; F603-L620 HydrophobicContact CG-CD1 3.78Å; F603-L620 HydrophobicContact CZ-CD1 4.14Å; F603-L620 HydrophobicContact CZ-CG 4.04Å; F603-W660 HydrophobicContact CB-CB 4.07Å; F603-W660 HydrophobicContact CB-CD2 4.28Å; F603-W660 HydrophobicContact CB-CG 3.76Å; F603-W660 HydrophobicContact CD2-CB 4Å; F603-W660 AromaticContact CD2-CD2 3.49Å; F603-W660 HydrophobicContact CD2-CD2 3.49Å; F603-W660 VanDerWaalsContact CD2-CD2 3.49Å; F603-W660 AromaticContact CD2-CE3 3.54Å; F603-W660 HydrophobicContact CD2-CE3 3.54Å; F603-W660 AromaticContact CD2-CG 3.7Å; F603-W660 HydrophobicContact CD2-CG 3.7Å; F603-W660 HydrophobicContact CD2-CZ3 4.22Å; F603-W660 HydrophobicContact CE2-CD2 4.28Å; F603-W660 AromaticContact CE2-CE3 3.86Å; F603-W660 HydrophobicContact CE2-CE3 3.86Å; F603-W660 HydrophobicContact CE2-CZ3 4.35Å; F603-W660 HydrophobicContact CG-CB 4.18Å; F603-W660 HydrophobicContact CG-CD2 4.31Å; F603-W660 HydrophobicContact CG-CG 4.08Å; F603-L810 HydrophobicContact CE2-CB 4.45Å; F603-L810 HydrophobicContact CE2-CD2 3.89Å; F603-L810 HydrophobicContact CZ-CB 4.23Å; F603-L810 HydrophobicContact CZ-CD2 4.4Å |
| 604 | S | 93.2 | Very high | 85.3 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | -179.9 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | W398 A600 P601 M607 L608 | W398-S604 WeakPolarHBondContact CB-OG 3.47Å; A600-S604 VanDerWaalsContact O-CB 3.29Å; A600-S604 WeakPolarHBondContact O-CB 3.24Å; A600-S604 PolarHBondContact O-N 3.46Å; A600-S604 PolarHBondContact O-OG 3.29Å; P601-S604 PolarHBondContact O-N 2.84Å; S604-M607 PolarHBondContact O-N 3.2Å; S604-L608 PolarHBondContact O-N 2.75Å |
| 605 | R | 91.4 | Very high | 86 | Confident | 124 Ų | 124 | 67 Ų | 67 | 47% | 0.468 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 172.3 | -173.4 | 175.6 | 65 | 179.8 | 0.2 | 112.3 | F400 P601 L602 F603 M607 L608 H674 | F400-R605 HydrophobicContact CZ-CB 4.4Å; P601-R605 WeakPolarHBondContact O-CB 3.4Å; P601-R605 PolarHBondContact O-N 2.79Å; L602-R605 VanDerWaalsContact CD2-NH2 3.31Å; L602-R605 PolarHBondContact O-N 3.15Å; F603-R605 VanDerWaalsContact C-N 3.32Å; F603-R605 PolarHBondContact O-N 2.85Å; R605-M607 VanDerWaalsContact C-N 3.34Å; R605-L608 PolarHBondContact O-N 3.01Å; R605-H674 PolarHBondContact NH2-O 2.79Å |
| 606 | M | 93 | Very high | 87.1 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 172.9 | 178.8 | -162.2 | 61.6 | 0 | 0 | 111.2 | L602 F603 L608 G609 K610 W660 N679 L810 | L602-M606 PolarHBondContact O-N 3.12Å; F603-M606 HydrophobicContact CD2-CE 3.52Å; F603-M606 HydrophobicContact CE2-CE 3.61Å; F603-M606 HydrophobicContact CG-CE 4.43Å; F603-M606 WeakPolarHBondContact O-CB 3.48Å; F603-M606 PolarHBondContact O-N 3.39Å; F603-M606 VanDerWaalsContact O-N 3.13Å; M606-L608 VanDerWaalsContact C-N 3.33Å; M606-L608 PolarHBondContact O-N 2.94Å; M606-G609 PolarHBondContact O-N 3.33Å; M606-G609 VanDerWaalsContact O-N 3.11Å; M606-K610 PolarHBondContact O-N 3.24Å; M606-W660 HydrophobicContact CE-CH2 4.14Å; M606-W660 HydrophobicContact CE-CZ2 4.41Å; M606-W660 HydrophobicContact CE-CZ3 4.36Å; M606-W660 HydrophobicContact SD-CH2 4.07Å; M606-W660 HydrophobicContact SD-CZ2 4.21Å; M606-N679 PolarHBondContact SD-ND2 2.61Å; M606-L810 HydrophobicContact CE-CD1 3.74Å |
| 607 | M | 93.4 | Very high | 88 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -34.8 | -179.6 | -72.6 | -53.8 | -62.1 | 0 | 0 | 112.9 | F603 S604 R605 G609 K610 S611 I616 T618 L810 Q811 | F603-M607 HydrophobicContact CD1-CG 4.1Å; F603-M607 HydrophobicContact CE1-CG 3.72Å; F603-M607 HydrophobicContact CE2-CG 4.3Å; F603-M607 HydrophobicContact CE2-SD 4.42Å; F603-M607 HydrophobicContact CZ-CG 3.83Å; F603-M607 HydrophobicContact CZ-SD 4.09Å; F603-M607 WeakPolarHBondContact O-CG 3.38Å; F603-M607 PolarHBondContact O-N 2.84Å; S604-M607 PolarHBondContact O-N 3.2Å; R605-M607 VanDerWaalsContact C-N 3.34Å; M607-G609 PolarHBondContact O-N 2.91Å; M607-K610 PolarHBondContact O-N 3.46Å; M607-K610 HydrophobicContact SD-CD 4.41Å; M607-S611 PolarHBondContact O-N 3.4Å; M607-I616 HydrophobicContact CB-CD1 4.36Å; M607-I616 HydrophobicContact CB-CG2 4.36Å; M607-I616 HydrophobicContact CE-CG2 3.86Å; M607-T618 HydrophobicContact CG-CG2 4.41Å; M607-L810 HydrophobicContact CE-CB 4.34Å; M607-L810 HydrophobicContact SD-CB 3.93Å; M607-L810 HydrophobicContact SD-CD1 3.86Å; M607-Q811 HydrophobicContact CE-CG 3.51Å |
| 608 | L | 87.7 | Confident | 89.1 | Confident | 88 Ų | 88 | 65 Ų | 65 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -30.8 | 173.4 | -171.3 | 67.3 | 0 | 0 | 0 | 112.5 | F400 S604 R605 M606 K610 | F400-L608 HydrophobicContact CD1-CD2 4.01Å; F400-L608 HydrophobicContact CD2-CD1 4.22Å; F400-L608 HydrophobicContact CD2-CD2 4.01Å; F400-L608 HydrophobicContact CE1-CD2 4.03Å; F400-L608 HydrophobicContact CE2-CB 4.12Å; F400-L608 HydrophobicContact CE2-CD1 4.47Å; F400-L608 HydrophobicContact CE2-CD2 4.02Å; F400-L608 HydrophobicContact CE2-CG 4.44Å; F400-L608 HydrophobicContact CG-CD2 4.01Å; F400-L608 HydrophobicContact CZ-CB 4.36Å; F400-L608 HydrophobicContact CZ-CD2 4.04Å; S604-L608 PolarHBondContact O-N 2.75Å; R605-L608 PolarHBondContact O-N 3.01Å; M606-L608 VanDerWaalsContact C-N 3.33Å; M606-L608 PolarHBondContact O-N 2.94Å; L608-K610 VanDerWaalsContact C-N 3.35Å |
| 609 | G | 87.3 | Confident | 89.7 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 76% | 0.763 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -76.7 | -18.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M606 M607 | M606-G609 PolarHBondContact O-N 3.33Å; M606-G609 VanDerWaalsContact O-N 3.11Å; M607-G609 PolarHBondContact O-N 2.91Å |
| 610 | K | 88 | Confident | 89.9 | Confident | 123 Ų | 123 | 59.6 Ų | 59.6 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -98.8 | -27.3 | -177.3 | -65.6 | -171.5 | -178.4 | -173.6 | 0 | 113.7 | M606 M607 L608 L810 | M606-K610 PolarHBondContact O-N 3.24Å; M607-K610 PolarHBondContact O-N 3.46Å; M607-K610 HydrophobicContact SD-CD 4.41Å; L608-K610 VanDerWaalsContact C-N 3.35Å; K610-L810 HydrophobicContact CD-CD1 4.33Å |
| 611 | S | 84.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -127 | 141.5 | -177.3 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | M607 S613 | M607-S611 PolarHBondContact O-N 3.4Å; S611-S613 PolarHBondContact OG-N 3.16Å; S611-S613 PolarHBondContact OG-OG 3.1Å | ||
| 612 | K | 83.1 | Confident | 89.6 | Confident | 211 Ų | 211 | 59.5 Ų | 59.5 | 92% | 0.917 | 32% | 0.316 | S | S | * | . | trans | -96.8 | 3.5 | 175.1 | -63.5 | -172.3 | 179.8 | -177.4 | 0 | 113.2 | ||||
| 613 | S | 83.5 | Confident | 89.3 | Confident | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | trans | -73.7 | 140.7 | -177.7 | -60.3 | 0 | 0 | 0 | 0 | 112 | S611 K615 | S611-S613 PolarHBondContact OG-N 3.16Å; S611-S613 PolarHBondContact OG-OG 3.1Å; S613-K615 PolarHBondContact O-N 2.76Å | ||
| 614 | D | 79.5 | Confident | 89.2 | Confident | 157 Ų | 157 | 60 Ų | 60 | 84% | 0.84 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -64.3 | -24.9 | 176.6 | -67 | -19.4 | 0 | 0 | 0 | 113.2 | P410 | P410-D614 HydrophobicContact CG-CB 4.18Š|
| 615 | K | 85.3 | Confident | 89.2 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -128.1 | 114.3 | 173.6 | -177.5 | -178.4 | 178.4 | 178.9 | 0 | 108.4 | S613 V617 | S613-K615 PolarHBondContact O-N 2.76Å; K615-V617 HydrophobicContact CG-CG2 4.49Å |
| 616 | I | 88.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | trans | -101.4 | 113.1 | 176.9 | -54.3 | 171.5 | 0 | 0 | 0 | 107.7 | M607 T618 | M607-I616 HydrophobicContact CB-CD1 4.36Å; M607-I616 HydrophobicContact CB-CG2 4.36Å; M607-I616 HydrophobicContact CE-CG2 3.86Å; I616-T618 HydrophobicContact CG2-CG2 4.07Å | ||
| 617 | V | 89.8 | Confident | 89.3 | Confident | 81 Ų | 81 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | -90.5 | 127 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | K615 Q811 P812 | K615-V617 HydrophobicContact CG-CG2 4.49Å; V617-Q811 WeakPolarHBondContact O-CG 2.99Å; V617-P812 HydrophobicContact CG1-CG 3.91Å; V617-P812 VanDerWaalsContact O-CD 3.32Å; V617-P812 WeakPolarHBondContact O-CD 3.42Å | ||
| 618 | T | 93.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | trans | -116 | 175.2 | -174.8 | 75.9 | 0 | 0 | 0 | 0 | 110.5 | L397 F603 M607 I616 L810 | L397-T618 WeakPolarHBondContact CD1-OG1 3.34Å; F603-T618 HydrophobicContact CE1-CG2 3.76Å; F603-T618 HydrophobicContact CZ-CG2 4.41Å; M607-T618 HydrophobicContact CG-CG2 4.41Å; I616-T618 HydrophobicContact CG2-CG2 4.07Å; T618-L810 CarbonylContact C-O 3.38Å; T618-L810 WeakPolarHBondContact CA-O 3.44Å; T618-L810 WeakPolarHBondContact CB-O 3.41Å | ||
| 619 | T | 94.5 | Very high | 89.8 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.08 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -93 | -3.5 | 178 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | R656 V657 R658 R809 L810 Q811 | T619-R656 HydrophobicContact CG2-CB 4.08Å; T619-R656 HydrophobicContact CG2-CG 3.74Å; T619-V657 CarbonylContact C-O 3.44Å; T619-V657 WeakPolarHBondContact CB-O 3.33Å; T619-V657 PolarHBondContact OG1-N 2.6Å; T619-V657 PolarHBondContact OG1-O 2.89Å; T619-R658 WeakPolarHBondContact O-CD 3.47Å; T619-R809 PolarHBondContact OG1-O 3.46Å; T619-R809 VanDerWaalsContact OG1-O 3.1Å; T619-L810 PolarHBondContact N-O 3.11Å; T619-L810 PolarHBondContact OG1-O 2.84Å; T619-Q811 VanDerWaalsContact CG2-C 3.48Å |
| 620 | L | 94.4 | Very high | 90.1 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | trans | -64 | 139.9 | -179 | -66.7 | -173.1 | 0 | 0 | 0 | 110.8 | L397 A600 F603 V657 W660 | L397-L620 HydrophobicContact CD1-CB 3.85Å; L397-L620 HydrophobicContact CD1-CD1 3.98Å; L397-L620 HydrophobicContact CD1-CG 4.38Å; A600-L620 HydrophobicContact CB-CD1 3.65Å; F603-L620 HydrophobicContact CB-CD1 4.38Å; F603-L620 HydrophobicContact CD1-CD1 3.29Å; F603-L620 HydrophobicContact CD1-CG 4.08Å; F603-L620 HydrophobicContact CD2-CD1 4.4Å; F603-L620 HydrophobicContact CE1-CD1 3.47Å; F603-L620 VanDerWaalsContact CE1-CD1 3.47Å; F603-L620 HydrophobicContact CE1-CG 3.72Å; F603-L620 HydrophobicContact CG-CD1 3.78Å; F603-L620 HydrophobicContact CZ-CD1 4.14Å; F603-L620 HydrophobicContact CZ-CG 4.04Å; L620-V657 HydrophobicContact CD2-CB 4.46Å; L620-V657 HydrophobicContact CD2-CG1 3.87Å; L620-V657 PolarHBondContact N-O 2.84Å; L620-W660 HydrophobicContact CD1-CB 4.27Å; L620-W660 HydrophobicContact CD2-CB 4.11Å | ||
| 621 | D | 91.9 | Very high | 90.4 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | trans | -90.3 | 113.7 | 173 | 177.9 | -52.6 | 0 | 0 | 0 | 108.3 | G623 L624 Q625 R658 R911 | D621-G623 VanDerWaalsContact C-N 3.28Å; D621-G623 PolarHBondContact O-N 3.4Å; D621-G623 PolarHBondContact OD1-N 3Å; D621-G623 VanDerWaalsContact OD1-N 3.1Å; D621-L624 HydrophobicContact CB-CB 3.89Å; D621-L624 PolarHBondContact O-N 3.15Å; D621-L624 PolarHBondContact OD1-N 3.4Å; D621-Q625 VanDerWaalsContact O-CB 3.23Å; D621-Q625 WeakPolarHBondContact O-CB 3.49Å; D621-Q625 PolarHBondContact O-N 2.96Å; D621-R658 PolarHBondContact N-O 3.27Å; D621-R658 IonicContact OD2-NH2 3.53Å; D621-R658 PolarHBondContact OD2-NH2 3.47Å; D621-R911 VanDerWaalsContact CG-NH2 3.35Å; D621-R911 IonicContact OD1-CZ 3.53Å; D621-R911 IonicContact OD1-NH2 2.77Å; D621-R911 PolarHBondContact OD1-NH2 3.49Å; D621-R911 IonicContact OD2-NH2 3.6Å; D621-R911 PolarHBondContact OD2-NH2 3.13Å; D621-R911 VanDerWaalsContact OD2-NH2 3.1Å | ||
| 622 | A | 89.6 | Confident | 90.9 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -35.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T395 L397 L599 R626 | T395-A622 HydrophobicContact CG2-CB 3.98Å; L397-A622 HydrophobicContact CD2-CB 3.86Å; L599-A622 HydrophobicContact CD1-CB 4.33Å; A622-R626 WeakPolarHBondContact O-CB 3.44Å; A622-R626 PolarHBondContact O-N 2.84Å |
| 623 | G | 88.4 | Confident | 91.3 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 19% | 0.186 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.2 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D621 R627 | D621-G623 VanDerWaalsContact C-N 3.28Å; D621-G623 PolarHBondContact O-N 3.4Å; D621-G623 PolarHBondContact OD1-N 3Å; D621-G623 VanDerWaalsContact OD1-N 3.1Å; G623-R627 PolarHBondContact O-N 2.73Å |
| 624 | L | 92.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 173.5 | 175.9 | 61.8 | 0 | 0 | 0 | 110.7 | D621 R626 R627 L628 V649 R658 I907 L908 | D621-L624 HydrophobicContact CB-CB 3.89Å; D621-L624 PolarHBondContact O-N 3.15Å; D621-L624 PolarHBondContact OD1-N 3.4Å; L624-R626 VanDerWaalsContact C-N 3.32Å; L624-R626 PolarHBondContact O-N 2.59Å; L624-R627 PolarHBondContact O-N 3.3Å; L624-L628 HydrophobicContact CD1-CD1 4.18Å; L624-L628 HydrophobicContact CD1-CD2 4.38Å; L624-L628 HydrophobicContact CD1-CG 4.05Å; L624-L628 HydrophobicContact CG-CD1 3.95Å; L624-L628 HydrophobicContact CG-CG 4.25Å; L624-L628 VanDerWaalsContact O-CG 3.3Å; L624-L628 WeakPolarHBondContact O-CG 3.41Å; L624-L628 PolarHBondContact O-N 2.79Å; L624-V649 HydrophobicContact CD2-CG1 4.35Å; L624-R658 HydrophobicContact CD2-CB 3.93Å; L624-I907 HydrophobicContact CD1-CG2 3.78Å; L624-L908 HydrophobicContact CD1-CD2 3.8Å; L624-L908 HydrophobicContact CD2-CD2 3.69Å; L624-L908 HydrophobicContact CG-CD2 4.42Å |
| 625 | Q | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.9 | -46.5 | 180 | -177.4 | 64.1 | 30.5 | 0 | 0 | 111.8 | L599 A600 D621 L628 E629 W660 | L599-Q625 HydrophobicContact CB-CG 4.19Å; A600-Q625 HydrophobicContact CB-CG 4.01Å; D621-Q625 VanDerWaalsContact O-CB 3.23Å; D621-Q625 WeakPolarHBondContact O-CB 3.49Å; D621-Q625 PolarHBondContact O-N 2.96Å; Q625-L628 PolarHBondContact O-N 3.23Å; Q625-E629 PolarHBondContact NE2-OE1 3.17Å; Q625-E629 PolarHBondContact O-N 3.43Å; Q625-W660 PolarHBondContact NE2-O 3.42Å |
| 626 | R | 92.5 | Very high | 92.4 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.4 | -173.1 | -177.2 | -56.7 | 99.9 | 3.1 | 111.9 | L599 A622 L624 L628 E629 E630 | L599-R626 HydrophobicContact CD1-CB 4.35Å; L599-R626 HydrophobicContact CD2-CB 3.93Å; L599-R626 HydrophobicContact CD2-CG 4.21Å; A622-R626 WeakPolarHBondContact O-CB 3.44Å; A622-R626 PolarHBondContact O-N 2.84Å; L624-R626 VanDerWaalsContact C-N 3.32Å; L624-R626 PolarHBondContact O-N 2.59Å; R626-L628 VanDerWaalsContact C-N 3.29Å; R626-L628 PolarHBondContact O-N 3.37Å; R626-E629 PolarHBondContact O-N 3.25Å; R626-E630 WeakPolarHBondContact CG-OE1 3.36Å; R626-E630 WeakPolarHBondContact O-CB 3.2Å; R626-E630 WeakPolarHBondContact O-CG 3.45Å; R626-E630 PolarHBondContact O-N 2.96Å |
| 627 | R | 93.3 | Very high | 92.4 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 28% | 0.275 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.8 | -37 | 177.2 | -72.6 | -178.1 | 175.4 | -120.1 | 1.2 | 112.3 | D362 G623 L624 L631 | D362-R627 IonicContact OD2-CZ 2.68Å; D362-R627 IonicContact OD2-NH1 3.49Å; D362-R627 PolarHBondContact OD2-NH1 2.77Å; D362-R627 IonicContact OD2-NH2 3Å; D362-R627 PolarHBondContact OD2-NH2 3.04Å; G623-R627 PolarHBondContact O-N 2.73Å; L624-R627 PolarHBondContact O-N 3.3Å; R627-L631 VanDerWaalsContact O-CB 3.24Å; R627-L631 WeakPolarHBondContact O-CB 3.1Å; R627-L631 PolarHBondContact O-N 3.17Å |
| 628 | L | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 176 | -66.6 | 176.7 | 0 | 0 | 0 | 112.2 | L624 Q625 R626 L631 A632 M647 V649 V661 V904 | L624-L628 HydrophobicContact CD1-CD1 4.18Å; L624-L628 HydrophobicContact CD1-CD2 4.38Å; L624-L628 HydrophobicContact CD1-CG 4.05Å; L624-L628 HydrophobicContact CG-CD1 3.95Å; L624-L628 HydrophobicContact CG-CG 4.25Å; L624-L628 VanDerWaalsContact O-CG 3.3Å; L624-L628 WeakPolarHBondContact O-CG 3.41Å; L624-L628 PolarHBondContact O-N 2.79Å; Q625-L628 PolarHBondContact O-N 3.23Å; R626-L628 VanDerWaalsContact C-N 3.29Å; R626-L628 PolarHBondContact O-N 3.37Å; L628-L631 WeakPolarHBondContact O-CB 3.39Å; L628-L631 PolarHBondContact O-N 3.28Å; L628-A632 PolarHBondContact O-N 2.96Å; L628-M647 HydrophobicContact CB-CE 4.24Å; L628-M647 WeakPolarHBondContact O-CE 3.29Å; L628-V649 HydrophobicContact CD1-CG2 3.96Å; L628-V661 HydrophobicContact CB-CG2 3.76Å; L628-V904 HydrophobicContact CD2-CB 4.32Å; L628-V904 HydrophobicContact CD2-CG1 3.86Å; L628-V904 HydrophobicContact CD2-CG2 3.66Å |
| 629 | E | 94.9 | Very high | 92 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.9 | -39.9 | 176.4 | -72.9 | -179.1 | -179.1 | 0 | 0 | 112.3 | L599 A600 Q625 R626 L631 A632 Q633 V661 | L599-E629 WeakPolarHBondContact CD2-OE2 3.35Å; A600-E629 VanDerWaalsContact CA-OE1 3.27Å; A600-E629 WeakPolarHBondContact CA-OE1 3.46Å; A600-E629 PolarHBondContact N-OE1 2.87Å; Q625-E629 PolarHBondContact NE2-OE1 3.17Å; Q625-E629 PolarHBondContact O-N 3.43Å; R626-E629 PolarHBondContact O-N 3.25Å; E629-L631 VanDerWaalsContact C-N 3.35Å; E629-A632 WeakPolarHBondContact O-CB 3.26Å; E629-A632 PolarHBondContact O-N 3.1Å; E629-Q633 WeakPolarHBondContact O-CG 3.44Å; E629-Q633 PolarHBondContact O-N 3.4Å; E629-V661 HydrophobicContact CG-CG2 3.93Å |
| 630 | E | 93.6 | Very high | 91.7 | Very high | 100 Ų | 100 | 47 Ų | 47 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 171.5 | -73.6 | 168.4 | -174.8 | 0 | 0 | 111.4 | R626 A632 Q633 N634 | R626-E630 WeakPolarHBondContact CG-OE1 3.36Å; R626-E630 WeakPolarHBondContact O-CB 3.2Å; R626-E630 WeakPolarHBondContact O-CG 3.45Å; R626-E630 PolarHBondContact O-N 2.96Å; E630-A632 VanDerWaalsContact C-N 3.32Å; E630-A632 PolarHBondContact O-N 3.22Å; E630-Q633 PolarHBondContact O-N 2.92Å; E630-N634 WeakPolarHBondContact O-CB 3.33Å; E630-N634 VanDerWaalsContact O-CG 3.23Å; E630-N634 PolarHBondContact O-N 2.93Å; E630-N634 PolarHBondContact O-ND2 3.01Å |
| 631 | L | 94.2 | Very high | 91.4 | Very high | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 173 | 176.5 | 65.1 | 0 | 0 | 0 | 111.1 | R627 L628 E629 N634 W635 M647 L900 Q903 V904 I907 | R627-L631 VanDerWaalsContact O-CB 3.24Å; R627-L631 WeakPolarHBondContact O-CB 3.1Å; R627-L631 PolarHBondContact O-N 3.17Å; L628-L631 WeakPolarHBondContact O-CB 3.39Å; L628-L631 PolarHBondContact O-N 3.28Å; E629-L631 VanDerWaalsContact C-N 3.35Å; L631-N634 PolarHBondContact O-N 2.79Å; L631-W635 WeakPolarHBondContact O-CB 3.27Å; L631-W635 VanDerWaalsContact O-CD1 3.25Å; L631-W635 PolarHBondContact O-N 2.76Å; L631-M647 HydrophobicContact CD2-SD 4.25Å; L631-L900 HydrophobicContact CD2-CD2 4.36Å; L631-L900 HydrophobicContact CG-CD2 4.27Å; L631-Q903 HydrophobicContact CD1-CB 4.25Å; L631-Q903 HydrophobicContact CD2-CB 4.18Å; L631-V904 HydrophobicContact CD2-CG2 3.7Å; L631-I907 HydrophobicContact CD2-CD1 4.35Å |
| 632 | A | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L628 E629 E630 N634 W635 K636 L645 M647 V661 V664 | L628-A632 PolarHBondContact O-N 2.96Å; E629-A632 WeakPolarHBondContact O-CB 3.26Å; E629-A632 PolarHBondContact O-N 3.1Å; E630-A632 VanDerWaalsContact C-N 3.32Å; E630-A632 PolarHBondContact O-N 3.22Å; A632-N634 PolarHBondContact O-N 3.29Å; A632-W635 PolarHBondContact O-N 3.19Å; A632-W635 VanDerWaalsContact O-N 3.1Å; A632-K636 PolarHBondContact O-N 3.08Å; A632-K636 VanDerWaalsContact O-N 3.1Å; A632-L645 HydrophobicContact CB-CD1 3.76Å; A632-L645 HydrophobicContact CB-CD2 4.45Å; A632-L645 HydrophobicContact CB-CG 4.47Å; A632-M647 HydrophobicContact CB-CE 3.91Å; A632-V661 HydrophobicContact CB-CG1 4.02Å; A632-V664 WeakPolarHBondContact O-CG2 3.38Å |
| 633 | Q | 92.4 | Very high | 91.6 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 179 | -71.3 | -69.2 | -7.9 | 0 | 0 | 112.1 | E629 E630 W635 K636 V664 D665 | E629-Q633 WeakPolarHBondContact O-CG 3.44Å; E629-Q633 PolarHBondContact O-N 3.4Å; E630-Q633 PolarHBondContact O-N 2.92Å; Q633-W635 VanDerWaalsContact C-N 3.25Å; Q633-W635 PolarHBondContact O-N 3.43Å; Q633-K636 WeakPolarHBondContact O-CB 3.45Å; Q633-K636 PolarHBondContact O-N 3.48Å; Q633-K636 VanDerWaalsContact O-N 3.11Å; Q633-V664 PolarHBondContact NE2-O 3.44Å; Q633-D665 PolarHBondContact NE2-OD1 2.92Å |
| 634 | N | 90.9 | Very high | 91.9 | Very high | 126 Ų | 126 | 55.7 Ų | 55.7 | 67% | 0.674 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.5 | -30.6 | 176.1 | -71.3 | -24.1 | 0 | 0 | 0 | 112.5 | E630 L631 A632 | E630-N634 WeakPolarHBondContact O-CB 3.33Å; E630-N634 VanDerWaalsContact O-CG 3.23Å; E630-N634 PolarHBondContact O-N 2.93Å; E630-N634 PolarHBondContact O-ND2 3.01Å; L631-N634 PolarHBondContact O-N 2.79Å; A632-N634 PolarHBondContact O-N 3.29Å |
| 635 | W | 90.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -78.2 | -17.2 | 175.2 | -91.8 | 83.4 | 0 | 0 | 0 | 114.2 | L631 A632 Q633 G637 R638 L639 L645 P899 L900 Q903 | L631-W635 WeakPolarHBondContact O-CB 3.27Å; L631-W635 VanDerWaalsContact O-CD1 3.25Å; L631-W635 PolarHBondContact O-N 2.76Å; A632-W635 PolarHBondContact O-N 3.19Å; A632-W635 VanDerWaalsContact O-N 3.1Å; Q633-W635 VanDerWaalsContact C-N 3.25Å; Q633-W635 PolarHBondContact O-N 3.43Å; W635-G637 PolarHBondContact O-N 3.11Å; W635-G637 VanDerWaalsContact O-N 3.13Å; W635-R638 HydrophobicContact CE3-CB 4.03Å; W635-R638 HydrophobicContact CZ3-CB 4.36Å; W635-R638 PolarHBondContact O-N 3.18Å; W635-L639 PolarHBondContact O-N 3.19Å; W635-L645 HydrophobicContact CB-CD2 3.95Å; W635-P899 HydrophobicContact CH2-CB 3.74Å; W635-P899 HydrophobicContact CH2-CG 4.48Å; W635-P899 HydrophobicContact CZ2-CB 3.91Å; W635-L900 HydrophobicContact CB-CD2 4.34Å; W635-L900 VanDerWaalsContact CD1-CD2 3.48Å; W635-L900 HydrophobicContact CD2-CD1 4.41Å; W635-L900 HydrophobicContact CD2-CD2 3.6Å; W635-L900 HydrophobicContact CD2-CG 3.9Å; W635-L900 HydrophobicContact CE3-CD1 4.39Å; W635-L900 HydrophobicContact CE3-CD2 4.36Å; W635-L900 HydrophobicContact CE3-CG 4.22Å; W635-L900 HydrophobicContact CG-CD2 3.57Å; W635-L900 HydrophobicContact CG-CG 4.37Å; W635-L900 HydrophobicContact CH2-CG 4.35Å; W635-L900 HydrophobicContact CZ2-CD2 4.21Å; W635-L900 HydrophobicContact CZ2-CG 4.02Å; W635-L900 HydrophobicContact CZ3-CG 4.43Å; W635-Q903 VanDerWaalsContact NE1-OE1 3.09Å |
| 636 | K | 91.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -42.6 | -178.4 | -173.2 | -179.3 | 178.3 | 177.1 | 0 | 113.2 | A632 Q633 R638 L639 V664 D665 D668 R671 | A632-K636 PolarHBondContact O-N 3.08Å; A632-K636 VanDerWaalsContact O-N 3.1Å; Q633-K636 WeakPolarHBondContact O-CB 3.45Å; Q633-K636 PolarHBondContact O-N 3.48Å; Q633-K636 VanDerWaalsContact O-N 3.11Å; K636-R638 VanDerWaalsContact C-N 3.32Å; K636-R638 PolarHBondContact O-N 2.83Å; K636-L639 PolarHBondContact O-N 3.36Å; K636-V664 HydrophobicContact CB-CG2 3.8Å; K636-V664 HydrophobicContact CG-CG2 4.23Å; K636-D665 HydrophobicContact CD-CB 4.23Å; K636-D665 IonicContact NZ-OD2 2.74Å; K636-D665 PolarHBondContact NZ-OD2 3.35Å; K636-D668 WeakPolarHBondContact CE-OD2 3.44Å; K636-D668 IonicContact NZ-OD2 3.55Å; K636-D668 PolarHBondContact NZ-OD2 3.11Å; K636-R671 PolarHBondContact O-NH2 3.23Å |
| 637 | G | 87.2 | Confident | 92.5 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 79% | 0.794 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | W635 | W635-G637 PolarHBondContact O-N 3.11Å; W635-G637 VanDerWaalsContact O-N 3.13Å |
| 638 | R | 86.9 | Confident | 92.8 | Very high | 177 Ų | 177 | 47.1 Ų | 47.1 | 67% | 0.668 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -17.2 | 177.6 | -60.8 | -179.1 | -177.6 | 176.7 | 0.7 | 112.7 | W635 K636 | W635-R638 HydrophobicContact CE3-CB 4.03Å; W635-R638 HydrophobicContact CZ3-CB 4.36Å; W635-R638 PolarHBondContact O-N 3.18Å; K636-R638 VanDerWaalsContact C-N 3.32Å; K636-R638 PolarHBondContact O-N 2.83Å |
| 639 | L | 88.4 | Confident | 92.9 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -79.3 | 137.9 | 175.2 | -64.8 | 179 | 0 | 0 | 0 | 110.5 | W635 K636 L645 V664 | W635-L639 PolarHBondContact O-N 3.19Å; K636-L639 PolarHBondContact O-N 3.36Å; L639-L645 HydrophobicContact CD1-CB 4.27Å; L639-L645 HydrophobicContact CD1-CD2 4.07Å; L639-L645 HydrophobicContact CD1-CG 4.29Å; L639-V664 HydrophobicContact CD1-CB 4.33Å; L639-V664 HydrophobicContact CD1-CG2 4.02Å |
| 640 | P | 87.7 | Confident | 93 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -51.7 | 156.1 | 171.9 | -27.4 | 37.3 | 0 | 0 | 0 | 112.4 | R642 S643 R671 V888 Q891 | P640-R642 PolarHBondContact O-N 3.44Å; P640-S643 WeakPolarHBondContact O-CB 3.23Å; P640-S643 PolarHBondContact O-N 3.03Å; P640-S643 VanDerWaalsContact O-N 3.12Å; P640-R671 PolarHBondContact O-NH1 2.7Å; P640-V888 HydrophobicContact CB-CG1 4Å; P640-V888 HydrophobicContact CG-CG1 3.77Å; P640-Q891 HydrophobicContact CG-CG 4.14Å |
| 641 | P | 88.4 | Confident | 93.1 | Very high | 102 Ų | 102 | 40.4 Ų | 40.4 | 66% | 0.662 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 137.2 | 179 | -26.4 | 34.6 | 0 | 0 | 0 | 112.4 | S643 R882 | P641-S643 PolarHBondContact O-N 2.79Å; P641-S643 VanDerWaalsContact O-N 3.14Å; P641-R882 PolarHBondContact O-NH1 3.47Å |
| 642 | R | 92.3 | Very high | 93.2 | Very high | 137 Ų | 137 | 40 Ų | 40 | 52% | 0.517 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 0.5 | -178.1 | -49.8 | -174.8 | -178.1 | 173.5 | 1.4 | 116.2 | P640 S670 | P640-R642 PolarHBondContact O-N 3.44Å; R642-S670 WeakPolarHBondContact CB-O 3.32Å; R642-S670 WeakPolarHBondContact CG-O 3.31Å |
| 643 | S | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -75.4 | 158.4 | 170.9 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | P640 P641 R671 G881 | P640-S643 WeakPolarHBondContact O-CB 3.23Å; P640-S643 PolarHBondContact O-N 3.03Å; P640-S643 VanDerWaalsContact O-N 3.12Å; P641-S643 PolarHBondContact O-N 2.79Å; P641-S643 VanDerWaalsContact O-N 3.14Å; S643-R671 VanDerWaalsContact O-CD 3.23Å; S643-R671 WeakPolarHBondContact O-CD 3.39Å; S643-R671 WeakPolarHBondContact O-CG 3.03Å; S643-R671 PolarHBondContact O-NH1 2.91Å; S643-G881 CarbonylContact C-O 3.47Å; S643-G881 VanDerWaalsContact CA-O 3.3Å; S643-G881 WeakPolarHBondContact CA-O 3.43Å; S643-G881 WeakPolarHBondContact CB-O 3.42Å | ||
| 644 | S | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | -178 | 173.3 | -165.7 | 0 | 0 | 0 | 0 | 109.4 | S663 V664 G881 | S644-S663 PolarHBondContact OG-OG 2.85Å; S644-V664 PolarHBondContact OG-N 2.89Å; S644-G881 PolarHBondContact N-O 3.49Å; S644-G881 PolarHBondContact O-N 2.91Å |
| 645 | L | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 158 | 172 | 66.5 | 77.8 | 0 | 0 | 0 | 110.3 | A632 W635 L639 M647 V661 S663 V664 W879 T880 L900 | A632-L645 HydrophobicContact CB-CD1 3.76Å; A632-L645 HydrophobicContact CB-CD2 4.45Å; A632-L645 HydrophobicContact CB-CG 4.47Å; W635-L645 HydrophobicContact CB-CD2 3.95Å; L639-L645 HydrophobicContact CD1-CB 4.27Å; L639-L645 HydrophobicContact CD1-CD2 4.07Å; L639-L645 HydrophobicContact CD1-CG 4.29Å; L645-M647 HydrophobicContact CD1-CE 3.87Å; L645-M647 HydrophobicContact CD1-CG 4.02Å; L645-M647 HydrophobicContact CD1-SD 4.33Å; L645-V661 HydrophobicContact CD1-CG1 4.29Å; L645-S663 CarbonylContact O-C 3.6Å; L645-S663 WeakPolarHBondContact O-CA 3.47Å; L645-V664 HydrophobicContact CD2-CG2 4.25Å; L645-V664 HydrophobicContact CG-CB 4.1Å; L645-V664 HydrophobicContact CG-CG2 4.18Å; L645-V664 PolarHBondContact O-N 2.78Å; L645-W879 CarbonylContact C-O 3.55Å; L645-W879 WeakPolarHBondContact CA-O 3.45Å; L645-T880 HydrophobicContact CB-CG2 3.95Å; L645-L900 HydrophobicContact CB-CD1 4.43Å; L645-L900 HydrophobicContact CD2-CD1 3.77Å; L645-L900 HydrophobicContact CD2-CD2 4.2Å |
| 646 | A | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V661 M677 V678 L789 I878 W879 | A646-V661 CarbonylContact C-O 3.21Å; A646-V661 WeakPolarHBondContact CA-O 3.44Å; A646-V661 WeakPolarHBondContact CB-O 3.5Å; A646-M677 HydrophobicContact CB-CB 3.62Å; A646-V678 HydrophobicContact CB-CG2 3.88Å; A646-L789 HydrophobicContact CB-CD2 4.07Å; A646-I878 WeakPolarHBondContact O-CA 2.87Å; A646-W879 HydrophobicContact CB-CB 4.44Å; A646-W879 HydrophobicContact CB-CE3 4.33Å; A646-W879 PolarHBondContact N-O 3.3Å; A646-W879 PolarHBondContact O-N 2.99Å |
| 647 | M | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 136.2 | -179.8 | -52.8 | -174.2 | -81.4 | 0 | 0 | 110.2 | L628 L631 A632 L645 V661 G877 I878 V904 | L628-M647 HydrophobicContact CB-CE 4.24Å; L628-M647 WeakPolarHBondContact O-CE 3.29Å; L631-M647 HydrophobicContact CD2-SD 4.25Å; A632-M647 HydrophobicContact CB-CE 3.91Å; L645-M647 HydrophobicContact CD1-CE 3.87Å; L645-M647 HydrophobicContact CD1-CG 4.02Å; L645-M647 HydrophobicContact CD1-SD 4.33Å; M647-V661 HydrophobicContact CB-CB 4.15Å; M647-V661 HydrophobicContact CE-CB 4.05Å; M647-V661 HydrophobicContact CE-CG1 4.13Å; M647-V661 HydrophobicContact CE-CG2 3.93Å; M647-V661 PolarHBondContact N-O 2.88Å; M647-V661 PolarHBondContact O-N 2.82Å; M647-G877 CarbonylContact C-O 3.54Å; M647-G877 VanDerWaalsContact CA-O 3.26Å; M647-G877 WeakPolarHBondContact CA-O 3.37Å; M647-I878 HydrophobicContact CB-CD1 3.92Å; M647-I878 HydrophobicContact CG-CD1 3.52Å; M647-I878 HydrophobicContact SD-CD1 3.91Å; M647-V904 HydrophobicContact SD-CG2 3.78Å |
| 648 | I | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.5 | 169.4 | -170.7 | 175.1 | 0 | 0 | 0 | 109.1 | V650 V657 G659 W660 V678 L789 E790 A793 L808 I876 G877 | I648-V650 HydrophobicContact CD1-CG2 4.2Å; I648-V650 HydrophobicContact CG1-CG2 4.14Å; I648-V657 HydrophobicContact CD1-CG1 4.32Å; I648-V657 HydrophobicContact CG1-CG1 4.01Å; I648-G659 WeakPolarHBondContact CA-O 3.5Å; I648-W660 HydrophobicContact CD1-CE3 3.94Å; I648-W660 HydrophobicContact CD1-CZ3 3.83Å; I648-W660 HydrophobicContact CG1-CE3 4.3Å; I648-V678 HydrophobicContact CB-CG1 4.22Å; I648-V678 HydrophobicContact CD1-CG1 4.04Å; I648-L789 HydrophobicContact CG2-CD1 4.42Å; I648-L789 HydrophobicContact CG2-CD2 4.23Å; I648-L789 HydrophobicContact CG2-CG 3.87Å; I648-E790 HydrophobicContact CD1-CB 4.18Å; I648-A793 HydrophobicContact CG2-CB 3.68Å; I648-L808 HydrophobicContact CD1-CD1 3.9Å; I648-I876 WeakPolarHBondContact O-CA 3.21Å; I648-G877 PolarHBondContact N-O 2.87Å; I648-G877 PolarHBondContact O-N 3.48Å |
| 649 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.7 | 175 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | L624 L628 R658 G659 Y874 V875 I876 V904 L908 | L624-V649 HydrophobicContact CD2-CG1 4.35Å; L628-V649 HydrophobicContact CD1-CG2 3.96Å; V649-R658 HydrophobicContact CG1-CB 4.42Å; V649-R658 PolarHBondContact O-N 2.77Å; V649-G659 PolarHBondContact N-O 3.36Å; V649-G659 PolarHBondContact O-N 2.96Å; V649-Y874 HydrophobicContact CG1-CD1 3.85Å; V649-Y874 HydrophobicContact CG1-CG 4.18Å; V649-V875 WeakPolarHBondContact CA-O 3.27Å; V649-I876 HydrophobicContact CG2-CG2 4.48Å; V649-V904 HydrophobicContact CG2-CG1 3.82Å; V649-L908 HydrophobicContact CG1-CD1 3.69Å; V649-L908 HydrophobicContact CG1-CD2 3.89Å; V649-L908 HydrophobicContact CG1-CG 4.45Å; V649-L908 HydrophobicContact CG2-CD1 4.27Å |
| 650 | V | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.1 | -178.5 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | I648 H652 V657 A793 T797 L808 Y874 V875 | I648-V650 HydrophobicContact CD1-CG2 4.2Å; I648-V650 HydrophobicContact CG1-CG2 4.14Å; V650-H652 PolarHBondContact O-N 3.39Å; V650-V657 HydrophobicContact CG2-CG2 4.43Å; V650-A793 HydrophobicContact CG2-CB 4.28Å; V650-T797 HydrophobicContact CG1-CG2 4.42Å; V650-L808 HydrophobicContact CB-CD2 4.33Å; V650-L808 HydrophobicContact CG1-CD2 3.63Å; V650-L808 HydrophobicContact CG2-CD2 3.73Å; V650-Y874 CarbonylContact O-C 3.11Å; V650-Y874 WeakPolarHBondContact O-CA 3.42Å; V650-V875 HydrophobicContact CB-CB 4.47Å; V650-V875 PolarHBondContact N-O 2.94Å; V650-V875 PolarHBondContact O-N 2.81Å |
| 651 | D | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 108.6 | 165.4 | -169.9 | -31.1 | 0 | 0 | 0 | 107.2 | T653 M655 R656 R658 R873 Y874 | D651-T653 PolarHBondContact O-N 2.99Å; D651-T653 WeakPolarHBondContact OD1-CB 3.42Å; D651-T653 PolarHBondContact OD1-N 3.12Å; D651-T653 PolarHBondContact OD1-OG1 2.88Å; D651-M655 WeakPolarHBondContact O-CA 3.44Å; D651-M655 PolarHBondContact O-N 2.94Å; D651-R656 PolarHBondContact N-O 3.22Å; D651-R656 PolarHBondContact O-N 3.26Å; D651-R658 HydrophobicContact CB-CG 4.06Å; D651-R873 IonicContact OD1-NE 2.93Å; D651-R873 IonicContact OD2-CZ 2.62Å; D651-R873 VanDerWaalsContact OD2-CZ 3.29Å; D651-R873 IonicContact OD2-NE 2.94Å; D651-R873 PolarHBondContact OD2-NE 3.19Å; D651-R873 IonicContact OD2-NH2 2.7Å; D651-R873 PolarHBondContact OD2-NH2 3Å; D651-Y874 HydrophobicContact CB-CD1 4.06Å; D651-Y874 HydrophobicContact CB-CE1 3.88Å |
| 652 | H | 95.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 16.3 Ų | 16.3 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.6 | -173.5 | 75.5 | 67.6 | 0 | 0 | 0 | 111.2 | V650 D654 T797 A800 R801 A872 R873 V875 | V650-H652 PolarHBondContact O-N 3.39Å; H652-D654 PolarHBondContact O-N 2.74Å; H652-T797 HydrophobicContact CB-CG2 4.12Å; H652-A800 HydrophobicContact CB-CB 4.4Å; H652-R801 HydrophobicContact CB-CG 4.45Å; H652-R801 WeakPolarHBondContact O-CD 3.37Å; H652-R801 WeakPolarHBondContact O-CG 2.94Å; H652-R801 PolarHBondContact O-NH1 2.9Å; H652-A872 PolarHBondContact NE2-O 2.69Å; H652-R873 PolarHBondContact CD2-O 3.01Å; H652-R873 PolarHBondContact N-O 3.47Å; H652-R873 WeakPolarHBondContact NE2-CA 3.22Å; H652-R873 PolarHBondContact NE2-O 2.77Å; H652-V875 HydrophobicContact CB-CG2 4.16Å |
| 653 | T | 92.9 | Very high | 96.4 | Very high | 56 Ų | 56 | 10.3 Ų | 10.3 | 34% | 0.344 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -33.2 | -175 | 64.8 | 0 | 0 | 0 | 0 | 113 | D651 R801 R873 P916 | D651-T653 PolarHBondContact O-N 2.99Å; D651-T653 WeakPolarHBondContact OD1-CB 3.42Å; D651-T653 PolarHBondContact OD1-N 3.12Å; D651-T653 PolarHBondContact OD1-OG1 2.88Å; T653-R801 PolarHBondContact O-NH1 3.37Å; T653-R873 HydrophobicContact CG2-CG 4.4Å; T653-P916 HydrophobicContact CG2-CG 3.79Å |
| 654 | D | 93.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 10.5 Ų | 10.5 | 14% | 0.139 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 4.3 | 179.6 | 70.1 | 3.2 | 0 | 0 | 0 | 113.8 | H652 R656 R809 | H652-D654 PolarHBondContact O-N 2.74Å; D654-R656 VanDerWaalsContact C-N 3.25Å; D654-R656 PolarHBondContact O-N 2.77Å; D654-R656 VanDerWaalsContact OD1-CB 3.24Å; D654-R656 WeakPolarHBondContact OD1-CB 3.42Å; D654-R656 VanDerWaalsContact OD1-CG 3.29Å; D654-R656 WeakPolarHBondContact OD1-CG 3.15Å; D654-R656 PolarHBondContact OD1-N 2.88Å; D654-R656 WeakPolarHBondContact OD2-CD 3.38Å; D654-R656 WeakPolarHBondContact OD2-CG 3.13Å; D654-R656 IonicContact OD2-CZ 3.66Å; D654-R656 IonicContact OD2-NE 2.96Å; D654-R656 PolarHBondContact OD2-NE 2.88Å; D654-R656 IonicContact OD2-NH1 3.51Å; D654-R656 PolarHBondContact OD2-NH1 2.85Å; D654-R809 WeakPolarHBondContact O-CD 3.4Å; D654-R809 PolarHBondContact O-NH1 3.32Å |
| 655 | M | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | 66 | 14.2 | -179 | -57.4 | -64.8 | -55.2 | 0 | 0 | 115.3 | D651 T797 R801 G806 L808 R809 L816 | D651-M655 WeakPolarHBondContact O-CA 3.44Å; D651-M655 PolarHBondContact O-N 2.94Å; M655-T797 HydrophobicContact CE-CG2 3.65Å; M655-T797 HydrophobicContact SD-CG2 3.76Å; M655-R801 VanDerWaalsContact SD-CD 3.53Å; M655-G806 WeakPolarHBondContact CE-O 3.42Å; M655-L808 HydrophobicContact CE-CD2 3.9Å; M655-R809 HydrophobicContact CB-CG 4.45Å; M655-R809 PolarHBondContact O-N 3.34Å; M655-L816 HydrophobicContact CB-CD1 3.9Å; M655-L816 HydrophobicContact CG-CD1 3.37Å | ||
| 656 | R | 96.4 | Very high | 96.1 | Very high | 68 Ų | 68 | 13.1 Ų | 13.1 | 26% | 0.257 | 7% | 0.066 | S | C | . | . | B | Isolated β-bridge | trans | -71.7 | 132.5 | 177.5 | -71.8 | -176.2 | 177.8 | 138.5 | -11.9 | 111.6 | T619 D651 D654 R809 | T619-R656 HydrophobicContact CG2-CB 4.08Å; T619-R656 HydrophobicContact CG2-CG 3.74Å; D651-R656 PolarHBondContact N-O 3.22Å; D651-R656 PolarHBondContact O-N 3.26Å; D654-R656 VanDerWaalsContact C-N 3.25Å; D654-R656 PolarHBondContact O-N 2.77Å; D654-R656 VanDerWaalsContact OD1-CB 3.24Å; D654-R656 WeakPolarHBondContact OD1-CB 3.42Å; D654-R656 VanDerWaalsContact OD1-CG 3.29Å; D654-R656 WeakPolarHBondContact OD1-CG 3.15Å; D654-R656 PolarHBondContact OD1-N 2.88Å; D654-R656 WeakPolarHBondContact OD2-CD 3.38Å; D654-R656 WeakPolarHBondContact OD2-CG 3.13Å; D654-R656 IonicContact OD2-CZ 3.66Å; D654-R656 IonicContact OD2-NE 2.96Å; D654-R656 PolarHBondContact OD2-NE 2.88Å; D654-R656 IonicContact OD2-NH1 3.51Å; D654-R656 PolarHBondContact OD2-NH1 2.85Å; R656-R809 WeakPolarHBondContact CA-O 3.33Å; R656-R809 HydrophobicContact CG-CB 4.3Å |
| 657 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125.1 | 169.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | T619 L620 I648 V650 W660 L808 R809 L810 | T619-V657 CarbonylContact C-O 3.44Å; T619-V657 WeakPolarHBondContact CB-O 3.33Å; T619-V657 PolarHBondContact OG1-N 2.6Å; T619-V657 PolarHBondContact OG1-O 2.89Å; L620-V657 HydrophobicContact CD2-CB 4.46Å; L620-V657 HydrophobicContact CD2-CG1 3.87Å; L620-V657 PolarHBondContact N-O 2.84Å; I648-V657 HydrophobicContact CD1-CG1 4.32Å; I648-V657 HydrophobicContact CG1-CG1 4.01Å; V650-V657 HydrophobicContact CG2-CG2 4.43Å; V657-W660 HydrophobicContact CG1-CE3 4.11Å; V657-L808 HydrophobicContact CG2-CB 3.89Å; V657-L808 HydrophobicContact CG2-CD1 3.98Å; V657-L808 HydrophobicContact CG2-CD2 4.38Å; V657-L808 HydrophobicContact CG2-CG 4.31Å; V657-R809 PolarHBondContact N-O 2.83Å; V657-L810 HydrophobicContact CB-CD2 4.13Å; V657-L810 HydrophobicContact CG2-CD2 3.52Å |
| 658 | R | 95.8 | Very high | 95.4 | Very high | 38 Ų | 38 | 20.6 Ų | 20.6 | 14% | 0.143 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -23.4 | -176 | -58.8 | -58.9 | -63.2 | -84.4 | -4.8 | 113.5 | T619 D621 L624 V649 D651 Y874 | T619-R658 WeakPolarHBondContact O-CD 3.47Å; D621-R658 PolarHBondContact N-O 3.27Å; D621-R658 IonicContact OD2-NH2 3.53Å; D621-R658 PolarHBondContact OD2-NH2 3.47Å; L624-R658 HydrophobicContact CD2-CB 3.93Å; V649-R658 HydrophobicContact CG1-CB 4.42Å; V649-R658 PolarHBondContact O-N 2.77Å; D651-R658 HydrophobicContact CB-CG 4.06Å; R658-Y874 HydrophobicContact CG-CE1 4.13Å |
| 659 | G | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | I648 V649 | I648-G659 WeakPolarHBondContact CA-O 3.5Å; V649-G659 PolarHBondContact N-O 3.36Å; V649-G659 PolarHBondContact O-N 2.96Å |
| 660 | W | 97.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 105.2 | -179.8 | -170.6 | -62.8 | 0 | 0 | 0 | 111.7 | F603 M606 L620 Q625 I648 V657 D676 V678 N679 E790 L810 | F603-W660 HydrophobicContact CB-CB 4.07Å; F603-W660 HydrophobicContact CB-CD2 4.28Å; F603-W660 HydrophobicContact CB-CG 3.76Å; F603-W660 HydrophobicContact CD2-CB 4Å; F603-W660 AromaticContact CD2-CD2 3.49Å; F603-W660 HydrophobicContact CD2-CD2 3.49Å; F603-W660 VanDerWaalsContact CD2-CD2 3.49Å; F603-W660 AromaticContact CD2-CE3 3.54Å; F603-W660 HydrophobicContact CD2-CE3 3.54Å; F603-W660 AromaticContact CD2-CG 3.7Å; F603-W660 HydrophobicContact CD2-CG 3.7Å; F603-W660 HydrophobicContact CD2-CZ3 4.22Å; F603-W660 HydrophobicContact CE2-CD2 4.28Å; F603-W660 AromaticContact CE2-CE3 3.86Å; F603-W660 HydrophobicContact CE2-CE3 3.86Å; F603-W660 HydrophobicContact CE2-CZ3 4.35Å; F603-W660 HydrophobicContact CG-CB 4.18Å; F603-W660 HydrophobicContact CG-CD2 4.31Å; F603-W660 HydrophobicContact CG-CG 4.08Å; M606-W660 HydrophobicContact CE-CH2 4.14Å; M606-W660 HydrophobicContact CE-CZ2 4.41Å; M606-W660 HydrophobicContact CE-CZ3 4.36Å; M606-W660 HydrophobicContact SD-CH2 4.07Å; M606-W660 HydrophobicContact SD-CZ2 4.21Å; L620-W660 HydrophobicContact CD1-CB 4.27Å; L620-W660 HydrophobicContact CD2-CB 4.11Å; Q625-W660 PolarHBondContact NE2-O 3.42Å; I648-W660 HydrophobicContact CD1-CE3 3.94Å; I648-W660 HydrophobicContact CD1-CZ3 3.83Å; I648-W660 HydrophobicContact CG1-CE3 4.3Å; V657-W660 HydrophobicContact CG1-CE3 4.11Å; W660-D676 PolarHBondContact NE1-OD1 2.91Å; W660-D676 PolarHBondContact NE1-OD2 3.24Å; W660-V678 HydrophobicContact CD2-CB 4.39Å; W660-V678 HydrophobicContact CD2-CG1 4.08Å; W660-V678 HydrophobicContact CD2-CG2 4.42Å; W660-V678 HydrophobicContact CE3-CG1 4.28Å; W660-V678 HydrophobicContact CH2-CB 4.28Å; W660-V678 HydrophobicContact CH2-CG1 3.53Å; W660-V678 HydrophobicContact CZ2-CB 3.5Å; W660-V678 HydrophobicContact CZ2-CG1 3.26Å; W660-V678 HydrophobicContact CZ2-CG2 4.36Å; W660-V678 HydrophobicContact CZ3-CG1 4.04Å; W660-N679 WeakPolarHBondContact CZ2-ND2 3.38Å; W660-E790 HydrophobicContact CH2-CB 4.04Å; W660-E790 HydrophobicContact CH2-CG 4.5Å; W660-E790 HydrophobicContact CZ3-CB 4.4Å; W660-L810 HydrophobicContact CZ3-CD2 4.35Å |
| 661 | V | 97.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.1 | 173.8 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | L628 E629 A632 L645 A646 M647 S663 V678 | L628-V661 HydrophobicContact CB-CG2 3.76Å; E629-V661 HydrophobicContact CG-CG2 3.93Å; A632-V661 HydrophobicContact CB-CG1 4.02Å; L645-V661 HydrophobicContact CD1-CG1 4.29Å; A646-V661 CarbonylContact C-O 3.21Å; A646-V661 WeakPolarHBondContact CA-O 3.44Å; A646-V661 WeakPolarHBondContact CB-O 3.5Å; M647-V661 HydrophobicContact CB-CB 4.15Å; M647-V661 HydrophobicContact CE-CB 4.05Å; M647-V661 HydrophobicContact CE-CG1 4.13Å; M647-V661 HydrophobicContact CE-CG2 3.93Å; M647-V661 PolarHBondContact N-O 2.88Å; M647-V661 PolarHBondContact O-N 2.82Å; V661-S663 VanDerWaalsContact CG1-O 3.26Å; V661-S663 WeakPolarHBondContact CG1-O 3.24Å; V661-V678 WeakPolarHBondContact O-CG2 3.41Å |
| 662 | G | 96.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | -87.5 | -16.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D676 M677 | G662-D676 WeakPolarHBondContact CA-OD1 3.45Å; G662-M677 WeakPolarHBondContact O-CB 3.28Å; G662-M677 PolarHBondContact O-N 2.89Å | ||
| 663 | S | 96.5 | Very high | 94.5 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | trans | -158.8 | 159 | -180 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | S644 L645 V661 G673 | S644-S663 PolarHBondContact OG-OG 2.85Å; L645-S663 CarbonylContact O-C 3.6Å; L645-S663 WeakPolarHBondContact O-CA 3.47Å; V661-S663 VanDerWaalsContact CG1-O 3.26Å; V661-S663 WeakPolarHBondContact CG1-O 3.24Å; S663-G673 VanDerWaalsContact CB-O 3.32Å; S663-G673 WeakPolarHBondContact CB-O 3.44Å; S663-G673 WeakPolarHBondContact OG-CA 3.45Å; S663-G673 PolarHBondContact OG-O 2.95Å | ||
| 664 | V | 93.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -64.1 | -39.2 | 176.9 | 72.5 | 0 | 0 | 0 | 0 | 113 | A632 Q633 K636 L639 S644 L645 | A632-V664 WeakPolarHBondContact O-CG2 3.38Å; Q633-V664 PolarHBondContact NE2-O 3.44Å; K636-V664 HydrophobicContact CB-CG2 3.8Å; K636-V664 HydrophobicContact CG-CG2 4.23Å; L639-V664 HydrophobicContact CD1-CB 4.33Å; L639-V664 HydrophobicContact CD1-CG2 4.02Å; S644-V664 PolarHBondContact OG-N 2.89Å; L645-V664 HydrophobicContact CD2-CG2 4.25Å; L645-V664 HydrophobicContact CG-CB 4.1Å; L645-V664 HydrophobicContact CG-CG2 4.18Å; L645-V664 PolarHBondContact O-N 2.78Å |
| 665 | D | 92.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | trans | -153.2 | 122.2 | -178 | -175.3 | 2.5 | 0 | 0 | 0 | 109.2 | Q633 K636 N667 D668 G673 | Q633-D665 PolarHBondContact NE2-OD1 2.92Å; K636-D665 HydrophobicContact CD-CB 4.23Å; K636-D665 IonicContact NZ-OD2 2.74Å; K636-D665 PolarHBondContact NZ-OD2 3.35Å; D665-N667 PolarHBondContact O-N 2.85Å; D665-N667 PolarHBondContact OD1-N 2.96Å; D665-D668 HydrophobicContact CB-CB 4.04Å; D665-G673 WeakPolarHBondContact O-CA 3.41Å | ||
| 666 | L | 90.4 | Very high | 94.6 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 20% | 0.199 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -28 | 178.7 | -172.8 | 75.1 | 0 | 0 | 0 | 111.7 | W398 P601 L602 H674 | W398-L666 HydrophobicContact CH2-CD2 4.02Å; P601-L666 HydrophobicContact CB-CD1 4.19Å; P601-L666 HydrophobicContact CB-CD2 3.62Å; P601-L666 HydrophobicContact CB-CG 4.47Å; P601-L666 HydrophobicContact CG-CB 4.38Å; P601-L666 HydrophobicContact CG-CD1 4.15Å; P601-L666 HydrophobicContact CG-CD2 3.8Å; P601-L666 HydrophobicContact CG-CG 4.33Å; L602-L666 HydrophobicContact CD2-CD1 3.78Å; L602-L666 HydrophobicContact CG-CD1 4.01Å; L666-H674 PolarHBondContact O-CE1 2.83Å; L666-H674 VanDerWaalsContact O-CE1 3.27Å |
| 667 | N | 90.9 | Very high | 94.6 | Very high | 130 Ų | 130 | 35.1 Ų | 35.1 | 70% | 0.695 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.2 | -172 | -58.3 | -49 | 0 | 0 | 0 | 113.4 | D665 | D665-N667 PolarHBondContact O-N 2.85Å; D665-N667 PolarHBondContact OD1-N 2.96Å |
| 668 | D | 91.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | trans | -103.3 | 90 | 180 | -166.8 | -22.7 | 0 | 0 | 0 | 111.2 | K636 D665 S670 R671 F672 G673 | K636-D668 WeakPolarHBondContact CE-OD2 3.44Å; K636-D668 IonicContact NZ-OD2 3.55Å; K636-D668 PolarHBondContact NZ-OD2 3.11Å; D665-D668 HydrophobicContact CB-CB 4.04Å; D668-S670 PolarHBondContact O-N 3.33Å; D668-S670 WeakPolarHBondContact OD1-CB 3.41Å; D668-S670 PolarHBondContact OD1-N 3.48Å; D668-S670 VanDerWaalsContact OD1-N 3.12Å; D668-S670 PolarHBondContact OD1-OG 2.91Å; D668-R671 HydrophobicContact CB-CB 4.35Å; D668-R671 PolarHBondContact O-N 2.86Å; D668-R671 VanDerWaalsContact O-N 3.09Å; D668-R671 PolarHBondContact OD1-N 2.77Å; D668-R671 VanDerWaalsContact OD2-CD 3.29Å; D668-R671 WeakPolarHBondContact OD2-CD 3.45Å; D668-R671 IonicContact OD2-NE 2.83Å; D668-R671 PolarHBondContact OD2-NE 3.19Å; D668-F672 PolarHBondContact O-N 2.71Å; D668-G673 PolarHBondContact O-N 2.82Å; D668-G673 VanDerWaalsContact O-N 3.08Å | ||
| 669 | D | 92.6 | Very high | 94.6 | Very high | 116 Ų | 116 | 34.9 Ų | 34.9 | 62% | 0.62 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -58.5 | -30.5 | 177.5 | -74 | -23.9 | 0 | 0 | 0 | 112.5 | R671 F672 H674 | D669-R671 PolarHBondContact O-N 2.74Å; D669-F672 PolarHBondContact O-N 2.83Å; D669-H674 IonicContact OD1-CD2 3.07Å; D669-H674 IonicContact OD1-NE2 3.79Å |
| 670 | S | 93 | Very high | 94.6 | Very high | 66 Ų | 66 | 35.7 Ų | 35.7 | 46% | 0.462 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -67.6 | -22.2 | 179.9 | 83.9 | 0 | 0 | 0 | 0 | 113 | R642 D668 | R642-S670 WeakPolarHBondContact CB-O 3.32Å; R642-S670 WeakPolarHBondContact CG-O 3.31Å; D668-S670 PolarHBondContact O-N 3.33Å; D668-S670 WeakPolarHBondContact OD1-CB 3.41Å; D668-S670 PolarHBondContact OD1-N 3.48Å; D668-S670 VanDerWaalsContact OD1-N 3.12Å; D668-S670 PolarHBondContact OD1-OG 2.91Å |
| 671 | R | 93.5 | Very high | 94.5 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -102.5 | 11.5 | 175 | -64.5 | 178.5 | -177.2 | -88.7 | 5.9 | 111.9 | K636 P640 S643 D668 D669 G673 P883 | K636-R671 PolarHBondContact O-NH2 3.23Å; P640-R671 PolarHBondContact O-NH1 2.7Å; S643-R671 VanDerWaalsContact O-CD 3.23Å; S643-R671 WeakPolarHBondContact O-CD 3.39Å; S643-R671 WeakPolarHBondContact O-CG 3.03Å; S643-R671 PolarHBondContact O-NH1 2.91Å; D668-R671 HydrophobicContact CB-CB 4.35Å; D668-R671 PolarHBondContact O-N 2.86Å; D668-R671 VanDerWaalsContact O-N 3.09Å; D668-R671 PolarHBondContact OD1-N 2.77Å; D668-R671 VanDerWaalsContact OD2-CD 3.29Å; D668-R671 WeakPolarHBondContact OD2-CD 3.45Å; D668-R671 IonicContact OD2-NE 2.83Å; D668-R671 PolarHBondContact OD2-NE 3.19Å; D669-R671 PolarHBondContact O-N 2.74Å; R671-G673 VanDerWaalsContact C-N 3.32Å; R671-G673 PolarHBondContact O-N 2.8Å; R671-P883 WeakPolarHBondContact O-CG 3.42Å |
| 672 | F | 93.7 | Very high | 94.4 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.9 | -174.6 | -60.3 | -87 | 0 | 0 | 0 | 112.2 | D668 D669 H674 V675 P883 D884 | D668-F672 PolarHBondContact O-N 2.71Å; D669-F672 PolarHBondContact O-N 2.83Å; F672-H674 PolarHBondContact O-N 3.5Å; F672-V675 HydrophobicContact CB-CB 4.42Å; F672-V675 HydrophobicContact CB-CG2 3.9Å; F672-V675 PolarHBondContact O-N 3.37Å; F672-P883 HydrophobicContact CB-CB 3.83Å; F672-P883 HydrophobicContact CB-CG 4.2Å; F672-P883 HydrophobicContact CD2-CB 4.1Å; F672-P883 HydrophobicContact CG-CB 4.24Å; F672-D884 HydrophobicContact CE2-CB 3.89Å; F672-D884 HydrophobicContact CZ-CB 4.3Å |
| 673 | G | 92.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -26.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S663 D665 D668 R671 | S663-G673 VanDerWaalsContact CB-O 3.32Å; S663-G673 WeakPolarHBondContact CB-O 3.44Å; S663-G673 WeakPolarHBondContact OG-CA 3.45Å; S663-G673 PolarHBondContact OG-O 2.95Å; D665-G673 WeakPolarHBondContact O-CA 3.41Å; D668-G673 PolarHBondContact O-N 2.82Å; D668-G673 VanDerWaalsContact O-N 3.08Å; R671-G673 VanDerWaalsContact C-N 3.32Å; R671-G673 PolarHBondContact O-N 2.8Å |
| 674 | H | 93.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 41.8 Ų | 41.8 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7.6 | 179.3 | -57.8 | -50.3 | 0 | 0 | 0 | 115.5 | L602 R605 L666 D669 F672 | L602-H674 WeakPolarHBondContact CD2-O 3.32Å; R605-H674 PolarHBondContact NH2-O 2.79Å; L666-H674 PolarHBondContact O-CE1 2.83Å; L666-H674 VanDerWaalsContact O-CE1 3.27Å; D669-H674 IonicContact OD1-CD2 3.07Å; D669-H674 IonicContact OD1-NE2 3.79Å; F672-H674 PolarHBondContact O-N 3.5Å |
| 675 | V | 95.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -85.4 | 118.3 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 109 | F672 M677 | F672-V675 HydrophobicContact CB-CB 4.42Å; F672-V675 HydrophobicContact CB-CG2 3.9Å; F672-V675 PolarHBondContact O-N 3.37Å; V675-M677 HydrophobicContact CG1-SD 3.75Å; V675-M677 PolarHBondContact O-N 3Å; V675-M677 VanDerWaalsContact O-N 3.14Å |
| 676 | D | 96.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -78.5 | 97.8 | 176.5 | -175.5 | 5.4 | 0 | 0 | 0 | 110.8 | L602 W660 G662 V678 N679 A680 | L602-D676 HydrophobicContact CB-CB 4.12Å; L602-D676 HydrophobicContact CD1-CB 4.27Å; W660-D676 PolarHBondContact NE1-OD1 2.91Å; W660-D676 PolarHBondContact NE1-OD2 3.24Å; G662-D676 WeakPolarHBondContact CA-OD1 3.45Å; D676-V678 PolarHBondContact O-N 3.21Å; D676-V678 WeakPolarHBondContact OD1-CB 3.46Å; D676-V678 PolarHBondContact OD1-N 2.84Å; D676-V678 VanDerWaalsContact OD1-N 3.14Å; D676-N679 HydrophobicContact CB-CB 4.4Å; D676-N679 PolarHBondContact O-N 3.4Å; D676-N679 VanDerWaalsContact O-N 3.11Å; D676-N679 PolarHBondContact OD2-ND2 3.48Å; D676-A680 PolarHBondContact O-N 3.03Å | ||
| 677 | M | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -11.2 | -177.7 | -67.8 | -57.7 | -52.4 | 0 | 0 | 113.6 | A646 G662 V675 N679 A680 R682 W879 P883 | A646-M677 HydrophobicContact CB-CB 3.62Å; G662-M677 WeakPolarHBondContact O-CB 3.28Å; G662-M677 PolarHBondContact O-N 2.89Å; V675-M677 HydrophobicContact CG1-SD 3.75Å; V675-M677 PolarHBondContact O-N 3Å; V675-M677 VanDerWaalsContact O-N 3.14Å; M677-N679 VanDerWaalsContact C-N 3.34Å; M677-A680 HydrophobicContact CE-CB 3.89Å; M677-A680 HydrophobicContact SD-CB 3.77Å; M677-R682 HydrophobicContact CE-CG 3.67Å; M677-W879 HydrophobicContact CB-CD2 4.44Å; M677-W879 HydrophobicContact CB-CE3 3.72Å; M677-W879 HydrophobicContact CB-CZ3 3.82Å; M677-W879 HydrophobicContact CE-CD2 3.81Å; M677-W879 VanDerWaalsContact CE-CE2 3.48Å; M677-W879 HydrophobicContact CE-CE3 3.8Å; M677-W879 HydrophobicContact CE-CH2 3.19Å; M677-W879 HydrophobicContact CE-CZ2 3.18Å; M677-W879 HydrophobicContact CE-CZ3 3.52Å; M677-W879 HydrophobicContact CG-CE3 4Å; M677-W879 HydrophobicContact CG-CH2 4.01Å; M677-W879 HydrophobicContact CG-CZ3 3.53Å; M677-W879 HydrophobicContact SD-CH2 4.03Å; M677-W879 HydrophobicContact SD-CZ3 4.17Å; M677-P883 HydrophobicContact CG-CG 4.26Å; M677-P883 HydrophobicContact SD-CB 3.87Å; M677-P883 HydrophobicContact SD-CG 4.05Å |
| 678 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -36.7 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | A646 I648 W660 V661 D676 L789 E790 | A646-V678 HydrophobicContact CB-CG2 3.88Å; I648-V678 HydrophobicContact CB-CG1 4.22Å; I648-V678 HydrophobicContact CD1-CG1 4.04Å; W660-V678 HydrophobicContact CD2-CB 4.39Å; W660-V678 HydrophobicContact CD2-CG1 4.08Å; W660-V678 HydrophobicContact CD2-CG2 4.42Å; W660-V678 HydrophobicContact CE3-CG1 4.28Å; W660-V678 HydrophobicContact CH2-CB 4.28Å; W660-V678 HydrophobicContact CH2-CG1 3.53Å; W660-V678 HydrophobicContact CZ2-CB 3.5Å; W660-V678 HydrophobicContact CZ2-CG1 3.26Å; W660-V678 HydrophobicContact CZ2-CG2 4.36Å; W660-V678 HydrophobicContact CZ3-CG1 4.04Å; V661-V678 WeakPolarHBondContact O-CG2 3.41Å; D676-V678 PolarHBondContact O-N 3.21Å; D676-V678 WeakPolarHBondContact OD1-CB 3.46Å; D676-V678 PolarHBondContact OD1-N 2.84Å; D676-V678 VanDerWaalsContact OD1-N 3.14Å; V678-L789 HydrophobicContact CG1-CB 4.39Å; V678-L789 HydrophobicContact CG2-CD2 4.25Å; V678-L789 PolarHBondContact O-N 2.9Å; V678-E790 HydrophobicContact CG1-CB 4.05Å; V678-E790 PolarHBondContact O-N 3.47Å |
| 679 | N | 95.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -12.1 | -178.7 | -80.1 | -36.7 | 0 | 0 | 0 | 114.2 | M606 W660 D676 M677 K788 E790 | M606-N679 PolarHBondContact SD-ND2 2.61Å; W660-N679 WeakPolarHBondContact CZ2-ND2 3.38Å; D676-N679 HydrophobicContact CB-CB 4.4Å; D676-N679 PolarHBondContact O-N 3.4Å; D676-N679 VanDerWaalsContact O-N 3.11Å; D676-N679 PolarHBondContact OD2-ND2 3.48Å; M677-N679 VanDerWaalsContact C-N 3.34Å; N679-K788 WeakPolarHBondContact O-CD 3.32Å; N679-K788 WeakPolarHBondContact O-CE 3.25Å; N679-K788 WeakPolarHBondContact O-CG 3.44Å; N679-E790 PolarHBondContact OD1-OE1 2.9Å; N679-E790 PolarHBondContact OD1-OE2 3.07Å |
| 680 | A | 96.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 13% | 0.132 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -70.2 | 142.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D676 M677 R682 | D676-A680 PolarHBondContact O-N 3.03Å; M677-A680 HydrophobicContact CE-CB 3.89Å; M677-A680 HydrophobicContact SD-CB 3.77Å; A680-R682 PolarHBondContact O-N 2.96Å |
| 681 | I | 96.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 23.5 Ų | 23.5 | 45% | 0.446 | 12% | 0.12 | S | C | . | . | trans | -80.7 | 117.4 | 175.8 | -61.3 | 167.2 | 0 | 0 | 0 | 108.5 | Y769 K788 | I681-Y769 HydrophobicContact CD1-CD1 3.58Å; I681-Y769 HydrophobicContact CD1-CD2 4.15Å; I681-Y769 HydrophobicContact CD1-CE1 3.71Å; I681-Y769 HydrophobicContact CD1-CE2 4.28Å; I681-Y769 HydrophobicContact CD1-CG 3.82Å; I681-Y769 HydrophobicContact CG1-CD1 4.37Å; I681-Y769 HydrophobicContact CG1-CD2 4.05Å; I681-Y769 HydrophobicContact CG1-CE1 4.4Å; I681-Y769 HydrophobicContact CG1-CE2 4.1Å; I681-Y769 HydrophobicContact CG1-CG 4.2Å; I681-Y769 HydrophobicContact CG2-CD2 3.95Å; I681-Y769 HydrophobicContact CG2-CG 3.96Å; I681-K788 HydrophobicContact CG1-CG 4.41Å | ||
| 682 | R | 95.8 | Very high | 96 | Very high | 37 Ų | 37 | 22.2 Ų | 22.2 | 14% | 0.14 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -135.1 | 158.2 | -179.6 | -67 | -57.9 | 167.8 | 172.8 | -1.4 | 111.8 | M677 A680 P684 G786 A787 D864 W866 P883 | M677-R682 HydrophobicContact CE-CG 3.67Å; A680-R682 PolarHBondContact O-N 2.96Å; R682-P684 WeakPolarHBondContact O-CD 3.33Å; R682-G786 CarbonylContact O-C 3.55Å; R682-G786 VanDerWaalsContact O-CA 3.31Å; R682-G786 WeakPolarHBondContact O-CA 3.12Å; R682-A787 PolarHBondContact N-O 3.28Å; R682-A787 PolarHBondContact O-N 3.19Å; R682-D864 WeakPolarHBondContact CB-OD1 3.49Å; R682-D864 WeakPolarHBondContact CD-OD1 3.01Å; R682-D864 WeakPolarHBondContact CG-OD1 3.34Å; R682-W866 HydrophobicContact CB-CH2 4.5Å; R682-W866 HydrophobicContact CB-CZ2 3.6Å; R682-P883 PolarHBondContact NH1-O 3.23Å; R682-P883 VanDerWaalsContact NH2-C 3.34Å; R682-P883 PolarHBondContact NH2-O 2.93Å |
| 683 | S | 94.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 18% | 0.182 | 10% | 0.096 | C | C | . | . | trans | -72.1 | 118.2 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | G685 G783 D864 W866 | S683-G685 PolarHBondContact O-N 3.28Å; S683-G783 WeakPolarHBondContact OG-CA 3.36Å; S683-G783 PolarHBondContact OG-O 3.12Å; S683-D864 PolarHBondContact N-OD2 2.99Å; S683-D864 VanDerWaalsContact N-OD2 3.1Å; S683-W866 PolarHBondContact O-NE1 2.67Å | ||
| 684 | P | 94.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -73.4 | -19.2 | -175.8 | 31.3 | -33.4 | 0 | 0 | 0 | 112 | R682 S686 V687 L688 A785 A787 M792 | R682-P684 WeakPolarHBondContact O-CD 3.33Å; P684-S686 PolarHBondContact O-N 3.2Å; P684-V687 HydrophobicContact CB-CG2 3.55Å; P684-V687 VanDerWaalsContact O-CG2 3.26Å; P684-V687 WeakPolarHBondContact O-CG2 3.45Å; P684-L688 HydrophobicContact CB-CG 4.34Å; P684-L688 HydrophobicContact CG-CD1 3.67Å; P684-L688 HydrophobicContact CG-CG 3.9Å; P684-A785 WeakPolarHBondContact CD-O 3.39Å; P684-A787 HydrophobicContact CB-CB 4.23Å; P684-A787 HydrophobicContact CG-CB 4.11Å; P684-M792 HydrophobicContact CB-CE 3.62Å; P684-M792 HydrophobicContact CG-CE 4.33Å | ||
| 685 | G | 91.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | 55.9 | -137.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | S683 V687 | S683-G685 PolarHBondContact O-N 3.28Å; G685-V687 PolarHBondContact O-N 3.22Å; G685-V687 VanDerWaalsContact O-N 3.14Å |
| 686 | S | 95.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 9% | 0.091 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -69.2 | -2.4 | -174.3 | -65.2 | 0 | 0 | 0 | 0 | 116.7 | P684 L688 K689 S740 T856 | P684-S686 PolarHBondContact O-N 3.2Å; S686-L688 PolarHBondContact O-N 2.81Å; S686-K689 WeakPolarHBondContact O-CB 3.31Å; S686-K689 WeakPolarHBondContact O-CG 3.39Å; S686-K689 PolarHBondContact O-N 3.48Å; S686-K689 VanDerWaalsContact OG-CE 3.25Å; S686-K689 WeakPolarHBondContact OG-CE 3.2Å; S686-K689 PolarHBondContact OG-NZ 3.13Å; S686-S740 WeakPolarHBondContact CB-OG 3.37Å; S686-S740 PolarHBondContact OG-OG 3.41Å; S686-T856 CarbonylContact C-O 3.57Å; S686-T856 WeakPolarHBondContact CB-O 3.47Å |
| 687 | V | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | -69.2 | -9.7 | 173.5 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | P684 G685 P690 M792 Y796 W866 I868 | P684-V687 HydrophobicContact CB-CG2 3.55Å; P684-V687 VanDerWaalsContact O-CG2 3.26Å; P684-V687 WeakPolarHBondContact O-CG2 3.45Å; G685-V687 PolarHBondContact O-N 3.22Å; G685-V687 VanDerWaalsContact O-N 3.14Å; V687-P690 WeakPolarHBondContact O-CD 3.24Å; V687-M792 HydrophobicContact CG2-CE 3.68Å; V687-M792 HydrophobicContact CG2-CG 4.14Å; V687-M792 HydrophobicContact CG2-SD 3.86Å; V687-Y796 WeakPolarHBondContact CA-OH 3.26Å; V687-Y796 HydrophobicContact CB-CE2 4.28Å; V687-Y796 WeakPolarHBondContact CB-OH 3.46Å; V687-Y796 WeakPolarHBondContact O-CE2 3.43Å; V687-Y796 PolarHBondContact O-OH 2.76Å; V687-W866 HydrophobicContact CG1-CB 3.9Å; V687-I868 HydrophobicContact CB-CG1 4.45Å; V687-I868 HydrophobicContact CG1-CG1 4.2Å |
| 688 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -79.2 | -18.6 | 172.9 | -69.5 | 176.1 | 0 | 0 | 0 | 113.6 | P684 S686 F691 F757 L761 L766 L768 L780 I781 M792 | P684-L688 HydrophobicContact CB-CG 4.34Å; P684-L688 HydrophobicContact CG-CD1 3.67Å; P684-L688 HydrophobicContact CG-CG 3.9Å; S686-L688 PolarHBondContact O-N 2.81Å; L688-F691 HydrophobicContact CD2-CD2 4.35Å; L688-F691 PolarHBondContact O-N 2.74Å; L688-F757 HydrophobicContact CB-CZ 4.49Å; L688-L761 HydrophobicContact CD2-CD1 4Å; L688-L766 HydrophobicContact CD2-CD2 4.34Å; L688-L768 HydrophobicContact CD1-CD1 4.32Å; L688-L768 HydrophobicContact CD1-CD2 4.36Å; L688-L768 HydrophobicContact CD2-CD2 4.16Å; L688-L780 HydrophobicContact CD1-CD2 4.05Å; L688-L780 WeakPolarHBondContact CD1-O 3.41Å; L688-I781 HydrophobicContact CB-CD1 4.01Å; L688-M792 HydrophobicContact CD2-CE 3.78Å; L688-M792 HydrophobicContact CD2-SD 4.44Å; L688-M792 HydrophobicContact CG-CE 4.45Å |
| 689 | K | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | -173.8 | -65.2 | -178.9 | -177.2 | -177.4 | 0 | 114.7 | S686 F691 V692 Y693 L737 S740 L741 N742 A745 I781 | S686-K689 WeakPolarHBondContact O-CB 3.31Å; S686-K689 WeakPolarHBondContact O-CG 3.39Å; S686-K689 PolarHBondContact O-N 3.48Å; S686-K689 VanDerWaalsContact OG-CE 3.25Å; S686-K689 WeakPolarHBondContact OG-CE 3.2Å; S686-K689 PolarHBondContact OG-NZ 3.13Å; K689-F691 PolarHBondContact O-N 3.13Å; K689-V692 WeakPolarHBondContact O-CG1 3.3Å; K689-V692 PolarHBondContact O-N 3.29Å; K689-V692 VanDerWaalsContact O-N 3.17Å; K689-Y693 HydrophobicContact CB-CD2 4.31Å; K689-Y693 HydrophobicContact CB-CE2 4.05Å; K689-Y693 WeakPolarHBondContact O-CD2 3.33Å; K689-Y693 PolarHBondContact O-N 3.23Å; K689-Y693 VanDerWaalsContact O-N 3.17Å; K689-L737 HydrophobicContact CB-CD1 4.32Å; K689-S740 PolarHBondContact NZ-O 3.44Å; K689-L741 PolarHBondContact NZ-O 3.41Å; K689-N742 PolarHBondContact NZ-OD1 2.87Å; K689-A745 HydrophobicContact CD-CB 3.84Å; K689-A745 HydrophobicContact CG-CB 3.91Å; K689-I781 HydrophobicContact CG-CD1 4.33Å; K689-I781 HydrophobicContact CG-CG1 4.1Å |
| 690 | P | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54 | -38.1 | 177.2 | -27.5 | 36.2 | 0 | 0 | 0 | 113.1 | V687 G694 L737 Y796 F799 I830 M834 K855 | V687-P690 WeakPolarHBondContact O-CD 3.24Å; P690-G694 PolarHBondContact O-N 2.89Å; P690-L737 HydrophobicContact CG-CD1 4.11Å; P690-Y796 HydrophobicContact CG-CE1 4.48Å; P690-F799 HydrophobicContact CB-CE1 4.32Å; P690-F799 HydrophobicContact CB-CE2 3.88Å; P690-F799 HydrophobicContact CB-CZ 3.5Å; P690-I830 HydrophobicContact CB-CG2 3.79Å; P690-M834 HydrophobicContact CB-SD 3.79Å; P690-M834 HydrophobicContact CG-SD 3.52Å; P690-M834 VanDerWaalsContact CG-SD 3.52Å; P690-K855 HydrophobicContact CG-CB 4.09Å; P690-K855 HydrophobicContact CG-CD 4.01Å; P690-K855 HydrophobicContact CG-CG 3.73Å |
| 691 | F | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.4 | -41.8 | 180 | -58.2 | -64.4 | 0 | 0 | 0 | 112.7 | L688 K689 G694 L695 F757 L761 L766 M792 A795 Y796 F799 L821 M822 | L688-F691 HydrophobicContact CD2-CD2 4.35Å; L688-F691 PolarHBondContact O-N 2.74Å; K689-F691 PolarHBondContact O-N 3.13Å; F691-G694 PolarHBondContact O-N 2.9Å; F691-L695 VanDerWaalsContact O-CB 3.3Å; F691-L695 WeakPolarHBondContact O-CB 3.36Å; F691-L695 WeakPolarHBondContact O-CD1 3.4Å; F691-L695 WeakPolarHBondContact O-CG 3.28Å; F691-L695 PolarHBondContact O-N 2.88Å; F691-F757 HydrophobicContact CB-CE2 3.77Å; F691-F757 HydrophobicContact CB-CZ 3.98Å; F691-L761 HydrophobicContact CB-CD2 3.97Å; F691-L761 HydrophobicContact CD1-CD2 4.33Å; F691-L761 HydrophobicContact CD2-CD2 4.26Å; F691-L761 HydrophobicContact CG-CD2 3.94Å; F691-L766 HydrophobicContact CE2-CD2 4.12Å; F691-M792 HydrophobicContact CE2-SD 3.78Å; F691-M792 HydrophobicContact CZ-SD 4.42Å; F691-A795 HydrophobicContact CE1-CB 4.08Å; F691-A795 HydrophobicContact CZ-CB 3.67Å; F691-Y796 AromaticContact CE2-CD2 3.86Å; F691-Y796 HydrophobicContact CE2-CD2 3.86Å; F691-Y796 AromaticContact CE2-CE2 3.62Å; F691-Y796 HydrophobicContact CE2-CE2 3.62Å; F691-Y796 AromaticContact CZ-CD2 3.47Å; F691-Y796 HydrophobicContact CZ-CD2 3.47Å; F691-Y796 VanDerWaalsContact CZ-CD2 3.47Å; F691-Y796 AromaticContact CZ-CE2 3.72Å; F691-Y796 HydrophobicContact CZ-CE2 3.72Å; F691-Y796 HydrophobicContact CZ-CG 4.2Å; F691-F799 AromaticContact CD1-CE2 3.99Å; F691-F799 HydrophobicContact CD1-CE2 3.99Å; F691-F799 AromaticContact CD1-CZ 3.64Å; F691-F799 HydrophobicContact CD1-CZ 3.64Å; F691-F799 AromaticContact CE1-CE2 3.59Å; F691-F799 HydrophobicContact CE1-CE2 3.59Å; F691-F799 AromaticContact CE1-CZ 3.75Å; F691-F799 HydrophobicContact CE1-CZ 3.75Å; F691-F799 HydrophobicContact CG-CZ 4.38Å; F691-F799 HydrophobicContact CZ-CE2 4.07Å; F691-L821 HydrophobicContact CD1-CD2 3.57Å; F691-L821 HydrophobicContact CE1-CD2 3.78Å; F691-M822 HydrophobicContact CD1-CE 4.17Å |
| 692 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | -179.2 | 81 | 0 | 0 | 0 | 0 | 110.9 | K689 A696 V748 L749 F757 I781 | K689-V692 WeakPolarHBondContact O-CG1 3.3Å; K689-V692 PolarHBondContact O-N 3.29Å; K689-V692 VanDerWaalsContact O-N 3.17Å; V692-A696 WeakPolarHBondContact O-CB 3.46Å; V692-A696 PolarHBondContact O-N 3.12Å; V692-V748 HydrophobicContact CG1-CG1 4.35Å; V692-V748 HydrophobicContact CG2-CG1 4.19Å; V692-L749 HydrophobicContact CG2-CB 4.09Å; V692-L749 HydrophobicContact CG2-CD1 3.75Å; V692-F757 HydrophobicContact CB-CD2 4.15Å; V692-F757 HydrophobicContact CB-CE2 3.73Å; V692-F757 HydrophobicContact CB-CZ 4.1Å; V692-F757 HydrophobicContact CG2-CD2 4.08Å; V692-F757 HydrophobicContact CG2-CE2 4.17Å; V692-I781 HydrophobicContact CB-CD1 3.75Å; V692-I781 HydrophobicContact CG1-CD1 3.56Å; V692-I781 HydrophobicContact CG1-CG1 4Å |
| 693 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 175.7 | -67.5 | -58.2 | 0 | 0 | 0 | 111.3 | K689 L695 A696 L697 I702 L708 M733 L737 A745 V748 | K689-Y693 HydrophobicContact CB-CD2 4.31Å; K689-Y693 HydrophobicContact CB-CE2 4.05Å; K689-Y693 WeakPolarHBondContact O-CD2 3.33Å; K689-Y693 PolarHBondContact O-N 3.23Å; K689-Y693 VanDerWaalsContact O-N 3.17Å; Y693-L695 PolarHBondContact O-N 2.79Å; Y693-A696 PolarHBondContact O-N 2.58Å; Y693-L697 VanDerWaalsContact O-CG 3.31Å; Y693-L697 WeakPolarHBondContact O-CG 3.42Å; Y693-L697 PolarHBondContact O-N 3.14Å; Y693-I702 HydrophobicContact CD1-CD1 3.83Å; Y693-L708 HydrophobicContact CE1-CD1 3.98Å; Y693-M733 HydrophobicContact CD1-CG 3.4Å; Y693-M733 HydrophobicContact CD1-SD 3.84Å; Y693-M733 HydrophobicContact CD2-SD 4.48Å; Y693-M733 HydrophobicContact CE1-CG 3.66Å; Y693-M733 HydrophobicContact CE1-SD 4.45Å; Y693-M733 HydrophobicContact CG-CG 4.06Å; Y693-M733 HydrophobicContact CG-SD 3.86Å; Y693-L737 HydrophobicContact CD2-CB 4.07Å; Y693-L737 HydrophobicContact CD2-CD1 3.85Å; Y693-L737 HydrophobicContact CD2-CD2 4.2Å; Y693-L737 HydrophobicContact CD2-CG 4.26Å; Y693-L737 HydrophobicContact CE2-CB 3.95Å; Y693-L737 HydrophobicContact CE2-CD1 3.99Å; Y693-L737 HydrophobicContact CE2-CG 4.47Å; Y693-A745 HydrophobicContact CE2-CB 4.49Å; Y693-A745 WeakPolarHBondContact OH-CA 3.42Å; Y693-A745 PolarHBondContact OH-N 2.93Å; Y693-V748 HydrophobicContact CD1-CB 4.3Å; Y693-V748 HydrophobicContact CD1-CG1 4.12Å; Y693-V748 HydrophobicContact CD1-CG2 4.04Å; Y693-V748 HydrophobicContact CE1-CB 4.14Å; Y693-V748 HydrophobicContact CE1-CG1 4.46Å; Y693-V748 HydrophobicContact CE1-CG2 3.73Å |
| 694 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P690 F691 L697 D698 | P690-G694 PolarHBondContact O-N 2.89Å; F691-G694 PolarHBondContact O-N 2.9Å; G694-L697 WeakPolarHBondContact O-CB 3.33Å; G694-L697 PolarHBondContact O-N 3.41Å; G694-D698 PolarHBondContact O-N 2.83Å; G694-D698 VanDerWaalsContact O-N 3.13Å |
| 695 | L | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.1 | -32.8 | 176.5 | -70.1 | 169.6 | 0 | 0 | 0 | 112.7 | F691 Y693 E699 Y752 F757 K760 L821 M822 | F691-L695 VanDerWaalsContact O-CB 3.3Å; F691-L695 WeakPolarHBondContact O-CB 3.36Å; F691-L695 WeakPolarHBondContact O-CD1 3.4Å; F691-L695 WeakPolarHBondContact O-CG 3.28Å; F691-L695 PolarHBondContact O-N 2.88Å; Y693-L695 PolarHBondContact O-N 2.79Å; L695-E699 WeakPolarHBondContact O-CG 3.41Å; L695-E699 PolarHBondContact O-N 3.44Å; L695-Y752 HydrophobicContact CB-CD2 4.31Å; L695-Y752 HydrophobicContact CB-CE1 4.46Å; L695-Y752 HydrophobicContact CB-CE2 3.6Å; L695-Y752 HydrophobicContact CD1-CE1 4.37Å; L695-Y752 WeakPolarHBondContact O-CE2 3.48Å; L695-F757 HydrophobicContact CD1-CD2 3.71Å; L695-F757 HydrophobicContact CD1-CE2 3.92Å; L695-K760 HydrophobicContact CD1-CB 4.18Å; L695-L821 HydrophobicContact CD2-CD1 4.31Å; L695-L821 VanDerWaalsContact CD2-O 3.25Å; L695-L821 WeakPolarHBondContact CD2-O 3.38Å; L695-M822 HydrophobicContact CD2-CB 4.4Å |
| 696 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -74.3 | -32.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V692 Y693 G700 L701 I702 V748 Y752 | V692-A696 WeakPolarHBondContact O-CB 3.46Å; V692-A696 PolarHBondContact O-N 3.12Å; Y693-A696 PolarHBondContact O-N 2.58Å; A696-G700 PolarHBondContact O-N 3.08Å; A696-L701 HydrophobicContact CB-CB 4.29Å; A696-L701 HydrophobicContact CB-CD1 4.38Å; A696-L701 WeakPolarHBondContact O-CB 3.44Å; A696-L701 PolarHBondContact O-N 2.79Å; A696-I702 HydrophobicContact CB-CD1 3.58Å; A696-I702 HydrophobicContact CB-CG1 3.83Å; A696-V748 HydrophobicContact CB-CG1 3.48Å; A696-V748 VanDerWaalsContact CB-CG1 3.48Å; A696-Y752 HydrophobicContact CB-CD2 4.49Å |
| 697 | L | 97.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 168.5 | -72.3 | 173.3 | 0 | 0 | 0 | 110.5 | Y693 G694 E699 G700 I702 H703 P704 M733 A826 I829 I830 L953 | Y693-L697 VanDerWaalsContact O-CG 3.31Å; Y693-L697 WeakPolarHBondContact O-CG 3.42Å; Y693-L697 PolarHBondContact O-N 3.14Å; G694-L697 WeakPolarHBondContact O-CB 3.33Å; G694-L697 PolarHBondContact O-N 3.41Å; L697-E699 VanDerWaalsContact C-N 3.32Å; L697-E699 PolarHBondContact O-N 3.18Å; L697-G700 PolarHBondContact O-N 2.87Å; L697-I702 HydrophobicContact CD2-CG1 4.23Å; L697-I702 WeakPolarHBondContact CD2-O 3.46Å; L697-I702 HydrophobicContact CG-CG1 4.47Å; L697-H703 VanDerWaalsContact CD2-CA 3.42Å; L697-P704 HydrophobicContact CD2-CG 4.49Å; L697-M733 HydrophobicContact CD1-CE 3.84Å; L697-M733 HydrophobicContact CD2-CE 3.63Å; L697-M733 HydrophobicContact CG-CE 3.79Å; L697-A826 HydrophobicContact CB-CB 4.2Å; L697-I829 HydrophobicContact CD1-CB 4.33Å; L697-I829 HydrophobicContact CD1-CG2 3.84Å; L697-I830 HydrophobicContact CD1-CD1 3.73Å; L697-I830 HydrophobicContact CD1-CG1 3.92Å; L697-L953 HydrophobicContact CB-CD2 4.35Å |
| 698 | D | 96.3 | Very high | 97.2 | Very high | 55 Ų | 55 | 11.1 Ų | 11.1 | 29% | 0.294 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 179.9 | -97.6 | 11.3 | 0 | 0 | 0 | 113.8 | G694 G700 M822 S823 A826 | G694-D698 PolarHBondContact O-N 2.83Å; G694-D698 VanDerWaalsContact O-N 3.13Å; D698-G700 PolarHBondContact O-N 2.71Å; D698-M822 VanDerWaalsContact OD2-C 3.26Å; D698-M822 WeakPolarHBondContact OD2-CA 3.36Å; D698-M822 WeakPolarHBondContact OD2-CB 2.98Å; D698-S823 WeakPolarHBondContact OD1-CB 3.31Å; D698-S823 PolarHBondContact OD1-N 3.22Å; D698-S823 PolarHBondContact OD1-OG 3.39Å; D698-S823 PolarHBondContact OD2-N 3.38Å; D698-A826 WeakPolarHBondContact OD1-CB 3.45Å |
| 699 | E | 96 | Very high | 96.9 | Very high | 82 Ų | 82 | 11.1 Ų | 11.1 | 38% | 0.383 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.6 | 177.4 | -61.5 | -73.7 | 151.8 | 0 | 0 | 112.6 | L695 L697 L701 Y752 R756 | L695-E699 WeakPolarHBondContact O-CG 3.41Å; L695-E699 PolarHBondContact O-N 3.44Å; L697-E699 VanDerWaalsContact C-N 3.32Å; L697-E699 PolarHBondContact O-N 3.18Å; E699-L701 VanDerWaalsContact C-N 3.27Å; E699-L701 HydrophobicContact CB-CD1 4.35Å; E699-L701 HydrophobicContact CB-CG 4.07Å; E699-L701 PolarHBondContact O-N 3.08Å; E699-Y752 HydrophobicContact CG-CD2 4.31Å; E699-Y752 HydrophobicContact CG-CE2 3.72Å; E699-R756 VanDerWaalsContact CD-CZ 3.46Å; E699-R756 IonicContact OE1-CZ 3.39Å; E699-R756 IonicContact OE1-NH1 3.41Å; E699-R756 IonicContact OE1-NH2 3.32Å; E699-R756 PolarHBondContact OE1-NH2 2.95Å; E699-R756 IonicContact OE2-CZ 2.73Å; E699-R756 IonicContact OE2-NH1 2.73Å; E699-R756 PolarHBondContact OE2-NH1 3.29Å; E699-R756 IonicContact OE2-NH2 3.41Å; E699-R756 PolarHBondContact OE2-NH2 2.95Å |
| 700 | G | 95.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 11.1 Ų | 11.1 | 25% | 0.247 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 27 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A696 L697 D698 P958 | A696-G700 PolarHBondContact O-N 3.08Å; L697-G700 PolarHBondContact O-N 2.87Å; D698-G700 PolarHBondContact O-N 2.71Å; G700-P958 VanDerWaalsContact O-CB 3.24Å; G700-P958 WeakPolarHBondContact O-CB 3.29Å; G700-P958 WeakPolarHBondContact O-CG 3.46Å |
| 701 | L | 96.2 | Very high | 95.9 | Very high | 53 Ų | 53 | 11.2 Ų | 11.2 | 28% | 0.277 | 6% | 0.063 | S | C | . | . | S | Bend | trans | -81.5 | -30.2 | 178.1 | -64.6 | 176.7 | 0 | 0 | 0 | 112.4 | A696 E699 Y752 | A696-L701 HydrophobicContact CB-CB 4.29Å; A696-L701 HydrophobicContact CB-CD1 4.38Å; A696-L701 WeakPolarHBondContact O-CB 3.44Å; A696-L701 PolarHBondContact O-N 2.79Å; E699-L701 VanDerWaalsContact C-N 3.27Å; E699-L701 HydrophobicContact CB-CD1 4.35Å; E699-L701 HydrophobicContact CB-CG 4.07Å; E699-L701 PolarHBondContact O-N 3.08Å; L701-Y752 HydrophobicContact CD1-CD2 4.15Å |
| 702 | I | 97.2 | Very high | 95 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | trans | -146.4 | 169.8 | -178.4 | 63 | -172.6 | 0 | 0 | 0 | 110.2 | Y693 A696 L697 S706 L708 M733 V748 L961 | Y693-I702 HydrophobicContact CD1-CD1 3.83Å; A696-I702 HydrophobicContact CB-CD1 3.58Å; A696-I702 HydrophobicContact CB-CG1 3.83Å; L697-I702 HydrophobicContact CD2-CG1 4.23Å; L697-I702 WeakPolarHBondContact CD2-O 3.46Å; L697-I702 HydrophobicContact CG-CG1 4.47Å; I702-S706 WeakPolarHBondContact CA-OG 3.2Å; I702-L708 HydrophobicContact CG2-CD2 4.44Å; I702-M733 HydrophobicContact CD1-CE 4.29Å; I702-M733 HydrophobicContact CD1-CG 3.89Å; I702-V748 HydrophobicContact CD1-CG1 3.8Å; I702-V748 HydrophobicContact CD1-CG2 3.87Å; I702-V748 HydrophobicContact CG2-CG2 4.35Å; I702-L961 HydrophobicContact CG2-CB 4.37Å; I702-L961 HydrophobicContact CG2-CD2 3.96Å | ||
| 703 | H | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | trans | -134.5 | 169.1 | 165.9 | 64.1 | 85.8 | 0 | 0 | 0 | 108.4 | L697 A705 S706 G934 L952 | L697-H703 VanDerWaalsContact CD2-CA 3.42Å; H703-A705 VanDerWaalsContact C-N 3.27Å; H703-A705 PolarHBondContact ND1-N 3.28Å; H703-A705 PolarHBondContact O-N 3.01Å; H703-S706 PolarHBondContact CD2-OG 3.48Å; H703-S706 PolarHBondContact CE1-N 2.83Å; H703-S706 PolarHBondContact N-OG 3.34Å; H703-S706 PolarHBondContact ND1-N 2.83Å; H703-S706 PolarHBondContact NE2-OG 3.07Å; H703-S706 VanDerWaalsContact NE2-OG 3.1Å; H703-S706 VanDerWaalsContact O-CB 3.31Å; H703-S706 WeakPolarHBondContact O-CB 3.44Å; H703-S706 PolarHBondContact O-N 3.29Å; H703-S706 PolarHBondContact O-OG 3.3Å; H703-G934 PolarHBondContact NE2-O 2.76Å; H703-L952 HydrophobicContact CB-CD2 4.3Å | ||
| 704 | P | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -36.4 | -175 | -27.6 | 37.8 | 0 | 0 | 0 | 114.4 | L697 M733 S734 I829 I833 T950 W951 | L697-P704 HydrophobicContact CD2-CG 4.49Å; P704-M733 HydrophobicContact CG-CE 4.49Å; P704-M733 WeakPolarHBondContact O-CB 3.35Å; P704-M733 PolarHBondContact O-N 3.39Å; P704-M733 VanDerWaalsContact O-N 3.11Å; P704-S734 PolarHBondContact O-N 2.75Å; P704-S734 PolarHBondContact O-OG 3.12Å; P704-I829 HydrophobicContact CG-CG2 3.48Å; P704-I829 VanDerWaalsContact CG-CG2 3.48Å; P704-I833 HydrophobicContact CB-CD1 3.99Å; P704-I833 HydrophobicContact CG-CD1 4.19Å; P704-T950 WeakPolarHBondContact CB-OG1 3.32Å; P704-W951 WeakPolarHBondContact CD-O 3.33Å; P704-W951 HydrophobicContact CG-CB 4.38Å |
| 705 | A | 96.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 12.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H703 L707 I929 W931 L948 T950 | H703-A705 VanDerWaalsContact C-N 3.27Å; H703-A705 PolarHBondContact ND1-N 3.28Å; H703-A705 PolarHBondContact O-N 3.01Å; A705-L707 PolarHBondContact O-N 2.68Å; A705-I929 HydrophobicContact CB-CD1 3.85Å; A705-I929 HydrophobicContact CB-CG1 3.8Å; A705-I929 WeakPolarHBondContact O-CD1 3.41Å; A705-W931 PolarHBondContact O-NE1 3.36Å; A705-L948 HydrophobicContact CB-CB 4.1Å; A705-L948 HydrophobicContact CB-CD1 4.25Å; A705-T950 VanDerWaalsContact CB-CB 3.5Å; A705-T950 HydrophobicContact CB-CG2 4.14Å; A705-T950 VanDerWaalsContact CB-OG1 3.32Å; A705-T950 WeakPolarHBondContact CB-OG1 3.49Å; A705-T950 PolarHBondContact N-OG1 3.2Å; A705-T950 VanDerWaalsContact N-OG1 3.08Å |
| 706 | S | 97 | Very high | 88.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | trans | -60.1 | 137.5 | 177.5 | -71.9 | 0 | 0 | 0 | 0 | 110.8 | I702 H703 L708 S732 M733 | I702-S706 WeakPolarHBondContact CA-OG 3.2Å; H703-S706 PolarHBondContact CD2-OG 3.48Å; H703-S706 PolarHBondContact CE1-N 2.83Å; H703-S706 PolarHBondContact N-OG 3.34Å; H703-S706 PolarHBondContact ND1-N 2.83Å; H703-S706 PolarHBondContact NE2-OG 3.07Å; H703-S706 VanDerWaalsContact NE2-OG 3.1Å; H703-S706 VanDerWaalsContact O-CB 3.31Å; H703-S706 WeakPolarHBondContact O-CB 3.44Å; H703-S706 PolarHBondContact O-N 3.29Å; H703-S706 PolarHBondContact O-OG 3.3Å; S706-L708 PolarHBondContact O-N 2.79Å; S706-S732 CarbonylContact O-C 3.47Å; S706-S732 WeakPolarHBondContact O-CA 3.08Å; S706-M733 PolarHBondContact O-N 2.75Å; S706-M733 VanDerWaalsContact O-N 3.11Å | ||
| 707 | L | 96.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 111.8 | 174.8 | -176.4 | 85.3 | 0 | 0 | 0 | 109.3 | A705 P730 W931 T960 W1000 P1001 L1004 | A705-L707 PolarHBondContact O-N 2.68Å; L707-P730 HydrophobicContact CD1-CB 3.58Å; L707-W931 HydrophobicContact CB-CD2 4.17Å; L707-W931 HydrophobicContact CB-CG 4.26Å; L707-W931 HydrophobicContact CB-CZ2 4.28Å; L707-W931 HydrophobicContact CD1-CD2 3.43Å; L707-W931 VanDerWaalsContact CD1-CD2 3.43Å; L707-W931 HydrophobicContact CD1-CE3 3.43Å; L707-W931 VanDerWaalsContact CD1-CE3 3.43Å; L707-W931 HydrophobicContact CD1-CG 4.02Å; L707-W931 HydrophobicContact CD1-CH2 3.95Å; L707-W931 HydrophobicContact CD1-CZ2 3.94Å; L707-W931 HydrophobicContact CD1-CZ3 3.69Å; L707-W931 HydrophobicContact CG-CD2 4.42Å; L707-T960 HydrophobicContact CB-CG2 4.01Å; L707-T960 HydrophobicContact CD2-CG2 3.72Å; L707-T960 HydrophobicContact CG-CG2 4.35Å; L707-W1000 HydrophobicContact CD1-CE3 4.2Å; L707-W1000 HydrophobicContact CD1-CZ3 3.67Å; L707-W1000 HydrophobicContact CD2-CE3 4.25Å; L707-W1000 HydrophobicContact CD2-CZ3 4.47Å; L707-P1001 HydrophobicContact CD2-CG 3.81Å; L707-L1004 HydrophobicContact CD2-CD1 3.91Å; L707-L1004 HydrophobicContact CG-CD1 4.44Å |
| 708 | L | 95.3 | Very high | 86 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 160.4 | 168.9 | -57.5 | -177.7 | 0 | 0 | 0 | 109.8 | Y693 I702 S706 I731 M733 P744 V748 L961 | Y693-L708 HydrophobicContact CE1-CD1 3.98Å; I702-L708 HydrophobicContact CG2-CD2 4.44Å; S706-L708 PolarHBondContact O-N 2.79Å; L708-I731 HydrophobicContact CB-CG2 4.27Å; L708-I731 PolarHBondContact N-O 2.98Å; L708-I731 PolarHBondContact O-N 3.32Å; L708-M733 HydrophobicContact CD1-CB 3.84Å; L708-M733 HydrophobicContact CD1-CG 4.07Å; L708-M733 HydrophobicContact CG-CB 4.41Å; L708-P744 HydrophobicContact CB-CB 3.85Å; L708-P744 HydrophobicContact CB-CG 4.39Å; L708-P744 HydrophobicContact CD1-CB 3.7Å; L708-P744 HydrophobicContact CG-CB 4.42Å; L708-V748 HydrophobicContact CD1-CG2 3.92Å; L708-V748 HydrophobicContact CD2-CG2 3.96Å; L708-L961 HydrophobicContact CD2-CD2 4.39Å |
| 709 | Q | 92.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 108.3 | -172.1 | -57.1 | 173.7 | 34.6 | 0 | 0 | 110 | V711 Q966 L1004 | Q709-V711 HydrophobicContact CB-CG2 4.07Å; Q709-V711 PolarHBondContact O-N 3.47Å; Q709-Q966 VanDerWaalsContact OE1-CD 3.3Å; Q709-Q966 VanDerWaalsContact OE1-OE1 3.14Å; Q709-L1004 HydrophobicContact CB-CD2 4.25Å; Q709-L1004 HydrophobicContact CG-CD1 4.2Å; Q709-L1004 HydrophobicContact CG-CD2 4.22Å; Q709-L1004 HydrophobicContact CG-CG 4.2Å |
| 710 | D | 90.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 69.1 | 172.6 | -168.8 | 49.5 | 0 | 0 | 0 | 110.7 | N722 F727 H728 G729 I731 L741 L743 P744 | D710-N722 PolarHBondContact OD1-ND2 3.09Å; D710-N722 PolarHBondContact OD1-OD1 2.96Å; D710-N722 PolarHBondContact OD2-ND2 2.86Å; D710-F727 CarbonylContact O-C 3.53Å; D710-F727 WeakPolarHBondContact O-CB 3.42Å; D710-H728 HydrophobicContact CB-CB 4.21Å; D710-H728 PolarHBondContact O-N 3.33Å; D710-H728 VanDerWaalsContact O-N 3.12Å; D710-H728 WeakPolarHBondContact OD2-CB 3.27Å; D710-H728 IonicContact OD2-CE1 3.73Å; D710-H728 IonicContact OD2-CG 3.92Å; D710-H728 PolarHBondContact OD2-N 3.35Å; D710-H728 IonicContact OD2-ND1 2.65Å; D710-H728 PolarHBondContact OD2-ND1 3.47Å; D710-G729 PolarHBondContact N-O 3.08Å; D710-G729 PolarHBondContact O-N 2.92Å; D710-I731 HydrophobicContact CB-CG2 4.03Å; D710-L741 HydrophobicContact CB-CD1 4.21Å; D710-L743 WeakPolarHBondContact OD1-CD2 3.28Å; D710-P744 HydrophobicContact CB-CG 4.06Å |
| 711 | V | 84.7 | Confident | 83.1 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -129.6 | 162.2 | -176.9 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | Q709 R713 P1003 L1004 W1007 | Q709-V711 HydrophobicContact CB-CG2 4.07Å; Q709-V711 PolarHBondContact O-N 3.47Å; V711-R713 WeakPolarHBondContact O-CG 3.42Å; V711-R713 PolarHBondContact O-N 3.46Å; V711-P1003 HydrophobicContact CG2-CB 3.84Å; V711-L1004 HydrophobicContact CG1-CD2 3.71Å; V711-W1007 HydrophobicContact CB-CE3 4.43Å; V711-W1007 HydrophobicContact CB-CH2 3.98Å; V711-W1007 HydrophobicContact CB-CZ2 4.31Å; V711-W1007 HydrophobicContact CB-CZ3 4.03Å; V711-W1007 HydrophobicContact CG1-CD2 3.83Å; V711-W1007 HydrophobicContact CG1-CE3 3.58Å; V711-W1007 HydrophobicContact CG1-CH2 3.97Å; V711-W1007 HydrophobicContact CG1-CZ2 4.14Å; V711-W1007 HydrophobicContact CG1-CZ3 3.68Å |
| 712 | P | 78.9 | Confident | 82 | Confident | 76 Ų | 76 | 35 Ų | 35 | 49% | 0.494 | 19% | 0.193 | S | C | . | . | trans | -54.3 | 128.4 | 174.5 | -23.1 | 31.8 | 0 | 0 | 0 | 111.4 | F727 W1007 | P712-F727 HydrophobicContact CB-CE1 4.22Å; P712-F727 HydrophobicContact CB-CE2 4.45Å; P712-F727 HydrophobicContact CB-CZ 4.01Å; P712-F727 HydrophobicContact CG-CD1 4.17Å; P712-F727 HydrophobicContact CG-CD2 3.9Å; P712-F727 HydrophobicContact CG-CE1 3.92Å; P712-F727 HydrophobicContact CG-CE2 3.66Å; P712-F727 HydrophobicContact CG-CG 4.15Å; P712-F727 HydrophobicContact CG-CZ 3.66Å; P712-W1007 HydrophobicContact CG-CH2 4.18Å; P712-W1007 HydrophobicContact CG-CZ2 4.3Å | ||
| 713 | R | 74.9 | Confident | 80.5 | Confident | 28 Ų | 28 | 40.1 Ų | 40.1 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | trans | -123.8 | 146.1 | 178.6 | -61.5 | -171 | 64.4 | -149.3 | -11.6 | 111.2 | V711 E750 L963 | V711-R713 WeakPolarHBondContact O-CG 3.42Å; V711-R713 PolarHBondContact O-N 3.46Å; R713-E750 IonicContact CZ-OE2 2.7Å; R713-E750 IonicContact NH1-OE2 3.03Å; R713-E750 PolarHBondContact NH1-OE2 2.54Å; R713-E750 IonicContact NH2-OE1 3.95Å; R713-E750 IonicContact NH2-OE2 2.95Å; R713-E750 PolarHBondContact NH2-OE2 3.41Å; R713-L963 VanDerWaalsContact NE-CD1 3.28Å; R713-L963 VanDerWaalsContact NH2-CD2 3.31Å | ||
| 714 | R | 66.7 | Low | 78.9 | Confident | 126 Ų | 126 | 43.7 Ų | 43.7 | 48% | 0.475 | 23% | 0.234 | S | C | . | . | trans | -133.7 | 116.7 | 168.8 | -177.1 | -176 | -179 | -168.8 | -4.9 | 108.5 | G716 R719 | R714-G716 VanDerWaalsContact CG-O 3.24Å; R714-G716 WeakPolarHBondContact CG-O 3.31Å; R714-G716 PolarHBondContact NE-O 3.06Å; R714-R719 HydrophobicContact CG-CG 4.31Å | ||
| 715 | T | 60.4 | Low | 77 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 103.2 | 168.3 | -52.2 | 0 | 0 | 0 | 0 | 107.2 | D717 Y718 | T715-D717 PolarHBondContact O-N 2.57Å; T715-Y718 PolarHBondContact N-O 3.4Å; T715-Y718 WeakPolarHBondContact O-CB 3.32Å; T715-Y718 PolarHBondContact O-N 2.82Å |
| 716 | G | 62.6 | Low | 75.5 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 55% | 0.546 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -120.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R714 | R714-G716 VanDerWaalsContact CG-O 3.24Å; R714-G716 WeakPolarHBondContact CG-O 3.31Å; R714-G716 PolarHBondContact NE-O 3.06Å |
| 717 | D | 63.7 | Low | 74.7 | Confident | 149 Ų | 149 | 53.1 Ų | 53.1 | 80% | 0.797 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.2 | 176.8 | -65.8 | -31.3 | 0 | 0 | 0 | 113.8 | T715 R719 | T715-D717 PolarHBondContact O-N 2.57Å; D717-R719 PolarHBondContact O-N 3.15Å |
| 718 | Y | 72.9 | Confident | 74 | Confident | 63 Ų | 63 | 56 Ų | 56 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 115.6 | -179.3 | -174.5 | -127 | 0 | 0 | 0 | 110.4 | T715 P720 V746 L778 L782 | T715-Y718 PolarHBondContact N-O 3.4Å; T715-Y718 WeakPolarHBondContact O-CB 3.32Å; T715-Y718 PolarHBondContact O-N 2.82Å; Y718-P720 HydrophobicContact CD1-CG 4.09Å; Y718-P720 HydrophobicContact CE1-CB 4.05Å; Y718-P720 HydrophobicContact CE1-CG 3.68Å; Y718-P720 HydrophobicContact CE2-CB 4.37Å; Y718-P720 WeakPolarHBondContact O-CD 3.35Å; Y718-V746 HydrophobicContact CE1-CG1 3.97Å; Y718-V746 HydrophobicContact CE1-CG2 4.16Å; Y718-L778 HydrophobicContact CD1-CB 4.09Å; Y718-L778 HydrophobicContact CD1-CD1 4.44Å; Y718-L778 HydrophobicContact CE1-CB 3.77Å; Y718-L782 VanDerWaalsContact OH-CD1 3.22Å; Y718-L782 WeakPolarHBondContact OH-CD1 3.48Å |
| 719 | R | 76.2 | Confident | 73.6 | Confident | 106 Ų | 106 | 56 Ų | 56 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | trans | -123.2 | 77 | 177.5 | -65.8 | -176.3 | -177.3 | -162.7 | -1.5 | 109.7 | R714 D717 | R714-R719 HydrophobicContact CG-CG 4.31Å; D717-R719 PolarHBondContact O-N 3.15Å | ||
| 720 | P | 78.5 | Confident | 73.7 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | trans | -61.7 | 150.5 | 172.4 | 26.1 | -31.5 | 0 | 0 | 0 | 109.8 | Y718 L743 V746 L782 | Y718-P720 HydrophobicContact CD1-CG 4.09Å; Y718-P720 HydrophobicContact CE1-CB 4.05Å; Y718-P720 HydrophobicContact CE1-CG 3.68Å; Y718-P720 HydrophobicContact CE2-CB 4.37Å; Y718-P720 WeakPolarHBondContact O-CD 3.35Å; P720-L743 HydrophobicContact CB-CD1 3.6Å; P720-L743 HydrophobicContact CG-CD1 3.49Å; P720-L743 VanDerWaalsContact CG-CD1 3.49Å; P720-L743 WeakPolarHBondContact O-CD1 3.36Å; P720-V746 HydrophobicContact CB-CG2 4.31Å; P720-V746 HydrophobicContact CG-CG1 4.41Å; P720-V746 HydrophobicContact CG-CG2 4.28Å; P720-L782 HydrophobicContact CB-CD1 3.91Å | ||
| 721 | G | 71.8 | Confident | 73.9 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | trans | -132.3 | 159.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | N742 | G721-N742 WeakPolarHBondContact O-CB 3.37Å; G721-N742 PolarHBondContact O-ND2 2.98Å | ||
| 722 | N | 72.2 | Confident | 74.4 | Confident | 14 Ų | 14 | 58 Ų | 58 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | trans | -71.3 | 159.9 | 170.1 | -72.5 | -36.4 | 0 | 0 | 0 | 111.4 | D710 D724 S725 G726 N742 L743 | D710-N722 PolarHBondContact OD1-ND2 3.09Å; D710-N722 PolarHBondContact OD1-OD1 2.96Å; D710-N722 PolarHBondContact OD2-ND2 2.86Å; N722-D724 VanDerWaalsContact C-N 3.34Å; N722-D724 WeakPolarHBondContact CB-OD1 3.48Å; N722-S725 PolarHBondContact O-N 3.07Å; N722-G726 PolarHBondContact ND2-O 3.32Å; N722-N742 PolarHBondContact OD1-N 3.46Å; N722-L743 HydrophobicContact CB-CD2 4.32Å; N722-L743 WeakPolarHBondContact ND2-CD2 3.47Å; N722-L743 VanDerWaalsContact OD1-CD2 3.24Å; N722-L743 WeakPolarHBondContact OD1-CD2 3.37Å | ||
| 723 | F | 66.7 | Low | 75.3 | Confident | 110 Ų | 110 | 54.4 Ų | 54.4 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -34.4 | 178.4 | -178 | -94.7 | 0 | 0 | 0 | 112.5 | S725 T858 Y862 F892 | F723-S725 VanDerWaalsContact C-N 3.27Å; F723-S725 PolarHBondContact O-N 3.22Å; F723-T858 HydrophobicContact CE2-CG2 4.1Å; F723-Y862 HydrophobicContact CE2-CD1 4.29Å; F723-Y862 AromaticContact CE2-CE1 3.46Å; F723-Y862 HydrophobicContact CE2-CE1 3.46Å; F723-Y862 VanDerWaalsContact CE2-CE1 3.46Å; F723-Y862 HydrophobicContact CZ-CD1 4.5Å; F723-Y862 AromaticContact CZ-CE1 3.58Å; F723-Y862 HydrophobicContact CZ-CE1 3.58Å; F723-F892 HydrophobicContact CE1-CD2 4.48Å; F723-F892 HydrophobicContact CZ-CB 4.02Å; F723-F892 HydrophobicContact CZ-CD1 4.29Å; F723-F892 HydrophobicContact CZ-CD2 4.36Å; F723-F892 AromaticContact CZ-CG 3.99Å; F723-F892 HydrophobicContact CZ-CG 3.99Å |
| 724 | D | 62.8 | Low | 76.3 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 7.9 | 177.3 | 58.3 | -3.1 | 0 | 0 | 0 | 113.2 | N722 G726 H728 | N722-D724 VanDerWaalsContact C-N 3.34Å; N722-D724 WeakPolarHBondContact CB-OD1 3.48Å; D724-G726 PolarHBondContact O-N 3.13Å; D724-H728 IonicContact OD2-CE1 2.86Å; D724-H728 PolarHBondContact OD2-CE1 2.9Å |
| 725 | S | 57.2 | Low | 77.6 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 72% | 0.72 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 57.6 | -8.2 | -175.8 | 67 | 0 | 0 | 0 | 0 | 116.7 | N722 F723 | N722-S725 PolarHBondContact O-N 3.07Å; F723-S725 VanDerWaalsContact C-N 3.27Å; F723-S725 PolarHBondContact O-N 3.22Å |
| 726 | G | 65.6 | Low | 79.3 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | trans | -82.5 | 162.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N722 D724 | N722-G726 PolarHBondContact ND2-O 3.32Å; D724-G726 PolarHBondContact O-N 3.13Å | ||
| 727 | F | 79.8 | Confident | 80.9 | Confident | 71 Ų | 71 | 46 Ų | 46 | 31% | 0.311 | 25% | 0.249 | S | C | . | . | trans | -126 | 130.4 | 173.7 | -65.4 | -75.7 | 0 | 0 | 0 | 108.5 | D710 P712 L743 W1007 | D710-F727 CarbonylContact O-C 3.53Å; D710-F727 WeakPolarHBondContact O-CB 3.42Å; P712-F727 HydrophobicContact CB-CE1 4.22Å; P712-F727 HydrophobicContact CB-CE2 4.45Å; P712-F727 HydrophobicContact CB-CZ 4.01Å; P712-F727 HydrophobicContact CG-CD1 4.17Å; P712-F727 HydrophobicContact CG-CD2 3.9Å; P712-F727 HydrophobicContact CG-CE1 3.92Å; P712-F727 HydrophobicContact CG-CE2 3.66Å; P712-F727 HydrophobicContact CG-CG 4.15Å; P712-F727 HydrophobicContact CG-CZ 3.66Å; F727-L743 HydrophobicContact CD1-CD2 4.14Å; F727-L743 HydrophobicContact CE1-CD2 3.79Å; F727-L743 HydrophobicContact CE1-CG 4.37Å; F727-W1007 HydrophobicContact CB-CZ2 4.09Å; F727-W1007 PolarHBondContact O-NE1 3.3Å | ||
| 728 | H | 81.2 | Confident | 82.3 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | trans | -100.2 | -3.4 | -173.8 | -58.9 | 89.7 | 0 | 0 | 0 | 113.7 | D710 D724 I731 R739 | D710-H728 HydrophobicContact CB-CB 4.21Å; D710-H728 PolarHBondContact O-N 3.33Å; D710-H728 VanDerWaalsContact O-N 3.12Å; D710-H728 WeakPolarHBondContact OD2-CB 3.27Å; D710-H728 IonicContact OD2-CE1 3.73Å; D710-H728 IonicContact OD2-CG 3.92Å; D710-H728 PolarHBondContact OD2-N 3.35Å; D710-H728 IonicContact OD2-ND1 2.65Å; D710-H728 PolarHBondContact OD2-ND1 3.47Å; D724-H728 IonicContact OD2-CE1 2.86Å; D724-H728 PolarHBondContact OD2-CE1 2.9Å; H728-I731 HydrophobicContact CB-CD1 4.47Å; H728-R739 PolarHBondContact CD2-NH1 3.42Å; H728-R739 PolarHBondContact CD2-NH2 3.1Å; H728-R739 PolarHBondContact CE1-NH2 2.86Å; H728-R739 VanDerWaalsContact CE1-NH2 3.27Å; H728-R739 PolarHBondContact NE2-NH2 2.9Å | ||
| 729 | G | 87.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.2 | -126.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D710 I731 | D710-G729 PolarHBondContact N-O 3.08Å; D710-G729 PolarHBondContact O-N 2.92Å; G729-I731 PolarHBondContact O-N 3.48Å |
| 730 | P | 93.4 | Very high | 83.9 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.1 | -177.7 | 28.2 | -31.5 | 0 | 0 | 0 | 111.7 | L707 W931 W1000 L1004 L1008 | L707-P730 HydrophobicContact CD1-CB 3.58Å; P730-W931 HydrophobicContact CB-CZ3 4.29Å; P730-W1000 HydrophobicContact CB-CE3 4.3Å; P730-W1000 HydrophobicContact CB-CZ3 3.77Å; P730-W1000 HydrophobicContact CG-CZ3 4.25Å; P730-L1004 HydrophobicContact CB-CD1 4.03Å; P730-L1004 HydrophobicContact CB-CD2 4.32Å; P730-L1008 HydrophobicContact CG-CD2 4.25Å |
| 731 | I | 94 | Very high | 84.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.1 | -179.5 | -167 | 150.8 | 0 | 0 | 0 | 112.4 | L708 D710 H728 G729 E735 A736 L741 P744 | L708-I731 HydrophobicContact CB-CG2 4.27Å; L708-I731 PolarHBondContact N-O 2.98Å; L708-I731 PolarHBondContact O-N 3.32Å; D710-I731 HydrophobicContact CB-CG2 4.03Å; H728-I731 HydrophobicContact CB-CD1 4.47Å; G729-I731 PolarHBondContact O-N 3.48Å; I731-E735 HydrophobicContact CD1-CB 4.03Å; I731-E735 VanDerWaalsContact CD1-CD 3.42Å; I731-E735 HydrophobicContact CD1-CG 3.69Å; I731-E735 WeakPolarHBondContact CD1-OE1 3.39Å; I731-E735 HydrophobicContact CG1-CB 3.74Å; I731-E735 HydrophobicContact CG1-CG 3.92Å; I731-A736 HydrophobicContact CG2-CB 4.21Å; I731-L741 HydrophobicContact CD1-CD1 3.39Å; I731-P744 HydrophobicContact CG2-CG 3.9Å |
| 732 | S | 96.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 39 Ų | 39 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 152.8 | 173.5 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | S706 S734 E735 A736 | S706-S732 CarbonylContact O-C 3.47Å; S706-S732 WeakPolarHBondContact O-CA 3.08Å; S732-S734 VanDerWaalsContact C-N 3.28Å; S732-S734 PolarHBondContact O-N 2.95Å; S732-S734 PolarHBondContact OG-OG 3.38Å; S732-E735 PolarHBondContact O-N 3.35Å; S732-E735 WeakPolarHBondContact OG-CB 3.44Å; S732-E735 PolarHBondContact OG-N 2.94Å; S732-E735 VanDerWaalsContact OG-N 3.14Å; S732-A736 WeakPolarHBondContact O-CB 3.34Å; S732-A736 PolarHBondContact O-N 2.73Å |
| 733 | M | 96.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.8 | -43.5 | 172.9 | -177.6 | -84.1 | -88.2 | 0 | 0 | 112.2 | Y693 L697 I702 P704 S706 L708 E735 A736 L737 I830 I833 | Y693-M733 HydrophobicContact CD1-CG 3.4Å; Y693-M733 HydrophobicContact CD1-SD 3.84Å; Y693-M733 HydrophobicContact CD2-SD 4.48Å; Y693-M733 HydrophobicContact CE1-CG 3.66Å; Y693-M733 HydrophobicContact CE1-SD 4.45Å; Y693-M733 HydrophobicContact CG-CG 4.06Å; Y693-M733 HydrophobicContact CG-SD 3.86Å; L697-M733 HydrophobicContact CD1-CE 3.84Å; L697-M733 HydrophobicContact CD2-CE 3.63Å; L697-M733 HydrophobicContact CG-CE 3.79Å; I702-M733 HydrophobicContact CD1-CE 4.29Å; I702-M733 HydrophobicContact CD1-CG 3.89Å; P704-M733 HydrophobicContact CG-CE 4.49Å; P704-M733 WeakPolarHBondContact O-CB 3.35Å; P704-M733 PolarHBondContact O-N 3.39Å; P704-M733 VanDerWaalsContact O-N 3.11Å; S706-M733 PolarHBondContact O-N 2.75Å; S706-M733 VanDerWaalsContact O-N 3.11Å; L708-M733 HydrophobicContact CD1-CB 3.84Å; L708-M733 HydrophobicContact CD1-CG 4.07Å; L708-M733 HydrophobicContact CG-CB 4.41Å; M733-E735 PolarHBondContact O-N 2.89Å; M733-A736 PolarHBondContact O-N 3.48Å; M733-L737 PolarHBondContact O-N 3.33Å; M733-I830 HydrophobicContact CE-CD1 4.26Å; M733-I833 HydrophobicContact CE-CD1 4.4Å; M733-I833 HydrophobicContact SD-CD1 4.4Å |
| 734 | S | 96.7 | Very high | 87.7 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 179.1 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | P704 S732 L737 V738 | P704-S734 PolarHBondContact O-N 2.75Å; P704-S734 PolarHBondContact O-OG 3.12Å; S732-S734 VanDerWaalsContact C-N 3.28Å; S732-S734 PolarHBondContact O-N 2.95Å; S732-S734 PolarHBondContact OG-OG 3.38Å; S734-L737 PolarHBondContact O-N 3.37Å; S734-V738 WeakPolarHBondContact O-CG2 3.32Å; S734-V738 PolarHBondContact O-N 3.02Å |
| 735 | E | 94 | Very high | 89.3 | Confident | 71 Ų | 71 | 29.4 Ų | 29.4 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67 | -40 | 177.8 | -169.4 | -170 | 156 | 0 | 0 | 111.1 | I731 S732 M733 L737 V738 R739 | I731-E735 HydrophobicContact CD1-CB 4.03Å; I731-E735 VanDerWaalsContact CD1-CD 3.42Å; I731-E735 HydrophobicContact CD1-CG 3.69Å; I731-E735 WeakPolarHBondContact CD1-OE1 3.39Å; I731-E735 HydrophobicContact CG1-CB 3.74Å; I731-E735 HydrophobicContact CG1-CG 3.92Å; S732-E735 PolarHBondContact O-N 3.35Å; S732-E735 WeakPolarHBondContact OG-CB 3.44Å; S732-E735 PolarHBondContact OG-N 2.94Å; S732-E735 VanDerWaalsContact OG-N 3.14Å; M733-E735 PolarHBondContact O-N 2.89Å; E735-L737 VanDerWaalsContact C-N 3.28Å; E735-L737 PolarHBondContact O-N 2.84Å; E735-V738 PolarHBondContact O-N 3.41Å; E735-R739 HydrophobicContact CG-CG 4.2Å; E735-R739 VanDerWaalsContact O-CB 3.32Å; E735-R739 WeakPolarHBondContact O-CB 3.37Å; E735-R739 WeakPolarHBondContact O-CG 3.48Å; E735-R739 PolarHBondContact O-N 2.9Å; E735-R739 IonicContact OE1-NH1 3.29Å; E735-R739 PolarHBondContact OE1-NH1 3.08Å |
| 736 | A | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.8 | -34.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I731 S732 M733 S740 L741 P744 | I731-A736 HydrophobicContact CG2-CB 4.21Å; S732-A736 WeakPolarHBondContact O-CB 3.34Å; S732-A736 PolarHBondContact O-N 2.73Å; M733-A736 PolarHBondContact O-N 3.48Å; A736-S740 CarbonylContact O-C 3.51Å; A736-S740 WeakPolarHBondContact O-CA 3.37Å; A736-S740 PolarHBondContact O-N 3.18Å; A736-L741 PolarHBondContact O-N 3.49Å; A736-P744 HydrophobicContact CB-CB 3.67Å; A736-P744 HydrophobicContact CB-CG 3.88Å |
| 737 | L | 96.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.5 | -49.3 | 174.5 | 177.5 | 53.4 | 0 | 0 | 0 | 111.9 | K689 P690 Y693 M733 S734 E735 S740 I830 I833 M834 K855 | K689-L737 HydrophobicContact CB-CD1 4.32Å; P690-L737 HydrophobicContact CG-CD1 4.11Å; Y693-L737 HydrophobicContact CD2-CB 4.07Å; Y693-L737 HydrophobicContact CD2-CD1 3.85Å; Y693-L737 HydrophobicContact CD2-CD2 4.2Å; Y693-L737 HydrophobicContact CD2-CG 4.26Å; Y693-L737 HydrophobicContact CE2-CB 3.95Å; Y693-L737 HydrophobicContact CE2-CD1 3.99Å; Y693-L737 HydrophobicContact CE2-CG 4.47Å; M733-L737 PolarHBondContact O-N 3.33Å; S734-L737 PolarHBondContact O-N 3.37Å; E735-L737 VanDerWaalsContact C-N 3.28Å; E735-L737 PolarHBondContact O-N 2.84Å; L737-S740 WeakPolarHBondContact O-CA 3.47Å; L737-S740 PolarHBondContact O-N 3.29Å; L737-I830 HydrophobicContact CD2-CD1 3.99Å; L737-I830 HydrophobicContact CD2-CG2 4.23Å; L737-I833 HydrophobicContact CB-CG2 4.14Å; L737-I833 HydrophobicContact CD2-CB 4.33Å; L737-I833 HydrophobicContact CD2-CG2 3.82Å; L737-I833 HydrophobicContact CG-CG2 4.1Å; L737-M834 HydrophobicContact CD2-CG 4.38Å; L737-K855 HydrophobicContact CD1-CD 3.99Å |
| 738 | V | 92.7 | Very high | 93.1 | Very high | 71 Ų | 71 | 19.9 Ų | 19.9 | 43% | 0.43 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | S734 E735 S740 I833 | S734-V738 WeakPolarHBondContact O-CG2 3.32Å; S734-V738 PolarHBondContact O-N 3.02Å; E735-V738 PolarHBondContact O-N 3.41Å; V738-S740 PolarHBondContact O-N 2.79Å; V738-I833 HydrophobicContact CG2-CG2 3.82Å; V738-I833 WeakPolarHBondContact CG2-O 3.38Å |
| 739 | R | 89.3 | Confident | 93.8 | Very high | 104 Ų | 104 | 17 Ų | 17 | 39% | 0.392 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.4 | 178.1 | -59.3 | -177.3 | 69.1 | -165.3 | -4.5 | 113.2 | H728 E735 L741 | H728-R739 PolarHBondContact CD2-NH1 3.42Å; H728-R739 PolarHBondContact CD2-NH2 3.1Å; H728-R739 PolarHBondContact CE1-NH2 2.86Å; H728-R739 VanDerWaalsContact CE1-NH2 3.27Å; H728-R739 PolarHBondContact NE2-NH2 2.9Å; E735-R739 HydrophobicContact CG-CG 4.2Å; E735-R739 VanDerWaalsContact O-CB 3.32Å; E735-R739 WeakPolarHBondContact O-CB 3.37Å; E735-R739 WeakPolarHBondContact O-CG 3.48Å; E735-R739 PolarHBondContact O-N 2.9Å; E735-R739 IonicContact OE1-NH1 3.29Å; E735-R739 PolarHBondContact OE1-NH1 3.08Å; R739-L741 VanDerWaalsContact C-N 3.31Å; R739-L741 HydrophobicContact CB-CD2 4.19Å; R739-L741 HydrophobicContact CB-CG 4.02Å; R739-L741 PolarHBondContact O-N 3.02Å |
| 740 | S | 92.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 19.6 Ų | 19.6 | 15% | 0.154 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 39.8 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 113.9 | S686 K689 A736 L737 V738 K855 | S686-S740 WeakPolarHBondContact CB-OG 3.37Å; S686-S740 PolarHBondContact OG-OG 3.41Å; K689-S740 PolarHBondContact NZ-O 3.44Å; A736-S740 CarbonylContact O-C 3.51Å; A736-S740 WeakPolarHBondContact O-CA 3.37Å; A736-S740 PolarHBondContact O-N 3.18Å; L737-S740 WeakPolarHBondContact O-CA 3.47Å; L737-S740 PolarHBondContact O-N 3.29Å; V738-S740 PolarHBondContact O-N 2.79Å; S740-K855 PolarHBondContact OG-NZ 2.93Å |
| 741 | L | 92.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | trans | -68.2 | 144 | -179.1 | -58.2 | -179.4 | 0 | 0 | 0 | 111.8 | K689 D710 I731 A736 R739 P744 | K689-L741 PolarHBondContact NZ-O 3.41Å; D710-L741 HydrophobicContact CB-CD1 4.21Å; I731-L741 HydrophobicContact CD1-CD1 3.39Å; A736-L741 PolarHBondContact O-N 3.49Å; R739-L741 VanDerWaalsContact C-N 3.31Å; R739-L741 HydrophobicContact CB-CD2 4.19Å; R739-L741 HydrophobicContact CB-CG 4.02Å; R739-L741 PolarHBondContact O-N 3.02Å; L741-P744 HydrophobicContact CB-CG 4.07Å | ||
| 742 | N | 91.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 20.7 Ų | 20.7 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -84 | -44.3 | -172.1 | -72.3 | -16.7 | 0 | 0 | 0 | 111.8 | K689 G721 N722 A745 V746 L782 | K689-N742 PolarHBondContact NZ-OD1 2.87Å; G721-N742 WeakPolarHBondContact O-CB 3.37Å; G721-N742 PolarHBondContact O-ND2 2.98Å; N722-N742 PolarHBondContact OD1-N 3.46Å; N742-A745 PolarHBondContact O-N 3.04Å; N742-V746 WeakPolarHBondContact O-CG2 3.19Å; N742-V746 PolarHBondContact O-N 3.29Å; N742-L782 HydrophobicContact CB-CD1 3.95Å; N742-L782 HydrophobicContact CB-CD2 3.72Å; N742-L782 WeakPolarHBondContact OD1-CD2 3.46Å |
| 743 | L | 91.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.5 | -44.4 | -173.1 | -63.1 | -33.7 | 0 | 0 | 0 | 113.4 | D710 P720 N722 F727 A745 V746 Q747 | D710-L743 WeakPolarHBondContact OD1-CD2 3.28Å; P720-L743 HydrophobicContact CB-CD1 3.6Å; P720-L743 HydrophobicContact CG-CD1 3.49Å; P720-L743 VanDerWaalsContact CG-CD1 3.49Å; P720-L743 WeakPolarHBondContact O-CD1 3.36Å; N722-L743 HydrophobicContact CB-CD2 4.32Å; N722-L743 WeakPolarHBondContact ND2-CD2 3.47Å; N722-L743 VanDerWaalsContact OD1-CD2 3.24Å; N722-L743 WeakPolarHBondContact OD1-CD2 3.37Å; F727-L743 HydrophobicContact CD1-CD2 4.14Å; F727-L743 HydrophobicContact CE1-CD2 3.79Å; F727-L743 HydrophobicContact CE1-CG 4.37Å; L743-A745 VanDerWaalsContact C-N 3.3Å; L743-A745 PolarHBondContact O-N 3.16Å; L743-V746 PolarHBondContact O-N 3.13Å; L743-Q747 PolarHBondContact O-N 2.89Å |
| 744 | P | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 173.7 | -28.4 | 38.6 | 0 | 0 | 0 | 113.1 | L708 D710 I731 A736 L741 V746 Q747 V748 | L708-P744 HydrophobicContact CB-CB 3.85Å; L708-P744 HydrophobicContact CB-CG 4.39Å; L708-P744 HydrophobicContact CD1-CB 3.7Å; L708-P744 HydrophobicContact CG-CB 4.42Å; D710-P744 HydrophobicContact CB-CG 4.06Å; I731-P744 HydrophobicContact CG2-CG 3.9Å; A736-P744 HydrophobicContact CB-CB 3.67Å; A736-P744 HydrophobicContact CB-CG 3.88Å; L741-P744 HydrophobicContact CB-CG 4.07Å; P744-V746 PolarHBondContact O-N 3.4Å; P744-Q747 WeakPolarHBondContact O-CB 3.5Å; P744-Q747 PolarHBondContact O-N 3.46Å; P744-V748 WeakPolarHBondContact O-CG2 3.33Å; P744-V748 PolarHBondContact O-N 3.49Å |
| 745 | A | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.4 | -36.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K689 Y693 N742 L743 L749 I781 | K689-A745 HydrophobicContact CD-CB 3.84Å; K689-A745 HydrophobicContact CG-CB 3.91Å; Y693-A745 HydrophobicContact CE2-CB 4.49Å; Y693-A745 WeakPolarHBondContact OH-CA 3.42Å; Y693-A745 PolarHBondContact OH-N 2.93Å; N742-A745 PolarHBondContact O-N 3.04Å; L743-A745 VanDerWaalsContact C-N 3.3Å; L743-A745 PolarHBondContact O-N 3.16Å; A745-L749 WeakPolarHBondContact O-CB 3.29Å; A745-L749 PolarHBondContact O-N 3.43Å; A745-I781 HydrophobicContact CB-CG1 4.01Å; A745-I781 HydrophobicContact CB-CG2 4.46Å |
| 746 | V | 93.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | Y718 P720 N742 L743 P744 V748 L749 E750 L778 I781 L782 | Y718-V746 HydrophobicContact CE1-CG1 3.97Å; Y718-V746 HydrophobicContact CE1-CG2 4.16Å; P720-V746 HydrophobicContact CB-CG2 4.31Å; P720-V746 HydrophobicContact CG-CG1 4.41Å; P720-V746 HydrophobicContact CG-CG2 4.28Å; N742-V746 WeakPolarHBondContact O-CG2 3.19Å; N742-V746 PolarHBondContact O-N 3.29Å; L743-V746 PolarHBondContact O-N 3.13Å; P744-V746 PolarHBondContact O-N 3.4Å; V746-V748 PolarHBondContact O-N 3.02Å; V746-L749 PolarHBondContact O-N 2.89Å; V746-E750 WeakPolarHBondContact O-CB 3.35Å; V746-E750 PolarHBondContact O-N 3.17Å; V746-L778 HydrophobicContact CG1-CB 4.32Å; V746-L778 HydrophobicContact CG1-CD1 4.19Å; V746-I781 HydrophobicContact CG2-CG2 3.82Å; V746-L782 HydrophobicContact CG2-CD1 4.03Å; V746-L782 HydrophobicContact CG2-CD2 4.33Å; V746-L782 HydrophobicContact CG2-CG 4.13Å |
| 747 | Q | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.8 | -47.5 | 175.1 | 173.3 | -177.3 | 9 | 0 | 0 | 111.6 | L743 P744 E750 A751 L961 L963 | L743-Q747 PolarHBondContact O-N 2.89Å; P744-Q747 WeakPolarHBondContact O-CB 3.5Å; P744-Q747 PolarHBondContact O-N 3.46Å; Q747-E750 PolarHBondContact O-N 3.18Å; Q747-A751 PolarHBondContact O-N 3.14Å; Q747-L961 HydrophobicContact CG-CD2 4.13Å; Q747-L961 PolarHBondContact NE2-O 3.07Å; Q747-L963 HydrophobicContact CB-CD1 4.31Å; Q747-L963 HydrophobicContact CB-CD2 4.36Å; Q747-L963 HydrophobicContact CG-CD1 3.89Å; Q747-L963 HydrophobicContact CG-CD2 3.89Å; Q747-L963 HydrophobicContact CG-CG 3.93Å |
| 748 | V | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 178.6 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | V692 Y693 A696 I702 L708 P744 V746 E750 A751 Y752 L961 | V692-V748 HydrophobicContact CG1-CG1 4.35Å; V692-V748 HydrophobicContact CG2-CG1 4.19Å; Y693-V748 HydrophobicContact CD1-CB 4.3Å; Y693-V748 HydrophobicContact CD1-CG1 4.12Å; Y693-V748 HydrophobicContact CD1-CG2 4.04Å; Y693-V748 HydrophobicContact CE1-CB 4.14Å; Y693-V748 HydrophobicContact CE1-CG1 4.46Å; Y693-V748 HydrophobicContact CE1-CG2 3.73Å; A696-V748 HydrophobicContact CB-CG1 3.48Å; A696-V748 VanDerWaalsContact CB-CG1 3.48Å; I702-V748 HydrophobicContact CD1-CG1 3.8Å; I702-V748 HydrophobicContact CD1-CG2 3.87Å; I702-V748 HydrophobicContact CG2-CG2 4.35Å; L708-V748 HydrophobicContact CD1-CG2 3.92Å; L708-V748 HydrophobicContact CD2-CG2 3.96Å; P744-V748 WeakPolarHBondContact O-CG2 3.33Å; P744-V748 PolarHBondContact O-N 3.49Å; V746-V748 PolarHBondContact O-N 3.02Å; V748-E750 VanDerWaalsContact C-N 3.29Å; V748-E750 PolarHBondContact O-N 3.31Å; V748-A751 PolarHBondContact O-N 3.26Å; V748-Y752 WeakPolarHBondContact O-CB 3.33Å; V748-Y752 PolarHBondContact O-N 2.84Å; V748-L961 HydrophobicContact CG2-CD2 4.22Å |
| 749 | L | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -35 | 176.8 | -176.3 | 64.2 | 0 | 0 | 0 | 112.3 | V692 A745 V746 Y752 G753 P754 F757 L778 I781 | V692-L749 HydrophobicContact CG2-CB 4.09Å; V692-L749 HydrophobicContact CG2-CD1 3.75Å; A745-L749 WeakPolarHBondContact O-CB 3.29Å; A745-L749 PolarHBondContact O-N 3.43Å; V746-L749 PolarHBondContact O-N 2.89Å; L749-Y752 PolarHBondContact O-N 3.13Å; L749-G753 WeakPolarHBondContact O-CA 3.28Å; L749-G753 PolarHBondContact O-N 3.42Å; L749-P754 HydrophobicContact CD1-CB 4.42Å; L749-P754 HydrophobicContact CD2-CB 4.19Å; L749-P754 HydrophobicContact CG-CB 4.29Å; L749-F757 HydrophobicContact CD1-CB 3.71Å; L749-F757 HydrophobicContact CD1-CD1 3.83Å; L749-F757 HydrophobicContact CD1-CD2 4.48Å; L749-F757 HydrophobicContact CD1-CG 3.76Å; L749-L778 HydrophobicContact CD2-CD2 4.39Å; L749-L778 HydrophobicContact CG-CD2 4.27Å; L749-I781 HydrophobicContact CB-CB 4.35Å; L749-I781 HydrophobicContact CB-CG2 4.41Å; L749-I781 HydrophobicContact CD2-CB 3.63Å; L749-I781 HydrophobicContact CD2-CG2 3.97Å; L749-I781 HydrophobicContact CG-CB 4.5Å |
| 750 | E | 93 | Very high | 95 | Very high | 55 Ų | 55 | 28.7 Ų | 28.7 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.3 | -172.1 | 167.5 | -157 | 0 | 0 | 111.8 | R713 V746 Q747 V748 L778 L963 | R713-E750 IonicContact CZ-OE2 2.7Å; R713-E750 IonicContact NH1-OE2 3.03Å; R713-E750 PolarHBondContact NH1-OE2 2.54Å; R713-E750 IonicContact NH2-OE1 3.95Å; R713-E750 IonicContact NH2-OE2 2.95Å; R713-E750 PolarHBondContact NH2-OE2 3.41Å; V746-E750 WeakPolarHBondContact O-CB 3.35Å; V746-E750 PolarHBondContact O-N 3.17Å; Q747-E750 PolarHBondContact O-N 3.18Å; V748-E750 VanDerWaalsContact C-N 3.29Å; V748-E750 PolarHBondContact O-N 3.31Å; E750-L778 HydrophobicContact CB-CD1 4.34Å; E750-L778 HydrophobicContact CB-CD2 3.74Å; E750-L778 HydrophobicContact CG-CD1 4.27Å; E750-L778 HydrophobicContact CG-CD2 4.27Å; E750-L963 HydrophobicContact CG-CD2 4.44Å; E750-L963 VanDerWaalsContact OE2-CD2 3.27Å; E750-L963 WeakPolarHBondContact OE2-CD2 3.24Å |
| 751 | A | 93.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 27.6 Ų | 27.6 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q747 V748 L961 | Q747-A751 PolarHBondContact O-N 3.14Å; V748-A751 PolarHBondContact O-N 3.26Å; A751-L961 HydrophobicContact CB-CD1 3.75Å; A751-L961 HydrophobicContact CB-CD2 3.86Å; A751-L961 HydrophobicContact CB-CG 4.33Å |
| 752 | Y | 96 | Very high | 95.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.1 | -35.6 | -179.6 | -173.7 | -91.3 | 0 | 0 | 0 | 113.4 | L695 A696 E699 L701 V748 L749 R756 F757 | L695-Y752 HydrophobicContact CB-CD2 4.31Å; L695-Y752 HydrophobicContact CB-CE1 4.46Å; L695-Y752 HydrophobicContact CB-CE2 3.6Å; L695-Y752 HydrophobicContact CD1-CE1 4.37Å; L695-Y752 WeakPolarHBondContact O-CE2 3.48Å; A696-Y752 HydrophobicContact CB-CD2 4.49Å; E699-Y752 HydrophobicContact CG-CD2 4.31Å; E699-Y752 HydrophobicContact CG-CE2 3.72Å; L701-Y752 HydrophobicContact CD1-CD2 4.15Å; V748-Y752 WeakPolarHBondContact O-CB 3.33Å; V748-Y752 PolarHBondContact O-N 2.84Å; L749-Y752 PolarHBondContact O-N 3.13Å; Y752-R756 HydrophobicContact CD1-CB 4.46Å; Y752-R756 HydrophobicContact CE1-CB 4.04Å; Y752-R756 HydrophobicContact CE1-CG 3.83Å; Y752-F757 HydrophobicContact CD1-CB 3.88Å; Y752-F757 HydrophobicContact CE1-CB 3.92Å; Y752-F757 HydrophobicContact CE1-CD2 4.39Å |
| 753 | G | 95.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | trans | 97.2 | 119 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L749 K755 R756 F757 | L749-G753 WeakPolarHBondContact O-CA 3.28Å; L749-G753 PolarHBondContact O-N 3.42Å; G753-K755 PolarHBondContact O-N 2.81Å; G753-R756 PolarHBondContact O-N 3.28Å; G753-F757 PolarHBondContact O-N 3.07Å | ||
| 754 | P | 95.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -33.1 | -175.5 | 23.1 | -33.5 | 0 | 0 | 0 | 114.6 | L749 A758 P776 L778 | L749-P754 HydrophobicContact CD1-CB 4.42Å; L749-P754 HydrophobicContact CD2-CB 4.19Å; L749-P754 HydrophobicContact CG-CB 4.29Å; P754-A758 PolarHBondContact O-N 3.23Å; P754-P776 HydrophobicContact CB-CB 4.36Å; P754-P776 WeakPolarHBondContact O-CB 3.39Å; P754-L778 HydrophobicContact CG-CD2 4.45Å |
| 755 | K | 96.8 | Very high | 95.8 | Very high | 149 Ų | 149 | 40.8 Ų | 40.8 | 65% | 0.648 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.9 | -43.4 | 176.3 | -67.9 | -179.6 | -179.7 | 176.3 | 0 | 111.8 | G753 F757 A759 P776 | G753-K755 PolarHBondContact O-N 2.81Å; K755-F757 VanDerWaalsContact C-N 3.34Å; K755-A759 WeakPolarHBondContact O-CB 3.34Å; K755-A759 PolarHBondContact O-N 2.88Å; K755-P776 HydrophobicContact CG-CB 4.33Å; K755-P776 HydrophobicContact CG-CG 4.46Å |
| 756 | R | 97.2 | Very high | 95.9 | Very high | 111 Ų | 111 | 40.8 Ų | 40.8 | 42% | 0.419 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -44.4 | 176.3 | -172.4 | -177.9 | -174.1 | -178.7 | 3 | 110.4 | E699 Y752 G753 A759 K760 | E699-R756 VanDerWaalsContact CD-CZ 3.46Å; E699-R756 IonicContact OE1-CZ 3.39Å; E699-R756 IonicContact OE1-NH1 3.41Å; E699-R756 IonicContact OE1-NH2 3.32Å; E699-R756 PolarHBondContact OE1-NH2 2.95Å; E699-R756 IonicContact OE2-CZ 2.73Å; E699-R756 IonicContact OE2-NH1 2.73Å; E699-R756 PolarHBondContact OE2-NH1 3.29Å; E699-R756 IonicContact OE2-NH2 3.41Å; E699-R756 PolarHBondContact OE2-NH2 2.95Å; Y752-R756 HydrophobicContact CD1-CB 4.46Å; Y752-R756 HydrophobicContact CE1-CB 4.04Å; Y752-R756 HydrophobicContact CE1-CG 3.83Å; G753-R756 PolarHBondContact O-N 3.28Å; R756-A759 PolarHBondContact O-N 3.03Å; R756-K760 PolarHBondContact O-N 2.89Å |
| 757 | F | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -54.1 | 177.5 | -178 | -112.7 | 0 | 0 | 0 | 112.3 | L688 F691 V692 L695 L749 Y752 G753 K755 A759 K760 L761 L780 I781 | L688-F757 HydrophobicContact CB-CZ 4.49Å; F691-F757 HydrophobicContact CB-CE2 3.77Å; F691-F757 HydrophobicContact CB-CZ 3.98Å; V692-F757 HydrophobicContact CB-CD2 4.15Å; V692-F757 HydrophobicContact CB-CE2 3.73Å; V692-F757 HydrophobicContact CB-CZ 4.1Å; V692-F757 HydrophobicContact CG2-CD2 4.08Å; V692-F757 HydrophobicContact CG2-CE2 4.17Å; L695-F757 HydrophobicContact CD1-CD2 3.71Å; L695-F757 HydrophobicContact CD1-CE2 3.92Å; L749-F757 HydrophobicContact CD1-CB 3.71Å; L749-F757 HydrophobicContact CD1-CD1 3.83Å; L749-F757 HydrophobicContact CD1-CD2 4.48Å; L749-F757 HydrophobicContact CD1-CG 3.76Å; Y752-F757 HydrophobicContact CD1-CB 3.88Å; Y752-F757 HydrophobicContact CE1-CB 3.92Å; Y752-F757 HydrophobicContact CE1-CD2 4.39Å; G753-F757 PolarHBondContact O-N 3.07Å; K755-F757 VanDerWaalsContact C-N 3.34Å; F757-A759 VanDerWaalsContact C-N 3.28Å; F757-A759 PolarHBondContact O-N 2.03Å; F757-K760 PolarHBondContact O-N 2.77Å; F757-L761 HydrophobicContact CD1-CD1 4.18Å; F757-L761 HydrophobicContact CE1-CD1 3.6Å; F757-L761 HydrophobicContact CE1-CG 4.49Å; F757-L761 HydrophobicContact CE2-CD1 4.13Å; F757-L761 HydrophobicContact CE2-CD2 4.41Å; F757-L761 HydrophobicContact CE2-CG 4.31Å; F757-L761 HydrophobicContact CZ-CD1 3.58Å; F757-L761 HydrophobicContact CZ-CG 4.25Å; F757-L761 WeakPolarHBondContact O-CG 3.34Å; F757-L761 PolarHBondContact O-N 2.89Å; F757-L761 VanDerWaalsContact O-N 3.09Å; F757-L780 HydrophobicContact CD1-CD2 3.45Å; F757-L780 VanDerWaalsContact CD1-CD2 3.45Å; F757-L780 HydrophobicContact CE1-CD2 3.39Å; F757-I781 HydrophobicContact CE1-CD1 4.17Å; F757-I781 HydrophobicContact CZ-CD1 4.13Å |
| 758 | A | 97.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P754 R762 P776 L780 | P754-A758 PolarHBondContact O-N 3.23Å; A758-R762 WeakPolarHBondContact O-CB 3.32Å; A758-R762 PolarHBondContact O-N 2.81Å; A758-P776 HydrophobicContact CB-CB 3.94Å; A758-P776 HydrophobicContact CB-CG 3.76Å; A758-L780 HydrophobicContact CB-CD1 4.15Å |
| 759 | A | 96.9 | Very high | 96.1 | Very high | 46 Ų | 46 | 48 Ų | 48 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K755 R756 F757 R762 N763 | K755-A759 WeakPolarHBondContact O-CB 3.34Å; K755-A759 PolarHBondContact O-N 2.88Å; R756-A759 PolarHBondContact O-N 3.03Å; F757-A759 VanDerWaalsContact C-N 3.28Å; F757-A759 PolarHBondContact O-N 2.03Å; A759-R762 PolarHBondContact O-N 3.24Å; A759-N763 PolarHBondContact O-N 2.93Å |
| 760 | K | 97.3 | Very high | 96 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.4 | -80.5 | -78.4 | -170.7 | 166.4 | 0 | 111.9 | L695 R756 F757 N763 | L695-K760 HydrophobicContact CD1-CB 4.18Å; R756-K760 PolarHBondContact O-N 2.89Å; F757-K760 PolarHBondContact O-N 2.77Å; K760-N763 WeakPolarHBondContact O-CB 3.43Å; K760-N763 PolarHBondContact O-N 2.9Å |
| 761 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.4 | -64 | -175.2 | 0 | 0 | 0 | 112 | L688 F691 F757 N763 V764 G765 L766 L768 L821 | L688-L761 HydrophobicContact CD2-CD1 4Å; F691-L761 HydrophobicContact CB-CD2 3.97Å; F691-L761 HydrophobicContact CD1-CD2 4.33Å; F691-L761 HydrophobicContact CD2-CD2 4.26Å; F691-L761 HydrophobicContact CG-CD2 3.94Å; F757-L761 HydrophobicContact CD1-CD1 4.18Å; F757-L761 HydrophobicContact CE1-CD1 3.6Å; F757-L761 HydrophobicContact CE1-CG 4.49Å; F757-L761 HydrophobicContact CE2-CD1 4.13Å; F757-L761 HydrophobicContact CE2-CD2 4.41Å; F757-L761 HydrophobicContact CE2-CG 4.31Å; F757-L761 HydrophobicContact CZ-CD1 3.58Å; F757-L761 HydrophobicContact CZ-CG 4.25Å; F757-L761 WeakPolarHBondContact O-CG 3.34Å; F757-L761 PolarHBondContact O-N 2.89Å; F757-L761 VanDerWaalsContact O-N 3.09Å; L761-N763 VanDerWaalsContact C-N 3.27Å; L761-N763 PolarHBondContact O-N 3.21Å; L761-V764 VanDerWaalsContact O-CG2 3.23Å; L761-V764 WeakPolarHBondContact O-CG2 3.43Å; L761-V764 PolarHBondContact O-N 3.37Å; L761-G765 PolarHBondContact O-N 2.88Å; L761-L766 CarbonylContact C-O 3.55Å; L761-L766 HydrophobicContact CB-CB 4.23Å; L761-L766 HydrophobicContact CB-CD2 4.46Å; L761-L766 HydrophobicContact CB-CG 4.38Å; L761-L766 WeakPolarHBondContact CB-O 3.49Å; L761-L766 HydrophobicContact CD1-CD2 4.2Å; L761-L766 HydrophobicContact CD2-CD2 4.27Å; L761-L766 CarbonylContact O-C 3.57Å; L761-L766 PolarHBondContact O-N 3.41Å; L761-L768 HydrophobicContact CD1-CD1 3.86Å; L761-L768 HydrophobicContact CD1-CG 4.35Å; L761-L821 HydrophobicContact CD2-CD1 4.25Å |
| 762 | R | 96.7 | Very high | 95.4 | Very high | 174 Ų | 174 | 58.6 Ų | 58.6 | 66% | 0.657 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.8 | -38.8 | 175.6 | -174.8 | 179.7 | 68.1 | 176.8 | 1.5 | 112.1 | A758 A759 V764 G765 L766 P767 | A758-R762 WeakPolarHBondContact O-CB 3.32Å; A758-R762 PolarHBondContact O-N 2.81Å; A759-R762 PolarHBondContact O-N 3.24Å; R762-V764 PolarHBondContact O-N 2.92Å; R762-G765 PolarHBondContact O-N 2.96Å; R762-L766 PolarHBondContact N-O 2.79Å; R762-P767 HydrophobicContact CG-CB 4.5Å |
| 763 | N | 95.5 | Very high | 94.9 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.2 | -32.6 | -179.4 | -173.8 | 55.1 | 0 | 0 | 0 | 112.5 | A759 K760 L761 R819 | A759-N763 PolarHBondContact O-N 2.93Å; K760-N763 WeakPolarHBondContact O-CB 3.43Å; K760-N763 PolarHBondContact O-N 2.9Å; L761-N763 VanDerWaalsContact C-N 3.27Å; L761-N763 PolarHBondContact O-N 3.21Å; N763-R819 WeakPolarHBondContact O-CD 3.28Å; N763-R819 PolarHBondContact O-NH1 3.1Å |
| 764 | V | 96.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 6.4 | -178.7 | -58.1 | 0 | 0 | 0 | 0 | 114.3 | L761 R762 A805 R819 L821 | L761-V764 VanDerWaalsContact O-CG2 3.23Å; L761-V764 WeakPolarHBondContact O-CG2 3.43Å; L761-V764 PolarHBondContact O-N 3.37Å; R762-V764 PolarHBondContact O-N 2.92Å; V764-A805 HydrophobicContact CB-CB 4.02Å; V764-A805 HydrophobicContact CG2-CB 4.27Å; V764-R819 HydrophobicContact CB-CB 4.49Å; V764-R819 HydrophobicContact CG1-CB 4.05Å; V764-L821 HydrophobicContact CG1-CB 3.93Å; V764-L821 HydrophobicContact CG1-CD1 4.04Å; V764-L821 HydrophobicContact CG2-CD1 3.9Å; V764-L821 HydrophobicContact CG2-CD2 4.25Å; V764-L821 HydrophobicContact CG2-CG 4.44Å |
| 765 | G | 95.5 | Very high | 94.4 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 14 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L761 R762 P767 | L761-G765 PolarHBondContact O-N 2.88Å; R762-G765 PolarHBondContact O-N 2.96Å; G765-P767 WeakPolarHBondContact O-CD 3.3Å |
| 766 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -108.6 | 75.9 | 170.6 | -179.2 | 58.4 | 0 | 0 | 0 | 110.8 | L688 F691 L761 R762 L768 A787 D791 M792 A795 | L688-L766 HydrophobicContact CD2-CD2 4.34Å; F691-L766 HydrophobicContact CE2-CD2 4.12Å; L761-L766 CarbonylContact C-O 3.55Å; L761-L766 HydrophobicContact CB-CB 4.23Å; L761-L766 HydrophobicContact CB-CD2 4.46Å; L761-L766 HydrophobicContact CB-CG 4.38Å; L761-L766 WeakPolarHBondContact CB-O 3.49Å; L761-L766 HydrophobicContact CD1-CD2 4.2Å; L761-L766 HydrophobicContact CD2-CD2 4.27Å; L761-L766 CarbonylContact O-C 3.57Å; L761-L766 PolarHBondContact O-N 3.41Å; R762-L766 PolarHBondContact N-O 2.79Å; L766-L768 HydrophobicContact CG-CD2 4.38Å; L766-L768 PolarHBondContact O-N 3.37Å; L766-A787 HydrophobicContact CD1-CB 4.24Å; L766-D791 HydrophobicContact CD1-CB 3.67Å; L766-M792 HydrophobicContact CD1-CE 4.17Å; L766-M792 HydrophobicContact CD2-CE 4.12Å; L766-M792 HydrophobicContact CD2-SD 3.96Å; L766-A795 HydrophobicContact CB-CB 4.08Å; L766-A795 HydrophobicContact CD2-CB 3.77Å; L766-A795 HydrophobicContact CG-CB 4.46Å | ||
| 767 | P | 95.5 | Very high | 94 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | trans | -69.2 | 130.7 | 173.3 | 30.6 | -33.7 | 0 | 0 | 0 | 110.1 | R762 G765 Y769 | R762-P767 HydrophobicContact CG-CB 4.5Å; G765-P767 WeakPolarHBondContact O-CD 3.3Å; P767-Y769 HydrophobicContact CG-CE2 4.31Å; P767-Y769 WeakPolarHBondContact O-CE2 3.45Å | ||
| 768 | L | 96.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | trans | -94.1 | 127.2 | 173.5 | -61.1 | -178.7 | 0 | 0 | 0 | 110 | L688 L761 L766 L780 A785 G786 A787 | L688-L768 HydrophobicContact CD1-CD1 4.32Å; L688-L768 HydrophobicContact CD1-CD2 4.36Å; L688-L768 HydrophobicContact CD2-CD2 4.16Å; L761-L768 HydrophobicContact CD1-CD1 3.86Å; L761-L768 HydrophobicContact CD1-CG 4.35Å; L766-L768 HydrophobicContact CG-CD2 4.38Å; L766-L768 PolarHBondContact O-N 3.37Å; L768-L780 HydrophobicContact CD1-CD1 3.66Å; L768-L780 HydrophobicContact CD1-CD2 3.6Å; L768-L780 HydrophobicContact CD1-CG 3.79Å; L768-A785 HydrophobicContact CB-CB 4.02Å; L768-G786 WeakPolarHBondContact CA-O 3.46Å; L768-A787 HydrophobicContact CD2-CB 4.17Å | ||
| 769 | Y | 96 | Very high | 93.4 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -90.4 | 109.9 | -176.8 | -60.3 | -94.6 | 0 | 0 | 0 | 109.5 | I681 P767 A785 G786 K788 | I681-Y769 HydrophobicContact CD1-CD1 3.58Å; I681-Y769 HydrophobicContact CD1-CD2 4.15Å; I681-Y769 HydrophobicContact CD1-CE1 3.71Å; I681-Y769 HydrophobicContact CD1-CE2 4.28Å; I681-Y769 HydrophobicContact CD1-CG 3.82Å; I681-Y769 HydrophobicContact CG1-CD1 4.37Å; I681-Y769 HydrophobicContact CG1-CD2 4.05Å; I681-Y769 HydrophobicContact CG1-CE1 4.4Å; I681-Y769 HydrophobicContact CG1-CE2 4.1Å; I681-Y769 HydrophobicContact CG1-CG 4.2Å; I681-Y769 HydrophobicContact CG2-CD2 3.95Å; I681-Y769 HydrophobicContact CG2-CG 3.96Å; P767-Y769 HydrophobicContact CG-CE2 4.31Å; P767-Y769 WeakPolarHBondContact O-CE2 3.45Å; Y769-A785 CarbonylContact O-C 3.52Å; Y769-G786 WeakPolarHBondContact CD2-O 3.47Å; Y769-G786 PolarHBondContact N-O 3Å; Y769-G786 PolarHBondContact O-N 2.84Å; Y769-K788 HydrophobicContact CE2-CG 4.42Å |
| 770 | L | 93.7 | Very high | 93.2 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 156.6 | 178.7 | -63.6 | 170.1 | 0 | 0 | 0 | 110.6 | P776 A785 | L770-P776 HydrophobicContact CD1-CG 3.83Å; L770-A785 HydrophobicContact CD2-CB 3.73Å |
| 771 | P | 87.3 | Confident | 93.1 | Very high | 94 Ų | 94 | 54 Ų | 54 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 151.4 | 168.5 | -23.3 | 33.5 | 0 | 0 | 0 | 111.4 | G773 G774 | P771-G773 PolarHBondContact O-N 2.88Å; P771-G774 WeakPolarHBondContact O-CA 3.06Å; P771-G774 PolarHBondContact O-N 3.33Å |
| 772 | N | 85.9 | Confident | 92.7 | Very high | 176 Ų | 176 | 55.6 Ų | 55.6 | 94% | 0.941 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 125.3 | 179.2 | -70 | -15.9 | 0 | 0 | 0 | 111.1 | G774 | N772-G774 PolarHBondContact O-N 2.8Š|
| 773 | G | 86.2 | Confident | 92.4 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 95% | 0.948 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -3.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P771 | P771-G773 PolarHBondContact O-N 2.88Š|
| 774 | G | 87.3 | Confident | 92.2 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | -72.9 | 140 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | P771 N772 | P771-G774 WeakPolarHBondContact O-CA 3.06Å; P771-G774 PolarHBondContact O-N 3.33Å; N772-G774 PolarHBondContact O-N 2.8Å | ||
| 775 | A | 91.9 | Very high | 92 | Very high | 54 Ų | 54 | 45 Ų | 45 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | trans | -105.8 | 150.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N777 | A775-N777 PolarHBondContact O-N 3.36Å; A775-N777 PolarHBondContact O-ND2 3.42Å | ||
| 776 | P | 93.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | trans | -54.5 | 126 | 173.7 | -23 | 30.8 | 0 | 0 | 0 | 111.4 | P754 K755 A758 L770 L780 | P754-P776 HydrophobicContact CB-CB 4.36Å; P754-P776 WeakPolarHBondContact O-CB 3.39Å; K755-P776 HydrophobicContact CG-CB 4.33Å; K755-P776 HydrophobicContact CG-CG 4.46Å; A758-P776 HydrophobicContact CB-CB 3.94Å; A758-P776 HydrophobicContact CB-CG 3.76Å; L770-P776 HydrophobicContact CD1-CG 3.83Å; P776-L780 HydrophobicContact CB-CD1 4.04Å | ||
| 777 | N | 92.2 | Very high | 92.1 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | trans | -138.8 | -179.2 | 179.9 | 65.1 | 60.7 | 0 | 0 | 0 | 110.4 | A775 S779 L780 | A775-N777 PolarHBondContact O-N 3.36Å; A775-N777 PolarHBondContact O-ND2 3.42Å; N777-S779 PolarHBondContact O-N 3.37Å; N777-S779 VanDerWaalsContact OD1-CB 3.3Å; N777-S779 WeakPolarHBondContact OD1-CB 3.49Å; N777-S779 PolarHBondContact OD1-N 3.02Å; N777-S779 PolarHBondContact OD1-OG 2.95Å; N777-L780 WeakPolarHBondContact O-CB 3.21Å; N777-L780 PolarHBondContact O-N 3.07Å; N777-L780 VanDerWaalsContact O-N 3.14Å | ||
| 778 | L | 92.2 | Very high | 92.2 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.12 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -63.2 | -22.4 | -173.8 | -61.2 | -179.5 | 0 | 0 | 0 | 114.7 | Y718 V746 L749 E750 P754 L780 I781 | Y718-L778 HydrophobicContact CD1-CB 4.09Å; Y718-L778 HydrophobicContact CD1-CD1 4.44Å; Y718-L778 HydrophobicContact CE1-CB 3.77Å; V746-L778 HydrophobicContact CG1-CB 4.32Å; V746-L778 HydrophobicContact CG1-CD1 4.19Å; L749-L778 HydrophobicContact CD2-CD2 4.39Å; L749-L778 HydrophobicContact CG-CD2 4.27Å; E750-L778 HydrophobicContact CB-CD1 4.34Å; E750-L778 HydrophobicContact CB-CD2 3.74Å; E750-L778 HydrophobicContact CG-CD1 4.27Å; E750-L778 HydrophobicContact CG-CD2 4.27Å; P754-L778 HydrophobicContact CG-CD2 4.45Å; L778-L780 PolarHBondContact O-N 3.33Å; L778-I781 WeakPolarHBondContact O-CG2 3.41Å |
| 779 | S | 90.7 | Very high | 92.3 | Very high | 33 Ų | 33 | 42.7 Ų | 42.7 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -66.7 | -20.2 | 177 | 71.1 | 0 | 0 | 0 | 0 | 113 | N777 I781 L782 G783 G784 | N777-S779 PolarHBondContact O-N 3.37Å; N777-S779 VanDerWaalsContact OD1-CB 3.3Å; N777-S779 WeakPolarHBondContact OD1-CB 3.49Å; N777-S779 PolarHBondContact OD1-N 3.02Å; N777-S779 PolarHBondContact OD1-OG 2.95Å; S779-I781 VanDerWaalsContact C-N 3.29Å; S779-I781 PolarHBondContact O-N 3.06Å; S779-L782 CarbonylContact O-C 3.58Å; S779-L782 PolarHBondContact O-N 2.96Å; S779-G783 PolarHBondContact O-N 3.35Å; S779-G784 WeakPolarHBondContact O-CA 3.34Å; S779-G784 PolarHBondContact O-N 3.28Å |
| 780 | L | 93.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -56.8 | -40.9 | -178.3 | -177.1 | 154.9 | 0 | 0 | 0 | 112 | L688 F757 A758 L768 P776 N777 L778 L782 G783 A785 | L688-L780 HydrophobicContact CD1-CD2 4.05Å; L688-L780 WeakPolarHBondContact CD1-O 3.41Å; F757-L780 HydrophobicContact CD1-CD2 3.45Å; F757-L780 VanDerWaalsContact CD1-CD2 3.45Å; F757-L780 HydrophobicContact CE1-CD2 3.39Å; A758-L780 HydrophobicContact CB-CD1 4.15Å; L768-L780 HydrophobicContact CD1-CD1 3.66Å; L768-L780 HydrophobicContact CD1-CD2 3.6Å; L768-L780 HydrophobicContact CD1-CG 3.79Å; P776-L780 HydrophobicContact CB-CD1 4.04Å; N777-L780 WeakPolarHBondContact O-CB 3.21Å; N777-L780 PolarHBondContact O-N 3.07Å; N777-L780 VanDerWaalsContact O-N 3.14Å; L778-L780 PolarHBondContact O-N 3.33Å; L780-L782 PolarHBondContact O-N 2.77Å; L780-G783 PolarHBondContact O-N 2.85Å; L780-A785 HydrophobicContact CG-CB 4.31Å |
| 781 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -67.3 | -18.1 | -179 | -158.4 | 57.5 | 0 | 0 | 0 | 113.6 | L688 K689 V692 A745 V746 L749 F757 L778 S779 | L688-I781 HydrophobicContact CB-CD1 4.01Å; K689-I781 HydrophobicContact CG-CD1 4.33Å; K689-I781 HydrophobicContact CG-CG1 4.1Å; V692-I781 HydrophobicContact CB-CD1 3.75Å; V692-I781 HydrophobicContact CG1-CD1 3.56Å; V692-I781 HydrophobicContact CG1-CG1 4Å; A745-I781 HydrophobicContact CB-CG1 4.01Å; A745-I781 HydrophobicContact CB-CG2 4.46Å; V746-I781 HydrophobicContact CG2-CG2 3.82Å; L749-I781 HydrophobicContact CB-CB 4.35Å; L749-I781 HydrophobicContact CB-CG2 4.41Å; L749-I781 HydrophobicContact CD2-CB 3.63Å; L749-I781 HydrophobicContact CD2-CG2 3.97Å; L749-I781 HydrophobicContact CG-CB 4.5Å; F757-I781 HydrophobicContact CE1-CD1 4.17Å; F757-I781 HydrophobicContact CZ-CD1 4.13Å; L778-I781 WeakPolarHBondContact O-CG2 3.41Å; S779-I781 VanDerWaalsContact C-N 3.29Å; S779-I781 PolarHBondContact O-N 3.06Å |
| 782 | L | 90.9 | Very high | 93 | Very high | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -102.8 | 11.3 | 176.8 | -52.5 | -169.6 | 0 | 0 | 0 | 112.3 | Y718 P720 N742 V746 S779 L780 | Y718-L782 VanDerWaalsContact OH-CD1 3.22Å; Y718-L782 WeakPolarHBondContact OH-CD1 3.48Å; P720-L782 HydrophobicContact CB-CD1 3.91Å; N742-L782 HydrophobicContact CB-CD1 3.95Å; N742-L782 HydrophobicContact CB-CD2 3.72Å; N742-L782 WeakPolarHBondContact OD1-CD2 3.46Å; V746-L782 HydrophobicContact CG2-CD1 4.03Å; V746-L782 HydrophobicContact CG2-CD2 4.33Å; V746-L782 HydrophobicContact CG2-CG 4.13Å; S779-L782 CarbonylContact O-C 3.58Å; S779-L782 PolarHBondContact O-N 2.96Å; L780-L782 PolarHBondContact O-N 2.77Å |
| 783 | G | 88.9 | Confident | 93.6 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 17.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S683 S779 L780 A785 | S683-G783 WeakPolarHBondContact OG-CA 3.36Å; S683-G783 PolarHBondContact OG-O 3.12Å; S779-G783 PolarHBondContact O-N 3.35Å; L780-G783 PolarHBondContact O-N 2.85Å; G783-A785 PolarHBondContact O-N 3.36Å |
| 784 | G | 90.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 21.8 Ų | 21.8 | 33% | 0.33 | 15% | 0.149 | S | C | . | . | trans | -67 | 20.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S779 | S779-G784 WeakPolarHBondContact O-CA 3.34Å; S779-G784 PolarHBondContact O-N 3.28Å | ||
| 785 | A | 93.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 5% | 0.05 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -145.2 | 160.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | P684 L768 Y769 L770 L780 G783 | P684-A785 WeakPolarHBondContact CD-O 3.39Å; L768-A785 HydrophobicContact CB-CB 4.02Å; Y769-A785 CarbonylContact O-C 3.52Å; L770-A785 HydrophobicContact CD2-CB 3.73Å; L780-A785 HydrophobicContact CG-CB 4.31Å; G783-A785 PolarHBondContact O-N 3.36Å |
| 786 | G | 95.7 | Very high | 95 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -91.5 | 154 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R682 L768 Y769 | R682-G786 CarbonylContact O-C 3.55Å; R682-G786 VanDerWaalsContact O-CA 3.31Å; R682-G786 WeakPolarHBondContact O-CA 3.12Å; L768-G786 WeakPolarHBondContact CA-O 3.46Å; Y769-G786 WeakPolarHBondContact CD2-O 3.47Å; Y769-G786 PolarHBondContact N-O 3Å; Y769-G786 PolarHBondContact O-N 2.84Å |
| 787 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -146.6 | 161.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | R682 P684 L766 L768 M792 | R682-A787 PolarHBondContact N-O 3.28Å; R682-A787 PolarHBondContact O-N 3.19Å; P684-A787 HydrophobicContact CB-CB 4.23Å; P684-A787 HydrophobicContact CG-CB 4.11Å; L766-A787 HydrophobicContact CD1-CB 4.24Å; L768-A787 HydrophobicContact CD2-CB 4.17Å; A787-M792 HydrophobicContact CB-CE 3.94Å |
| 788 | K | 97.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 12 Ų | 12 | 20% | 0.196 | 8% | 0.078 | C | C | . | . | trans | -93.7 | 154.1 | 169.8 | -61.5 | -178.2 | 175.5 | 180 | 0 | 110.8 | N679 I681 Y769 E790 D791 M792 | N679-K788 WeakPolarHBondContact O-CD 3.32Å; N679-K788 WeakPolarHBondContact O-CE 3.25Å; N679-K788 WeakPolarHBondContact O-CG 3.44Å; I681-K788 HydrophobicContact CG1-CG 4.41Å; Y769-K788 HydrophobicContact CE2-CG 4.42Å; K788-E790 HydrophobicContact CB-CG 3.95Å; K788-E790 HydrophobicContact CD-CG 4.02Å; K788-E790 VanDerWaalsContact CD-OE1 3.29Å; K788-E790 WeakPolarHBondContact CD-OE1 3.35Å; K788-E790 IonicContact NZ-OE1 3.66Å; K788-E790 PolarHBondContact NZ-OE1 2.83Å; K788-D791 HydrophobicContact CB-CB 4.33Å; K788-M792 WeakPolarHBondContact O-CB 3.48Å; K788-M792 PolarHBondContact O-N 2.84Å; K788-M792 VanDerWaalsContact O-N 3.08Å | ||
| 789 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.8 | -36 | 176.9 | 179.8 | 65.3 | 0 | 0 | 0 | 112.5 | A646 I648 V678 M792 A793 W866 I868 W879 | A646-L789 HydrophobicContact CB-CD2 4.07Å; I648-L789 HydrophobicContact CG2-CD1 4.42Å; I648-L789 HydrophobicContact CG2-CD2 4.23Å; I648-L789 HydrophobicContact CG2-CG 3.87Å; V678-L789 HydrophobicContact CG1-CB 4.39Å; V678-L789 HydrophobicContact CG2-CD2 4.25Å; V678-L789 PolarHBondContact O-N 2.9Å; L789-M792 PolarHBondContact O-N 3.38Å; L789-A793 WeakPolarHBondContact O-CB 3.19Å; L789-A793 PolarHBondContact O-N 3.09Å; L789-W866 HydrophobicContact CB-CH2 3.96Å; L789-W866 HydrophobicContact CB-CZ3 3.54Å; L789-W866 HydrophobicContact CD1-CE3 3.57Å; L789-W866 HydrophobicContact CD1-CH2 4.47Å; L789-W866 HydrophobicContact CD1-CZ3 3.3Å; L789-W866 HydrophobicContact CG-CZ3 3.98Å; L789-I868 HydrophobicContact CD1-CD1 3.62Å; L789-W879 HydrophobicContact CD2-CB 4.15Å |
| 790 | E | 97.8 | Very high | 96 | Very high | 20 Ų | 20 | 9.8 Ų | 9.8 | 9% | 0.093 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58 | -48.8 | 172.5 | 54.1 | 166.2 | -177.9 | 0 | 0 | 112.2 | I648 W660 V678 N679 K788 M792 A793 A794 L808 | I648-E790 HydrophobicContact CD1-CB 4.18Å; W660-E790 HydrophobicContact CH2-CB 4.04Å; W660-E790 HydrophobicContact CH2-CG 4.5Å; W660-E790 HydrophobicContact CZ3-CB 4.4Å; V678-E790 HydrophobicContact CG1-CB 4.05Å; V678-E790 PolarHBondContact O-N 3.47Å; N679-E790 PolarHBondContact OD1-OE1 2.9Å; N679-E790 PolarHBondContact OD1-OE2 3.07Å; K788-E790 HydrophobicContact CB-CG 3.95Å; K788-E790 HydrophobicContact CD-CG 4.02Å; K788-E790 VanDerWaalsContact CD-OE1 3.29Å; K788-E790 WeakPolarHBondContact CD-OE1 3.35Å; K788-E790 IonicContact NZ-OE1 3.66Å; K788-E790 PolarHBondContact NZ-OE1 2.83Å; E790-M792 VanDerWaalsContact C-N 3.34Å; E790-M792 PolarHBondContact O-N 2.86Å; E790-A793 PolarHBondContact O-N 2.98Å; E790-A794 WeakPolarHBondContact O-CB 3.44Å; E790-A794 PolarHBondContact O-N 3.17Å; E790-L808 HydrophobicContact CB-CD1 4.02Å |
| 791 | D | 97.7 | Very high | 96.1 | Very high | 27 Ų | 27 | 11.4 Ų | 11.4 | 14% | 0.144 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | -178 | -63.4 | -26.3 | 0 | 0 | 0 | 110.8 | L766 K788 A794 A795 | L766-D791 HydrophobicContact CD1-CB 3.67Å; K788-D791 HydrophobicContact CB-CB 4.33Å; D791-A794 PolarHBondContact O-N 2.93Å; D791-A795 WeakPolarHBondContact O-CB 3.32Å; D791-A795 PolarHBondContact O-N 2.7Å |
| 792 | M | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 176.3 | -167.6 | 63.6 | 65.5 | 0 | 0 | 111.2 | P684 V687 L688 F691 L766 A787 K788 L789 E790 A794 A795 Y796 I868 | P684-M792 HydrophobicContact CB-CE 3.62Å; P684-M792 HydrophobicContact CG-CE 4.33Å; V687-M792 HydrophobicContact CG2-CE 3.68Å; V687-M792 HydrophobicContact CG2-CG 4.14Å; V687-M792 HydrophobicContact CG2-SD 3.86Å; L688-M792 HydrophobicContact CD2-CE 3.78Å; L688-M792 HydrophobicContact CD2-SD 4.44Å; L688-M792 HydrophobicContact CG-CE 4.45Å; F691-M792 HydrophobicContact CE2-SD 3.78Å; F691-M792 HydrophobicContact CZ-SD 4.42Å; L766-M792 HydrophobicContact CD1-CE 4.17Å; L766-M792 HydrophobicContact CD2-CE 4.12Å; L766-M792 HydrophobicContact CD2-SD 3.96Å; A787-M792 HydrophobicContact CB-CE 3.94Å; K788-M792 WeakPolarHBondContact O-CB 3.48Å; K788-M792 PolarHBondContact O-N 2.84Å; K788-M792 VanDerWaalsContact O-N 3.08Å; L789-M792 PolarHBondContact O-N 3.38Å; E790-M792 VanDerWaalsContact C-N 3.34Å; E790-M792 PolarHBondContact O-N 2.86Å; M792-A794 VanDerWaalsContact C-N 3.3Å; M792-A794 PolarHBondContact O-N 3.45Å; M792-A795 PolarHBondContact O-N 3.27Å; M792-Y796 HydrophobicContact CG-CD2 3.89Å; M792-Y796 HydrophobicContact CG-CE2 3.87Å; M792-Y796 VanDerWaalsContact O-CD2 3.32Å; M792-Y796 WeakPolarHBondContact O-CD2 3.19Å; M792-Y796 PolarHBondContact O-N 3.39Å; M792-Y796 HydrophobicContact SD-CD2 3.91Å; M792-Y796 HydrophobicContact SD-CE2 3.63Å; M792-I868 HydrophobicContact CG-CD1 4.12Å; M792-I868 HydrophobicContact CG-CG1 4.02Å |
| 793 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I648 V650 L789 E790 Y796 T797 V875 | I648-A793 HydrophobicContact CG2-CB 3.68Å; V650-A793 HydrophobicContact CG2-CB 4.28Å; L789-A793 WeakPolarHBondContact O-CB 3.19Å; L789-A793 PolarHBondContact O-N 3.09Å; E790-A793 PolarHBondContact O-N 2.98Å; A793-Y796 PolarHBondContact O-N 2.9Å; A793-T797 WeakPolarHBondContact O-CG2 3.41Å; A793-T797 PolarHBondContact O-N 3.18Å; A793-V875 HydrophobicContact CB-CG1 4.28Å |
| 794 | A | 98 | Very high | 96.8 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E790 D791 M792 T797 L808 | E790-A794 WeakPolarHBondContact O-CB 3.44Å; E790-A794 PolarHBondContact O-N 3.17Å; D791-A794 PolarHBondContact O-N 2.93Å; M792-A794 VanDerWaalsContact C-N 3.3Å; M792-A794 PolarHBondContact O-N 3.45Å; A794-T797 WeakPolarHBondContact O-CB 3.35Å; A794-T797 WeakPolarHBondContact O-CG2 3.31Å; A794-T797 PolarHBondContact O-N 3.18Å; A794-T797 PolarHBondContact O-OG1 3.46Å; A794-L808 HydrophobicContact CB-CD1 4.38Å; A794-L808 HydrophobicContact CB-CD2 3.79Å; A794-L808 HydrophobicContact CB-CG 3.83Å |
| 795 | A | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F691 L766 D791 M792 T797 A798 | F691-A795 HydrophobicContact CE1-CB 4.08Å; F691-A795 HydrophobicContact CZ-CB 3.67Å; L766-A795 HydrophobicContact CB-CB 4.08Å; L766-A795 HydrophobicContact CD2-CB 3.77Å; L766-A795 HydrophobicContact CG-CB 4.46Å; D791-A795 WeakPolarHBondContact O-CB 3.32Å; D791-A795 PolarHBondContact O-N 2.7Å; M792-A795 PolarHBondContact O-N 3.27Å; A795-T797 PolarHBondContact O-N 3.2Å; A795-A798 VanDerWaalsContact O-CB 3.24Å; A795-A798 WeakPolarHBondContact O-CB 3.27Å; A795-A798 PolarHBondContact O-N 3.16Å |
| 796 | Y | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.8 | -20.4 | 177.6 | -96.8 | -102.8 | 0 | 0 | 0 | 113.4 | V687 P690 F691 M792 A793 A798 F799 M834 K855 I868 V870 | V687-Y796 WeakPolarHBondContact CA-OH 3.26Å; V687-Y796 HydrophobicContact CB-CE2 4.28Å; V687-Y796 WeakPolarHBondContact CB-OH 3.46Å; V687-Y796 WeakPolarHBondContact O-CE2 3.43Å; V687-Y796 PolarHBondContact O-OH 2.76Å; P690-Y796 HydrophobicContact CG-CE1 4.48Å; F691-Y796 AromaticContact CE2-CD2 3.86Å; F691-Y796 HydrophobicContact CE2-CD2 3.86Å; F691-Y796 AromaticContact CE2-CE2 3.62Å; F691-Y796 HydrophobicContact CE2-CE2 3.62Å; F691-Y796 AromaticContact CZ-CD2 3.47Å; F691-Y796 HydrophobicContact CZ-CD2 3.47Å; F691-Y796 VanDerWaalsContact CZ-CD2 3.47Å; F691-Y796 AromaticContact CZ-CE2 3.72Å; F691-Y796 HydrophobicContact CZ-CE2 3.72Å; F691-Y796 HydrophobicContact CZ-CG 4.2Å; M792-Y796 HydrophobicContact CG-CD2 3.89Å; M792-Y796 HydrophobicContact CG-CE2 3.87Å; M792-Y796 VanDerWaalsContact O-CD2 3.32Å; M792-Y796 WeakPolarHBondContact O-CD2 3.19Å; M792-Y796 PolarHBondContact O-N 3.39Å; M792-Y796 HydrophobicContact SD-CD2 3.91Å; M792-Y796 HydrophobicContact SD-CE2 3.63Å; A793-Y796 PolarHBondContact O-N 2.9Å; Y796-A798 PolarHBondContact O-N 3.46Å; Y796-A798 VanDerWaalsContact O-N 3.16Å; Y796-F799 AromaticContact CD1-CD2 3.79Å; Y796-F799 HydrophobicContact CD1-CD2 3.79Å; Y796-F799 AromaticContact CD1-CE2 3.88Å; Y796-F799 HydrophobicContact CD1-CE2 3.88Å; Y796-F799 HydrophobicContact CE1-CD2 4.32Å; Y796-F799 HydrophobicContact CE1-CE2 4.08Å; Y796-F799 HydrophobicContact CG-CD2 4.24Å; Y796-F799 HydrophobicContact CG-CE2 4.22Å; Y796-F799 WeakPolarHBondContact O-CD2 3.45Å; Y796-F799 PolarHBondContact O-N 3.5Å; Y796-F799 VanDerWaalsContact O-N 3.15Å; Y796-M834 HydrophobicContact CE1-SD 4.28Å; Y796-K855 HydrophobicContact CE1-CB 4.32Å; Y796-K855 WeakPolarHBondContact OH-CB 2.97Å; Y796-I868 HydrophobicContact CD1-CB 4.04Å; Y796-I868 HydrophobicContact CD1-CG2 3.5Å; Y796-I868 HydrophobicContact CD2-CB 4.28Å; Y796-I868 HydrophobicContact CD2-CG1 4.33Å; Y796-I868 HydrophobicContact CD2-CG2 3.83Å; Y796-I868 HydrophobicContact CE1-CB 3.9Å; Y796-I868 HydrophobicContact CE1-CG2 3.91Å; Y796-I868 HydrophobicContact CE2-CB 4.15Å; Y796-I868 HydrophobicContact CE2-CG1 4.06Å; Y796-I868 HydrophobicContact CE2-CG2 4.21Å; Y796-I868 HydrophobicContact CG-CB 4.22Å; Y796-I868 HydrophobicContact CG-CG2 3.44Å; Y796-I868 VanDerWaalsContact CG-CG2 3.44Å; Y796-V870 HydrophobicContact CD1-CG2 4Å |
| 797 | T | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -58.6 | -25.1 | 171.5 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | V650 H652 M655 A793 A794 A795 F799 A800 R801 V875 | V650-T797 HydrophobicContact CG1-CG2 4.42Å; H652-T797 HydrophobicContact CB-CG2 4.12Å; M655-T797 HydrophobicContact CE-CG2 3.65Å; M655-T797 HydrophobicContact SD-CG2 3.76Å; A793-T797 WeakPolarHBondContact O-CG2 3.41Å; A793-T797 PolarHBondContact O-N 3.18Å; A794-T797 WeakPolarHBondContact O-CB 3.35Å; A794-T797 WeakPolarHBondContact O-CG2 3.31Å; A794-T797 PolarHBondContact O-N 3.18Å; A794-T797 PolarHBondContact O-OG1 3.46Å; A795-T797 PolarHBondContact O-N 3.2Å; T797-F799 PolarHBondContact O-N 3.18Å; T797-F799 VanDerWaalsContact O-N 3.15Å; T797-A800 CarbonylContact O-C 3.6Å; T797-A800 PolarHBondContact O-N 2.99Å; T797-R801 WeakPolarHBondContact O-CB 3.08Å; T797-R801 WeakPolarHBondContact O-CG 3.33Å; T797-R801 PolarHBondContact O-N 3.34Å; T797-V875 HydrophobicContact CG2-CB 4.39Å; T797-V875 HydrophobicContact CG2-CG2 3.79Å |
| 798 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -55 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A795 Y796 A800 R801 G803 K804 A805 L821 | A795-A798 VanDerWaalsContact O-CB 3.24Å; A795-A798 WeakPolarHBondContact O-CB 3.27Å; A795-A798 PolarHBondContact O-N 3.16Å; Y796-A798 PolarHBondContact O-N 3.46Å; Y796-A798 VanDerWaalsContact O-N 3.16Å; A798-A800 VanDerWaalsContact C-N 3.29Å; A798-A800 PolarHBondContact O-N 3.41Å; A798-R801 PolarHBondContact O-N 3.09Å; A798-G803 VanDerWaalsContact O-CA 3.27Å; A798-G803 WeakPolarHBondContact O-CA 3.08Å; A798-G803 PolarHBondContact O-N 3.38Å; A798-K804 VanDerWaalsContact CA-O 3.25Å; A798-K804 WeakPolarHBondContact CA-O 3.28Å; A798-A805 HydrophobicContact CB-CB 4.16Å; A798-L821 HydrophobicContact CB-CB 4.32Å; A798-L821 HydrophobicContact CB-CD2 4.17Å |
| 799 | F | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -68.6 | -27.7 | 178.2 | -61.2 | -59.2 | 0 | 0 | 0 | 112.9 | P690 F691 Y796 T797 M822 I830 R831 M834 | P690-F799 HydrophobicContact CB-CE1 4.32Å; P690-F799 HydrophobicContact CB-CE2 3.88Å; P690-F799 HydrophobicContact CB-CZ 3.5Å; F691-F799 AromaticContact CD1-CE2 3.99Å; F691-F799 HydrophobicContact CD1-CE2 3.99Å; F691-F799 AromaticContact CD1-CZ 3.64Å; F691-F799 HydrophobicContact CD1-CZ 3.64Å; F691-F799 AromaticContact CE1-CE2 3.59Å; F691-F799 HydrophobicContact CE1-CE2 3.59Å; F691-F799 AromaticContact CE1-CZ 3.75Å; F691-F799 HydrophobicContact CE1-CZ 3.75Å; F691-F799 HydrophobicContact CG-CZ 4.38Å; F691-F799 HydrophobicContact CZ-CE2 4.07Å; Y796-F799 AromaticContact CD1-CD2 3.79Å; Y796-F799 HydrophobicContact CD1-CD2 3.79Å; Y796-F799 AromaticContact CD1-CE2 3.88Å; Y796-F799 HydrophobicContact CD1-CE2 3.88Å; Y796-F799 HydrophobicContact CE1-CD2 4.32Å; Y796-F799 HydrophobicContact CE1-CE2 4.08Å; Y796-F799 HydrophobicContact CG-CD2 4.24Å; Y796-F799 HydrophobicContact CG-CE2 4.22Å; Y796-F799 WeakPolarHBondContact O-CD2 3.45Å; Y796-F799 PolarHBondContact O-N 3.5Å; Y796-F799 VanDerWaalsContact O-N 3.15Å; T797-F799 PolarHBondContact O-N 3.18Å; T797-F799 VanDerWaalsContact O-N 3.15Å; F799-M822 HydrophobicContact CD1-SD 4.28Å; F799-M822 HydrophobicContact CE1-CE 3.75Å; F799-M822 HydrophobicContact CE1-SD 3.8Å; F799-M822 HydrophobicContact CZ-CE 4.16Å; F799-I830 HydrophobicContact CD1-CB 4.05Å; F799-I830 HydrophobicContact CD1-CG2 3.8Å; F799-I830 HydrophobicContact CE1-CB 3.86Å; F799-I830 HydrophobicContact CE1-CG2 3.38Å; F799-I830 HydrophobicContact CZ-CG2 3.95Å; F799-R831 HydrophobicContact CB-CB 4.28Å; F799-R831 WeakPolarHBondContact O-CD 3.37Å; F799-M834 HydrophobicContact CB-CE 4.44Å; F799-M834 HydrophobicContact CD1-CE 4.47Å; F799-M834 HydrophobicContact CD2-CE 3.87Å; F799-M834 HydrophobicContact CE2-CE 4.25Å; F799-M834 HydrophobicContact CG-CE 4Å |
| 800 | A | 95.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 7% | 0.066 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -16.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | H652 T797 A798 V870 | H652-A800 HydrophobicContact CB-CB 4.4Å; T797-A800 CarbonylContact O-C 3.6Å; T797-A800 PolarHBondContact O-N 2.99Å; A798-A800 VanDerWaalsContact C-N 3.29Å; A798-A800 PolarHBondContact O-N 3.41Å; A800-V870 HydrophobicContact CB-CG1 3.68Å |
| 801 | R | 95.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 25.4 Ų | 25.4 | 14% | 0.136 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 42 | -177.6 | -61.3 | -174.4 | 70.6 | 65.6 | 0.2 | 112.4 | H652 T653 M655 T797 A798 G803 K804 E818 | H652-R801 HydrophobicContact CB-CG 4.45Å; H652-R801 WeakPolarHBondContact O-CD 3.37Å; H652-R801 WeakPolarHBondContact O-CG 2.94Å; H652-R801 PolarHBondContact O-NH1 2.9Å; T653-R801 PolarHBondContact O-NH1 3.37Å; M655-R801 VanDerWaalsContact SD-CD 3.53Å; T797-R801 WeakPolarHBondContact O-CB 3.08Å; T797-R801 WeakPolarHBondContact O-CG 3.33Å; T797-R801 PolarHBondContact O-N 3.34Å; A798-R801 PolarHBondContact O-N 3.09Å; R801-G803 PolarHBondContact O-N 3.34Å; R801-G803 VanDerWaalsContact O-N 3.12Å; R801-K804 WeakPolarHBondContact CB-O 3.26Å; R801-K804 PolarHBondContact O-N 3.12Å; R801-E818 IonicContact CZ-OE1 3.32Å; R801-E818 IonicContact NE-OE1 3.7Å; R801-E818 PolarHBondContact NE-OE1 2.82Å; R801-E818 IonicContact NH2-OE1 3.7Å; R801-E818 PolarHBondContact NH2-OE1 3.24Å; R801-E818 IonicContact NH2-OE2 2.96Å; R801-E818 PolarHBondContact NH2-OE2 3.39Å |
| 802 | H | 95.5 | Very high | 96.1 | Very high | 109 Ų | 109 | 26.3 Ų | 26.3 | 51% | 0.505 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.8 | 173.9 | -48.8 | -62.7 | 0 | 0 | 0 | 114 | S824 | H802-S824 WeakPolarHBondContact O-CA 3.29Š|
| 803 | G | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 2.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A798 R801 L821 M822 | A798-G803 VanDerWaalsContact O-CA 3.27Å; A798-G803 WeakPolarHBondContact O-CA 3.08Å; A798-G803 PolarHBondContact O-N 3.38Å; R801-G803 PolarHBondContact O-N 3.34Å; R801-G803 VanDerWaalsContact O-N 3.12Å; G803-L821 WeakPolarHBondContact O-CB 3.19Å; G803-L821 PolarHBondContact O-N 3.44Å; G803-M822 CarbonylContact C-O 3.6Å; G803-M822 VanDerWaalsContact CA-O 3.29Å; G803-M822 WeakPolarHBondContact CA-O 3.18Å; G803-M822 PolarHBondContact O-N 3.42Å |
| 804 | K | 97.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 33.9 Ų | 33.9 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.4 | 178.2 | -59.3 | 175.8 | -174.2 | 174.4 | 0 | 111.5 | A798 R801 R819 | A798-K804 VanDerWaalsContact CA-O 3.25Å; A798-K804 WeakPolarHBondContact CA-O 3.28Å; R801-K804 WeakPolarHBondContact CB-O 3.26Å; R801-K804 PolarHBondContact O-N 3.12Å; K804-R819 WeakPolarHBondContact CA-O 3.4Å |
| 805 | A | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 147.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V764 A798 E818 R819 | V764-A805 HydrophobicContact CB-CB 4.02Å; V764-A805 HydrophobicContact CG2-CB 4.27Å; A798-A805 HydrophobicContact CB-CB 4.16Å; A805-E818 CarbonylContact O-C 3.47Å; A805-E818 WeakPolarHBondContact O-CA 3.2Å; A805-R819 PolarHBondContact N-O 3.44Å; A805-R819 PolarHBondContact O-N 3.4Å |
| 806 | G | 90.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 157 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M655 L817 | M655-G806 WeakPolarHBondContact CE-O 3.42Å; G806-L817 CarbonylContact C-O 3.44Å; G806-L817 VanDerWaalsContact CA-O 3.25Å; G806-L817 WeakPolarHBondContact CA-O 3.26Å |
| 807 | K | 95.6 | Very high | 95.1 | Very high | 135 Ų | 135 | 45 Ų | 45 | 59% | 0.587 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -68.2 | 131.8 | 163.9 | -173.5 | -176.3 | 175.3 | -171.1 | 0 | 108.9 | L817 | K807-L817 HydrophobicContact CB-CB 4.29Å; K807-L817 HydrophobicContact CD-CD1 4.35Å; K807-L817 PolarHBondContact N-O 3.12Å |
| 808 | L | 97.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 137.1 | 174.1 | -58.8 | -178.3 | 0 | 0 | 0 | 110.9 | I648 V650 M655 V657 E790 A794 L810 | I648-L808 HydrophobicContact CD1-CD1 3.9Å; V650-L808 HydrophobicContact CB-CD2 4.33Å; V650-L808 HydrophobicContact CG1-CD2 3.63Å; V650-L808 HydrophobicContact CG2-CD2 3.73Å; M655-L808 HydrophobicContact CE-CD2 3.9Å; V657-L808 HydrophobicContact CG2-CB 3.89Å; V657-L808 HydrophobicContact CG2-CD1 3.98Å; V657-L808 HydrophobicContact CG2-CD2 4.38Å; V657-L808 HydrophobicContact CG2-CG 4.31Å; E790-L808 HydrophobicContact CB-CD1 4.02Å; A794-L808 HydrophobicContact CB-CD1 4.38Å; A794-L808 HydrophobicContact CB-CD2 3.79Å; A794-L808 HydrophobicContact CB-CG 3.83Å; L808-L810 HydrophobicContact CB-CD2 4.44Å |
| 809 | R | 96.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -96.3 | 119.6 | 171.4 | -64.5 | 170 | 72.1 | -172.7 | 4.3 | 108.4 | T619 D654 M655 R656 V657 P812 D814 | T619-R809 PolarHBondContact OG1-O 3.46Å; T619-R809 VanDerWaalsContact OG1-O 3.1Å; D654-R809 WeakPolarHBondContact O-CD 3.4Å; D654-R809 PolarHBondContact O-NH1 3.32Å; M655-R809 HydrophobicContact CB-CG 4.45Å; M655-R809 PolarHBondContact O-N 3.34Å; R656-R809 WeakPolarHBondContact CA-O 3.33Å; R656-R809 HydrophobicContact CG-CB 4.3Å; V657-R809 PolarHBondContact N-O 2.83Å; R809-P812 PolarHBondContact NH2-O 3.1Å; R809-D814 HydrophobicContact CB-CB 3.92Å; R809-D814 HydrophobicContact CG-CB 3.88Å; R809-D814 PolarHBondContact NE-O 3.31Å; R809-D814 PolarHBondContact NH2-O 3.37Å |
| 810 | L | 95.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | trans | -101.6 | -24.4 | -179.5 | -54.7 | 179.9 | 0 | 0 | 0 | 111.2 | F603 M606 M607 K610 T618 T619 V657 W660 L808 D814 | F603-L810 HydrophobicContact CE2-CB 4.45Å; F603-L810 HydrophobicContact CE2-CD2 3.89Å; F603-L810 HydrophobicContact CZ-CB 4.23Å; F603-L810 HydrophobicContact CZ-CD2 4.4Å; M606-L810 HydrophobicContact CE-CD1 3.74Å; M607-L810 HydrophobicContact CE-CB 4.34Å; M607-L810 HydrophobicContact SD-CB 3.93Å; M607-L810 HydrophobicContact SD-CD1 3.86Å; K610-L810 HydrophobicContact CD-CD1 4.33Å; T618-L810 CarbonylContact C-O 3.38Å; T618-L810 WeakPolarHBondContact CA-O 3.44Å; T618-L810 WeakPolarHBondContact CB-O 3.41Å; T619-L810 PolarHBondContact N-O 3.11Å; T619-L810 PolarHBondContact OG1-O 2.84Å; V657-L810 HydrophobicContact CB-CD2 4.13Å; V657-L810 HydrophobicContact CG2-CD2 3.52Å; W660-L810 HydrophobicContact CZ3-CD2 4.35Å; L808-L810 HydrophobicContact CB-CD2 4.44Å; L810-D814 PolarHBondContact N-OD2 3.21Å | ||
| 811 | Q | 93.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 16% | 0.159 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -120.1 | 151.9 | 175.3 | -58.1 | 177.4 | 108.9 | 0 | 0 | 110.7 | M607 V617 T619 D813 D814 | M607-Q811 HydrophobicContact CE-CG 3.51Å; V617-Q811 WeakPolarHBondContact O-CG 2.99Å; T619-Q811 VanDerWaalsContact CG2-C 3.48Å; Q811-D813 WeakPolarHBondContact CB-OD1 3.4Å; Q811-D813 PolarHBondContact O-N 3.12Å; Q811-D814 PolarHBondContact N-OD2 3.07Å; Q811-D814 WeakPolarHBondContact O-CB 3.33Å; Q811-D814 PolarHBondContact O-N 3.21Å |
| 812 | P | 88.7 | Confident | 95 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.4 | -179 | -27.2 | 35.8 | 0 | 0 | 0 | 114.6 | V617 R809 | V617-P812 HydrophobicContact CG1-CG 3.91Å; V617-P812 VanDerWaalsContact O-CD 3.32Å; V617-P812 WeakPolarHBondContact O-CD 3.42Å; R809-P812 PolarHBondContact NH2-O 3.1Å |
| 813 | D | 90.1 | Very high | 95.1 | Very high | 125 Ų | 125 | 54.2 Ų | 54.2 | 67% | 0.668 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.5 | -177.9 | 63.2 | -38.9 | 0 | 0 | 0 | 114.3 | Q811 | Q811-D813 WeakPolarHBondContact CB-OD1 3.4Å; Q811-D813 PolarHBondContact O-N 3.12Å |
| 814 | D | 93.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -57.8 | 132.8 | 174.4 | -74.2 | -25.4 | 0 | 0 | 0 | 109.8 | R809 L810 Q811 | R809-D814 HydrophobicContact CB-CB 3.92Å; R809-D814 HydrophobicContact CG-CB 3.88Å; R809-D814 PolarHBondContact NE-O 3.31Å; R809-D814 PolarHBondContact NH2-O 3.37Å; L810-D814 PolarHBondContact N-OD2 3.21Å; Q811-D814 PolarHBondContact N-OD2 3.07Å; Q811-D814 WeakPolarHBondContact O-CB 3.33Å; Q811-D814 PolarHBondContact O-N 3.21Å |
| 815 | P | 95.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | trans | -72.5 | 145.2 | -179.6 | 28.3 | -34.3 | 0 | 0 | 0 | 111.7 | L817 | P815-L817 HydrophobicContact CB-CD2 4.27Å; P815-L817 HydrophobicContact CB-CG 4.28Å; P815-L817 HydrophobicContact CG-CD1 4.16Å; P815-L817 HydrophobicContact CG-CD2 4.34Å; P815-L817 HydrophobicContact CG-CG 4.06Å; P815-L817 PolarHBondContact O-N 3.26Å; P815-L817 VanDerWaalsContact O-N 3.17Å | ||
| 816 | L | 94.1 | Very high | 95.2 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | trans | -72.6 | 105.1 | 168.7 | 178.9 | 62.5 | 0 | 0 | 0 | 109.1 | M655 E818 | M655-L816 HydrophobicContact CB-CD1 3.9Å; M655-L816 HydrophobicContact CG-CD1 3.37Å; L816-E818 HydrophobicContact CD1-CG 3.94Å; L816-E818 HydrophobicContact CG-CG 3.99Å | ||
| 817 | L | 94.7 | Very high | 95.6 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | trans | -113.8 | 113.5 | 179.4 | -61 | 177.5 | 0 | 0 | 0 | 109.8 | G806 K807 P815 | G806-L817 CarbonylContact C-O 3.44Å; G806-L817 VanDerWaalsContact CA-O 3.25Å; G806-L817 WeakPolarHBondContact CA-O 3.26Å; K807-L817 HydrophobicContact CB-CB 4.29Å; K807-L817 HydrophobicContact CD-CD1 4.35Å; K807-L817 PolarHBondContact N-O 3.12Å; P815-L817 HydrophobicContact CB-CD2 4.27Å; P815-L817 HydrophobicContact CB-CG 4.28Å; P815-L817 HydrophobicContact CG-CD1 4.16Å; P815-L817 HydrophobicContact CG-CD2 4.34Å; P815-L817 HydrophobicContact CG-CG 4.06Å; P815-L817 PolarHBondContact O-N 3.26Å; P815-L817 VanDerWaalsContact O-N 3.17Å | ||
| 818 | E | 94.7 | Very high | 95.6 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.5 | -174.4 | -55.3 | -173.8 | 96.2 | 0 | 0 | 112.4 | R801 A805 L816 | R801-E818 IonicContact CZ-OE1 3.32Å; R801-E818 IonicContact NE-OE1 3.7Å; R801-E818 PolarHBondContact NE-OE1 2.82Å; R801-E818 IonicContact NH2-OE1 3.7Å; R801-E818 PolarHBondContact NH2-OE1 3.24Å; R801-E818 IonicContact NH2-OE2 2.96Å; R801-E818 PolarHBondContact NH2-OE2 3.39Å; A805-E818 CarbonylContact O-C 3.47Å; A805-E818 WeakPolarHBondContact O-CA 3.2Å; L816-E818 HydrophobicContact CD1-CG 3.94Å; L816-E818 HydrophobicContact CG-CG 3.99Å |
| 819 | R | 96.6 | Very high | 95.6 | Very high | 134 Ų | 134 | 44.2 Ų | 44.2 | 51% | 0.506 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.6 | 175.6 | -65.1 | -177.4 | 178.8 | 176 | 0.2 | 110.4 | N763 V764 K804 A805 L821 | N763-R819 WeakPolarHBondContact O-CD 3.28Å; N763-R819 PolarHBondContact O-NH1 3.1Å; V764-R819 HydrophobicContact CB-CB 4.49Å; V764-R819 HydrophobicContact CG1-CB 4.05Å; K804-R819 WeakPolarHBondContact CA-O 3.4Å; A805-R819 PolarHBondContact N-O 3.44Å; A805-R819 PolarHBondContact O-N 3.4Å; R819-L821 PolarHBondContact O-N 3.47Å |
| 820 | P | 96.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 61% | 0.61 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.2 | 176.7 | 28.7 | -33.6 | 0 | 0 | 0 | 110.3 | ||
| 821 | L | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -100.8 | -50.3 | 171.3 | -178.2 | 53.2 | 0 | 0 | 0 | 110.8 | F691 L695 L761 V764 A798 G803 R819 | F691-L821 HydrophobicContact CD1-CD2 3.57Å; F691-L821 HydrophobicContact CE1-CD2 3.78Å; L695-L821 HydrophobicContact CD2-CD1 4.31Å; L695-L821 VanDerWaalsContact CD2-O 3.25Å; L695-L821 WeakPolarHBondContact CD2-O 3.38Å; L761-L821 HydrophobicContact CD2-CD1 4.25Å; V764-L821 HydrophobicContact CG1-CB 3.93Å; V764-L821 HydrophobicContact CG1-CD1 4.04Å; V764-L821 HydrophobicContact CG2-CD1 3.9Å; V764-L821 HydrophobicContact CG2-CD2 4.25Å; V764-L821 HydrophobicContact CG2-CG 4.44Å; A798-L821 HydrophobicContact CB-CB 4.32Å; A798-L821 HydrophobicContact CB-CD2 4.17Å; G803-L821 WeakPolarHBondContact O-CB 3.19Å; G803-L821 PolarHBondContact O-N 3.44Å; R819-L821 PolarHBondContact O-N 3.47Å | ||
| 822 | M | 97.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -144.7 | 174.6 | -178.2 | 64.2 | -171.7 | 71.4 | 0 | 0 | 110.8 | F691 L695 D698 F799 G803 A826 A827 | F691-M822 HydrophobicContact CD1-CE 4.17Å; L695-M822 HydrophobicContact CD2-CB 4.4Å; D698-M822 VanDerWaalsContact OD2-C 3.26Å; D698-M822 WeakPolarHBondContact OD2-CA 3.36Å; D698-M822 WeakPolarHBondContact OD2-CB 2.98Å; F799-M822 HydrophobicContact CD1-SD 4.28Å; F799-M822 HydrophobicContact CE1-CE 3.75Å; F799-M822 HydrophobicContact CE1-SD 3.8Å; F799-M822 HydrophobicContact CZ-CE 4.16Å; G803-M822 CarbonylContact C-O 3.6Å; G803-M822 VanDerWaalsContact CA-O 3.29Å; G803-M822 WeakPolarHBondContact CA-O 3.18Å; G803-M822 PolarHBondContact O-N 3.42Å; M822-A826 HydrophobicContact CB-CB 4.41Å; M822-A826 HydrophobicContact CG-CB 4.44Å; M822-A826 HydrophobicContact SD-CB 4.29Å; M822-A827 HydrophobicContact CG-CB 4.07Å; M822-A827 HydrophobicContact SD-CB 4.12Å |
| 823 | S | 97.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | trans | -67.8 | 159.2 | 174.8 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | D698 G825 A826 A827 | D698-S823 WeakPolarHBondContact OD1-CB 3.31Å; D698-S823 PolarHBondContact OD1-N 3.22Å; D698-S823 PolarHBondContact OD1-OG 3.39Å; D698-S823 PolarHBondContact OD2-N 3.38Å; S823-G825 PolarHBondContact O-N 3.05Å; S823-A826 PolarHBondContact O-N 2.95Å; S823-A826 WeakPolarHBondContact OG-CB 3.46Å; S823-A826 PolarHBondContact OG-N 2.84Å; S823-A826 VanDerWaalsContact OG-N 3.07Å; S823-A827 WeakPolarHBondContact O-CB 3.39Å; S823-A827 PolarHBondContact O-N 3.25Å | ||
| 824 | S | 97.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 31% | 0.308 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60 | -36.4 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | H802 W828 | H802-S824 WeakPolarHBondContact O-CA 3.29Å; S824-W828 WeakPolarHBondContact O-CB 3.45Å; S824-W828 PolarHBondContact O-N 2.58Å |
| 825 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -44.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S823 A827 W828 I829 V924 | S823-G825 PolarHBondContact O-N 3.05Å; G825-A827 VanDerWaalsContact C-N 3.35Å; G825-A827 PolarHBondContact O-N 3.33Å; G825-W828 PolarHBondContact O-N 2.83Å; G825-I829 WeakPolarHBondContact O-CB 3.3Å; G825-I829 VanDerWaalsContact O-CG1 3.28Å; G825-I829 WeakPolarHBondContact O-CG1 3.44Å; G825-I829 PolarHBondContact O-N 3.26Å; G825-V924 VanDerWaalsContact CA-CG2 3.41Å |
| 826 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L697 D698 M822 S823 W828 I829 I830 L953 | L697-A826 HydrophobicContact CB-CB 4.2Å; D698-A826 WeakPolarHBondContact OD1-CB 3.45Å; M822-A826 HydrophobicContact CB-CB 4.41Å; M822-A826 HydrophobicContact CG-CB 4.44Å; M822-A826 HydrophobicContact SD-CB 4.29Å; S823-A826 PolarHBondContact O-N 2.95Å; S823-A826 WeakPolarHBondContact OG-CB 3.46Å; S823-A826 PolarHBondContact OG-N 2.84Å; S823-A826 VanDerWaalsContact OG-N 3.07Å; A826-W828 VanDerWaalsContact C-N 3.34Å; A826-W828 PolarHBondContact O-N 2.84Å; A826-I829 PolarHBondContact O-N 2.88Å; A826-I830 WeakPolarHBondContact O-CB 3.33Å; A826-I830 VanDerWaalsContact O-CG1 3.29Å; A826-I830 WeakPolarHBondContact O-CG1 3.17Å; A826-I830 PolarHBondContact O-N 3.49Å; A826-L953 HydrophobicContact CB-CD2 3.97Å |
| 827 | A | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | M822 S823 G825 R831 | M822-A827 HydrophobicContact CG-CB 4.07Å; M822-A827 HydrophobicContact SD-CB 4.12Å; S823-A827 WeakPolarHBondContact O-CB 3.39Å; S823-A827 PolarHBondContact O-N 3.25Å; G825-A827 VanDerWaalsContact C-N 3.35Å; G825-A827 PolarHBondContact O-N 3.33Å; A827-R831 WeakPolarHBondContact O-CB 3.08Å; A827-R831 PolarHBondContact O-N 2.96Å |
| 828 | W | 97.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 178.5 | -174 | 91.1 | 0 | 0 | 0 | 112.2 | S824 G825 A826 I830 R831 R832 L846 D918 P919 R920 P921 V924 W951 | S824-W828 WeakPolarHBondContact O-CB 3.45Å; S824-W828 PolarHBondContact O-N 2.58Å; G825-W828 PolarHBondContact O-N 2.83Å; A826-W828 VanDerWaalsContact C-N 3.34Å; A826-W828 PolarHBondContact O-N 2.84Å; W828-I830 PolarHBondContact O-N 2.97Å; W828-R831 PolarHBondContact O-N 2.88Å; W828-R832 HydrophobicContact CD2-CG 3.9Å; W828-R832 HydrophobicContact CE3-CG 4Å; W828-R832 HydrophobicContact CH2-CG 3.87Å; W828-R832 HydrophobicContact CZ2-CG 3.77Å; W828-R832 VanDerWaalsContact CZ2-NE 3.3Å; W828-R832 HydrophobicContact CZ3-CG 3.98Å; W828-R832 WeakPolarHBondContact O-CG 3.24Å; W828-R832 PolarHBondContact O-N 2.71Å; W828-L846 HydrophobicContact CH2-CD1 3.94Å; W828-L846 HydrophobicContact CZ2-CD1 3.96Å; W828-D918 PolarHBondContact NE1-O 2Å; W828-D918 VanDerWaalsContact NE1-O 3.11Å; W828-P919 PolarHBondContact NE1-O 3.14Å; W828-R920 HydrophobicContact CE3-CG 4.38Å; W828-R920 HydrophobicContact CH2-CB 3.97Å; W828-R920 HydrophobicContact CH2-CG 3.83Å; W828-R920 HydrophobicContact CZ2-CB 3.64Å; W828-R920 HydrophobicContact CZ2-CG 3.99Å; W828-R920 HydrophobicContact CZ3-CG 4.04Å; W828-P921 HydrophobicContact CB-CG 3.89Å; W828-P921 VanDerWaalsContact CG-CD 3.42Å; W828-P921 HydrophobicContact CG-CG 4.1Å; W828-V924 HydrophobicContact CE3-CG1 4.08Å; W828-V924 HydrophobicContact CE3-CG2 4.26Å; W828-V924 HydrophobicContact CZ3-CG1 3.91Å; W828-W951 HydrophobicContact CH2-CD2 4.45Å; W828-W951 AromaticContact CH2-CE2 3.96Å; W828-W951 HydrophobicContact CH2-CH2 4.13Å; W828-W951 AromaticContact CH2-CZ2 3.8Å; W828-W951 HydrophobicContact CH2-CZ2 3.8Å; W828-W951 HydrophobicContact CZ3-CD2 4.01Å; W828-W951 AromaticContact CZ3-CE2 3.89Å; W828-W951 HydrophobicContact CZ3-CE3 4.39Å; W828-W951 HydrophobicContact CZ3-CG 4.37Å; W828-W951 HydrophobicContact CZ3-CZ2 4.19Å |
| 829 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 177.9 | -72 | 170.1 | 0 | 0 | 0 | 110.7 | L697 P704 G825 A826 R831 R832 I833 V924 W951 L953 | L697-I829 HydrophobicContact CD1-CB 4.33Å; L697-I829 HydrophobicContact CD1-CG2 3.84Å; P704-I829 HydrophobicContact CG-CG2 3.48Å; P704-I829 VanDerWaalsContact CG-CG2 3.48Å; G825-I829 WeakPolarHBondContact O-CB 3.3Å; G825-I829 VanDerWaalsContact O-CG1 3.28Å; G825-I829 WeakPolarHBondContact O-CG1 3.44Å; G825-I829 PolarHBondContact O-N 3.26Å; A826-I829 PolarHBondContact O-N 2.88Å; I829-R831 VanDerWaalsContact C-N 3.34Å; I829-R831 PolarHBondContact O-N 3.08Å; I829-R832 PolarHBondContact O-N 2.95Å; I829-I833 HydrophobicContact CG2-CD1 3.79Å; I829-I833 VanDerWaalsContact O-CG1 3.31Å; I829-I833 WeakPolarHBondContact O-CG1 3.39Å; I829-I833 PolarHBondContact O-N 2.82Å; I829-V924 HydrophobicContact CD1-CG1 4.01Å; I829-V924 HydrophobicContact CD1-CG2 4Å; I829-V924 HydrophobicContact CG1-CG1 3.94Å; I829-V924 HydrophobicContact CG1-CG2 4.01Å; I829-W951 HydrophobicContact CD1-CB 4.1Å; I829-W951 HydrophobicContact CG1-CB 4.05Å; I829-L953 HydrophobicContact CD1-CB 4.18Å |
| 830 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | -179.6 | -65.8 | -64.1 | 0 | 0 | 0 | 111.2 | P690 L697 M733 L737 F799 A826 W828 I833 M834 | P690-I830 HydrophobicContact CB-CG2 3.79Å; L697-I830 HydrophobicContact CD1-CD1 3.73Å; L697-I830 HydrophobicContact CD1-CG1 3.92Å; M733-I830 HydrophobicContact CE-CD1 4.26Å; L737-I830 HydrophobicContact CD2-CD1 3.99Å; L737-I830 HydrophobicContact CD2-CG2 4.23Å; F799-I830 HydrophobicContact CD1-CB 4.05Å; F799-I830 HydrophobicContact CD1-CG2 3.8Å; F799-I830 HydrophobicContact CE1-CB 3.86Å; F799-I830 HydrophobicContact CE1-CG2 3.38Å; F799-I830 HydrophobicContact CZ-CG2 3.95Å; A826-I830 WeakPolarHBondContact O-CB 3.33Å; A826-I830 VanDerWaalsContact O-CG1 3.29Å; A826-I830 WeakPolarHBondContact O-CG1 3.17Å; A826-I830 PolarHBondContact O-N 3.49Å; W828-I830 PolarHBondContact O-N 2.97Å; I830-I833 HydrophobicContact CD1-CD1 4.5Å; I830-I833 PolarHBondContact O-N 2.64Å; I830-M834 HydrophobicContact CG2-CE 4.08Å; I830-M834 HydrophobicContact CG2-CG 4.49Å; I830-M834 HydrophobicContact CG2-SD 4.38Å; I830-M834 WeakPolarHBondContact O-CG 3.33Å; I830-M834 PolarHBondContact O-N 3.01Å |
| 831 | R | 97.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.6 | -173 | 179.2 | -179.1 | -177.8 | 8.1 | 111.4 | F799 A827 W828 I829 M834 A835 A853 N871 D918 | F799-R831 HydrophobicContact CB-CB 4.28Å; F799-R831 WeakPolarHBondContact O-CD 3.37Å; A827-R831 WeakPolarHBondContact O-CB 3.08Å; A827-R831 PolarHBondContact O-N 2.96Å; W828-R831 PolarHBondContact O-N 2.88Å; I829-R831 VanDerWaalsContact C-N 3.34Å; I829-R831 PolarHBondContact O-N 3.08Å; R831-M834 PolarHBondContact O-N 3.34Å; R831-A835 WeakPolarHBondContact O-CB 3.33Å; R831-A835 PolarHBondContact O-N 3.46Å; R831-A853 HydrophobicContact CG-CB 3.81Å; R831-A853 VanDerWaalsContact O-CB 3.3Å; R831-A853 WeakPolarHBondContact O-CB 3Å; R831-N871 PolarHBondContact NH2-O 3.47Å; R831-D918 VanDerWaalsContact CD-OD2 3.31Å; R831-D918 WeakPolarHBondContact CD-OD2 3.39Å; R831-D918 IonicContact CZ-OD2 2.86Å; R831-D918 IonicContact NE-OD2 3.69Å; R831-D918 IonicContact NH1-OD1 3.85Å; R831-D918 IonicContact NH1-OD2 3.38Å; R831-D918 PolarHBondContact NH1-OD2 3.21Å |
| 832 | R | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 178.5 | -67.1 | -69.1 | -176.5 | 176.3 | 3.3 | 111.8 | W828 I829 M834 A835 D836 E837 P847 D918 | W828-R832 HydrophobicContact CD2-CG 3.9Å; W828-R832 HydrophobicContact CE3-CG 4Å; W828-R832 HydrophobicContact CH2-CG 3.87Å; W828-R832 HydrophobicContact CZ2-CG 3.77Å; W828-R832 VanDerWaalsContact CZ2-NE 3.3Å; W828-R832 HydrophobicContact CZ3-CG 3.98Å; W828-R832 WeakPolarHBondContact O-CG 3.24Å; W828-R832 PolarHBondContact O-N 2.71Å; I829-R832 PolarHBondContact O-N 2.95Å; R832-M834 PolarHBondContact O-N 3.31Å; R832-A835 CarbonylContact O-C 3.48Å; R832-A835 WeakPolarHBondContact O-CA 3.45Å; R832-A835 WeakPolarHBondContact O-CB 3.3Å; R832-A835 PolarHBondContact O-N 3.03Å; R832-D836 PolarHBondContact O-N 3.36Å; R832-E837 HydrophobicContact CB-CB 4.22Å; R832-E837 WeakPolarHBondContact CD-OE2 3.45Å; R832-E837 IonicContact CZ-OE2 3.14Å; R832-E837 IonicContact NE-OE2 3.01Å; R832-E837 IonicContact NH1-OE1 2.68Å; R832-E837 IonicContact NH1-OE2 3.26Å; R832-E837 PolarHBondContact NH1-OE2 3.38Å; R832-E837 CarbonylContact O-C 3.59Å; R832-E837 WeakPolarHBondContact O-CA 3.33Å; R832-E837 WeakPolarHBondContact O-CB 3.14Å; R832-E837 PolarHBondContact O-N 3.31Å; R832-P847 PolarHBondContact NH1-O 3.47Å; R832-P847 PolarHBondContact NH2-O 3.18Å; R832-P847 VanDerWaalsContact NH2-O 3.12Å; R832-D918 PolarHBondContact NH2-O 3.37Å |
| 833 | I | 96.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.1 | -64.8 | 164.4 | 0 | 0 | 0 | 111.4 | P704 M733 L737 V738 I829 I830 A835 D836 A838 | P704-I833 HydrophobicContact CB-CD1 3.99Å; P704-I833 HydrophobicContact CG-CD1 4.19Å; M733-I833 HydrophobicContact CE-CD1 4.4Å; M733-I833 HydrophobicContact SD-CD1 4.4Å; L737-I833 HydrophobicContact CB-CG2 4.14Å; L737-I833 HydrophobicContact CD2-CB 4.33Å; L737-I833 HydrophobicContact CD2-CG2 3.82Å; L737-I833 HydrophobicContact CG-CG2 4.1Å; V738-I833 HydrophobicContact CG2-CG2 3.82Å; V738-I833 WeakPolarHBondContact CG2-O 3.38Å; I829-I833 HydrophobicContact CG2-CD1 3.79Å; I829-I833 VanDerWaalsContact O-CG1 3.31Å; I829-I833 WeakPolarHBondContact O-CG1 3.39Å; I829-I833 PolarHBondContact O-N 2.82Å; I830-I833 HydrophobicContact CD1-CD1 4.5Å; I830-I833 PolarHBondContact O-N 2.64Å; I833-A835 PolarHBondContact O-N 2.73Å; I833-D836 PolarHBondContact O-N 2.65Å; I833-A838 HydrophobicContact CB-CB 4.42Å; I833-A838 HydrophobicContact CG1-CB 3.86Å; I833-A838 HydrophobicContact CG2-CB 4.41Å |
| 834 | M | 96.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.6 | -15.5 | 176.6 | -71.9 | -170.5 | -54.1 | 0 | 0 | 113.7 | P690 L737 Y796 F799 I830 R831 R832 A853 W854 K855 | P690-M834 HydrophobicContact CB-SD 3.79Å; P690-M834 HydrophobicContact CG-SD 3.52Å; P690-M834 VanDerWaalsContact CG-SD 3.52Å; L737-M834 HydrophobicContact CD2-CG 4.38Å; Y796-M834 HydrophobicContact CE1-SD 4.28Å; F799-M834 HydrophobicContact CB-CE 4.44Å; F799-M834 HydrophobicContact CD1-CE 4.47Å; F799-M834 HydrophobicContact CD2-CE 3.87Å; F799-M834 HydrophobicContact CE2-CE 4.25Å; F799-M834 HydrophobicContact CG-CE 4Å; I830-M834 HydrophobicContact CG2-CE 4.08Å; I830-M834 HydrophobicContact CG2-CG 4.49Å; I830-M834 HydrophobicContact CG2-SD 4.38Å; I830-M834 WeakPolarHBondContact O-CG 3.33Å; I830-M834 PolarHBondContact O-N 3.01Å; R831-M834 PolarHBondContact O-N 3.34Å; R832-M834 PolarHBondContact O-N 3.31Å; M834-A853 HydrophobicContact CB-CB 3.88Å; M834-A853 WeakPolarHBondContact O-CA 3.02Å; M834-W854 PolarHBondContact O-N 2.86Å; M834-W854 VanDerWaalsContact O-N 3.07Å; M834-K855 HydrophobicContact SD-CB 4.01Å |
| 835 | A | 94.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R831 R832 I833 E837 P851 A853 | R831-A835 WeakPolarHBondContact O-CB 3.33Å; R831-A835 PolarHBondContact O-N 3.46Å; R832-A835 CarbonylContact O-C 3.48Å; R832-A835 WeakPolarHBondContact O-CA 3.45Å; R832-A835 WeakPolarHBondContact O-CB 3.3Å; R832-A835 PolarHBondContact O-N 3.03Å; I833-A835 PolarHBondContact O-N 2.73Å; A835-E837 VanDerWaalsContact C-N 3.26Å; A835-E837 PolarHBondContact O-N 2.7Å; A835-P851 HydrophobicContact CB-CG 3.76Å; A835-A853 HydrophobicContact CB-CB 3.91Å |
| 836 | D | 89.1 | Confident | 90.9 | Very high | 130 Ų | 130 | 35.6 Ų | 35.6 | 70% | 0.695 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 24 | -174.9 | -152.8 | 31 | 0 | 0 | 0 | 114.4 | R832 I833 | R832-D836 PolarHBondContact O-N 3.36Å; I833-D836 PolarHBondContact O-N 2.65Å |
| 837 | E | 87.9 | Confident | 90.3 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 15% | 0.15 | 22% | 0.223 | C | C | . | . | trans | -110.7 | 42.3 | 179.1 | -62.2 | -179.3 | 151.8 | 0 | 0 | 111.4 | R832 A835 Q839 P847 | R832-E837 HydrophobicContact CB-CB 4.22Å; R832-E837 WeakPolarHBondContact CD-OE2 3.45Å; R832-E837 IonicContact CZ-OE2 3.14Å; R832-E837 IonicContact NE-OE2 3.01Å; R832-E837 IonicContact NH1-OE1 2.68Å; R832-E837 IonicContact NH1-OE2 3.26Å; R832-E837 PolarHBondContact NH1-OE2 3.38Å; R832-E837 CarbonylContact O-C 3.59Å; R832-E837 WeakPolarHBondContact O-CA 3.33Å; R832-E837 WeakPolarHBondContact O-CB 3.14Å; R832-E837 PolarHBondContact O-N 3.31Å; A835-E837 VanDerWaalsContact C-N 3.26Å; A835-E837 PolarHBondContact O-N 2.7Å; E837-Q839 VanDerWaalsContact C-N 3.34Å; E837-Q839 PolarHBondContact O-N 3.13Å; E837-P847 WeakPolarHBondContact OE1-CD 3.39Å; E837-P847 WeakPolarHBondContact OE1-CG 3.33Å | ||
| 838 | A | 85 | Confident | 89.7 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | trans | -69.4 | -29.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I833 | I833-A838 HydrophobicContact CB-CB 4.42Å; I833-A838 HydrophobicContact CG1-CB 3.86Å; I833-A838 HydrophobicContact CG2-CB 4.41Å | ||
| 839 | Q | 86.6 | Confident | 89.2 | Confident | 122 Ų | 122 | 49.2 Ų | 49.2 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -75.9 | 135.5 | -179.3 | -69.9 | -64.3 | -21.6 | 0 | 0 | 110.7 | E837 L841 | E837-Q839 VanDerWaalsContact C-N 3.34Å; E837-Q839 PolarHBondContact O-N 3.13Å; Q839-L841 PolarHBondContact O-N 2.94Å |
| 840 | P | 86.9 | Confident | 88.6 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | trans | -71.4 | 120 | -179.3 | 28.7 | -35 | 0 | 0 | 0 | 112.5 | R926 A949 W951 | P840-R926 HydrophobicContact CB-CB 4.35Å; P840-R926 HydrophobicContact CB-CG 3.77Å; P840-A949 HydrophobicContact CG-CB 3.64Å; P840-W951 VanDerWaalsContact CA-CE2 3.44Å; P840-W951 VanDerWaalsContact CA-CZ2 3.46Å; P840-W951 HydrophobicContact CB-CD2 3.85Å; P840-W951 HydrophobicContact CB-CE3 4.11Å; P840-W951 HydrophobicContact CB-CG 4.4Å; P840-W951 HydrophobicContact CB-CH2 4.2Å; P840-W951 HydrophobicContact CB-CZ2 3.95Å; P840-W951 HydrophobicContact CB-CZ3 4.28Å | ||
| 841 | L | 86.1 | Confident | 88.2 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | trans | -107.4 | 156 | 174 | -63 | 176.3 | 0 | 0 | 0 | 110.9 | Q839 A845 L846 W951 | Q839-L841 PolarHBondContact O-N 2.94Å; L841-A845 HydrophobicContact CB-CB 4.35Å; L841-L846 HydrophobicContact CB-CD2 4.18Å; L841-L846 HydrophobicContact CB-CG 4.22Å; L841-L846 HydrophobicContact CD1-CD2 4.45Å; L841-W951 VanDerWaalsContact O-CH2 3.28Å; L841-W951 WeakPolarHBondContact O-CH2 3.49Å | ||
| 842 | P | 84.1 | Confident | 88.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | -57.3 | 147.8 | 165.7 | -19.5 | 30.9 | 0 | 0 | 0 | 111.4 | S844 A845 L846 | P842-S844 PolarHBondContact O-N 3.17Å; P842-S844 VanDerWaalsContact O-N 3.13Å; P842-A845 PolarHBondContact O-N 3.47Å; P842-L846 PolarHBondContact O-N 3.38Å | ||
| 843 | D | 82.4 | Confident | 88.2 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.4 | -178.4 | -66.6 | -20.3 | 0 | 0 | 0 | 113.1 | A845 L846 R920 | D843-A845 VanDerWaalsContact C-N 3.26Å; D843-A845 PolarHBondContact O-N 2.9Å; D843-L846 PolarHBondContact O-N 3.05Å; D843-R920 IonicContact OD1-CZ 3.46Å; D843-R920 IonicContact OD1-NE 3.77Å; D843-R920 PolarHBondContact OD1-NE 2.8Å; D843-R920 IonicContact OD1-NH2 2.71Å; D843-R920 PolarHBondContact OD1-NH2 2.76Å; D843-R920 IonicContact OD2-CZ 3.16Å; D843-R920 IonicContact OD2-NE 2.66Å; D843-R920 IonicContact OD2-NH2 3.07Å; D843-R920 PolarHBondContact OD2-NH2 2.86Å |
| 844 | S | 84.3 | Confident | 88.2 | Confident | 105 Ų | 105 | 56.7 Ų | 56.7 | 73% | 0.734 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.4 | 174.9 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | P842 | P842-S844 PolarHBondContact O-N 3.17Å; P842-S844 VanDerWaalsContact O-N 3.13Å |
| 845 | A | 85.9 | Confident | 88.2 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -13.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L841 P842 D843 | L841-A845 HydrophobicContact CB-CB 4.35Å; P842-A845 PolarHBondContact O-N 3.47Å; D843-A845 VanDerWaalsContact C-N 3.26Å; D843-A845 PolarHBondContact O-N 2.9Å |
| 846 | L | 82.8 | Confident | 88.3 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -74.6 | 131.4 | 175 | -77.9 | 171.2 | 0 | 0 | 0 | 110.3 | W828 L841 P842 D843 R848 W951 | W828-L846 HydrophobicContact CH2-CD1 3.94Å; W828-L846 HydrophobicContact CZ2-CD1 3.96Å; L841-L846 HydrophobicContact CB-CD2 4.18Å; L841-L846 HydrophobicContact CB-CG 4.22Å; L841-L846 HydrophobicContact CD1-CD2 4.45Å; P842-L846 PolarHBondContact O-N 3.38Å; D843-L846 PolarHBondContact O-N 3.05Å; L846-R848 PolarHBondContact O-N 2.92Å; L846-W951 HydrophobicContact CD1-CH2 4.01Å; L846-W951 HydrophobicContact CD1-CZ2 4.07Å; L846-W951 HydrophobicContact CD2-CZ2 4.48Å |
| 847 | P | 84.9 | Confident | 88.5 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | trans | -57.8 | 125.5 | 170.5 | -25.6 | 35.9 | 0 | 0 | 0 | 110.8 | R832 E837 V849 | R832-P847 PolarHBondContact NH1-O 3.47Å; R832-P847 PolarHBondContact NH2-O 3.18Å; R832-P847 VanDerWaalsContact NH2-O 3.12Å; E837-P847 WeakPolarHBondContact OE1-CD 3.39Å; E837-P847 WeakPolarHBondContact OE1-CG 3.33Å; P847-V849 WeakPolarHBondContact CB-O 3.35Å; P847-V849 PolarHBondContact O-N 3.02Å | ||
| 848 | R | 85.8 | Confident | 88.5 | Confident | 183 Ų | 183 | 50.1 Ų | 50.1 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -60.7 | -37.3 | 176.5 | -67.5 | -167.9 | -177.8 | -161.7 | 2.4 | 111.7 | L846 E917 D918 | L846-R848 PolarHBondContact O-N 2.92Å; R848-E917 HydrophobicContact CB-CG 4.37Å; R848-E917 WeakPolarHBondContact CD-OE1 3.4Å; R848-E917 IonicContact NH1-OE1 2.64Å; R848-E917 CarbonylContact O-C 3.57Å; R848-E917 VanDerWaalsContact O-CA 3.28Å; R848-E917 WeakPolarHBondContact O-CA 3.33Å; R848-D918 PolarHBondContact O-N 3.45Å |
| 849 | V | 87.5 | Confident | 88.7 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -97 | 115.4 | 172.2 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | P847 A872 L915 | P847-V849 WeakPolarHBondContact CB-O 3.35Å; P847-V849 PolarHBondContact O-N 3.02Å; V849-A872 HydrophobicContact CG1-CB 3.38Å; V849-L915 HydrophobicContact CG1-CB 4.02Å; V849-L915 HydrophobicContact CG1-CD1 3.98Å; V849-L915 HydrophobicContact CG2-CB 4.25Å |
| 850 | A | 84.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | trans | -61.7 | 134.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D918 | A850-D918 HydrophobicContact CB-CB 3.95Š| ||
| 851 | P | 88.6 | Confident | 88.1 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | trans | -65.5 | 175.1 | 173.2 | 28 | -32.6 | 0 | 0 | 0 | 111.1 | A835 A853 | A835-P851 HydrophobicContact CB-CG 3.76Å; P851-A853 PolarHBondContact O-N 3.28Å | ||
| 852 | L | 95.3 | Very high | 88 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | trans | -62.7 | 105.2 | 176.6 | 176.8 | 68 | 0 | 0 | 0 | 109.7 | N871 L901 N905 | L852-N871 HydrophobicContact CD1-CB 3.94Å; L852-L901 HydrophobicContact CD2-CG 4.48Å; L852-N905 HydrophobicContact CD2-CB 4.12Å | ||
| 853 | A | 96.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R831 M834 A835 P851 G869 V870 | R831-A853 HydrophobicContact CG-CB 3.81Å; R831-A853 VanDerWaalsContact O-CB 3.3Å; R831-A853 WeakPolarHBondContact O-CB 3Å; M834-A853 HydrophobicContact CB-CB 3.88Å; M834-A853 WeakPolarHBondContact O-CA 3.02Å; A835-A853 HydrophobicContact CB-CB 3.91Å; P851-A853 PolarHBondContact O-N 3.28Å; A853-G869 CarbonylContact O-C 3.56Å; A853-G869 WeakPolarHBondContact O-CA 3.39Å; A853-V870 PolarHBondContact N-O 2.57Å; A853-V870 PolarHBondContact O-N 3.12Å |
| 854 | W | 96.9 | Very high | 88.8 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 31% | 0.311 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 160.8 | -176.9 | 62 | -83.5 | 0 | 0 | 0 | 113.9 | M834 T856 I868 F894 V898 L901 | M834-W854 PolarHBondContact O-N 2.86Å; M834-W854 VanDerWaalsContact O-N 3.07Å; W854-T856 HydrophobicContact CE3-CG2 4.01Å; W854-T856 HydrophobicContact CZ3-CG2 3.54Å; W854-I868 CarbonylContact C-O 3.55Å; W854-I868 VanDerWaalsContact CA-O 3.26Å; W854-I868 WeakPolarHBondContact CA-O 3.39Å; W854-I868 WeakPolarHBondContact CB-O 3.46Å; W854-F894 AromaticContact CH2-CD2 3.73Å; W854-F894 HydrophobicContact CH2-CD2 3.73Å; W854-F894 AromaticContact CH2-CE2 3.82Å; W854-F894 HydrophobicContact CH2-CE2 3.82Å; W854-F894 HydrophobicContact CZ2-CE2 4.46Å; W854-F894 HydrophobicContact CZ3-CD2 4.25Å; W854-V898 HydrophobicContact CE3-CG2 3.84Å; W854-V898 HydrophobicContact CH2-CG2 4.22Å; W854-V898 HydrophobicContact CZ3-CG2 3.6Å; W854-L901 HydrophobicContact CB-CD2 3.71Å; W854-L901 HydrophobicContact CG-CD2 4.21Å |
| 855 | K | 97.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.2 | 176.8 | -171.1 | 72.6 | -162.5 | 69.2 | 0 | 111.1 | P690 L737 S740 Y796 M834 A867 I868 | P690-K855 HydrophobicContact CG-CB 4.09Å; P690-K855 HydrophobicContact CG-CD 4.01Å; P690-K855 HydrophobicContact CG-CG 3.73Å; L737-K855 HydrophobicContact CD1-CD 3.99Å; S740-K855 PolarHBondContact OG-NZ 2.93Å; Y796-K855 HydrophobicContact CE1-CB 4.32Å; Y796-K855 WeakPolarHBondContact OH-CB 2.97Å; M834-K855 HydrophobicContact SD-CB 4.01Å; K855-A867 WeakPolarHBondContact O-CA 3.41Å; K855-I868 PolarHBondContact N-O 3.26Å; K855-I868 PolarHBondContact O-N 3.22Å |
| 856 | T | 94.9 | Very high | 89.7 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 152.1 | 171.5 | 45.9 | 0 | 0 | 0 | 0 | 113 | S686 W854 W866 A867 F894 V898 | S686-T856 CarbonylContact C-O 3.57Å; S686-T856 WeakPolarHBondContact CB-O 3.47Å; W854-T856 HydrophobicContact CE3-CG2 4.01Å; W854-T856 HydrophobicContact CZ3-CG2 3.54Å; T856-W866 WeakPolarHBondContact CA-O 3.41Å; T856-A867 HydrophobicContact CG2-CB 4.46Å; T856-F894 HydrophobicContact CG2-CB 4.4Å; T856-V898 HydrophobicContact CG2-CG2 3.35Å |
| 857 | G | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | W866 | G857-W866 PolarHBondContact N-O 3.39Å; G857-W866 PolarHBondContact O-N 2.95Å |
| 858 | T | 88.9 | Confident | 91.1 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.5 | 170.5 | -53.2 | 0 | 0 | 0 | 0 | 106.2 | F723 Y862 F892 G893 | F723-T858 HydrophobicContact CE2-CG2 4.1Å; T858-Y862 HydrophobicContact CG2-CD1 4.24Å; T858-F892 HydrophobicContact CG2-CB 3.64Å; T858-F892 WeakPolarHBondContact OG1-CB 3.48Å; T858-G893 PolarHBondContact OG1-N 3.3Å; T858-G893 VanDerWaalsContact OG1-N 3.12Å |
| 859 | S | 88.6 | Confident | 91.6 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | trans | -71.4 | 162.8 | 175.6 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | G861 Y862 R863 D864 | S859-G861 PolarHBondContact O-N 3.46Å; S859-Y862 PolarHBondContact O-N 3.39Å; S859-R863 PolarHBondContact OG-N 3.45Å; S859-D864 PolarHBondContact N-O 2.97Å; S859-D864 WeakPolarHBondContact OG-CA 3.45Å; S859-D864 WeakPolarHBondContact OG-CB 3.48Å; S859-D864 PolarHBondContact OG-N 3.29Å; S859-D864 PolarHBondContact OG-O 2.87Å | ||
| 860 | Y | 81.5 | Confident | 92.1 | Very high | 206 Ų | 206 | 31.9 Ų | 31.9 | 81% | 0.808 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -58 | 134.3 | 172.3 | -179.8 | -96.8 | 0 | 0 | 0 | 111.6 | Y862 | Y860-Y862 VanDerWaalsContact C-N 3.32Å; Y860-Y862 PolarHBondContact O-N 3.28Å |
| 861 | G | 79.8 | Confident | 92.6 | Very high | 25 Ų | 25 | 31.9 Ų | 31.9 | 26% | 0.258 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | 70.3 | 21.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S859 R863 P887 | S859-G861 PolarHBondContact O-N 3.46Å; G861-R863 VanDerWaalsContact C-N 3.3Å; G861-R863 PolarHBondContact O-N 3.41Å; G861-P887 WeakPolarHBondContact O-CA 3.17Å; G861-P887 WeakPolarHBondContact O-CB 3.42Å |
| 862 | Y | 84.8 | Confident | 92.8 | Very high | 82 Ų | 82 | 29.5 Ų | 29.5 | 32% | 0.322 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | 57.4 | 36.9 | 172.6 | -49.1 | -88.5 | 0 | 0 | 0 | 113.9 | F723 T858 S859 Y860 V888 F892 | F723-Y862 HydrophobicContact CE2-CD1 4.29Å; F723-Y862 AromaticContact CE2-CE1 3.46Å; F723-Y862 HydrophobicContact CE2-CE1 3.46Å; F723-Y862 VanDerWaalsContact CE2-CE1 3.46Å; F723-Y862 HydrophobicContact CZ-CD1 4.5Å; F723-Y862 AromaticContact CZ-CE1 3.58Å; F723-Y862 HydrophobicContact CZ-CE1 3.58Å; T858-Y862 HydrophobicContact CG2-CD1 4.24Å; S859-Y862 PolarHBondContact O-N 3.39Å; Y860-Y862 VanDerWaalsContact C-N 3.32Å; Y860-Y862 PolarHBondContact O-N 3.28Å; Y862-V888 WeakPolarHBondContact CB-O 3.34Å; Y862-V888 PolarHBondContact O-N 2.74Å; Y862-F892 HydrophobicContact CD1-CB 4.44Å |
| 863 | R | 89.9 | Confident | 92.7 | Very high | 119 Ų | 119 | 31.1 Ų | 31.1 | 45% | 0.449 | 14% | 0.136 | S | C | . | . | trans | -82.9 | -44 | -177.9 | -62.6 | 177.3 | 179.1 | -178.7 | -0.4 | 112.3 | S859 G861 G885 P887 | S859-R863 PolarHBondContact OG-N 3.45Å; G861-R863 VanDerWaalsContact C-N 3.3Å; G861-R863 PolarHBondContact O-N 3.41Å; R863-G885 VanDerWaalsContact CD-O 3.26Å; R863-G885 WeakPolarHBondContact CD-O 3.4Å; R863-G885 WeakPolarHBondContact CG-O 3.35Å; R863-P887 HydrophobicContact CG-CG 4.03Å | ||
| 864 | D | 93.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.7 | -179.2 | -56.3 | -65.1 | 0 | 0 | 0 | 110.6 | R682 S683 S859 W879 | R682-D864 WeakPolarHBondContact CB-OD1 3.49Å; R682-D864 WeakPolarHBondContact CD-OD1 3.01Å; R682-D864 WeakPolarHBondContact CG-OD1 3.34Å; S683-D864 PolarHBondContact N-OD2 2.99Å; S683-D864 VanDerWaalsContact N-OD2 3.1Å; S859-D864 PolarHBondContact N-O 2.97Å; S859-D864 WeakPolarHBondContact OG-CA 3.45Å; S859-D864 WeakPolarHBondContact OG-CB 3.48Å; S859-D864 PolarHBondContact OG-N 3.29Å; S859-D864 PolarHBondContact OG-O 2.87Å; D864-W879 PolarHBondContact OD1-NE1 3.24Å |
| 865 | A | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | W879 T880 S896 | A865-W879 CarbonylContact O-C 3.57Å; A865-W879 WeakPolarHBondContact O-CA 3.5Å; A865-T880 VanDerWaalsContact CB-OG1 3.31Å; A865-T880 WeakPolarHBondContact CB-OG1 3.29Å; A865-T880 PolarHBondContact N-O 3.22Å; A865-T880 PolarHBondContact O-N 2.84Å; A865-T880 PolarHBondContact O-OG1 3.12Å; A865-S896 WeakPolarHBondContact CB-OG 3.2Å |
| 866 | W | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.2 | -174.5 | -63.4 | 78.1 | 0 | 0 | 0 | 110.7 | R682 S683 V687 L789 T856 G857 I868 I878 W879 | R682-W866 HydrophobicContact CB-CH2 4.5Å; R682-W866 HydrophobicContact CB-CZ2 3.6Å; S683-W866 PolarHBondContact O-NE1 2.67Å; V687-W866 HydrophobicContact CG1-CB 3.9Å; L789-W866 HydrophobicContact CB-CH2 3.96Å; L789-W866 HydrophobicContact CB-CZ3 3.54Å; L789-W866 HydrophobicContact CD1-CE3 3.57Å; L789-W866 HydrophobicContact CD1-CH2 4.47Å; L789-W866 HydrophobicContact CD1-CZ3 3.3Å; L789-W866 HydrophobicContact CG-CZ3 3.98Å; T856-W866 WeakPolarHBondContact CA-O 3.41Å; G857-W866 PolarHBondContact N-O 3.39Å; G857-W866 PolarHBondContact O-N 2.95Å; W866-I868 HydrophobicContact CE3-CD1 4.35Å; W866-I878 WeakPolarHBondContact CA-O 3.33Å; W866-W879 HydrophobicContact CD2-CB 4.46Å; W866-W879 AromaticContact CD2-CD1 3.91Å; W866-W879 AromaticContact CE2-CD1 3.57Å; W866-W879 HydrophobicContact CE3-CB 4.41Å; W866-W879 AromaticContact CZ2-CD1 3.99Å; W866-W879 AromaticContact NE1-CD1 3.66Å |
| 867 | A | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 125.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | K855 T856 I878 A897 V898 L901 | K855-A867 WeakPolarHBondContact O-CA 3.41Å; T856-A867 HydrophobicContact CG2-CB 4.46Å; A867-I878 HydrophobicContact CB-CB 4.49Å; A867-I878 PolarHBondContact N-O 2.77Å; A867-I878 PolarHBondContact O-N 2.9Å; A867-A897 HydrophobicContact CB-CB 3.6Å; A867-V898 HydrophobicContact CB-CG2 4.03Å; A867-L901 HydrophobicContact CB-CB 4.29Å; A867-L901 HydrophobicContact CB-CD2 4.08Å |
| 868 | I | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.6 | 171.8 | -47.6 | -62.6 | 0 | 0 | 0 | 107.8 | V687 L789 M792 Y796 W854 K855 W866 V875 I876 | V687-I868 HydrophobicContact CB-CG1 4.45Å; V687-I868 HydrophobicContact CG1-CG1 4.2Å; L789-I868 HydrophobicContact CD1-CD1 3.62Å; M792-I868 HydrophobicContact CG-CD1 4.12Å; M792-I868 HydrophobicContact CG-CG1 4.02Å; Y796-I868 HydrophobicContact CD1-CB 4.04Å; Y796-I868 HydrophobicContact CD1-CG2 3.5Å; Y796-I868 HydrophobicContact CD2-CB 4.28Å; Y796-I868 HydrophobicContact CD2-CG1 4.33Å; Y796-I868 HydrophobicContact CD2-CG2 3.83Å; Y796-I868 HydrophobicContact CE1-CB 3.9Å; Y796-I868 HydrophobicContact CE1-CG2 3.91Å; Y796-I868 HydrophobicContact CE2-CB 4.15Å; Y796-I868 HydrophobicContact CE2-CG1 4.06Å; Y796-I868 HydrophobicContact CE2-CG2 4.21Å; Y796-I868 HydrophobicContact CG-CB 4.22Å; Y796-I868 HydrophobicContact CG-CG2 3.44Å; Y796-I868 VanDerWaalsContact CG-CG2 3.44Å; W854-I868 CarbonylContact C-O 3.55Å; W854-I868 VanDerWaalsContact CA-O 3.26Å; W854-I868 WeakPolarHBondContact CA-O 3.39Å; W854-I868 WeakPolarHBondContact CB-O 3.46Å; K855-I868 PolarHBondContact N-O 3.26Å; K855-I868 PolarHBondContact O-N 3.22Å; W866-I868 HydrophobicContact CE3-CD1 4.35Å; I868-V875 HydrophobicContact CG2-CG1 3.99Å; I868-I876 CarbonylContact C-O 3.21Å; I868-I876 WeakPolarHBondContact CA-O 3.4Å |
| 869 | G | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 148.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A853 V875 I876 | A853-G869 CarbonylContact O-C 3.56Å; A853-G869 WeakPolarHBondContact O-CA 3.39Å; G869-V875 CarbonylContact O-C 3.52Å; G869-V875 WeakPolarHBondContact O-CA 3.39Å; G869-I876 PolarHBondContact N-O 3.49Å; G869-I876 PolarHBondContact O-N 3.25Å |
| 870 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 100.2 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 106.5 | Y796 A800 A853 V875 | Y796-V870 HydrophobicContact CD1-CG2 4Å; A800-V870 HydrophobicContact CB-CG1 3.68Å; A853-V870 PolarHBondContact N-O 2.57Å; A853-V870 PolarHBondContact O-N 3.12Å; V870-V875 HydrophobicContact CG1-CG2 4.19Å; V870-V875 HydrophobicContact CG2-CG1 4.45Å; V870-V875 HydrophobicContact CG2-CG2 4.04Å |
| 871 | N | 94.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | trans | -90.5 | -167.7 | 173 | 75.2 | 21.8 | 0 | 0 | 0 | 110.1 | R831 L852 R873 Y874 N905 | R831-N871 PolarHBondContact NH2-O 3.47Å; L852-N871 HydrophobicContact CD1-CB 3.94Å; N871-R873 VanDerWaalsContact C-N 3.26Å; N871-R873 PolarHBondContact O-N 3.11Å; N871-R873 PolarHBondContact OD1-N 3.38Å; N871-Y874 PolarHBondContact N-O 2.87Å; N871-Y874 PolarHBondContact OD1-N 3.04Å; N871-Y874 PolarHBondContact OD1-O 2.95Å; N871-N905 WeakPolarHBondContact CB-OD1 3.46Å; N871-N905 PolarHBondContact ND2-OD1 2.78Å | ||
| 872 | A | 92.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 3% | 0.025 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -56.1 | -34.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H652 V849 L915 P916 | H652-A872 PolarHBondContact NE2-O 2.69Å; V849-A872 HydrophobicContact CG1-CB 3.38Å; A872-L915 HydrophobicContact CB-CB 3.95Å; A872-L915 HydrophobicContact CB-CD1 4.3Å; A872-L915 HydrophobicContact CB-CD2 4.11Å; A872-L915 HydrophobicContact CB-CG 4.35Å; A872-P916 WeakPolarHBondContact O-CD 3.43Å; A872-P916 WeakPolarHBondContact O-CG 3.41Å |
| 873 | R | 94.4 | Very high | 95.8 | Very high | 64 Ų | 64 | 12.5 Ų | 12.5 | 24% | 0.242 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -125.1 | -26.6 | -173 | -176.7 | 170.9 | 177.1 | 165.6 | 2.4 | 115 | D651 H652 T653 N871 L915 P916 | D651-R873 IonicContact OD1-NE 2.93Å; D651-R873 IonicContact OD2-CZ 2.62Å; D651-R873 VanDerWaalsContact OD2-CZ 3.29Å; D651-R873 IonicContact OD2-NE 2.94Å; D651-R873 PolarHBondContact OD2-NE 3.19Å; D651-R873 IonicContact OD2-NH2 2.7Å; D651-R873 PolarHBondContact OD2-NH2 3Å; H652-R873 PolarHBondContact CD2-O 3.01Å; H652-R873 PolarHBondContact N-O 3.47Å; H652-R873 WeakPolarHBondContact NE2-CA 3.22Å; H652-R873 PolarHBondContact NE2-O 2.77Å; T653-R873 HydrophobicContact CG2-CG 4.4Å; N871-R873 VanDerWaalsContact C-N 3.26Å; N871-R873 PolarHBondContact O-N 3.11Å; N871-R873 PolarHBondContact OD1-N 3.38Å; R873-L915 HydrophobicContact CB-CD2 4.47Å; R873-P916 HydrophobicContact CB-CG 4.32Å |
| 874 | Y | 96.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 10 Ų | 10 | 5% | 0.051 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.9 | -171.5 | -58.8 | -77 | 0 | 0 | 0 | 112.4 | V649 V650 D651 R658 N871 L908 S912 | V649-Y874 HydrophobicContact CG1-CD1 3.85Å; V649-Y874 HydrophobicContact CG1-CG 4.18Å; V650-Y874 CarbonylContact O-C 3.11Å; V650-Y874 WeakPolarHBondContact O-CA 3.42Å; D651-Y874 HydrophobicContact CB-CD1 4.06Å; D651-Y874 HydrophobicContact CB-CE1 3.88Å; R658-Y874 HydrophobicContact CG-CE1 4.13Å; N871-Y874 PolarHBondContact N-O 2.87Å; N871-Y874 PolarHBondContact OD1-N 3.04Å; N871-Y874 PolarHBondContact OD1-O 2.95Å; Y874-L908 HydrophobicContact CD2-CB 3.92Å; Y874-L908 HydrophobicContact CD2-CD1 4.07Å; Y874-L908 HydrophobicContact CD2-CD2 4.1Å; Y874-L908 HydrophobicContact CD2-CG 4.25Å; Y874-L908 HydrophobicContact CE2-CB 4.15Å; Y874-L908 HydrophobicContact CE2-CD2 4.07Å; Y874-L908 HydrophobicContact CG-CD1 4.06Å; Y874-L908 HydrophobicContact CG-CD2 4.34Å; Y874-S912 WeakPolarHBondContact CE2-OG 3.34Å |
| 875 | V | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130 | 157.8 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | V649 V650 H652 A793 T797 I868 G869 V870 | V649-V875 WeakPolarHBondContact CA-O 3.27Å; V650-V875 HydrophobicContact CB-CB 4.47Å; V650-V875 PolarHBondContact N-O 2.94Å; V650-V875 PolarHBondContact O-N 2.81Å; H652-V875 HydrophobicContact CB-CG2 4.16Å; A793-V875 HydrophobicContact CB-CG1 4.28Å; T797-V875 HydrophobicContact CG2-CB 4.39Å; T797-V875 HydrophobicContact CG2-CG2 3.79Å; I868-V875 HydrophobicContact CG2-CG1 3.99Å; G869-V875 CarbonylContact O-C 3.52Å; G869-V875 WeakPolarHBondContact O-CA 3.39Å; V870-V875 HydrophobicContact CG1-CG2 4.19Å; V870-V875 HydrophobicContact CG2-CG1 4.45Å; V870-V875 HydrophobicContact CG2-CG2 4.04Å |
| 876 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | -178.9 | -51.2 | 161.2 | 0 | 0 | 0 | 107.2 | I648 V649 I868 G869 I878 L901 V904 N905 L908 | I648-I876 WeakPolarHBondContact O-CA 3.21Å; V649-I876 HydrophobicContact CG2-CG2 4.48Å; I868-I876 CarbonylContact C-O 3.21Å; I868-I876 WeakPolarHBondContact CA-O 3.4Å; G869-I876 PolarHBondContact N-O 3.49Å; G869-I876 PolarHBondContact O-N 3.25Å; I876-I878 HydrophobicContact CG2-CD1 3.94Å; I876-I878 HydrophobicContact CG2-CG1 4.25Å; I876-L901 HydrophobicContact CB-CD1 3.53Å; I876-L901 HydrophobicContact CD1-CD1 4.05Å; I876-L901 HydrophobicContact CG1-CD1 4.42Å; I876-L901 HydrophobicContact CG2-CD1 3.53Å; I876-V904 HydrophobicContact CD1-CG1 4.17Å; I876-V904 HydrophobicContact CG1-CG1 4.25Å; I876-V904 HydrophobicContact CG2-CB 4.07Å; I876-V904 HydrophobicContact CG2-CG1 3.6Å; I876-N905 HydrophobicContact CD1-CB 3.85Å; I876-L908 HydrophobicContact CD1-CD1 3.65Å; I876-L908 HydrophobicContact CG1-CD1 3.66Å |
| 877 | G | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | M647 I648 | M647-G877 CarbonylContact C-O 3.54Å; M647-G877 VanDerWaalsContact CA-O 3.26Å; M647-G877 WeakPolarHBondContact CA-O 3.37Å; I648-G877 PolarHBondContact N-O 2.87Å; I648-G877 PolarHBondContact O-N 3.48Å |
| 878 | I | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.9 | 177.5 | -50.8 | -64.3 | 0 | 0 | 0 | 109.4 | A646 M647 W866 A867 I876 T880 A897 L900 L901 V904 | A646-I878 WeakPolarHBondContact O-CA 2.87Å; M647-I878 HydrophobicContact CB-CD1 3.92Å; M647-I878 HydrophobicContact CG-CD1 3.52Å; M647-I878 HydrophobicContact SD-CD1 3.91Å; W866-I878 WeakPolarHBondContact CA-O 3.33Å; A867-I878 HydrophobicContact CB-CB 4.49Å; A867-I878 PolarHBondContact N-O 2.77Å; A867-I878 PolarHBondContact O-N 2.9Å; I876-I878 HydrophobicContact CG2-CD1 3.94Å; I876-I878 HydrophobicContact CG2-CG1 4.25Å; I878-T880 HydrophobicContact CG2-CG2 4.49Å; I878-A897 HydrophobicContact CB-CB 4.31Å; I878-A897 HydrophobicContact CG2-CB 3.92Å; I878-L900 HydrophobicContact CG2-CB 3.94Å; I878-L900 HydrophobicContact CG2-CD1 4.08Å; I878-L901 HydrophobicContact CG1-CB 3.98Å; I878-L901 HydrophobicContact CG1-CD1 4.27Å; I878-V904 HydrophobicContact CD1-CG2 4.19Å |
| 879 | W | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.3 | 167.4 | 172.7 | 91.5 | 0 | 0 | 0 | 110.1 | L645 A646 M677 L789 D864 A865 W866 G881 P883 | L645-W879 CarbonylContact C-O 3.55Å; L645-W879 WeakPolarHBondContact CA-O 3.45Å; A646-W879 HydrophobicContact CB-CB 4.44Å; A646-W879 HydrophobicContact CB-CE3 4.33Å; A646-W879 PolarHBondContact N-O 3.3Å; A646-W879 PolarHBondContact O-N 2.99Å; M677-W879 HydrophobicContact CB-CD2 4.44Å; M677-W879 HydrophobicContact CB-CE3 3.72Å; M677-W879 HydrophobicContact CB-CZ3 3.82Å; M677-W879 HydrophobicContact CE-CD2 3.81Å; M677-W879 VanDerWaalsContact CE-CE2 3.48Å; M677-W879 HydrophobicContact CE-CE3 3.8Å; M677-W879 HydrophobicContact CE-CH2 3.19Å; M677-W879 HydrophobicContact CE-CZ2 3.18Å; M677-W879 HydrophobicContact CE-CZ3 3.52Å; M677-W879 HydrophobicContact CG-CE3 4Å; M677-W879 HydrophobicContact CG-CH2 4.01Å; M677-W879 HydrophobicContact CG-CZ3 3.53Å; M677-W879 HydrophobicContact SD-CH2 4.03Å; M677-W879 HydrophobicContact SD-CZ3 4.17Å; L789-W879 HydrophobicContact CD2-CB 4.15Å; D864-W879 PolarHBondContact OD1-NE1 3.24Å; A865-W879 CarbonylContact O-C 3.57Å; A865-W879 WeakPolarHBondContact O-CA 3.5Å; W866-W879 HydrophobicContact CD2-CB 4.46Å; W866-W879 AromaticContact CD2-CD1 3.91Å; W866-W879 AromaticContact CE2-CD1 3.57Å; W866-W879 HydrophobicContact CE3-CB 4.41Å; W866-W879 AromaticContact CZ2-CD1 3.99Å; W866-W879 AromaticContact NE1-CD1 3.66Å; W879-G881 VanDerWaalsContact CH2-O 3.27Å; W879-G881 WeakPolarHBondContact CH2-O 3.27Å; W879-P883 HydrophobicContact CH2-CG 4.37Å |
| 880 | T | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.1 | 170.6 | 58.2 | 0 | 0 | 0 | 0 | 109.4 | L645 A865 I878 S896 L900 | L645-T880 HydrophobicContact CB-CG2 3.95Å; A865-T880 VanDerWaalsContact CB-OG1 3.31Å; A865-T880 WeakPolarHBondContact CB-OG1 3.29Å; A865-T880 PolarHBondContact N-O 3.22Å; A865-T880 PolarHBondContact O-N 2.84Å; A865-T880 PolarHBondContact O-OG1 3.12Å; I878-T880 HydrophobicContact CG2-CG2 4.49Å; T880-S896 PolarHBondContact OG1-OG 2.85Å; T880-L900 HydrophobicContact CG2-CD1 3.75Å |
| 881 | G | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -167.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S643 S644 W879 | S643-G881 CarbonylContact C-O 3.47Å; S643-G881 VanDerWaalsContact CA-O 3.3Å; S643-G881 WeakPolarHBondContact CA-O 3.43Å; S643-G881 WeakPolarHBondContact CB-O 3.42Å; S644-G881 PolarHBondContact N-O 3.49Å; S644-G881 PolarHBondContact O-N 2.91Å; W879-G881 VanDerWaalsContact CH2-O 3.27Å; W879-G881 WeakPolarHBondContact CH2-O 3.27Å |
| 882 | R | 94.7 | Very high | 90 | Very high | 37 Ų | 37 | 28.1 Ų | 28.1 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | trans | -98.6 | 129.1 | 174.9 | -71.9 | 176.3 | 61.3 | 131.8 | -8.8 | 111.4 | P641 D884 G885 V888 | P641-R882 PolarHBondContact O-NH1 3.47Å; R882-D884 VanDerWaalsContact CB-OD1 3.23Å; R882-D884 WeakPolarHBondContact CB-OD1 3.37Å; R882-D884 IonicContact CZ-OD1 3.6Å; R882-D884 IonicContact CZ-OD2 3.7Å; R882-D884 IonicContact NE-OD1 3.31Å; R882-D884 PolarHBondContact NE-OD1 3.37Å; R882-D884 VanDerWaalsContact NE-OD1 3.16Å; R882-D884 IonicContact NE-OD2 3.8Å; R882-D884 PolarHBondContact NE-OD2 3.48Å; R882-D884 IonicContact NH2-OD1 2.79Å; R882-D884 IonicContact NH2-OD2 3.73Å; R882-D884 PolarHBondContact NH2-OD2 3.46Å; R882-D884 PolarHBondContact O-N 3Å; R882-D884 VanDerWaalsContact O-N 3.1Å; R882-G885 PolarHBondContact O-N 3.04Å; R882-V888 HydrophobicContact CB-CG2 4.43Å; R882-V888 HydrophobicContact CG-CG2 3.57Å | ||
| 883 | P | 94.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 28 Ų | 28 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.3 | 176.2 | -28.5 | 38.9 | 0 | 0 | 0 | 114.8 | R671 F672 M677 R682 W879 G885 | R671-P883 WeakPolarHBondContact O-CG 3.42Å; F672-P883 HydrophobicContact CB-CB 3.83Å; F672-P883 HydrophobicContact CB-CG 4.2Å; F672-P883 HydrophobicContact CD2-CB 4.1Å; F672-P883 HydrophobicContact CG-CB 4.24Å; M677-P883 HydrophobicContact CG-CG 4.26Å; M677-P883 HydrophobicContact SD-CB 3.87Å; M677-P883 HydrophobicContact SD-CG 4.05Å; R682-P883 PolarHBondContact NH1-O 3.23Å; R682-P883 VanDerWaalsContact NH2-C 3.34Å; R682-P883 PolarHBondContact NH2-O 2.93Å; W879-P883 HydrophobicContact CH2-CG 4.37Å; P883-G885 VanDerWaalsContact C-N 3.31Å |
| 884 | D | 92.7 | Very high | 87.8 | Confident | 67 Ų | 67 | 29.8 Ų | 29.8 | 36% | 0.358 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.6 | 172 | 62.9 | 16 | 0 | 0 | 0 | 113.8 | F672 R882 T886 | F672-D884 HydrophobicContact CE2-CB 3.89Å; F672-D884 HydrophobicContact CZ-CB 4.3Å; R882-D884 VanDerWaalsContact CB-OD1 3.23Å; R882-D884 WeakPolarHBondContact CB-OD1 3.37Å; R882-D884 IonicContact CZ-OD1 3.6Å; R882-D884 IonicContact CZ-OD2 3.7Å; R882-D884 IonicContact NE-OD1 3.31Å; R882-D884 PolarHBondContact NE-OD1 3.37Å; R882-D884 VanDerWaalsContact NE-OD1 3.16Å; R882-D884 IonicContact NE-OD2 3.8Å; R882-D884 PolarHBondContact NE-OD2 3.48Å; R882-D884 IonicContact NH2-OD1 2.79Å; R882-D884 IonicContact NH2-OD2 3.73Å; R882-D884 PolarHBondContact NH2-OD2 3.46Å; R882-D884 PolarHBondContact O-N 3Å; R882-D884 VanDerWaalsContact O-N 3.1Å; D884-T886 VanDerWaalsContact C-N 3.32Å; D884-T886 WeakPolarHBondContact OD1-CB 3.04Å; D884-T886 PolarHBondContact OD1-N 3.31Å; D884-T886 PolarHBondContact OD1-OG1 2.94Å; D884-T886 PolarHBondContact OD2-OG1 2.92Å |
| 885 | G | 91.2 | Very high | 86.9 | Confident | 18 Ų | 18 | 31.5 Ų | 31.5 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | trans | 78.1 | 9.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R863 R882 P883 | R863-G885 VanDerWaalsContact CD-O 3.26Å; R863-G885 WeakPolarHBondContact CD-O 3.4Å; R863-G885 WeakPolarHBondContact CG-O 3.35Å; R882-G885 PolarHBondContact O-N 3.04Å; P883-G885 VanDerWaalsContact C-N 3.31Å | ||
| 886 | T | 92 | Very high | 86.2 | Confident | 59 Ų | 59 | 32 Ų | 32 | 36% | 0.362 | 20% | 0.195 | S | C | . | . | trans | -67 | 133.5 | 175.8 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | D884 | D884-T886 VanDerWaalsContact C-N 3.32Å; D884-T886 WeakPolarHBondContact OD1-CB 3.04Å; D884-T886 PolarHBondContact OD1-N 3.31Å; D884-T886 PolarHBondContact OD1-OG1 2.94Å; D884-T886 PolarHBondContact OD2-OG1 2.92Å | ||
| 887 | P | 88.8 | Confident | 85.9 | Confident | 64 Ų | 64 | 32 Ų | 32 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | trans | -48.1 | 135.5 | 170.6 | -35.2 | 41 | 0 | 0 | 0 | 114.3 | G861 R863 | G861-P887 WeakPolarHBondContact O-CA 3.17Å; G861-P887 WeakPolarHBondContact O-CB 3.42Å; R863-P887 HydrophobicContact CG-CG 4.03Å | ||
| 888 | V | 83.1 | Confident | 85.5 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.085 | 20% | 0.198 | C | C | . | . | trans | -121.7 | 88.4 | 171.9 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | P640 Y862 R882 G890 Q891 | P640-V888 HydrophobicContact CB-CG1 4Å; P640-V888 HydrophobicContact CG-CG1 3.77Å; Y862-V888 WeakPolarHBondContact CB-O 3.34Å; Y862-V888 PolarHBondContact O-N 2.74Å; R882-V888 HydrophobicContact CB-CG2 4.43Å; R882-V888 HydrophobicContact CG-CG2 3.57Å; V888-G890 PolarHBondContact O-N 3.38Å; V888-Q891 HydrophobicContact CB-CB 4.1Å; V888-Q891 HydrophobicContact CB-CG 4.27Å; V888-Q891 HydrophobicContact CG1-CB 3.99Å; V888-Q891 HydrophobicContact CG1-CG 3.63Å; V888-Q891 PolarHBondContact O-N 3.41Å | ||
| 889 | V | 75.9 | Confident | 85.2 | Confident | 126 Ų | 126 | 34.5 Ų | 34.5 | 76% | 0.764 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 133 | 179.7 | -177 | 0 | 0 | 0 | 0 | 109.8 | Q891 | V889-Q891 VanDerWaalsContact C-N 3.33Š|
| 890 | G | 69.7 | Low | 85 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -15.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V888 F892 | V888-G890 PolarHBondContact O-N 3.38Å; G890-F892 WeakPolarHBondContact O-CD1 3.49Å |
| 891 | Q | 70.6 | Confident | 85 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | trans | -88.2 | 113.9 | 168.4 | -74.5 | -159.3 | -32.2 | 0 | 0 | 111.2 | P640 V888 V889 | P640-Q891 HydrophobicContact CG-CG 4.14Å; V888-Q891 HydrophobicContact CB-CB 4.1Å; V888-Q891 HydrophobicContact CB-CG 4.27Å; V888-Q891 HydrophobicContact CG1-CB 3.99Å; V888-Q891 HydrophobicContact CG1-CG 3.63Å; V888-Q891 PolarHBondContact O-N 3.41Å; V889-Q891 VanDerWaalsContact C-N 3.33Å | ||
| 892 | F | 72 | Confident | 84.9 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | trans | -137.8 | 164.1 | 169.7 | 54.3 | -85.4 | 0 | 0 | 0 | 109.4 | F723 T858 Y862 G890 F894 A895 S896 | F723-F892 HydrophobicContact CE1-CD2 4.48Å; F723-F892 HydrophobicContact CZ-CB 4.02Å; F723-F892 HydrophobicContact CZ-CD1 4.29Å; F723-F892 HydrophobicContact CZ-CD2 4.36Å; F723-F892 AromaticContact CZ-CG 3.99Å; F723-F892 HydrophobicContact CZ-CG 3.99Å; T858-F892 HydrophobicContact CG2-CB 3.64Å; T858-F892 WeakPolarHBondContact OG1-CB 3.48Å; Y862-F892 HydrophobicContact CD1-CB 4.44Å; G890-F892 WeakPolarHBondContact O-CD1 3.49Å; F892-F894 VanDerWaalsContact C-N 3.3Å; F892-F894 HydrophobicContact CD2-CB 4.01Å; F892-F894 HydrophobicContact CE2-CB 3.96Å; F892-F894 PolarHBondContact O-N 2.92Å; F892-A895 HydrophobicContact CD1-CB 4.17Å; F892-A895 HydrophobicContact CD2-CB 4.17Å; F892-A895 HydrophobicContact CE1-CB 3.83Å; F892-A895 HydrophobicContact CE2-CB 3.84Å; F892-A895 HydrophobicContact CG-CB 4.32Å; F892-A895 HydrophobicContact CZ-CB 3.66Å; F892-A895 PolarHBondContact O-N 2.79Å; F892-A895 VanDerWaalsContact O-N 3.12Å; F892-S896 PolarHBondContact O-N 2.97Å; F892-S896 VanDerWaalsContact O-N 3.09Å; F892-S896 PolarHBondContact O-OG 2.77Å | ||
| 893 | G | 64.4 | Low | 84.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -52.2 | -45.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T858 A897 V898 | T858-G893 PolarHBondContact OG1-N 3.3Å; T858-G893 VanDerWaalsContact OG1-N 3.12Å; G893-A897 WeakPolarHBondContact O-CA 3.36Å; G893-A897 WeakPolarHBondContact O-CB 3.31Å; G893-A897 PolarHBondContact O-N 3.41Å; G893-V898 PolarHBondContact O-N 3.43Å |
| 894 | F | 76.5 | Confident | 84.9 | Confident | 103 Ų | 103 | 38.2 Ų | 38.2 | 45% | 0.452 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -66.4 | -40.2 | -179.1 | -172.4 | -96.1 | 0 | 0 | 0 | 113.5 | W854 T856 F892 V898 P899 | W854-F894 AromaticContact CH2-CD2 3.73Å; W854-F894 HydrophobicContact CH2-CD2 3.73Å; W854-F894 AromaticContact CH2-CE2 3.82Å; W854-F894 HydrophobicContact CH2-CE2 3.82Å; W854-F894 HydrophobicContact CZ2-CE2 4.46Å; W854-F894 HydrophobicContact CZ3-CD2 4.25Å; T856-F894 HydrophobicContact CG2-CB 4.4Å; F892-F894 VanDerWaalsContact C-N 3.3Å; F892-F894 HydrophobicContact CD2-CB 4.01Å; F892-F894 HydrophobicContact CE2-CB 3.96Å; F892-F894 PolarHBondContact O-N 2.92Å; F894-V898 HydrophobicContact CD2-CG2 4.37Å; F894-P899 WeakPolarHBondContact O-CD 3.32Å |
| 895 | A | 77.1 | Confident | 85.1 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -78.4 | -28 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F892 | F892-A895 HydrophobicContact CD1-CB 4.17Å; F892-A895 HydrophobicContact CD2-CB 4.17Å; F892-A895 HydrophobicContact CE1-CB 3.83Å; F892-A895 HydrophobicContact CE2-CB 3.84Å; F892-A895 HydrophobicContact CG-CB 4.32Å; F892-A895 HydrophobicContact CZ-CB 3.66Å; F892-A895 PolarHBondContact O-N 2.79Å; F892-A895 VanDerWaalsContact O-N 3.12Å |
| 896 | S | 84.2 | Confident | 85 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -119.9 | -40.3 | -170.2 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | A865 T880 F892 | A865-S896 WeakPolarHBondContact CB-OG 3.2Å; T880-S896 PolarHBondContact OG1-OG 2.85Å; F892-S896 PolarHBondContact O-N 2.97Å; F892-S896 VanDerWaalsContact O-N 3.09Å; F892-S896 PolarHBondContact O-OG 2.77Å |
| 897 | A | 92.1 | Very high | 85 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -91.1 | -34.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A867 I878 G893 L900 L901 | A867-A897 HydrophobicContact CB-CB 3.6Å; I878-A897 HydrophobicContact CB-CB 4.31Å; I878-A897 HydrophobicContact CG2-CB 3.92Å; G893-A897 WeakPolarHBondContact O-CA 3.36Å; G893-A897 WeakPolarHBondContact O-CB 3.31Å; G893-A897 PolarHBondContact O-N 3.41Å; A897-L900 WeakPolarHBondContact O-CB 3.38Å; A897-L900 PolarHBondContact O-N 3.34Å; A897-L901 WeakPolarHBondContact O-CB 3.37Å; A897-L901 PolarHBondContact O-N 3.36Å |
| 898 | V | 91.7 | Very high | 85.2 | Confident | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 113.4 | W854 T856 A867 G893 F894 L900 L901 N902 | W854-V898 HydrophobicContact CE3-CG2 3.84Å; W854-V898 HydrophobicContact CH2-CG2 4.22Å; W854-V898 HydrophobicContact CZ3-CG2 3.6Å; T856-V898 HydrophobicContact CG2-CG2 3.35Å; A867-V898 HydrophobicContact CB-CG2 4.03Å; G893-V898 PolarHBondContact O-N 3.43Å; F894-V898 HydrophobicContact CD2-CG2 4.37Å; V898-L900 VanDerWaalsContact C-N 3.28Å; V898-L900 PolarHBondContact O-N 3.3Å; V898-L901 WeakPolarHBondContact O-CB 3.04Å; V898-L901 PolarHBondContact O-N 2.94Å; V898-L901 VanDerWaalsContact O-N 3.15Å; V898-N902 PolarHBondContact O-N 3.47Å |
| 899 | P | 89.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.8 | -26.3 | 36.1 | 0 | 0 | 0 | 113.1 | W635 F894 Q903 | W635-P899 HydrophobicContact CH2-CB 3.74Å; W635-P899 HydrophobicContact CH2-CG 4.48Å; W635-P899 HydrophobicContact CZ2-CB 3.91Å; F894-P899 WeakPolarHBondContact O-CD 3.32Å; P899-Q903 WeakPolarHBondContact O-CG 3.44Å; P899-Q903 PolarHBondContact O-N 3.23Å; P899-Q903 VanDerWaalsContact O-N 3.17Å; P899-Q903 PolarHBondContact O-NE2 3.05Å |
| 900 | L | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 172.2 | -81.1 | 167 | 0 | 0 | 0 | 111.2 | L631 W635 L645 I878 T880 A897 V898 N902 Q903 V904 | L631-L900 HydrophobicContact CD2-CD2 4.36Å; L631-L900 HydrophobicContact CG-CD2 4.27Å; W635-L900 HydrophobicContact CB-CD2 4.34Å; W635-L900 VanDerWaalsContact CD1-CD2 3.48Å; W635-L900 HydrophobicContact CD2-CD1 4.41Å; W635-L900 HydrophobicContact CD2-CD2 3.6Å; W635-L900 HydrophobicContact CD2-CG 3.9Å; W635-L900 HydrophobicContact CE3-CD1 4.39Å; W635-L900 HydrophobicContact CE3-CD2 4.36Å; W635-L900 HydrophobicContact CE3-CG 4.22Å; W635-L900 HydrophobicContact CG-CD2 3.57Å; W635-L900 HydrophobicContact CG-CG 4.37Å; W635-L900 HydrophobicContact CH2-CG 4.35Å; W635-L900 HydrophobicContact CZ2-CD2 4.21Å; W635-L900 HydrophobicContact CZ2-CG 4.02Å; W635-L900 HydrophobicContact CZ3-CG 4.43Å; L645-L900 HydrophobicContact CB-CD1 4.43Å; L645-L900 HydrophobicContact CD2-CD1 3.77Å; L645-L900 HydrophobicContact CD2-CD2 4.2Å; I878-L900 HydrophobicContact CG2-CB 3.94Å; I878-L900 HydrophobicContact CG2-CD1 4.08Å; T880-L900 HydrophobicContact CG2-CD1 3.75Å; A897-L900 WeakPolarHBondContact O-CB 3.38Å; A897-L900 PolarHBondContact O-N 3.34Å; V898-L900 VanDerWaalsContact C-N 3.28Å; V898-L900 PolarHBondContact O-N 3.3Å; L900-N902 VanDerWaalsContact C-N 3.31Å; L900-N902 PolarHBondContact O-N 3.34Å; L900-Q903 PolarHBondContact O-N 3.19Å; L900-V904 WeakPolarHBondContact O-CG2 3.44Å; L900-V904 PolarHBondContact O-N 3.44Å |
| 901 | L | 95.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54 | -46.7 | 176.2 | 175.8 | 66.7 | 0 | 0 | 0 | 111.7 | L852 W854 A867 I876 I878 A897 V898 V904 N905 | L852-L901 HydrophobicContact CD2-CG 4.48Å; W854-L901 HydrophobicContact CB-CD2 3.71Å; W854-L901 HydrophobicContact CG-CD2 4.21Å; A867-L901 HydrophobicContact CB-CB 4.29Å; A867-L901 HydrophobicContact CB-CD2 4.08Å; I876-L901 HydrophobicContact CB-CD1 3.53Å; I876-L901 HydrophobicContact CD1-CD1 4.05Å; I876-L901 HydrophobicContact CG1-CD1 4.42Å; I876-L901 HydrophobicContact CG2-CD1 3.53Å; I878-L901 HydrophobicContact CG1-CB 3.98Å; I878-L901 HydrophobicContact CG1-CD1 4.27Å; A897-L901 WeakPolarHBondContact O-CB 3.37Å; A897-L901 PolarHBondContact O-N 3.36Å; V898-L901 WeakPolarHBondContact O-CB 3.04Å; V898-L901 PolarHBondContact O-N 2.94Å; V898-L901 VanDerWaalsContact O-N 3.15Å; L901-V904 PolarHBondContact O-N 3.29Å; L901-N905 WeakPolarHBondContact O-CB 3.4Å; L901-N905 PolarHBondContact O-N 2.98Å |
| 902 | N | 92.8 | Very high | 85.8 | Confident | 65 Ų | 65 | 39.2 Ų | 39.2 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 179.8 | -73 | -21.2 | 0 | 0 | 0 | 112.2 | V898 L900 N905 N906 | V898-N902 PolarHBondContact O-N 3.47Å; L900-N902 VanDerWaalsContact C-N 3.31Å; L900-N902 PolarHBondContact O-N 3.34Å; N902-N905 PolarHBondContact O-N 2.91Å; N902-N906 WeakPolarHBondContact O-CB 3.38Å; N902-N906 PolarHBondContact O-N 2.81Å; N902-N906 PolarHBondContact O-ND2 3Å; N902-N906 PolarHBondContact O-OD1 3.48Å |
| 903 | Q | 93.7 | Very high | 85.6 | Confident | 66 Ų | 66 | 40.4 Ų | 40.4 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.2 | -75.2 | 172.4 | 51.9 | 0 | 0 | 111.7 | L631 W635 P899 L900 N906 I907 | L631-Q903 HydrophobicContact CD1-CB 4.25Å; L631-Q903 HydrophobicContact CD2-CB 4.18Å; W635-Q903 VanDerWaalsContact NE1-OE1 3.09Å; P899-Q903 WeakPolarHBondContact O-CG 3.44Å; P899-Q903 PolarHBondContact O-N 3.23Å; P899-Q903 VanDerWaalsContact O-N 3.17Å; P899-Q903 PolarHBondContact O-NE2 3.05Å; L900-Q903 PolarHBondContact O-N 3.19Å; Q903-N906 PolarHBondContact O-N 3.4Å; Q903-I907 WeakPolarHBondContact O-CG1 3.48Å; Q903-I907 PolarHBondContact O-N 3.41Å; Q903-I907 VanDerWaalsContact O-N 3.1Å |
| 904 | V | 95.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.1 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L628 L631 M647 V649 I876 I878 L900 L901 N906 I907 L908 | L628-V904 HydrophobicContact CD2-CB 4.32Å; L628-V904 HydrophobicContact CD2-CG1 3.86Å; L628-V904 HydrophobicContact CD2-CG2 3.66Å; L631-V904 HydrophobicContact CD2-CG2 3.7Å; M647-V904 HydrophobicContact SD-CG2 3.78Å; V649-V904 HydrophobicContact CG2-CG1 3.82Å; I876-V904 HydrophobicContact CD1-CG1 4.17Å; I876-V904 HydrophobicContact CG1-CG1 4.25Å; I876-V904 HydrophobicContact CG2-CB 4.07Å; I876-V904 HydrophobicContact CG2-CG1 3.6Å; I878-V904 HydrophobicContact CD1-CG2 4.19Å; L900-V904 WeakPolarHBondContact O-CG2 3.44Å; L900-V904 PolarHBondContact O-N 3.44Å; L901-V904 PolarHBondContact O-N 3.29Å; V904-N906 VanDerWaalsContact C-N 3.31Å; V904-N906 PolarHBondContact O-N 2.62Å; V904-I907 PolarHBondContact O-N 3.22Å; V904-L908 HydrophobicContact CG1-CD1 3.88Å; V904-L908 HydrophobicContact CG1-CG 4.39Å; V904-L908 VanDerWaalsContact O-CG 3.31Å; V904-L908 WeakPolarHBondContact O-CG 3.29Å; V904-L908 PolarHBondContact O-N 3.14Å |
| 905 | N | 95.2 | Very high | 86.6 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 176.9 | -178.2 | 65.7 | 0 | 0 | 0 | 111.9 | L852 N871 I876 L901 N902 L908 L909 | L852-N905 HydrophobicContact CD2-CB 4.12Å; N871-N905 WeakPolarHBondContact CB-OD1 3.46Å; N871-N905 PolarHBondContact ND2-OD1 2.78Å; I876-N905 HydrophobicContact CD1-CB 3.85Å; L901-N905 WeakPolarHBondContact O-CB 3.4Å; L901-N905 PolarHBondContact O-N 2.98Å; N902-N905 PolarHBondContact O-N 2.91Å; N905-L908 PolarHBondContact O-N 3.44Å; N905-L908 VanDerWaalsContact O-N 3.15Å; N905-L909 WeakPolarHBondContact ND2-CD1 3.45Å; N905-L909 WeakPolarHBondContact O-CG 3.36Å; N905-L909 PolarHBondContact O-N 2.77Å |
| 906 | N | 91.1 | Very high | 87.2 | Confident | 100 Ų | 100 | 45.5 Ų | 45.5 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.5 | -68.1 | -10.8 | 0 | 0 | 0 | 112.1 | N902 Q903 V904 L908 L909 S910 | N902-N906 WeakPolarHBondContact O-CB 3.38Å; N902-N906 PolarHBondContact O-N 2.81Å; N902-N906 PolarHBondContact O-ND2 3Å; N902-N906 PolarHBondContact O-OD1 3.48Å; Q903-N906 PolarHBondContact O-N 3.4Å; V904-N906 VanDerWaalsContact C-N 3.31Å; V904-N906 PolarHBondContact O-N 2.62Å; N906-L908 VanDerWaalsContact C-N 3.26Å; N906-L908 PolarHBondContact O-N 3.2Å; N906-L909 PolarHBondContact O-N 3.47Å; N906-S910 PolarHBondContact O-N 3.26Å; N906-S910 VanDerWaalsContact O-N 3.15Å; N906-S910 PolarHBondContact O-OG 3.13Å |
| 907 | I | 91.2 | Very high | 87.6 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 173.4 | -66.3 | 165.3 | 0 | 0 | 0 | 111.2 | L624 L631 Q903 V904 S910 R911 | L624-I907 HydrophobicContact CD1-CG2 3.78Å; L631-I907 HydrophobicContact CD2-CD1 4.35Å; Q903-I907 WeakPolarHBondContact O-CG1 3.48Å; Q903-I907 PolarHBondContact O-N 3.41Å; Q903-I907 VanDerWaalsContact O-N 3.1Å; V904-I907 PolarHBondContact O-N 3.22Å; I907-S910 PolarHBondContact O-OG 3.2Å; I907-S910 VanDerWaalsContact O-OG 3.04Å; I907-R911 WeakPolarHBondContact O-CD 3.45Å; I907-R911 VanDerWaalsContact O-CG 3.3Å; I907-R911 WeakPolarHBondContact O-CG 3.42Å |
| 908 | L | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.6 | -39.6 | -179.2 | -67.3 | 169.2 | 0 | 0 | 0 | 112.5 | L624 V649 Y874 I876 V904 N905 N906 R911 S912 | L624-L908 HydrophobicContact CD1-CD2 3.8Å; L624-L908 HydrophobicContact CD2-CD2 3.69Å; L624-L908 HydrophobicContact CG-CD2 4.42Å; V649-L908 HydrophobicContact CG1-CD1 3.69Å; V649-L908 HydrophobicContact CG1-CD2 3.89Å; V649-L908 HydrophobicContact CG1-CG 4.45Å; V649-L908 HydrophobicContact CG2-CD1 4.27Å; Y874-L908 HydrophobicContact CD2-CB 3.92Å; Y874-L908 HydrophobicContact CD2-CD1 4.07Å; Y874-L908 HydrophobicContact CD2-CD2 4.1Å; Y874-L908 HydrophobicContact CD2-CG 4.25Å; Y874-L908 HydrophobicContact CE2-CB 4.15Å; Y874-L908 HydrophobicContact CE2-CD2 4.07Å; Y874-L908 HydrophobicContact CG-CD1 4.06Å; Y874-L908 HydrophobicContact CG-CD2 4.34Å; I876-L908 HydrophobicContact CD1-CD1 3.65Å; I876-L908 HydrophobicContact CG1-CD1 3.66Å; V904-L908 HydrophobicContact CG1-CD1 3.88Å; V904-L908 HydrophobicContact CG1-CG 4.39Å; V904-L908 VanDerWaalsContact O-CG 3.31Å; V904-L908 WeakPolarHBondContact O-CG 3.29Å; V904-L908 PolarHBondContact O-N 3.14Å; N905-L908 PolarHBondContact O-N 3.44Å; N905-L908 VanDerWaalsContact O-N 3.15Å; N906-L908 VanDerWaalsContact C-N 3.26Å; N906-L908 PolarHBondContact O-N 3.2Å; L908-R911 PolarHBondContact O-N 2.86Å; L908-S912 WeakPolarHBondContact O-CB 3.26Å; L908-S912 PolarHBondContact O-N 3.22Å; L908-S912 PolarHBondContact O-OG 2.77Å |
| 909 | L | 85.3 | Confident | 87.5 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.4 | -72.6 | 177.6 | 0 | 0 | 0 | 111.6 | N905 N906 R911 S912 L915 | N905-L909 WeakPolarHBondContact ND2-CD1 3.45Å; N905-L909 WeakPolarHBondContact O-CG 3.36Å; N905-L909 PolarHBondContact O-N 2.77Å; N906-L909 PolarHBondContact O-N 3.47Å; L909-R911 PolarHBondContact O-N 2.85Å; L909-S912 PolarHBondContact O-N 3.24Å; L909-L915 HydrophobicContact CD2-CD1 4.31Å |
| 910 | S | 78.7 | Confident | 87.7 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.4 | -21.3 | 177 | 66.6 | 0 | 0 | 0 | 0 | 114 | N906 I907 | N906-S910 PolarHBondContact O-N 3.26Å; N906-S910 VanDerWaalsContact O-N 3.15Å; N906-S910 PolarHBondContact O-OG 3.13Å; I907-S910 PolarHBondContact O-OG 3.2Å; I907-S910 VanDerWaalsContact O-OG 3.04Å |
| 911 | R | 77.4 | Confident | 87.8 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 39% | 0.389 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -8.4 | 179.1 | -66.7 | 174.7 | 71.8 | 96.2 | -3.7 | 113.9 | D621 I907 L908 L909 | D621-R911 VanDerWaalsContact CG-NH2 3.35Å; D621-R911 IonicContact OD1-CZ 3.53Å; D621-R911 IonicContact OD1-NH2 2.77Å; D621-R911 PolarHBondContact OD1-NH2 3.49Å; D621-R911 IonicContact OD2-NH2 3.6Å; D621-R911 PolarHBondContact OD2-NH2 3.13Å; D621-R911 VanDerWaalsContact OD2-NH2 3.1Å; I907-R911 WeakPolarHBondContact O-CD 3.45Å; I907-R911 VanDerWaalsContact O-CG 3.3Å; I907-R911 WeakPolarHBondContact O-CG 3.42Å; L908-R911 PolarHBondContact O-N 2.86Å; L909-R911 PolarHBondContact O-N 2.85Å |
| 912 | S | 72.3 | Confident | 87.7 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | trans | -95.4 | 113.6 | -168.8 | -65.2 | 0 | 0 | 0 | 0 | 112 | Y874 L908 L909 L915 | Y874-S912 WeakPolarHBondContact CE2-OG 3.34Å; L908-S912 WeakPolarHBondContact O-CB 3.26Å; L908-S912 PolarHBondContact O-N 3.22Å; L908-S912 PolarHBondContact O-OG 2.77Å; L909-S912 PolarHBondContact O-N 3.24Å; S912-L915 VanDerWaalsContact CB-CD2 3.45Å | ||
| 913 | A | 66.7 | Low | 87.9 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -91.2 | 145 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 914 | N | 75.1 | Confident | 88.1 | Confident | 158 Ų | 158 | 59.4 Ų | 59.4 | 85% | 0.845 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 53.4 | 77.7 | 176.1 | -59.7 | -24.1 | 0 | 0 | 0 | 114 | ||
| 915 | L | 87.2 | Confident | 88 | Confident | 59 Ų | 59 | 62 Ų | 62 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 136.9 | 177.8 | -64.5 | 177.2 | 0 | 0 | 0 | 111.4 | V849 A872 R873 L909 S912 | V849-L915 HydrophobicContact CG1-CB 4.02Å; V849-L915 HydrophobicContact CG1-CD1 3.98Å; V849-L915 HydrophobicContact CG2-CB 4.25Å; A872-L915 HydrophobicContact CB-CB 3.95Å; A872-L915 HydrophobicContact CB-CD1 4.3Å; A872-L915 HydrophobicContact CB-CD2 4.11Å; A872-L915 HydrophobicContact CB-CG 4.35Å; R873-L915 HydrophobicContact CB-CD2 4.47Å; L909-L915 HydrophobicContact CD2-CD1 4.31Å; S912-L915 VanDerWaalsContact CB-CD2 3.45Å |
| 916 | P | 90.3 | Very high | 88 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 140.3 | 174.4 | -21.9 | 32.3 | 0 | 0 | 0 | 112.6 | T653 A872 R873 | T653-P916 HydrophobicContact CG2-CG 3.79Å; A872-P916 WeakPolarHBondContact O-CD 3.43Å; A872-P916 WeakPolarHBondContact O-CG 3.41Å; R873-P916 HydrophobicContact CB-CG 4.32Å |
| 917 | E | 91.3 | Very high | 88.1 | Confident | 114 Ų | 114 | 64 Ų | 64 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 156.1 | 171.1 | -61.7 | -171 | 161.2 | 0 | 0 | 111.5 | R848 | R848-E917 HydrophobicContact CB-CG 4.37Å; R848-E917 WeakPolarHBondContact CD-OE1 3.4Å; R848-E917 IonicContact NH1-OE1 2.64Å; R848-E917 CarbonylContact O-C 3.57Å; R848-E917 VanDerWaalsContact O-CA 3.28Å; R848-E917 WeakPolarHBondContact O-CA 3.33Å |
| 918 | D | 91.3 | Very high | 88.3 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.032 | 36% | 0.36 | C | S | . | . | trans | -130.4 | 67.1 | 179.9 | -167.9 | 24.6 | 0 | 0 | 0 | 112.5 | W828 R831 R832 R848 A850 | W828-D918 PolarHBondContact NE1-O 2Å; W828-D918 VanDerWaalsContact NE1-O 3.11Å; R831-D918 VanDerWaalsContact CD-OD2 3.31Å; R831-D918 WeakPolarHBondContact CD-OD2 3.39Å; R831-D918 IonicContact CZ-OD2 2.86Å; R831-D918 IonicContact NE-OD2 3.69Å; R831-D918 IonicContact NH1-OD1 3.85Å; R831-D918 IonicContact NH1-OD2 3.38Å; R831-D918 PolarHBondContact NH1-OD2 3.21Å; R832-D918 PolarHBondContact NH2-O 3.37Å; R848-D918 PolarHBondContact O-N 3.45Å; A850-D918 HydrophobicContact CB-CB 3.95Å | ||
| 919 | P | 91.5 | Very high | 88.4 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 56% | 0.558 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 149.1 | -176.4 | 29 | -35.8 | 0 | 0 | 0 | 111.9 | W828 P921 | W828-P919 PolarHBondContact NE1-O 3.14Å; P919-P921 WeakPolarHBondContact O-CD 3.37Å |
| 920 | R | 93.9 | Very high | 88.9 | Confident | 70 Ų | 70 | 62 Ų | 62 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 124.9 | 176.1 | -178.1 | 174.9 | 58.6 | 97.8 | 6.4 | 110.4 | W828 D843 V924 | W828-R920 HydrophobicContact CE3-CG 4.38Å; W828-R920 HydrophobicContact CH2-CB 3.97Å; W828-R920 HydrophobicContact CH2-CG 3.83Å; W828-R920 HydrophobicContact CZ2-CB 3.64Å; W828-R920 HydrophobicContact CZ2-CG 3.99Å; W828-R920 HydrophobicContact CZ3-CG 4.04Å; D843-R920 IonicContact OD1-CZ 3.46Å; D843-R920 IonicContact OD1-NE 3.77Å; D843-R920 PolarHBondContact OD1-NE 2.8Å; D843-R920 IonicContact OD1-NH2 2.71Å; D843-R920 PolarHBondContact OD1-NH2 2.76Å; D843-R920 IonicContact OD2-CZ 3.16Å; D843-R920 IonicContact OD2-NE 2.66Å; D843-R920 IonicContact OD2-NH2 3.07Å; D843-R920 PolarHBondContact OD2-NH2 2.86Å; R920-V924 HydrophobicContact CG-CB 3.93Å; R920-V924 HydrophobicContact CG-CG1 4.16Å; R920-V924 PolarHBondContact NH1-O 2.95Å |
| 921 | P | 95.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 148 | 174.7 | -22.5 | 34.1 | 0 | 0 | 0 | 112.3 | W828 P919 S923 V924 | W828-P921 HydrophobicContact CB-CG 3.89Å; W828-P921 VanDerWaalsContact CG-CD 3.42Å; W828-P921 HydrophobicContact CG-CG 4.1Å; P919-P921 WeakPolarHBondContact O-CD 3.37Å; P921-S923 PolarHBondContact O-N 2.68Å; P921-S923 VanDerWaalsContact O-N 3.12Å; P921-V924 HydrophobicContact CB-CG2 4.42Å; P921-V924 HydrophobicContact CG-CG2 4.47Å; P921-V924 PolarHBondContact O-N 2.99Å |
| 922 | N | 94.8 | Very high | 90.5 | Very high | 166 Ų | 166 | 52.9 Ų | 52.9 | 89% | 0.888 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.6 | 177.4 | -68.9 | -14.9 | 0 | 0 | 0 | 113.7 | V924 | N922-V924 PolarHBondContact O-N 3.1Š|
| 923 | S | 96.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -14.8 | 175.5 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | P921 L953 D954 | P921-S923 PolarHBondContact O-N 2.68Å; P921-S923 VanDerWaalsContact O-N 3.12Å; S923-L953 CarbonylContact O-C 3.56Å; S923-D954 WeakPolarHBondContact CB-OD1 3.18Å; S923-D954 PolarHBondContact O-N 2.85Å |
| 924 | V | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.2 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | G825 W828 I829 R920 P921 N922 W951 L952 L953 | G825-V924 VanDerWaalsContact CA-CG2 3.41Å; W828-V924 HydrophobicContact CE3-CG1 4.08Å; W828-V924 HydrophobicContact CE3-CG2 4.26Å; W828-V924 HydrophobicContact CZ3-CG1 3.91Å; I829-V924 HydrophobicContact CD1-CG1 4.01Å; I829-V924 HydrophobicContact CD1-CG2 4Å; I829-V924 HydrophobicContact CG1-CG1 3.94Å; I829-V924 HydrophobicContact CG1-CG2 4.01Å; R920-V924 HydrophobicContact CG-CB 3.93Å; R920-V924 HydrophobicContact CG-CG1 4.16Å; R920-V924 PolarHBondContact NH1-O 2.95Å; P921-V924 HydrophobicContact CB-CG2 4.42Å; P921-V924 HydrophobicContact CG-CG2 4.47Å; P921-V924 PolarHBondContact O-N 2.99Å; N922-V924 PolarHBondContact O-N 3.1Å; V924-W951 HydrophobicContact CG1-CB 4.03Å; V924-W951 HydrophobicContact CG1-CD2 4.13Å; V924-W951 HydrophobicContact CG1-CE3 3.69Å; V924-W951 HydrophobicContact CG1-CG 4.32Å; V924-W951 HydrophobicContact CG1-CZ3 4.45Å; V924-L952 CarbonylContact C-O 3.47Å; V924-L952 VanDerWaalsContact CA-O 3.32Å; V924-L952 WeakPolarHBondContact CA-O 3.46Å; V924-L953 HydrophobicContact CG2-CD1 4.46Å |
| 925 | T | 95.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 167.2 | 175.4 | 60.2 | 0 | 0 | 0 | 0 | 111 | W951 L952 | T925-W951 CarbonylContact O-C 3.59Å; T925-W951 WeakPolarHBondContact O-CA 3.5Å; T925-L952 PolarHBondContact N-O 3.04Å; T925-L952 PolarHBondContact O-N 2.99Å |
| 926 | R | 94.3 | Very high | 94 | Very high | 138 Ų | 138 | 45 Ų | 45 | 52% | 0.521 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.4 | 172.1 | -62.8 | -177 | -67.8 | 173.8 | 0.6 | 108.8 | P840 W951 | P840-R926 HydrophobicContact CB-CB 4.35Å; P840-R926 HydrophobicContact CB-CG 3.77Å; R926-W951 HydrophobicContact CG-CE3 3.69Å; R926-W951 HydrophobicContact CG-CH2 3.9Å; R926-W951 HydrophobicContact CG-CZ3 3.22Å |
| 927 | G | 92.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 171 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A949 T950 | G927-A949 WeakPolarHBondContact O-CA 3.47Å; G927-T950 PolarHBondContact N-O 3.3Å; G927-T950 PolarHBondContact O-N 2.92Å |
| 928 | V | 94.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.7 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | S936 R947 L948 | V928-S936 WeakPolarHBondContact O-CA 3.28Å; V928-S936 VanDerWaalsContact O-CB 3.24Å; V928-S936 WeakPolarHBondContact O-CB 3.46Å; V928-R947 HydrophobicContact CG1-CG 3.21Å; V928-L948 WeakPolarHBondContact CA-O 3.32Å |
| 929 | I | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 159.7 | -179.1 | 63.7 | 99 | 0 | 0 | 0 | 110.7 | A705 R947 L948 T950 L952 Q957 | A705-I929 HydrophobicContact CB-CD1 3.85Å; A705-I929 HydrophobicContact CB-CG1 3.8Å; A705-I929 WeakPolarHBondContact O-CD1 3.41Å; I929-R947 WeakPolarHBondContact O-CA 3.16Å; I929-L948 HydrophobicContact CD1-CB 4.06Å; I929-L948 HydrophobicContact CD1-CD1 4.15Å; I929-L948 HydrophobicContact CG1-CB 4.16Å; I929-L948 PolarHBondContact N-O 3.28Å; I929-L948 PolarHBondContact O-N 2.94Å; I929-T950 HydrophobicContact CG1-CG2 4.27Å; I929-T950 HydrophobicContact CG2-CG2 4.05Å; I929-L952 HydrophobicContact CG2-CD2 4.46Å; I929-Q957 HydrophobicContact CG2-CG 4.45Å |
| 930 | C | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.4 | -178.2 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | G933 G934 Q935 L937 C944 R946 | C930-G933 PolarHBondContact O-N 3.38Å; C930-G934 PolarHBondContact O-N 3.08Å; C930-Q935 WeakPolarHBondContact CB-O 3.4Å; C930-Q935 PolarHBondContact N-O 2.87Å; C930-L937 HydrophobicContact CB-CB 4.34Å; C930-L937 HydrophobicContact CB-CD1 3.94Å; C930-L937 HydrophobicContact CB-CG 4.15Å; C930-C944 HydrophobicContact CB-CB 3.6Å; C930-C944 WeakPolarHBondContact CB-SG 3.34Å; C930-C944 WeakPolarHBondContact SG-CB 3.39Å; C930-C944 CovalentContact SG-SG 2.03Å; C930-C944 PolarHBondContact SG-SG 3.19Å; C930-R946 WeakPolarHBondContact CA-O 3.25Å |
| 931 | W | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 149.5 | 164.7 | -70 | -3.3 | 0 | 0 | 0 | 111.1 | A705 L707 P730 R945 R946 L948 W1000 | A705-W931 PolarHBondContact O-NE1 3.36Å; L707-W931 HydrophobicContact CB-CD2 4.17Å; L707-W931 HydrophobicContact CB-CG 4.26Å; L707-W931 HydrophobicContact CB-CZ2 4.28Å; L707-W931 HydrophobicContact CD1-CD2 3.43Å; L707-W931 VanDerWaalsContact CD1-CD2 3.43Å; L707-W931 HydrophobicContact CD1-CE3 3.43Å; L707-W931 VanDerWaalsContact CD1-CE3 3.43Å; L707-W931 HydrophobicContact CD1-CG 4.02Å; L707-W931 HydrophobicContact CD1-CH2 3.95Å; L707-W931 HydrophobicContact CD1-CZ2 3.94Å; L707-W931 HydrophobicContact CD1-CZ3 3.69Å; L707-W931 HydrophobicContact CG-CD2 4.42Å; P730-W931 HydrophobicContact CB-CZ3 4.29Å; W931-R945 PolarHBondContact O-N 3.46Å; W931-R946 HydrophobicContact CB-CB 4.19Å; W931-R946 HydrophobicContact CE3-CB 4.41Å; W931-R946 PolarHBondContact N-O 2.98Å; W931-R946 PolarHBondContact O-N 2.86Å; W931-L948 HydrophobicContact CD2-CD1 3.68Å; W931-L948 HydrophobicContact CE3-CD1 4.15Å; W931-L948 HydrophobicContact CG-CD1 4.21Å; W931-L948 HydrophobicContact CH2-CD1 4Å; W931-L948 HydrophobicContact CZ2-CD1 3.51Å; W931-L948 HydrophobicContact CZ3-CD1 4.31Å; W931-W1000 HydrophobicContact CB-CH2 4.02Å; W931-W1000 HydrophobicContact CB-CZ3 4.24Å; W931-W1000 AromaticContact CE3-CH2 3.9Å; W931-W1000 HydrophobicContact CE3-CH2 3.9Å; W931-W1000 AromaticContact CE3-CZ3 3.9Å; W931-W1000 HydrophobicContact CE3-CZ3 3.9Å |
| 932 | P | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -86.5 | 0.4 | 4.5 | 33.1 | -34.6 | 0 | 0 | 0 | 114.8 | T960 I972 N998 V999 W1000 | P932-T960 WeakPolarHBondContact O-CB 3.34Å; P932-T960 PolarHBondContact O-OG1 2.84Å; P932-I972 VanDerWaalsContact O-CD1 3.25Å; P932-I972 WeakPolarHBondContact O-CD1 3.32Å; P932-N998 HydrophobicContact CG-CB 4.08Å; P932-V999 WeakPolarHBondContact CB-O 3.5Å; P932-V999 VanDerWaalsContact CG-C 3.45Å; P932-V999 WeakPolarHBondContact CG-O 3.14Å; P932-W1000 HydrophobicContact CB-CB 4.48Å; P932-W1000 HydrophobicContact CB-CD2 3.9Å; P932-W1000 HydrophobicContact CB-CE3 4.01Å; P932-W1000 HydrophobicContact CB-CG 4.11Å; P932-W1000 HydrophobicContact CG-CD2 4.39Å; P932-W1000 HydrophobicContact CG-CG 4.32Å |
| 933 | G | 92.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -29.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C930 Q935 P959 T960 | C930-G933 PolarHBondContact O-N 3.38Å; G933-Q935 VanDerWaalsContact C-N 3.33Å; G933-P959 CarbonylContact O-C 3.59Å; G933-P959 WeakPolarHBondContact O-CA 3.13Å; G933-T960 PolarHBondContact O-N 2.87Å |
| 934 | G | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H703 C930 | H703-G934 PolarHBondContact NE2-O 2.76Å; C930-G934 PolarHBondContact O-N 3.08Å |
| 935 | Q | 94.8 | Very high | 93.3 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 160.9 | -173.6 | -53.4 | -173.2 | -65 | 0 | 0 | 111.2 | C930 G933 Q957 | C930-Q935 WeakPolarHBondContact CB-O 3.4Å; C930-Q935 PolarHBondContact N-O 2.87Å; G933-Q935 VanDerWaalsContact C-N 3.33Å; Q935-Q957 PolarHBondContact NE2-O 2.94Å |
| 936 | S | 94.9 | Very high | 93.2 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | trans | -64 | 135.3 | 172.6 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | V928 Q957 | V928-S936 WeakPolarHBondContact O-CA 3.28Å; V928-S936 VanDerWaalsContact O-CB 3.24Å; V928-S936 WeakPolarHBondContact O-CB 3.46Å; S936-Q957 VanDerWaalsContact CB-OE1 3.25Å; S936-Q957 PolarHBondContact OG-OE1 2.87Å; S936-Q957 VanDerWaalsContact OG-OE1 3.13Å | ||
| 937 | L | 93.9 | Very high | 93.2 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | trans | -124.8 | 153.8 | 171.2 | -66.6 | 172.5 | 0 | 0 | 0 | 110.2 | C930 D941 N943 C944 R947 | C930-L937 HydrophobicContact CB-CB 4.34Å; C930-L937 HydrophobicContact CB-CD1 3.94Å; C930-L937 HydrophobicContact CB-CG 4.15Å; L937-D941 HydrophobicContact CB-CB 3.99Å; L937-N943 HydrophobicContact CD1-CB 3.77Å; L937-C944 HydrophobicContact CB-CB 4.4Å; L937-C944 HydrophobicContact CD1-CB 4.1Å; L937-R947 PolarHBondContact O-NH1 3.35Å; L937-R947 PolarHBondContact O-NH2 3.31Å | ||
| 938 | P | 93 | Very high | 93.3 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 60% | 0.597 | 29% | 0.292 | S | S | * | . | trans | -52.6 | 153 | 173.3 | -25.1 | 34.9 | 0 | 0 | 0 | 112.5 | G940 D941 R947 | P938-G940 PolarHBondContact O-N 3.05Å; P938-D941 WeakPolarHBondContact O-CB 3.36Å; P938-D941 PolarHBondContact O-N 3.19Å; P938-R947 PolarHBondContact O-NH2 3Å | ||
| 939 | E | 88 | Confident | 93.3 | Very high | 187 Ų | 187 | 51.6 Ų | 51.6 | 87% | 0.874 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 136.1 | 172.9 | -166.9 | 171.2 | -176.1 | 0 | 0 | 110.1 | D941 | E939-D941 VanDerWaalsContact C-N 3.34Å; E939-D941 PolarHBondContact O-N 2.48Å |
| 940 | G | 88.9 | Confident | 93.3 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 81% | 0.814 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -5.9 | -175 | 0 | 0 | 0 | 0 | 0 | 116.2 | P938 G942 | P938-G940 PolarHBondContact O-N 3.05Å; G940-G942 PolarHBondContact O-N 2.97Å |
| 941 | D | 91.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -64 | 120 | 176.7 | -169.6 | -47.8 | 0 | 0 | 0 | 111.3 | L937 P938 E939 N943 C944 | L937-D941 HydrophobicContact CB-CB 3.99Å; P938-D941 WeakPolarHBondContact O-CB 3.36Å; P938-D941 PolarHBondContact O-N 3.19Å; E939-D941 VanDerWaalsContact C-N 3.34Å; E939-D941 PolarHBondContact O-N 2.48Å; D941-N943 PolarHBondContact O-N 3.45Å; D941-N943 VanDerWaalsContact O-N 3.08Å; D941-N943 VanDerWaalsContact OD1-CB 3.26Å; D941-N943 WeakPolarHBondContact OD1-CB 3.38Å; D941-N943 PolarHBondContact OD1-N 2.98Å; D941-C944 WeakPolarHBondContact O-CB 3.47Å; D941-C944 PolarHBondContact O-N 2.94Å | ||
| 942 | G | 89.6 | Confident | 93.3 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | G940 C944 R945 | G940-G942 PolarHBondContact O-N 2.97Å; G942-C944 VanDerWaalsContact C-N 3.33Å; G942-R945 WeakPolarHBondContact O-CD 3.13Å; G942-R945 PolarHBondContact O-NH1 3.49Å |
| 943 | N | 93.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.6 | 173.9 | -69.5 | -48.3 | 0 | 0 | 0 | 113.8 | L937 D941 R945 M996 I997 N998 R1017 | L937-N943 HydrophobicContact CD1-CB 3.77Å; D941-N943 PolarHBondContact O-N 3.45Å; D941-N943 VanDerWaalsContact O-N 3.08Å; D941-N943 VanDerWaalsContact OD1-CB 3.26Å; D941-N943 WeakPolarHBondContact OD1-CB 3.38Å; D941-N943 PolarHBondContact OD1-N 2.98Å; N943-R945 PolarHBondContact O-N 3.24Å; N943-M996 PolarHBondContact ND2-O 3.31Å; N943-I997 WeakPolarHBondContact OD1-CA 3.13Å; N943-N998 HydrophobicContact CB-CB 3.95Å; N943-N998 PolarHBondContact OD1-N 3.37Å; N943-R1017 PolarHBondContact OD1-NH2 3.37Å |
| 944 | C | 94.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | trans | -87.8 | 90.4 | 172.2 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | C930 L937 D941 G942 | C930-C944 HydrophobicContact CB-CB 3.6Å; C930-C944 WeakPolarHBondContact CB-SG 3.34Å; C930-C944 WeakPolarHBondContact SG-CB 3.39Å; C930-C944 CovalentContact SG-SG 2.03Å; C930-C944 PolarHBondContact SG-SG 3.19Å; L937-C944 HydrophobicContact CB-CB 4.4Å; L937-C944 HydrophobicContact CD1-CB 4.1Å; D941-C944 WeakPolarHBondContact O-CB 3.47Å; D941-C944 PolarHBondContact O-N 2.94Å; G942-C944 VanDerWaalsContact C-N 3.33Å | ||
| 945 | R | 93.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 36% | 0.362 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -82.2 | -34.5 | -178.3 | -52.6 | -49.9 | -59.2 | 167.1 | 3.9 | 112.6 | W931 G942 N943 W1000 E1012 | W931-R945 PolarHBondContact O-N 3.46Å; G942-R945 WeakPolarHBondContact O-CD 3.13Å; G942-R945 PolarHBondContact O-NH1 3.49Å; N943-R945 PolarHBondContact O-N 3.24Å; R945-W1000 HydrophobicContact CB-CZ2 3.85Å; R945-E1012 WeakPolarHBondContact CG-OE2 3.2Å; R945-E1012 IonicContact CZ-OE1 2.73Å; R945-E1012 VanDerWaalsContact CZ-OE1 3.29Å; R945-E1012 IonicContact CZ-OE2 3.44Å; R945-E1012 IonicContact NE-OE1 3.18Å; R945-E1012 PolarHBondContact NE-OE1 3.49Å; R945-E1012 IonicContact NE-OE2 3.34Å; R945-E1012 PolarHBondContact NE-OE2 3.45Å; R945-E1012 IonicContact NH2-OE1 3Å; R945-E1012 PolarHBondContact NH2-OE1 3.04Å; R945-E1012 IonicContact NH2-OE2 3.55Å |
| 946 | R | 93.4 | Very high | 93.7 | Very high | 125 Ų | 125 | 57.9 Ų | 57.9 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 120.4 | 171.9 | -166.5 | 176.7 | -179.7 | -179.3 | -3.8 | 109.5 | C930 W931 L948 | C930-R946 WeakPolarHBondContact CA-O 3.25Å; W931-R946 HydrophobicContact CB-CB 4.19Å; W931-R946 HydrophobicContact CE3-CB 4.41Å; W931-R946 PolarHBondContact N-O 2.98Å; W931-R946 PolarHBondContact O-N 2.86Å; R946-L948 HydrophobicContact CG-CD2 4.07Å; R946-L948 HydrophobicContact CG-CG 4.2Å |
| 947 | R | 93.9 | Very high | 93.7 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 42% | 0.415 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.4 | 178 | -168.8 | 169 | -79 | -101.2 | -2.3 | 108.8 | V928 I929 L937 P938 | V928-R947 HydrophobicContact CG1-CG 3.21Å; I929-R947 WeakPolarHBondContact O-CA 3.16Å; L937-R947 PolarHBondContact O-NH1 3.35Å; L937-R947 PolarHBondContact O-NH2 3.31Å; P938-R947 PolarHBondContact O-NH2 3Å |
| 948 | L | 94.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.1 | -173.5 | -64.7 | 172 | 0 | 0 | 0 | 110.2 | A705 V928 I929 W931 R946 | A705-L948 HydrophobicContact CB-CB 4.1Å; A705-L948 HydrophobicContact CB-CD1 4.25Å; V928-L948 WeakPolarHBondContact CA-O 3.32Å; I929-L948 HydrophobicContact CD1-CB 4.06Å; I929-L948 HydrophobicContact CD1-CD1 4.15Å; I929-L948 HydrophobicContact CG1-CB 4.16Å; I929-L948 PolarHBondContact N-O 3.28Å; I929-L948 PolarHBondContact O-N 2.94Å; W931-L948 HydrophobicContact CD2-CD1 3.68Å; W931-L948 HydrophobicContact CE3-CD1 4.15Å; W931-L948 HydrophobicContact CG-CD1 4.21Å; W931-L948 HydrophobicContact CH2-CD1 4Å; W931-L948 HydrophobicContact CZ2-CD1 3.51Å; W931-L948 HydrophobicContact CZ3-CD1 4.31Å; R946-L948 HydrophobicContact CG-CD2 4.07Å; R946-L948 HydrophobicContact CG-CG 4.2Å |
| 949 | A | 94.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P840 G927 | P840-A949 HydrophobicContact CG-CB 3.64Å; G927-A949 WeakPolarHBondContact O-CA 3.47Å |
| 950 | T | 95.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.3 | -177.8 | -159.4 | 0 | 0 | 0 | 0 | 112.5 | P704 A705 G927 I929 L952 | P704-T950 WeakPolarHBondContact CB-OG1 3.32Å; A705-T950 VanDerWaalsContact CB-CB 3.5Å; A705-T950 HydrophobicContact CB-CG2 4.14Å; A705-T950 VanDerWaalsContact CB-OG1 3.32Å; A705-T950 WeakPolarHBondContact CB-OG1 3.49Å; A705-T950 PolarHBondContact N-OG1 3.2Å; A705-T950 VanDerWaalsContact N-OG1 3.08Å; G927-T950 PolarHBondContact N-O 3.3Å; G927-T950 PolarHBondContact O-N 2.92Å; I929-T950 HydrophobicContact CG1-CG2 4.27Å; I929-T950 HydrophobicContact CG2-CG2 4.05Å; T950-L952 HydrophobicContact CG2-CD2 3.58Å; T950-L952 HydrophobicContact CG2-CG 4.21Å |
| 951 | W | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.5 | 164.9 | -63.7 | 113.8 | 0 | 0 | 0 | 109.8 | P704 W828 I829 P840 L841 L846 V924 T925 R926 | P704-W951 WeakPolarHBondContact CD-O 3.33Å; P704-W951 HydrophobicContact CG-CB 4.38Å; W828-W951 HydrophobicContact CH2-CD2 4.45Å; W828-W951 AromaticContact CH2-CE2 3.96Å; W828-W951 HydrophobicContact CH2-CH2 4.13Å; W828-W951 AromaticContact CH2-CZ2 3.8Å; W828-W951 HydrophobicContact CH2-CZ2 3.8Å; W828-W951 HydrophobicContact CZ3-CD2 4.01Å; W828-W951 AromaticContact CZ3-CE2 3.89Å; W828-W951 HydrophobicContact CZ3-CE3 4.39Å; W828-W951 HydrophobicContact CZ3-CG 4.37Å; W828-W951 HydrophobicContact CZ3-CZ2 4.19Å; I829-W951 HydrophobicContact CD1-CB 4.1Å; I829-W951 HydrophobicContact CG1-CB 4.05Å; P840-W951 VanDerWaalsContact CA-CE2 3.44Å; P840-W951 VanDerWaalsContact CA-CZ2 3.46Å; P840-W951 HydrophobicContact CB-CD2 3.85Å; P840-W951 HydrophobicContact CB-CE3 4.11Å; P840-W951 HydrophobicContact CB-CG 4.4Å; P840-W951 HydrophobicContact CB-CH2 4.2Å; P840-W951 HydrophobicContact CB-CZ2 3.95Å; P840-W951 HydrophobicContact CB-CZ3 4.28Å; L841-W951 VanDerWaalsContact O-CH2 3.28Å; L841-W951 WeakPolarHBondContact O-CH2 3.49Å; L846-W951 HydrophobicContact CD1-CH2 4.01Å; L846-W951 HydrophobicContact CD1-CZ2 4.07Å; L846-W951 HydrophobicContact CD2-CZ2 4.48Å; V924-W951 HydrophobicContact CG1-CB 4.03Å; V924-W951 HydrophobicContact CG1-CD2 4.13Å; V924-W951 HydrophobicContact CG1-CE3 3.69Å; V924-W951 HydrophobicContact CG1-CG 4.32Å; V924-W951 HydrophobicContact CG1-CZ3 4.45Å; T925-W951 CarbonylContact O-C 3.59Å; T925-W951 WeakPolarHBondContact O-CA 3.5Å; R926-W951 HydrophobicContact CG-CE3 3.69Å; R926-W951 HydrophobicContact CG-CH2 3.9Å; R926-W951 HydrophobicContact CG-CZ3 3.22Å |
| 952 | L | 96.6 | Very high | 94 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.3 | 176.2 | -59.7 | 179.1 | 0 | 0 | 0 | 109.4 | H703 V924 T925 I929 T950 S956 Q957 | H703-L952 HydrophobicContact CB-CD2 4.3Å; V924-L952 CarbonylContact C-O 3.47Å; V924-L952 VanDerWaalsContact CA-O 3.32Å; V924-L952 WeakPolarHBondContact CA-O 3.46Å; T925-L952 PolarHBondContact N-O 3.04Å; T925-L952 PolarHBondContact O-N 2.99Å; I929-L952 HydrophobicContact CG2-CD2 4.46Å; T950-L952 HydrophobicContact CG2-CD2 3.58Å; T950-L952 HydrophobicContact CG2-CG 4.21Å; L952-S956 WeakPolarHBondContact CD2-O 3.4Å; L952-Q957 HydrophobicContact CD1-CG 3.75Å; L952-Q957 HydrophobicContact CD2-CG 3.89Å; L952-Q957 HydrophobicContact CG-CG 4.48Å |
| 953 | L | 97 | Very high | 93.3 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.5 | 172.1 | -178.8 | 64.1 | 0 | 0 | 0 | 108.8 | L697 A826 I829 S923 V924 G955 S956 | L697-L953 HydrophobicContact CB-CD2 4.35Å; A826-L953 HydrophobicContact CB-CD2 3.97Å; I829-L953 HydrophobicContact CD1-CB 4.18Å; S923-L953 CarbonylContact O-C 3.56Å; V924-L953 HydrophobicContact CG2-CD1 4.46Å; L953-G955 PolarHBondContact O-N 3.18Å; L953-G955 VanDerWaalsContact O-N 3.08Å; L953-S956 WeakPolarHBondContact O-CB 3.48Å; L953-S956 PolarHBondContact O-N 2.92Å |
| 954 | D | 96.5 | Very high | 91.9 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 65% | 0.647 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 32.5 | -176.3 | -60.4 | -50.3 | 0 | 0 | 0 | 113 | S923 S956 | S923-D954 WeakPolarHBondContact CB-OD1 3.18Å; S923-D954 PolarHBondContact O-N 2.85Å; D954-S956 PolarHBondContact O-N 3.32Å |
| 955 | G | 94.4 | Very high | 90.5 | Very high | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 8.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | L953 Q957 | L953-G955 PolarHBondContact O-N 3.18Å; L953-G955 VanDerWaalsContact O-N 3.08Å; G955-Q957 PolarHBondContact O-N 2.96Å |
| 956 | S | 95.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | trans | -64.6 | 126.6 | -176.2 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | L952 L953 D954 | L952-S956 WeakPolarHBondContact CD2-O 3.4Å; L953-S956 WeakPolarHBondContact O-CB 3.48Å; L953-S956 PolarHBondContact O-N 2.92Å; D954-S956 PolarHBondContact O-N 3.32Å | ||
| 957 | Q | 95.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | trans | -130.6 | 72.9 | 178.7 | -65 | 179.4 | 45.9 | 0 | 0 | 109.6 | I929 Q935 S936 L952 G955 | I929-Q957 HydrophobicContact CG2-CG 4.45Å; Q935-Q957 PolarHBondContact NE2-O 2.94Å; S936-Q957 VanDerWaalsContact CB-OE1 3.25Å; S936-Q957 PolarHBondContact OG-OE1 2.87Å; S936-Q957 VanDerWaalsContact OG-OE1 3.13Å; L952-Q957 HydrophobicContact CD1-CG 3.75Å; L952-Q957 HydrophobicContact CD2-CG 3.89Å; L952-Q957 HydrophobicContact CG-CG 4.48Å; G955-Q957 PolarHBondContact O-N 2.96Å | ||
| 958 | P | 95 | Very high | 86.6 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.4 | 176 | 23.6 | -32.1 | 0 | 0 | 0 | 110.8 | G700 | G700-P958 VanDerWaalsContact O-CB 3.24Å; G700-P958 WeakPolarHBondContact O-CB 3.29Å; G700-P958 WeakPolarHBondContact O-CG 3.46Å |
| 959 | P | 93.9 | Very high | 85 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 163.4 | 169.3 | 30.5 | -35.5 | 0 | 0 | 0 | 110.3 | G933 L961 | G933-P959 CarbonylContact O-C 3.59Å; G933-P959 WeakPolarHBondContact O-CA 3.13Å; P959-L961 PolarHBondContact O-N 2.82Å |
| 960 | T | 94.2 | Very high | 83.7 | Confident | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -47.8 | 128 | 174 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | L707 P932 G933 L962 I972 P1001 | L707-T960 HydrophobicContact CB-CG2 4.01Å; L707-T960 HydrophobicContact CD2-CG2 3.72Å; L707-T960 HydrophobicContact CG-CG2 4.35Å; P932-T960 WeakPolarHBondContact O-CB 3.34Å; P932-T960 PolarHBondContact O-OG1 2.84Å; G933-T960 PolarHBondContact O-N 2.87Å; T960-L962 HydrophobicContact CG2-CD2 4.12Å; T960-L962 PolarHBondContact O-N 3.46Å; T960-I972 HydrophobicContact CG2-CD1 4.12Å; T960-P1001 HydrophobicContact CG2-CG 4.26Å |
| 961 | L | 91.5 | Very high | 82.9 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | trans | -71 | 98.7 | -179.9 | -177.7 | 64.8 | 0 | 0 | 0 | 110.2 | I702 L708 Q747 V748 A751 P959 | I702-L961 HydrophobicContact CG2-CB 4.37Å; I702-L961 HydrophobicContact CG2-CD2 3.96Å; L708-L961 HydrophobicContact CD2-CD2 4.39Å; Q747-L961 HydrophobicContact CG-CD2 4.13Å; Q747-L961 PolarHBondContact NE2-O 3.07Å; V748-L961 HydrophobicContact CG2-CD2 4.22Å; A751-L961 HydrophobicContact CB-CD1 3.75Å; A751-L961 HydrophobicContact CB-CD2 3.86Å; A751-L961 HydrophobicContact CB-CG 4.33Å; P959-L961 PolarHBondContact O-N 2.82Å | ||
| 962 | L | 85.6 | Confident | 82.6 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 148.4 | 172.9 | -59.4 | 176.7 | 0 | 0 | 0 | 110.5 | T960 E967 I972 P1001 | T960-L962 HydrophobicContact CG2-CD2 4.12Å; T960-L962 PolarHBondContact O-N 3.46Å; L962-E967 HydrophobicContact CD1-CG 4.11Å; L962-E967 HydrophobicContact CD2-CG 4.35Å; L962-I972 HydrophobicContact CD1-CG1 4.23Å; L962-I972 HydrophobicContact CD1-CG2 4.06Å; L962-I972 HydrophobicContact CD2-CD1 4.35Å; L962-I972 HydrophobicContact CD2-CG2 3.69Å; L962-P1001 HydrophobicContact CD2-CB 4.24Å; L962-P1001 HydrophobicContact CD2-CG 3.88Å |
| 963 | L | 74.3 | Confident | 82.2 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -93 | 152.7 | 170.9 | -65 | 148.7 | 0 | 0 | 0 | 110.2 | R713 Q747 E750 Q966 | R713-L963 VanDerWaalsContact NE-CD1 3.28Å; R713-L963 VanDerWaalsContact NH2-CD2 3.31Å; Q747-L963 HydrophobicContact CB-CD1 4.31Å; Q747-L963 HydrophobicContact CB-CD2 4.36Å; Q747-L963 HydrophobicContact CG-CD1 3.89Å; Q747-L963 HydrophobicContact CG-CD2 3.89Å; Q747-L963 HydrophobicContact CG-CG 3.93Å; E750-L963 HydrophobicContact CG-CD2 4.44Å; E750-L963 VanDerWaalsContact OE2-CD2 3.27Å; E750-L963 WeakPolarHBondContact OE2-CD2 3.24Å; L963-Q966 HydrophobicContact CB-CG 3.87Å; L963-Q966 VanDerWaalsContact CD1-NE2 3.31Å; L963-Q966 PolarHBondContact O-N 3.34Å |
| 964 | P | 65.3 | Low | 81.7 | Confident | 101 Ų | 101 | 63.1 Ų | 63.1 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 144.7 | 170.1 | -23.6 | 33.8 | 0 | 0 | 0 | 111 | Q966 | P964-Q966 PolarHBondContact O-N 2.93Å; P964-Q966 VanDerWaalsContact O-N 3.1Å |
| 965 | E | 65.5 | Low | 81.3 | Confident | 189 Ų | 189 | 60 Ų | 60 | 88% | 0.883 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -2.8 | 175.7 | -50.9 | 172.7 | -177.2 | 0 | 0 | 116.5 | ||
| 966 | Q | 68.2 | Low | 81 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -79 | -29.2 | 177.8 | -72 | -170.3 | -37.6 | 0 | 0 | 114 | Q709 L963 P964 P1003 | Q709-Q966 VanDerWaalsContact OE1-CD 3.3Å; Q709-Q966 VanDerWaalsContact OE1-OE1 3.14Å; L963-Q966 HydrophobicContact CB-CG 3.87Å; L963-Q966 VanDerWaalsContact CD1-NE2 3.31Å; L963-Q966 PolarHBondContact O-N 3.34Å; P964-Q966 PolarHBondContact O-N 2.93Å; P964-Q966 VanDerWaalsContact O-N 3.1Å; Q966-P1003 HydrophobicContact CB-CG 4.14Å; Q966-P1003 HydrophobicContact CG-CG 3.98Å |
| 967 | E | 68.8 | Low | 80.8 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -121.7 | 155.9 | 178.9 | -67.2 | -63.8 | 145.9 | 0 | 0 | 109.7 | L962 I972 P1001 L1002 R1014 | L962-E967 HydrophobicContact CD1-CG 4.11Å; L962-E967 HydrophobicContact CD2-CG 4.35Å; E967-I972 HydrophobicContact CG-CG2 3.9Å; E967-P1001 WeakPolarHBondContact OE1-CA 3.37Å; E967-L1002 WeakPolarHBondContact OE1-CG 3.44Å; E967-L1002 PolarHBondContact OE1-N 3.46Å; E967-R1014 IonicContact OE1-NH2 3.82Å; E967-R1014 IonicContact OE2-CZ 2.7Å; E967-R1014 IonicContact OE2-NH1 2.78Å; E967-R1014 IonicContact OE2-NH2 2.95Å; E967-R1014 PolarHBondContact OE2-NH2 2.95Å |
| 968 | G | 61.6 | Low | 80.6 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | trans | -64.1 | 177.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N970 G971 | G968-N970 PolarHBondContact O-N 3.25Å; G968-G971 PolarHBondContact O-N 3.46Å | ||
| 969 | I | 60.7 | Low | 80.4 | Confident | 182 Ų | 182 | 59.3 Ų | 59.3 | 93% | 0.933 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -29.9 | -179.8 | -68.1 | 166.5 | 0 | 0 | 0 | 112.8 | G971 | I969-G971 VanDerWaalsContact C-N 3.32Å; I969-G971 PolarHBondContact O-N 3.1Å |
| 970 | N | 66.6 | Low | 80.2 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.9 | -177.5 | -68.9 | -7.3 | 0 | 0 | 0 | 114.5 | G968 F974 | G968-N970 PolarHBondContact O-N 3.25Å; N970-F974 HydrophobicContact CB-CB 3.86Å; N970-F974 HydrophobicContact CB-CD1 4.25Å; N970-F974 HydrophobicContact CB-CG 4.23Å |
| 971 | G | 78.8 | Confident | 79.9 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -152.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | G968 I969 | G968-G971 PolarHBondContact O-N 3.46Å; I969-G971 VanDerWaalsContact C-N 3.32Å; I969-G971 PolarHBondContact O-N 3.1Å |
| 972 | I | 89 | Confident | 79.7 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -7.3 | 178.2 | 66.6 | 169.6 | 0 | 0 | 0 | 114.3 | P932 T960 L962 E967 N998 V999 P1001 | P932-I972 VanDerWaalsContact O-CD1 3.25Å; P932-I972 WeakPolarHBondContact O-CD1 3.32Å; T960-I972 HydrophobicContact CG2-CD1 4.12Å; L962-I972 HydrophobicContact CD1-CG1 4.23Å; L962-I972 HydrophobicContact CD1-CG2 4.06Å; L962-I972 HydrophobicContact CD2-CD1 4.35Å; L962-I972 HydrophobicContact CD2-CG2 3.69Å; E967-I972 HydrophobicContact CG-CG2 3.9Å; I972-N998 CarbonylContact O-C 3.59Å; I972-N998 WeakPolarHBondContact O-CA 3.38Å; I972-V999 HydrophobicContact CB-CG2 4.38Å; I972-V999 WeakPolarHBondContact CB-O 3.24Å; I972-V999 WeakPolarHBondContact O-CG2 3.23Å; I972-V999 PolarHBondContact O-N 2.99Å; I972-P1001 HydrophobicContact CG2-CB 4.46Å; I972-P1001 HydrophobicContact CG2-CG 4.16Å |
| 973 | R | 89 | Confident | 79.9 | Confident | 140 Ų | 140 | 69.2 Ų | 69.2 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 108.2 | -178.7 | 177 | 172.8 | -175.8 | -164.7 | 1.1 | 109 | M996 I997 N998 | R973-M996 HydrophobicContact CG-CE 3.63Å; R973-I997 WeakPolarHBondContact CA-O 3.41Å; R973-N998 WeakPolarHBondContact CB-OD1 3.49Å; R973-N998 WeakPolarHBondContact CD-OD1 3.23Å; R973-N998 WeakPolarHBondContact CG-OD1 3.42Å |
| 974 | F | 86.2 | Confident | 80.7 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.5 | -176.3 | 54.3 | -94.4 | 0 | 0 | 0 | 111.8 | N970 I976 I997 V999 L1018 | N970-F974 HydrophobicContact CB-CB 3.86Å; N970-F974 HydrophobicContact CB-CD1 4.25Å; N970-F974 HydrophobicContact CB-CG 4.23Å; F974-I976 HydrophobicContact CD2-CG2 4.1Å; F974-I976 HydrophobicContact CE2-CG2 3.85Å; F974-I997 HydrophobicContact CD2-CG2 4.1Å; F974-I997 HydrophobicContact CE2-CG2 3.79Å; F974-I997 HydrophobicContact CZ-CG2 4.14Å; F974-I997 PolarHBondContact N-O 2.98Å; F974-I997 PolarHBondContact O-N 3.48Å; F974-I997 VanDerWaalsContact O-N 3.07Å; F974-V999 HydrophobicContact CD1-CG2 4.49Å; F974-V999 HydrophobicContact CE1-CG2 3.52Å; F974-V999 HydrophobicContact CZ-CG1 4.36Å; F974-V999 HydrophobicContact CZ-CG2 4.08Å; F974-L1018 HydrophobicContact CE2-CD2 4.03Å; F974-L1018 HydrophobicContact CZ-CD2 4.1Å |
| 975 | P | 88.2 | Confident | 81.8 | Confident | 55 Ų | 55 | 65 Ų | 65 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.6 | 174.2 | 30.2 | -33.8 | 0 | 0 | 0 | 111.1 | Q994 E995 M996 | P975-Q994 HydrophobicContact CB-CG 3.75Å; P975-E995 WeakPolarHBondContact CA-O 2.94Å; P975-M996 HydrophobicContact CB-SD 3.79Å; P975-M996 HydrophobicContact CG-SD 4.46Å |
| 976 | I | 88.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 154 | 159.9 | 59.9 | 175.1 | 0 | 0 | 0 | 108.3 | F974 L978 R984 Q994 E995 I997 L1018 P1019 | F974-I976 HydrophobicContact CD2-CG2 4.1Å; F974-I976 HydrophobicContact CE2-CG2 3.85Å; I976-L978 HydrophobicContact CD1-CD2 3.98Å; I976-L978 HydrophobicContact CD1-CG 4.41Å; I976-L978 HydrophobicContact CG1-CD2 4.39Å; I976-R984 HydrophobicContact CD1-CG 4.38Å; I976-Q994 CarbonylContact O-C 3.48Å; I976-Q994 WeakPolarHBondContact O-CA 3.34Å; I976-E995 HydrophobicContact CG1-CB 4.18Å; I976-E995 WeakPolarHBondContact CG1-O 3.44Å; I976-E995 PolarHBondContact N-O 3.32Å; I976-E995 PolarHBondContact O-N 3.27Å; I976-I997 HydrophobicContact CD1-CB 4.39Å; I976-I997 HydrophobicContact CD1-CD1 4.29Å; I976-I997 HydrophobicContact CD1-CG2 4.37Å; I976-I997 HydrophobicContact CG1-CG2 4.41Å; I976-I997 HydrophobicContact CG2-CG2 3.85Å; I976-L1018 HydrophobicContact CG2-CD2 4.07Å; I976-P1019 HydrophobicContact CD1-CG 4.27Å |
| 977 | W | 90.9 | Very high | 83.8 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.6 | 176.4 | -65.5 | 87 | 0 | 0 | 0 | 108.4 | R984 V985 A987 A992 R993 Q994 | W977-R984 CarbonylContact O-C 3.58Å; W977-R984 VanDerWaalsContact O-CA 3.23Å; W977-R984 WeakPolarHBondContact O-CA 3.32Å; W977-V985 HydrophobicContact CB-CG2 4.02Å; W977-V985 WeakPolarHBondContact CB-O 3.47Å; W977-V985 WeakPolarHBondContact O-CG2 3.47Å; W977-V985 PolarHBondContact O-N 3.5Å; W977-A987 HydrophobicContact CD2-CB 3.91Å; W977-A987 HydrophobicContact CG-CB 4.09Å; W977-A987 HydrophobicContact CZ2-CB 3.96Å; W977-A992 HydrophobicContact CB-CB 4.29Å; W977-A992 HydrophobicContact CE3-CB 3.79Å; W977-R993 CarbonylContact C-O 3.5Å; W977-R993 WeakPolarHBondContact CA-O 3.21Å; W977-Q994 HydrophobicContact CD2-CB 4.25Å; W977-Q994 HydrophobicContact CE3-CB 3.99Å; W977-Q994 HydrophobicContact CH2-CB 3.99Å; W977-Q994 HydrophobicContact CH2-CG 4.5Å; W977-Q994 HydrophobicContact CZ2-CB 4.22Å; W977-Q994 HydrophobicContact CZ2-CG 4.28Å; W977-Q994 HydrophobicContact CZ3-CB 3.87Å |
| 978 | L | 91.3 | Very high | 84.7 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.7 | -176.7 | -58.3 | -178.2 | 0 | 0 | 0 | 111.3 | I976 K983 R984 A992 R993 E995 P1019 | I976-L978 HydrophobicContact CD1-CD2 3.98Å; I976-L978 HydrophobicContact CD1-CG 4.41Å; I976-L978 HydrophobicContact CG1-CD2 4.39Å; L978-K983 CarbonylContact C-O 3.57Å; L978-K983 VanDerWaalsContact CA-O 3.29Å; L978-K983 WeakPolarHBondContact CA-O 3.34Å; L978-R984 HydrophobicContact CD2-CB 4.41Å; L978-R984 HydrophobicContact CD2-CG 3.59Å; L978-A992 CarbonylContact O-C 3.45Å; L978-A992 WeakPolarHBondContact O-CA 3.29Å; L978-R993 PolarHBondContact N-O 3.25Å; L978-R993 PolarHBondContact O-N 3.46Å; L978-E995 HydrophobicContact CD1-CB 4.29Å; L978-E995 WeakPolarHBondContact CD1-OE2 3.36Å; L978-P1019 HydrophobicContact CD2-CB 4.27Å; L978-P1019 HydrophobicContact CD2-CG 4.05Å |
| 979 | D | 90.9 | Very high | 86 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | trans | -79.2 | 178.1 | 165.5 | 67.2 | 16.2 | 0 | 0 | 0 | 111.8 | N981 G982 K983 V985 | D979-N981 PolarHBondContact O-N 2.71Å; D979-N981 VanDerWaalsContact O-N 3.11Å; D979-N981 VanDerWaalsContact OD1-C 3.32Å; D979-N981 VanDerWaalsContact OD1-CA 3.3Å; D979-N981 WeakPolarHBondContact OD1-CA 3.45Å; D979-N981 WeakPolarHBondContact OD1-CB 3.32Å; D979-N981 PolarHBondContact OD1-N 2.91Å; D979-G982 PolarHBondContact O-N 3.3Å; D979-G982 PolarHBondContact OD1-N 3.44Å; D979-K983 PolarHBondContact N-O 3.42Å; D979-K983 PolarHBondContact OD1-N 3.04Å; D979-V985 HydrophobicContact CB-CG1 3.85Å | ||
| 980 | E | 89.6 | Confident | 87 | Confident | 126 Ų | 126 | 55.2 Ų | 55.2 | 59% | 0.589 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.6 | 177.3 | -61 | -171.1 | 155.2 | 0 | 0 | 113.6 | Q991 | E980-Q991 VanDerWaalsContact CD-OE1 3.26Å; E980-Q991 HydrophobicContact CG-CB 4.39Å; E980-Q991 PolarHBondContact OE1-NE2 3.33Å; E980-Q991 PolarHBondContact OE1-OE1 3.48Å |
| 981 | N | 87.7 | Confident | 87.9 | Confident | 136 Ų | 136 | 55.9 Ų | 55.9 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 2.6 | 176.7 | -57.3 | -60.5 | 0 | 0 | 0 | 112.9 | D979 K983 | D979-N981 PolarHBondContact O-N 2.71Å; D979-N981 VanDerWaalsContact O-N 3.11Å; D979-N981 VanDerWaalsContact OD1-C 3.32Å; D979-N981 VanDerWaalsContact OD1-CA 3.3Å; D979-N981 WeakPolarHBondContact OD1-CA 3.45Å; D979-N981 WeakPolarHBondContact OD1-CB 3.32Å; D979-N981 PolarHBondContact OD1-N 2.91Å; N981-K983 VanDerWaalsContact C-N 3.31Å; N981-K983 PolarHBondContact O-N 2.86Å |
| 982 | G | 87.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 56 Ų | 56 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 74 | 16 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D979 P1019 | D979-G982 PolarHBondContact O-N 3.3Å; D979-G982 PolarHBondContact OD1-N 3.44Å; G982-P1019 WeakPolarHBondContact O-CB 3.32Å |
| 983 | K | 90 | Very high | 88.5 | Confident | 84 Ų | 84 | 64 Ų | 64 | 37% | 0.365 | 33% | 0.326 | S | S | . | . | trans | -86.8 | 145.7 | 173.3 | -60.8 | -173.3 | 180 | 178.6 | 0 | 110.3 | L978 D979 N981 P1020 | L978-K983 CarbonylContact C-O 3.57Å; L978-K983 VanDerWaalsContact CA-O 3.29Å; L978-K983 WeakPolarHBondContact CA-O 3.34Å; D979-K983 PolarHBondContact N-O 3.42Å; D979-K983 PolarHBondContact OD1-N 3.04Å; N981-K983 VanDerWaalsContact C-N 3.31Å; N981-K983 PolarHBondContact O-N 2.86Å; K983-P1020 CarbonylContact C-O 3.54Å; K983-P1020 VanDerWaalsContact CA-O 3.32Å; K983-P1020 WeakPolarHBondContact CA-O 3.47Å; K983-P1020 WeakPolarHBondContact CB-O 3.28Å; K983-P1020 HydrophobicContact CG-CG 4.48Å | ||
| 984 | R | 89.9 | Confident | 88.6 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.6 | 179.4 | -65 | -174.2 | -55 | 113.1 | 12.7 | 111.4 | I976 W977 L978 P1019 P1020 S1022 D1031 | I976-R984 HydrophobicContact CD1-CG 4.38Å; W977-R984 CarbonylContact O-C 3.58Å; W977-R984 VanDerWaalsContact O-CA 3.23Å; W977-R984 WeakPolarHBondContact O-CA 3.32Å; L978-R984 HydrophobicContact CD2-CB 4.41Å; L978-R984 HydrophobicContact CD2-CG 3.59Å; R984-P1019 WeakPolarHBondContact CD-O 3.43Å; R984-P1019 HydrophobicContact CG-CB 4.04Å; R984-P1019 HydrophobicContact CG-CG 4.35Å; R984-P1019 WeakPolarHBondContact CG-O 3.24Å; R984-P1019 PolarHBondContact NE-O 3.05Å; R984-P1020 PolarHBondContact N-O 2.98Å; R984-S1022 WeakPolarHBondContact O-CB 3.35Å; R984-S1022 PolarHBondContact O-N 3.2Å; R984-D1031 IonicContact CZ-OD1 3.75Å; R984-D1031 IonicContact CZ-OD2 3.86Å; R984-D1031 IonicContact NH1-OD1 3.19Å; R984-D1031 PolarHBondContact NH1-OD1 3.42Å; R984-D1031 IonicContact NH1-OD2 2.77Å; R984-D1031 PolarHBondContact NH1-OD2 3.16Å; R984-D1031 IonicContact NH2-OD2 3.41Å; R984-D1031 PolarHBondContact NH2-OD2 3.19Å |
| 985 | V | 90.1 | Very high | 88.7 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 169 | -176.8 | -69.6 | 0 | 0 | 0 | 0 | 111.3 | W977 D979 C989 A992 C1025 | W977-V985 HydrophobicContact CB-CG2 4.02Å; W977-V985 WeakPolarHBondContact CB-O 3.47Å; W977-V985 WeakPolarHBondContact O-CG2 3.47Å; W977-V985 PolarHBondContact O-N 3.5Å; D979-V985 HydrophobicContact CB-CG1 3.85Å; V985-C989 HydrophobicContact CB-CB 3.89Å; V985-C989 HydrophobicContact CG2-CB 4.04Å; V985-A992 HydrophobicContact CG2-CB 3.79Å; V985-C1025 CarbonylContact C-O 3.57Å; V985-C1025 WeakPolarHBondContact CA-O 3.43Å; V985-C1025 WeakPolarHBondContact CB-O 3.36Å; V985-C1025 HydrophobicContact CG1-CB 4.47Å |
| 986 | A | 87.8 | Confident | 88.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | trans | -68.9 | 158 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D988 C989 C1025 P1026 Y1028 | A986-D988 WeakPolarHBondContact CB-OD1 3.08Å; A986-D988 PolarHBondContact O-N 2.86Å; A986-C989 VanDerWaalsContact CB-SG 3.57Å; A986-C989 PolarHBondContact N-SG 3.23Å; A986-C989 WeakPolarHBondContact O-CB 3.38Å; A986-C989 PolarHBondContact O-N 3.4Å; A986-C989 PolarHBondContact O-SG 3.36Å; A986-C1025 PolarHBondContact N-O 3.47Å; A986-C1025 VanDerWaalsContact N-O 3.14Å; A986-P1026 WeakPolarHBondContact CB-O 3.21Å; A986-Y1028 HydrophobicContact CB-CD2 3.5Å; A986-Y1028 VanDerWaalsContact CB-CD2 3.5Å; A986-Y1028 HydrophobicContact CB-CE2 3.59Å; A986-Y1028 HydrophobicContact CB-CG 4.06Å | ||
| 987 | A | 86.5 | Confident | 88.9 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | W977 | W977-A987 HydrophobicContact CD2-CB 3.91Å; W977-A987 HydrophobicContact CG-CB 4.09Å; W977-A987 HydrophobicContact CZ2-CB 3.96Å |
| 988 | D | 89.3 | Confident | 89 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.4 | 179.7 | 63.9 | -21.5 | 0 | 0 | 0 | 113.3 | A986 Y1028 | A986-D988 WeakPolarHBondContact CB-OD1 3.08Å; A986-D988 PolarHBondContact O-N 2.86Å; D988-Y1028 VanDerWaalsContact CG-CE2 3.41Å; D988-Y1028 WeakPolarHBondContact OD1-CE2 3.22Å; D988-Y1028 PolarHBondContact OD1-OH 3.33Å; D988-Y1028 VanDerWaalsContact OD2-CE2 3.29Å; D988-Y1028 WeakPolarHBondContact OD2-CE2 3.41Å; D988-Y1028 PolarHBondContact OD2-OH 2.97Å |
| 989 | C | 87.4 | Confident | 88.9 | Confident | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -68.6 | 140.5 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 111 | V985 A986 Q991 A992 C1025 | V985-C989 HydrophobicContact CB-CB 3.89Å; V985-C989 HydrophobicContact CG2-CB 4.04Å; A986-C989 VanDerWaalsContact CB-SG 3.57Å; A986-C989 PolarHBondContact N-SG 3.23Å; A986-C989 WeakPolarHBondContact O-CB 3.38Å; A986-C989 PolarHBondContact O-N 3.4Å; A986-C989 PolarHBondContact O-SG 3.36Å; C989-Q991 PolarHBondContact O-N 3.13Å; C989-A992 HydrophobicContact CB-CB 4.28Å; C989-A992 VanDerWaalsContact O-CB 3.22Å; C989-A992 WeakPolarHBondContact O-CB 3.47Å; C989-A992 PolarHBondContact O-N 3.41Å; C989-A992 VanDerWaalsContact O-N 3.13Å; C989-C1025 HydrophobicContact CB-CB 3.81Å; C989-C1025 WeakPolarHBondContact CB-SG 3.07Å; C989-C1025 WeakPolarHBondContact SG-CB 3.43Å; C989-C1025 PolarHBondContact SG-O 3.46Å; C989-C1025 VanDerWaalsContact SG-O 3.37Å; C989-C1025 CovalentContact SG-SG 2Å; C989-C1025 PolarHBondContact SG-SG 3.06Å |
| 990 | P | 83.2 | Confident | 89 | Confident | 110 Ų | 110 | 62.4 Ų | 62.4 | 71% | 0.714 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133.9 | 174.7 | -23.3 | 32.3 | 0 | 0 | 0 | 110.8 | A992 | P990-A992 PolarHBondContact O-N 2.87Š|
| 991 | Q | 85 | Confident | 89 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 11.6 | 179.5 | -48 | 175.6 | -51.1 | 0 | 0 | 116 | E980 C989 R993 | E980-Q991 VanDerWaalsContact CD-OE1 3.26Å; E980-Q991 HydrophobicContact CG-CB 4.39Å; E980-Q991 PolarHBondContact OE1-NE2 3.33Å; E980-Q991 PolarHBondContact OE1-OE1 3.48Å; C989-Q991 PolarHBondContact O-N 3.13Å; Q991-R993 PolarHBondContact O-N 3.08Å |
| 992 | A | 88.1 | Confident | 88.7 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | trans | -58.2 | 122.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W977 L978 V985 C989 P990 | W977-A992 HydrophobicContact CB-CB 4.29Å; W977-A992 HydrophobicContact CE3-CB 3.79Å; L978-A992 CarbonylContact O-C 3.45Å; L978-A992 WeakPolarHBondContact O-CA 3.29Å; V985-A992 HydrophobicContact CG2-CB 3.79Å; C989-A992 HydrophobicContact CB-CB 4.28Å; C989-A992 VanDerWaalsContact O-CB 3.22Å; C989-A992 WeakPolarHBondContact O-CB 3.47Å; C989-A992 PolarHBondContact O-N 3.41Å; C989-A992 VanDerWaalsContact O-N 3.13Å; P990-A992 PolarHBondContact O-N 2.87Å | ||
| 993 | R | 91.1 | Very high | 88.5 | Confident | 182 Ų | 182 | 50.7 Ų | 50.7 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.6 | 174.6 | -65.8 | -175.3 | -176.4 | -179.2 | 3.1 | 109.8 | W977 L978 Q991 | W977-R993 CarbonylContact C-O 3.5Å; W977-R993 WeakPolarHBondContact CA-O 3.21Å; L978-R993 PolarHBondContact N-O 3.25Å; L978-R993 PolarHBondContact O-N 3.46Å; Q991-R993 PolarHBondContact O-N 3.08Å |
| 994 | Q | 90.9 | Very high | 88.5 | Confident | 114 Ų | 114 | 46.7 Ų | 46.7 | 53% | 0.533 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.8 | 176.1 | -172.3 | -178.8 | -8.4 | 0 | 0 | 110.4 | P975 I976 W977 | P975-Q994 HydrophobicContact CB-CG 3.75Å; I976-Q994 CarbonylContact O-C 3.48Å; I976-Q994 WeakPolarHBondContact O-CA 3.34Å; W977-Q994 HydrophobicContact CD2-CB 4.25Å; W977-Q994 HydrophobicContact CE3-CB 3.99Å; W977-Q994 HydrophobicContact CH2-CB 3.99Å; W977-Q994 HydrophobicContact CH2-CG 4.5Å; W977-Q994 HydrophobicContact CZ2-CB 4.22Å; W977-Q994 HydrophobicContact CZ2-CG 4.28Å; W977-Q994 HydrophobicContact CZ3-CB 3.87Å |
| 995 | E | 89.7 | Confident | 88.2 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.8 | 171.2 | -170.1 | 177.1 | 144.9 | 0 | 0 | 109.6 | P975 I976 L978 | P975-E995 WeakPolarHBondContact CA-O 2.94Å; I976-E995 HydrophobicContact CG1-CB 4.18Å; I976-E995 WeakPolarHBondContact CG1-O 3.44Å; I976-E995 PolarHBondContact N-O 3.32Å; I976-E995 PolarHBondContact O-N 3.27Å; L978-E995 HydrophobicContact CD1-CB 4.29Å; L978-E995 WeakPolarHBondContact CD1-OE2 3.36Å |
| 996 | M | 90.3 | Very high | 87.9 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125 | 176.1 | -70.1 | -59.5 | -58.1 | 0 | 0 | 109.9 | N943 R973 P975 | N943-M996 PolarHBondContact ND2-O 3.31Å; R973-M996 HydrophobicContact CG-CE 3.63Å; P975-M996 HydrophobicContact CB-SD 3.79Å; P975-M996 HydrophobicContact CG-SD 4.46Å |
| 997 | I | 91 | Very high | 87.7 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.9 | 177.9 | -165 | 162.2 | 0 | 0 | 0 | 111.5 | N943 R973 F974 I976 V999 R1017 L1018 | N943-I997 WeakPolarHBondContact OD1-CA 3.13Å; R973-I997 WeakPolarHBondContact CA-O 3.41Å; F974-I997 HydrophobicContact CD2-CG2 4.1Å; F974-I997 HydrophobicContact CE2-CG2 3.79Å; F974-I997 HydrophobicContact CZ-CG2 4.14Å; F974-I997 PolarHBondContact N-O 2.98Å; F974-I997 PolarHBondContact O-N 3.48Å; F974-I997 VanDerWaalsContact O-N 3.07Å; I976-I997 HydrophobicContact CD1-CB 4.39Å; I976-I997 HydrophobicContact CD1-CD1 4.29Å; I976-I997 HydrophobicContact CD1-CG2 4.37Å; I976-I997 HydrophobicContact CG1-CG2 4.41Å; I976-I997 HydrophobicContact CG2-CG2 3.85Å; I997-V999 HydrophobicContact CG1-CG1 4.38Å; I997-R1017 WeakPolarHBondContact CD1-O 3.48Å; I997-L1018 HydrophobicContact CD1-CD2 4.26Å; I997-L1018 HydrophobicContact CG2-CD2 4.23Å |
| 998 | N | 91.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.1 | 168.8 | -68.3 | -11.7 | 0 | 0 | 0 | 109.5 | P932 N943 I972 R973 R1017 | P932-N998 HydrophobicContact CG-CB 4.08Å; N943-N998 HydrophobicContact CB-CB 3.95Å; N943-N998 PolarHBondContact OD1-N 3.37Å; I972-N998 CarbonylContact O-C 3.59Å; I972-N998 WeakPolarHBondContact O-CA 3.38Å; R973-N998 WeakPolarHBondContact CB-OD1 3.49Å; R973-N998 WeakPolarHBondContact CD-OD1 3.23Å; R973-N998 WeakPolarHBondContact CG-OD1 3.42Å; N998-R1017 PolarHBondContact O-NH2 3.34Å |
| 999 | V | 90.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -111.2 | 161.8 | 176 | -68.7 | 0 | 0 | 0 | 0 | 110.2 | P932 I972 F974 I997 R1014 R1017 | P932-V999 WeakPolarHBondContact CB-O 3.5Å; P932-V999 VanDerWaalsContact CG-C 3.45Å; P932-V999 WeakPolarHBondContact CG-O 3.14Å; I972-V999 HydrophobicContact CB-CG2 4.38Å; I972-V999 WeakPolarHBondContact CB-O 3.24Å; I972-V999 WeakPolarHBondContact O-CG2 3.23Å; I972-V999 PolarHBondContact O-N 2.99Å; F974-V999 HydrophobicContact CD1-CG2 4.49Å; F974-V999 HydrophobicContact CE1-CG2 3.52Å; F974-V999 HydrophobicContact CZ-CG1 4.36Å; F974-V999 HydrophobicContact CZ-CG2 4.08Å; I997-V999 HydrophobicContact CG1-CG1 4.38Å; V999-R1014 HydrophobicContact CG1-CG 4.27Å; V999-R1017 HydrophobicContact CG1-CB 4.5Å | ||
| 1000 | W | 91.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | trans | -73 | 150.3 | 175.1 | -64.3 | 87.5 | 0 | 0 | 0 | 110.2 | L707 P730 W931 P932 R945 L1002 L1004 L1008 E1012 R1014 | L707-W1000 HydrophobicContact CD1-CE3 4.2Å; L707-W1000 HydrophobicContact CD1-CZ3 3.67Å; L707-W1000 HydrophobicContact CD2-CE3 4.25Å; L707-W1000 HydrophobicContact CD2-CZ3 4.47Å; P730-W1000 HydrophobicContact CB-CE3 4.3Å; P730-W1000 HydrophobicContact CB-CZ3 3.77Å; P730-W1000 HydrophobicContact CG-CZ3 4.25Å; W931-W1000 HydrophobicContact CB-CH2 4.02Å; W931-W1000 HydrophobicContact CB-CZ3 4.24Å; W931-W1000 AromaticContact CE3-CH2 3.9Å; W931-W1000 HydrophobicContact CE3-CH2 3.9Å; W931-W1000 AromaticContact CE3-CZ3 3.9Å; W931-W1000 HydrophobicContact CE3-CZ3 3.9Å; P932-W1000 HydrophobicContact CB-CB 4.48Å; P932-W1000 HydrophobicContact CB-CD2 3.9Å; P932-W1000 HydrophobicContact CB-CE3 4.01Å; P932-W1000 HydrophobicContact CB-CG 4.11Å; P932-W1000 HydrophobicContact CG-CD2 4.39Å; P932-W1000 HydrophobicContact CG-CG 4.32Å; R945-W1000 HydrophobicContact CB-CZ2 3.85Å; W1000-L1002 PolarHBondContact O-N 3.37Å; W1000-L1004 HydrophobicContact CE3-CD1 4.3Å; W1000-L1008 HydrophobicContact CB-CD1 3.34Å; W1000-L1008 HydrophobicContact CB-CD2 4.42Å; W1000-L1008 HydrophobicContact CB-CG 4.48Å; W1000-L1008 HydrophobicContact CD2-CD1 4.12Å; W1000-L1008 HydrophobicContact CD2-CD2 3.61Å; W1000-L1008 HydrophobicContact CE3-CD2 3.81Å; W1000-L1008 HydrophobicContact CG-CD1 3.45Å; W1000-L1008 VanDerWaalsContact CG-CD1 3.45Å; W1000-L1008 HydrophobicContact CG-CD2 3.89Å; W1000-L1008 HydrophobicContact CG-CG 4.33Å; W1000-L1008 HydrophobicContact CZ2-CD2 4.4Å; W1000-L1008 HydrophobicContact CZ3-CD2 4.28Å; W1000-E1012 PolarHBondContact NE1-OE2 3.38Å; W1000-R1014 PolarHBondContact O-NH2 2.94Å | ||
| 1001 | P | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -50.7 | 132.9 | 170.2 | -27.1 | 29.2 | 0 | 0 | 0 | 112.3 | L707 T960 L962 E967 I972 P1003 L1004 | L707-P1001 HydrophobicContact CD2-CG 3.81Å; T960-P1001 HydrophobicContact CG2-CG 4.26Å; L962-P1001 HydrophobicContact CD2-CB 4.24Å; L962-P1001 HydrophobicContact CD2-CG 3.88Å; E967-P1001 WeakPolarHBondContact OE1-CA 3.37Å; I972-P1001 HydrophobicContact CG2-CB 4.46Å; I972-P1001 HydrophobicContact CG2-CG 4.16Å; P1001-P1003 VanDerWaalsContact C-CD 3.43Å; P1001-P1003 VanDerWaalsContact C-N 3.33Å; P1001-L1004 HydrophobicContact CB-CD1 4.02Å; P1001-L1004 HydrophobicContact CB-CG 4.28Å; P1001-L1004 HydrophobicContact CG-CD1 3.89Å; P1001-L1004 VanDerWaalsContact O-CB 3.27Å; P1001-L1004 WeakPolarHBondContact O-CB 3.39Å; P1001-L1004 PolarHBondContact O-N 3.11Å | ||
| 1002 | L | 82.5 | Confident | 88 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -51.6 | -41.6 | -176 | -72.7 | 174.7 | 0 | 0 | 0 | 113.6 | E967 W1000 L1004 E1005 L1034 | E967-L1002 WeakPolarHBondContact OE1-CG 3.44Å; E967-L1002 PolarHBondContact OE1-N 3.46Å; W1000-L1002 PolarHBondContact O-N 3.37Å; L1002-L1004 PolarHBondContact O-N 3.07Å; L1002-L1004 VanDerWaalsContact O-N 3.08Å; L1002-E1005 VanDerWaalsContact O-CB 3.31Å; L1002-E1005 WeakPolarHBondContact O-CB 3.27Å; L1002-E1005 WeakPolarHBondContact O-CG 3.4Å; L1002-E1005 PolarHBondContact O-N 3.02Å; L1002-E1005 VanDerWaalsContact O-N 3.08Å; L1002-L1034 HydrophobicContact CB-CD2 3.67Å; L1002-L1034 HydrophobicContact CD1-CD2 4.05Å; L1002-L1034 HydrophobicContact CD2-CD2 3.6Å; L1002-L1034 HydrophobicContact CD2-CG 4.01Å; L1002-L1034 HydrophobicContact CG-CD2 3.95Å |
| 1003 | P | 82.5 | Confident | 87.9 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -62.9 | -15.7 | 176.9 | -26 | 38.3 | 0 | 0 | 0 | 114.3 | V711 Q966 P1001 W1007 | V711-P1003 HydrophobicContact CG2-CB 3.84Å; Q966-P1003 HydrophobicContact CB-CG 4.14Å; Q966-P1003 HydrophobicContact CG-CG 3.98Å; P1001-P1003 VanDerWaalsContact C-CD 3.43Å; P1001-P1003 VanDerWaalsContact C-N 3.33Å; P1003-W1007 WeakPolarHBondContact O-CZ3 3.37Å |
| 1004 | L | 88.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -86.4 | -16.2 | 177.2 | -63 | 174.1 | 0 | 0 | 0 | 112.9 | L707 Q709 V711 P730 W1000 P1001 L1002 P1006 W1007 L1008 | L707-L1004 HydrophobicContact CD2-CD1 3.91Å; L707-L1004 HydrophobicContact CG-CD1 4.44Å; Q709-L1004 HydrophobicContact CB-CD2 4.25Å; Q709-L1004 HydrophobicContact CG-CD1 4.2Å; Q709-L1004 HydrophobicContact CG-CD2 4.22Å; Q709-L1004 HydrophobicContact CG-CG 4.2Å; V711-L1004 HydrophobicContact CG1-CD2 3.71Å; P730-L1004 HydrophobicContact CB-CD1 4.03Å; P730-L1004 HydrophobicContact CB-CD2 4.32Å; W1000-L1004 HydrophobicContact CE3-CD1 4.3Å; P1001-L1004 HydrophobicContact CB-CD1 4.02Å; P1001-L1004 HydrophobicContact CB-CG 4.28Å; P1001-L1004 HydrophobicContact CG-CD1 3.89Å; P1001-L1004 VanDerWaalsContact O-CB 3.27Å; P1001-L1004 WeakPolarHBondContact O-CB 3.39Å; P1001-L1004 PolarHBondContact O-N 3.11Å; L1002-L1004 PolarHBondContact O-N 3.07Å; L1002-L1004 VanDerWaalsContact O-N 3.08Å; L1004-P1006 VanDerWaalsContact C-CD 3.45Å; L1004-P1006 VanDerWaalsContact C-N 3.32Å; L1004-P1006 VanDerWaalsContact O-N 3.12Å; L1004-W1007 WeakPolarHBondContact O-CA 3.28Å; L1004-W1007 PolarHBondContact O-N 3.09Å; L1004-L1008 HydrophobicContact CB-CD1 4.44Å; L1004-L1008 HydrophobicContact CB-CG 4.42Å; L1004-L1008 WeakPolarHBondContact O-CG 3.22Å; L1004-L1008 PolarHBondContact O-N 3.31Å |
| 1005 | E | 85.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -44.7 | -45.7 | -176.3 | -78.1 | -74.7 | 152.6 | 0 | 0 | 114.4 | L1002 W1007 L1008 R1013 R1014 | L1002-E1005 VanDerWaalsContact O-CB 3.31Å; L1002-E1005 WeakPolarHBondContact O-CB 3.27Å; L1002-E1005 WeakPolarHBondContact O-CG 3.4Å; L1002-E1005 PolarHBondContact O-N 3.02Å; L1002-E1005 VanDerWaalsContact O-N 3.08Å; E1005-W1007 VanDerWaalsContact C-N 3.25Å; E1005-W1007 PolarHBondContact O-N 2.84Å; E1005-L1008 PolarHBondContact O-N 2.86Å; E1005-R1013 PolarHBondContact O-NE 3.28Å; E1005-R1013 WeakPolarHBondContact OE2-CA 3.33Å; E1005-R1013 WeakPolarHBondContact OE2-CB 3.37Å; E1005-R1013 WeakPolarHBondContact OE2-CG 3.32Å; E1005-R1014 WeakPolarHBondContact OE1-CB 3.31Å; E1005-R1014 PolarHBondContact OE1-N 3.47Å; E1005-R1014 PolarHBondContact OE2-N 3.48Å |
| 1006 | P | 82.4 | Confident | 87 | Confident | 91 Ų | 91 | 43 Ų | 43 | 59% | 0.591 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -64.4 | -25.3 | 178.1 | -22.2 | 33.5 | 0 | 0 | 0 | 114.8 | L1004 | L1004-P1006 VanDerWaalsContact C-CD 3.45Å; L1004-P1006 VanDerWaalsContact C-N 3.32Å; L1004-P1006 VanDerWaalsContact O-N 3.12Å |
| 1007 | W | 85 | Confident | 86.8 | Confident | 93 Ų | 93 | 41.7 Ų | 41.7 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -94.3 | -7 | -177.3 | -67.5 | -96.6 | 0 | 0 | 0 | 113.5 | V711 P712 F727 P1003 L1004 E1005 | V711-W1007 HydrophobicContact CB-CE3 4.43Å; V711-W1007 HydrophobicContact CB-CH2 3.98Å; V711-W1007 HydrophobicContact CB-CZ2 4.31Å; V711-W1007 HydrophobicContact CB-CZ3 4.03Å; V711-W1007 HydrophobicContact CG1-CD2 3.83Å; V711-W1007 HydrophobicContact CG1-CE3 3.58Å; V711-W1007 HydrophobicContact CG1-CH2 3.97Å; V711-W1007 HydrophobicContact CG1-CZ2 4.14Å; V711-W1007 HydrophobicContact CG1-CZ3 3.68Å; P712-W1007 HydrophobicContact CG-CH2 4.18Å; P712-W1007 HydrophobicContact CG-CZ2 4.3Å; F727-W1007 HydrophobicContact CB-CZ2 4.09Å; F727-W1007 PolarHBondContact O-NE1 3.3Å; P1003-W1007 WeakPolarHBondContact O-CZ3 3.37Å; L1004-W1007 WeakPolarHBondContact O-CA 3.28Å; L1004-W1007 PolarHBondContact O-N 3.09Å; E1005-W1007 VanDerWaalsContact C-N 3.25Å; E1005-W1007 PolarHBondContact O-N 2.84Å |
| 1008 | L | 88.2 | Confident | 86.6 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -86.2 | 144.9 | 179.8 | -62.7 | 169.4 | 0 | 0 | 0 | 111.3 | P730 W1000 L1004 E1005 E1012 R1013 | P730-L1008 HydrophobicContact CG-CD2 4.25Å; W1000-L1008 HydrophobicContact CB-CD1 3.34Å; W1000-L1008 HydrophobicContact CB-CD2 4.42Å; W1000-L1008 HydrophobicContact CB-CG 4.48Å; W1000-L1008 HydrophobicContact CD2-CD1 4.12Å; W1000-L1008 HydrophobicContact CD2-CD2 3.61Å; W1000-L1008 HydrophobicContact CE3-CD2 3.81Å; W1000-L1008 HydrophobicContact CG-CD1 3.45Å; W1000-L1008 VanDerWaalsContact CG-CD1 3.45Å; W1000-L1008 HydrophobicContact CG-CD2 3.89Å; W1000-L1008 HydrophobicContact CG-CG 4.33Å; W1000-L1008 HydrophobicContact CZ2-CD2 4.4Å; W1000-L1008 HydrophobicContact CZ3-CD2 4.28Å; L1004-L1008 HydrophobicContact CB-CD1 4.44Å; L1004-L1008 HydrophobicContact CB-CG 4.42Å; L1004-L1008 WeakPolarHBondContact O-CG 3.22Å; L1004-L1008 PolarHBondContact O-N 3.31Å; E1005-L1008 PolarHBondContact O-N 2.86Å; L1008-E1012 HydrophobicContact CB-CB 4.19Å; L1008-R1013 HydrophobicContact CB-CG 4.29Å; L1008-R1013 PolarHBondContact O-NE 3.11Å |
| 1009 | P | 86.6 | Confident | 86.4 | Confident | 78 Ų | 78 | 43.8 Ų | 43.8 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | trans | -52.6 | 146.8 | 164.3 | -22.9 | 33.2 | 0 | 0 | 0 | 110.7 | S1011 E1012 R1013 | P1009-S1011 PolarHBondContact O-N 3.33Å; P1009-E1012 PolarHBondContact O-N 2.82Å; P1009-R1013 PolarHBondContact O-N 3.11Å | ||
| 1010 | A | 84.8 | Confident | 86.1 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -54.6 | -32.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1012 V1016 | A1010-E1012 VanDerWaalsContact C-N 3.28Å; A1010-E1012 PolarHBondContact O-N 3.45Å; A1010-V1016 WeakPolarHBondContact O-CG2 3.45Å |
| 1011 | S | 87.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -67.6 | -20.2 | 176.9 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | P1009 | P1009-S1011 PolarHBondContact O-N 3.33Š|
| 1012 | E | 89.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -100.5 | -11.9 | -177.4 | -70.3 | -62.9 | 147.8 | 0 | 0 | 113.2 | R945 W1000 L1008 P1009 A1010 | R945-E1012 WeakPolarHBondContact CG-OE2 3.2Å; R945-E1012 IonicContact CZ-OE1 2.73Å; R945-E1012 VanDerWaalsContact CZ-OE1 3.29Å; R945-E1012 IonicContact CZ-OE2 3.44Å; R945-E1012 IonicContact NE-OE1 3.18Å; R945-E1012 PolarHBondContact NE-OE1 3.49Å; R945-E1012 IonicContact NE-OE2 3.34Å; R945-E1012 PolarHBondContact NE-OE2 3.45Å; R945-E1012 IonicContact NH2-OE1 3Å; R945-E1012 PolarHBondContact NH2-OE1 3.04Å; R945-E1012 IonicContact NH2-OE2 3.55Å; W1000-E1012 PolarHBondContact NE1-OE2 3.38Å; L1008-E1012 HydrophobicContact CB-CB 4.19Å; P1009-E1012 PolarHBondContact O-N 2.82Å; A1010-E1012 VanDerWaalsContact C-N 3.28Å; A1010-E1012 PolarHBondContact O-N 3.45Å |
| 1013 | R | 86.8 | Confident | 85.9 | Confident | 105 Ų | 105 | 55.4 Ų | 55.4 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -63.2 | 146.4 | 179.6 | -69 | -174.8 | -175 | 167.4 | 0.6 | 111.5 | E1005 L1008 P1009 A1015 V1016 R1017 | E1005-R1013 PolarHBondContact O-NE 3.28Å; E1005-R1013 WeakPolarHBondContact OE2-CA 3.33Å; E1005-R1013 WeakPolarHBondContact OE2-CB 3.37Å; E1005-R1013 WeakPolarHBondContact OE2-CG 3.32Å; L1008-R1013 HydrophobicContact CB-CG 4.29Å; L1008-R1013 PolarHBondContact O-NE 3.11Å; P1009-R1013 PolarHBondContact O-N 3.11Å; R1013-A1015 PolarHBondContact O-N 3.3Å; R1013-A1015 VanDerWaalsContact O-N 3.13Å; R1013-V1016 PolarHBondContact O-N 3.25Å; R1013-R1017 PolarHBondContact O-N 3.49Å |
| 1014 | R | 85.7 | Confident | 86 | Confident | 16 Ų | 16 | 61 Ų | 61 | 6% | 0.06 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.8 | -35.8 | -175.7 | -176.4 | 176.5 | -64.9 | -137.8 | 10.1 | 113.2 | E967 V999 W1000 E1005 V1016 R1017 L1018 | E967-R1014 IonicContact OE1-NH2 3.82Å; E967-R1014 IonicContact OE2-CZ 2.7Å; E967-R1014 IonicContact OE2-NH1 2.78Å; E967-R1014 IonicContact OE2-NH2 2.95Å; E967-R1014 PolarHBondContact OE2-NH2 2.95Å; V999-R1014 HydrophobicContact CG1-CG 4.27Å; W1000-R1014 PolarHBondContact O-NH2 2.94Å; E1005-R1014 WeakPolarHBondContact OE1-CB 3.31Å; E1005-R1014 PolarHBondContact OE1-N 3.47Å; E1005-R1014 PolarHBondContact OE2-N 3.48Å; R1014-V1016 VanDerWaalsContact C-N 3.26Å; R1014-V1016 PolarHBondContact O-N 2.99Å; R1014-R1017 PolarHBondContact O-N 2.94Å; R1014-L1018 HydrophobicContact CG-CD1 3.66Å; R1014-L1018 HydrophobicContact CG-CG 4.13Å; R1014-L1018 WeakPolarHBondContact O-CB 3.09Å; R1014-L1018 WeakPolarHBondContact O-CG 3.13Å; R1014-L1018 PolarHBondContact O-N 3.49Å |
| 1015 | A | 81 | Confident | 85.9 | Confident | 92 Ų | 92 | 62.8 Ų | 62.8 | 76% | 0.76 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.3 | -27.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1013 | R1013-A1015 PolarHBondContact O-N 3.3Å; R1013-A1015 VanDerWaalsContact O-N 3.13Å |
| 1016 | V | 85.2 | Confident | 85.7 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 58% | 0.576 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -94.2 | -33.6 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 111 | A1010 R1013 R1014 | A1010-V1016 WeakPolarHBondContact O-CG2 3.45Å; R1013-V1016 PolarHBondContact O-N 3.25Å; R1014-V1016 VanDerWaalsContact C-N 3.26Å; R1014-V1016 PolarHBondContact O-N 2.99Å |
| 1017 | R | 86.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 178.1 | -88.2 | -74.4 | -83.7 | 140.1 | -9.7 | 113.5 | N943 I997 N998 V999 R1013 R1014 P1019 | N943-R1017 PolarHBondContact OD1-NH2 3.37Å; I997-R1017 WeakPolarHBondContact CD1-O 3.48Å; N998-R1017 PolarHBondContact O-NH2 3.34Å; V999-R1017 HydrophobicContact CG1-CB 4.5Å; R1013-R1017 PolarHBondContact O-N 3.49Å; R1014-R1017 PolarHBondContact O-N 2.94Å; R1017-P1019 WeakPolarHBondContact O-CD 3.43Å |
| 1018 | L | 86.7 | Confident | 84.7 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -82 | 123.9 | 176.8 | -67.3 | 173.4 | 0 | 0 | 0 | 109.7 | F974 I976 I997 R1014 D1031 | F974-L1018 HydrophobicContact CE2-CD2 4.03Å; F974-L1018 HydrophobicContact CZ-CD2 4.1Å; I976-L1018 HydrophobicContact CG2-CD2 4.07Å; I997-L1018 HydrophobicContact CD1-CD2 4.26Å; I997-L1018 HydrophobicContact CG2-CD2 4.23Å; R1014-L1018 HydrophobicContact CG-CD1 3.66Å; R1014-L1018 HydrophobicContact CG-CG 4.13Å; R1014-L1018 WeakPolarHBondContact O-CB 3.09Å; R1014-L1018 WeakPolarHBondContact O-CG 3.13Å; R1014-L1018 PolarHBondContact O-N 3.49Å; L1018-D1031 HydrophobicContact CD1-CB 4.3Å |
| 1019 | P | 86.4 | Confident | 83.4 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 23% | 0.234 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 153.9 | 174.3 | -23.6 | 30.2 | 0 | 0 | 0 | 112.1 | I976 L978 G982 R984 R1017 | I976-P1019 HydrophobicContact CD1-CG 4.27Å; L978-P1019 HydrophobicContact CD2-CB 4.27Å; L978-P1019 HydrophobicContact CD2-CG 4.05Å; G982-P1019 WeakPolarHBondContact O-CB 3.32Å; R984-P1019 WeakPolarHBondContact CD-O 3.43Å; R984-P1019 HydrophobicContact CG-CB 4.04Å; R984-P1019 HydrophobicContact CG-CG 4.35Å; R984-P1019 WeakPolarHBondContact CG-O 3.24Å; R984-P1019 PolarHBondContact NE-O 3.05Å; R1017-P1019 WeakPolarHBondContact O-CD 3.43Å |
| 1020 | P | 85.6 | Confident | 81.8 | Confident | 93 Ų | 93 | 71 Ų | 71 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 144.2 | -179.1 | 24.1 | -33 | 0 | 0 | 0 | 111.4 | K983 R984 | K983-P1020 CarbonylContact C-O 3.54Å; K983-P1020 VanDerWaalsContact CA-O 3.32Å; K983-P1020 WeakPolarHBondContact CA-O 3.47Å; K983-P1020 WeakPolarHBondContact CB-O 3.28Å; K983-P1020 HydrophobicContact CG-CG 4.48Å; R984-P1020 PolarHBondContact N-O 2.98Å |
| 1021 | A | 85.7 | Confident | 80.2 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 139.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | P1027 | A1021-P1027 HydrophobicContact CB-CG 4.31Å |
| 1022 | S | 86.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.028 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 134.9 | 172.7 | -175 | 0 | 0 | 0 | 0 | 109.9 | R984 I1024 P1026 | R984-S1022 WeakPolarHBondContact O-CB 3.35Å; R984-S1022 PolarHBondContact O-N 3.2Å; S1022-I1024 VanDerWaalsContact C-N 3.27Å; S1022-I1024 PolarHBondContact OG-N 2.86Å; S1022-P1026 VanDerWaalsContact O-CA 3.27Å; S1022-P1026 WeakPolarHBondContact O-CA 3.43Å; S1022-P1026 WeakPolarHBondContact O-CB 3.48Å |
| 1023 | T | 85.4 | Confident | 76.9 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 79% | 0.791 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -78.5 | -14.5 | 173.3 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1024 | I | 84.8 | Confident | 75.5 | Confident | 153 Ų | 153 | 69.1 Ų | 69.1 | 79% | 0.785 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -87.2 | -45.1 | -175.6 | -59.6 | 173.4 | 0 | 0 | 0 | 110.6 | S1022 | S1022-I1024 VanDerWaalsContact C-N 3.27Å; S1022-I1024 PolarHBondContact OG-N 2.86Å |
| 1025 | C | 86.8 | Confident | 74.5 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 25% | 0.25 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -140.3 | 67.9 | -176.8 | -160.2 | 0 | 0 | 0 | 0 | 108.8 | V985 A986 C989 | V985-C1025 CarbonylContact C-O 3.57Å; V985-C1025 WeakPolarHBondContact CA-O 3.43Å; V985-C1025 WeakPolarHBondContact CB-O 3.36Å; V985-C1025 HydrophobicContact CG1-CB 4.47Å; A986-C1025 PolarHBondContact N-O 3.47Å; A986-C1025 VanDerWaalsContact N-O 3.14Å; C989-C1025 HydrophobicContact CB-CB 3.81Å; C989-C1025 WeakPolarHBondContact CB-SG 3.07Å; C989-C1025 WeakPolarHBondContact SG-CB 3.43Å; C989-C1025 PolarHBondContact SG-O 3.46Å; C989-C1025 VanDerWaalsContact SG-O 3.37Å; C989-C1025 CovalentContact SG-SG 2Å; C989-C1025 PolarHBondContact SG-SG 3.06Å |
| 1026 | P | 82.1 | Confident | 74 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -62.2 | 148.8 | -172.2 | 26 | -34.4 | 0 | 0 | 0 | 111.1 | A986 S1022 Y1028 | A986-P1026 WeakPolarHBondContact CB-O 3.21Å; S1022-P1026 VanDerWaalsContact O-CA 3.27Å; S1022-P1026 WeakPolarHBondContact O-CA 3.43Å; S1022-P1026 WeakPolarHBondContact O-CB 3.48Å; P1026-Y1028 PolarHBondContact O-N 2.91Å | ||
| 1027 | P | 78.9 | Confident | 73.5 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | trans | -56 | 139.1 | 176.9 | 23.6 | -32.1 | 0 | 0 | 0 | 111.5 | A1021 G1029 | A1021-P1027 HydrophobicContact CB-CG 4.31Å; P1027-G1029 PolarHBondContact O-N 3.35Å | ||
| 1028 | Y | 67.7 | Low | 73.2 | Confident | 176 Ų | 176 | 67.8 Ų | 67.8 | 69% | 0.69 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -67 | 114.5 | 173.2 | -69.2 | -59.1 | 0 | 0 | 0 | 109.9 | A986 D988 P1026 | A986-Y1028 HydrophobicContact CB-CD2 3.5Å; A986-Y1028 VanDerWaalsContact CB-CD2 3.5Å; A986-Y1028 HydrophobicContact CB-CE2 3.59Å; A986-Y1028 HydrophobicContact CB-CG 4.06Å; D988-Y1028 VanDerWaalsContact CG-CE2 3.41Å; D988-Y1028 WeakPolarHBondContact OD1-CE2 3.22Å; D988-Y1028 PolarHBondContact OD1-OH 3.33Å; D988-Y1028 VanDerWaalsContact OD2-CE2 3.29Å; D988-Y1028 WeakPolarHBondContact OD2-CE2 3.41Å; D988-Y1028 PolarHBondContact OD2-OH 2.97Å; P1026-Y1028 PolarHBondContact O-N 2.91Å |
| 1029 | G | 59.8 | Low | 72.8 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 90.6 | 139.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1027 D1031 | P1027-G1029 PolarHBondContact O-N 3.35Å; G1029-D1031 PolarHBondContact O-N 3.3Å |
| 1030 | H | 52.7 | Low | 72.5 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 62% | 0.62 | 41% | 0.413 | S | S | * | . | trans | -62 | 121.3 | 175.9 | -71.2 | -33.4 | 0 | 0 | 0 | 110.1 | A1032 Q1033 | H1030-A1032 PolarHBondContact O-N 3.44Å; H1030-Q1033 HydrophobicContact CB-CG 4.09Å | ||
| 1031 | D | 52.4 | Low | 72.3 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 32% | 0.316 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 106.7 | 175.2 | -59.1 | -70 | 0 | 0 | 0 | 110.7 | R984 L1018 G1029 Q1033 | R984-D1031 IonicContact CZ-OD1 3.75Å; R984-D1031 IonicContact CZ-OD2 3.86Å; R984-D1031 IonicContact NH1-OD1 3.19Å; R984-D1031 PolarHBondContact NH1-OD1 3.42Å; R984-D1031 IonicContact NH1-OD2 2.77Å; R984-D1031 PolarHBondContact NH1-OD2 3.16Å; R984-D1031 IonicContact NH2-OD2 3.41Å; R984-D1031 PolarHBondContact NH2-OD2 3.19Å; L1018-D1031 HydrophobicContact CD1-CB 4.3Å; G1029-D1031 PolarHBondContact O-N 3.3Å; D1031-Q1033 PolarHBondContact O-N 3.39Å |
| 1032 | A | 52.9 | Low | 71.3 | Confident | 48 Ų | 48 | 71 Ų | 71 | 40% | 0.397 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 27.6 | 60.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1030 L1034 | H1030-A1032 PolarHBondContact O-N 3.44Å; A1032-L1034 PolarHBondContact O-N 2.9Å |
| 1033 | Q | 54.8 | Low | 70.9 | Confident | 58 Ų | 58 | 75.1 Ų | 75.1 | 27% | 0.271 | 42% | 0.417 | S | S | . | . | trans | -63.3 | 123 | 173.1 | -79.4 | 172.9 | -14.4 | 0 | 0 | 107.2 | H1030 D1031 A1066 V1103 | H1030-Q1033 HydrophobicContact CB-CG 4.09Å; D1031-Q1033 PolarHBondContact O-N 3.39Å; Q1033-A1066 HydrophobicContact CG-CB 4.18Å; Q1033-A1066 VanDerWaalsContact NE2-CB 3.28Å; Q1033-V1103 VanDerWaalsContact OE1-CG2 3.29Å | ||
| 1034 | L | 57.3 | Low | 70.7 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | trans | -45.4 | 131.3 | 175 | -79.1 | 155.8 | 0 | 0 | 0 | 108.9 | L1002 A1032 L1036 G1064 G1065 Q1105 | L1002-L1034 HydrophobicContact CB-CD2 3.67Å; L1002-L1034 HydrophobicContact CD1-CD2 4.05Å; L1002-L1034 HydrophobicContact CD2-CD2 3.6Å; L1002-L1034 HydrophobicContact CD2-CG 4.01Å; L1002-L1034 HydrophobicContact CG-CD2 3.95Å; A1032-L1034 PolarHBondContact O-N 2.9Å; L1034-L1036 PolarHBondContact O-N 3.44Å; L1034-G1064 VanDerWaalsContact CB-CA 3.4Å; L1034-G1065 WeakPolarHBondContact O-CA 3.42Å; L1034-G1065 PolarHBondContact O-N 3.25Å; L1034-Q1105 PolarHBondContact O-OE1 3.26Å | ||
| 1035 | P | 65.1 | Low | 70.5 | Confident | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | trans | -58 | 134.2 | 173.7 | 21.7 | -30.2 | 0 | 0 | 0 | 109.6 | Q1037 Q1105 | P1035-Q1037 PolarHBondContact O-N 2.88Å; P1035-Q1105 VanDerWaalsContact CA-OE1 3.29Å | ||
| 1036 | L | 70.9 | Confident | 70.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | trans | -61.3 | 124.1 | 175.5 | -174.3 | 63 | 0 | 0 | 0 | 109.4 | L1034 V1099 D1101 Q1105 A1107 | L1034-L1036 PolarHBondContact O-N 3.44Å; L1036-V1099 HydrophobicContact CD1-CG1 4.46Å; L1036-V1099 HydrophobicContact CD2-CG1 3.89Å; L1036-V1099 HydrophobicContact CD2-CG2 4.36Å; L1036-V1099 VanDerWaalsContact CD2-O 3.29Å; L1036-V1099 WeakPolarHBondContact CD2-O 3.35Å; L1036-V1099 HydrophobicContact CG-CG1 4.06Å; L1036-D1101 HydrophobicContact CD2-CB 4.09Å; L1036-Q1105 HydrophobicContact CB-CB 3.91Å; L1036-Q1105 HydrophobicContact CD2-CB 4.44Å; L1036-Q1105 VanDerWaalsContact CD2-O 3.26Å; L1036-Q1105 WeakPolarHBondContact CD2-O 3.43Å; L1036-A1107 HydrophobicContact CG-CB 4.19Å; L1036-A1107 WeakPolarHBondContact O-CB 3.28Å | ||
| 1037 | Q | 74.7 | Confident | 70.6 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.7 | 178.1 | -67.2 | -168.6 | 3.8 | 0 | 0 | 110.4 | P1035 S1062 S1063 | P1035-Q1037 PolarHBondContact O-N 2.88Å; Q1037-S1062 CarbonylContact O-C 3.58Å; Q1037-S1062 VanDerWaalsContact O-CA 3.24Å; Q1037-S1062 WeakPolarHBondContact O-CA 3.5Å; Q1037-S1063 PolarHBondContact N-O 3.36Å; Q1037-S1063 PolarHBondContact O-N 2.83Å |
| 1038 | L | 80.4 | Confident | 70.9 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.3 | 175.6 | -171.5 | 161.5 | 0 | 0 | 0 | 109.6 | V1041 L1060 W1071 L1097 V1099 A1107 V1109 | L1038-V1041 HydrophobicContact CD2-CG1 3.83Å; L1038-L1060 HydrophobicContact CD2-CD2 4.19Å; L1038-W1071 HydrophobicContact CD1-CE3 4.29Å; L1038-W1071 HydrophobicContact CD1-CH2 4.34Å; L1038-W1071 HydrophobicContact CD1-CZ3 3.54Å; L1038-W1071 HydrophobicContact CG-CH2 4.02Å; L1038-W1071 HydrophobicContact CG-CZ3 3.68Å; L1038-L1097 HydrophobicContact CD1-CD2 3.8Å; L1038-L1097 HydrophobicContact CD1-CG 3.91Å; L1038-L1097 HydrophobicContact CD2-CD2 4.2Å; L1038-L1097 HydrophobicContact CG-CD2 4.49Å; L1038-V1099 HydrophobicContact CB-CG1 4.1Å; L1038-V1099 HydrophobicContact CD1-CB 4.48Å; L1038-V1099 HydrophobicContact CD1-CG1 3.99Å; L1038-V1099 HydrophobicContact CG-CG1 4.36Å; L1038-A1107 HydrophobicContact CB-CB 4.08Å; L1038-V1109 HydrophobicContact CB-CG2 4.47Å; L1038-V1109 HydrophobicContact CD1-CG2 4.34Å; L1038-V1109 HydrophobicContact CD2-CB 4.39Å; L1038-V1109 HydrophobicContact CD2-CG2 3.91Å; L1038-V1109 HydrophobicContact CG-CG2 4.48Å |
| 1039 | T | 77.9 | Confident | 71.7 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 158.6 | 177.3 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | L1060 Q1061 | T1039-L1060 WeakPolarHBondContact O-CA 3.18Å; T1039-Q1061 WeakPolarHBondContact CA-O 3.47Å; T1039-Q1061 PolarHBondContact N-O 3.02Å; T1039-Q1061 PolarHBondContact O-N 2.87Å; T1039-Q1061 WeakPolarHBondContact OG1-CB 3.36Å; T1039-Q1061 PolarHBondContact OG1-O 3.37Å |
| 1040 | G | 79.4 | Confident | 72.6 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 107 | -26.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1059 | G1040-P1059 WeakPolarHBondContact CA-O 3.33Š|
| 1041 | V | 82.2 | Confident | 73.7 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -138.1 | 151.5 | 173.1 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | L1038 A1045 I1047 L1058 L1060 L1097 V1109 F1111 | L1038-V1041 HydrophobicContact CD2-CG1 3.83Å; V1041-A1045 HydrophobicContact CG2-CB 3.92Å; V1041-I1047 HydrophobicContact CG2-CD1 4.21Å; V1041-L1058 HydrophobicContact CB-CD1 4.18Å; V1041-L1058 HydrophobicContact CB-CD2 3.8Å; V1041-L1058 HydrophobicContact CB-CG 4.3Å; V1041-L1058 HydrophobicContact CG1-CD2 4.31Å; V1041-L1058 HydrophobicContact CG2-CD1 4.34Å; V1041-L1058 HydrophobicContact CG2-CD2 3.9Å; V1041-L1060 HydrophobicContact CB-CD2 3.76Å; V1041-L1060 HydrophobicContact CG1-CD2 3.4Å; V1041-L1097 HydrophobicContact CG1-CD2 4.07Å; V1041-V1109 HydrophobicContact CG1-CB 4.34Å; V1041-V1109 HydrophobicContact CG1-CG1 3.79Å; V1041-F1111 HydrophobicContact CG1-CD1 4.2Å; V1041-F1111 HydrophobicContact CG1-CE1 4.35Å; V1041-F1111 HydrophobicContact CG2-CB 3.94Å; V1041-F1111 HydrophobicContact CG2-CD1 3.7Å; V1041-F1111 HydrophobicContact CG2-CD2 4.42Å; V1041-F1111 HydrophobicContact CG2-CE1 4.3Å; V1041-F1111 HydrophobicContact CG2-CG 3.77Å |
| 1042 | R | 63.8 | Low | 75.2 | Confident | 142 Ų | 142 | 72.8 Ų | 72.8 | 54% | 0.536 | 43% | 0.425 | S | S | . | . | trans | -100.7 | 147.7 | 179.5 | -42.4 | -176.9 | 180 | -178.9 | -1.2 | 109.9 | G1044 A1045 V1109 | R1042-G1044 PolarHBondContact O-N 3.44Å; R1042-A1045 HydrophobicContact CB-CB 3.96Å; R1042-A1045 WeakPolarHBondContact O-CB 3.5Å; R1042-A1045 PolarHBondContact O-N 3.15Å; R1042-V1109 WeakPolarHBondContact O-CG1 3.33Å | ||
| 1043 | D | 79.3 | Confident | 76.6 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 129.5 | 164.3 | -161.9 | 46.5 | 0 | 0 | 0 | 109.3 | A1045 V1109 K1110 | D1043-A1045 VanDerWaalsContact C-N 3.3Å; D1043-A1045 PolarHBondContact O-N 3.28Å; D1043-V1109 HydrophobicContact CB-CG1 4.25Å; D1043-K1110 CarbonylContact C-O 3.48Å; D1043-K1110 VanDerWaalsContact CA-O 3.29Å; D1043-K1110 WeakPolarHBondContact CA-O 3.29Å; D1043-K1110 WeakPolarHBondContact OD1-CA 3.21Å; D1043-K1110 WeakPolarHBondContact OD1-CB 3.38Å; D1043-K1110 PolarHBondContact OD1-N 3.13Å |
| 1044 | G | 81.7 | Confident | 78 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 56% | 0.557 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 11.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1042 K1110 | R1042-G1044 PolarHBondContact O-N 3.44Å; G1044-K1110 PolarHBondContact N-O 3.27Å |
| 1045 | A | 80.2 | Confident | 79.5 | Confident | 15 Ų | 15 | 73.9 Ų | 73.9 | 12% | 0.124 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 141.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1041 R1042 D1043 I1047 F1111 V1112 | V1041-A1045 HydrophobicContact CG2-CB 3.92Å; R1042-A1045 HydrophobicContact CB-CB 3.96Å; R1042-A1045 WeakPolarHBondContact O-CB 3.5Å; R1042-A1045 PolarHBondContact O-N 3.15Å; D1043-A1045 VanDerWaalsContact C-N 3.3Å; D1043-A1045 PolarHBondContact O-N 3.28Å; A1045-I1047 HydrophobicContact CB-CD1 4.05Å; A1045-F1111 HydrophobicContact CB-CB 3.93Å; A1045-F1111 CarbonylContact O-C 3.48Å; A1045-F1111 WeakPolarHBondContact O-CA 3.09Å; A1045-F1111 WeakPolarHBondContact O-CB 3.45Å; A1045-V1112 PolarHBondContact O-N 3.43Å |
| 1046 | I | 86.8 | Confident | 80.6 | Confident | 99 Ų | 99 | 71 Ų | 71 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 109.9 | 167.8 | -60.4 | 175.6 | 0 | 0 | 0 | 107.5 | K1048 V1112 Q1114 | I1046-K1048 HydrophobicContact CG2-CG 4.47Å; I1046-V1112 CarbonylContact C-O 3.5Å; I1046-V1112 WeakPolarHBondContact CA-O 3.37Å; I1046-Q1114 HydrophobicContact CG2-CB 4.08Å; I1046-Q1114 HydrophobicContact CG2-CG 3.68Å |
| 1047 | I | 84.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.8 | 178.8 | -53.6 | -55.6 | 0 | 0 | 0 | 108.6 | V1041 A1045 A1056 L1058 F1111 V1112 M1113 Q1114 | V1041-I1047 HydrophobicContact CG2-CD1 4.21Å; A1045-I1047 HydrophobicContact CB-CD1 4.05Å; I1047-A1056 HydrophobicContact CG2-CB 3.71Å; I1047-L1058 HydrophobicContact CD1-CD1 3.96Å; I1047-F1111 HydrophobicContact CG1-CD2 3.94Å; I1047-F1111 HydrophobicContact CG1-CE2 4.5Å; I1047-V1112 PolarHBondContact N-O 3.1Å; I1047-M1113 WeakPolarHBondContact O-CA 3.35Å; I1047-Q1114 PolarHBondContact O-N 3.49Å |
| 1048 | K | 84.4 | Confident | 82.1 | Confident | 142 Ų | 142 | 69.7 Ų | 69.7 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | trans | -118.1 | 143.1 | 175.9 | -67.9 | -177.1 | 178.2 | -175.9 | 0 | 109.3 | I1046 Q1114 | I1046-K1048 HydrophobicContact CG2-CG 4.47Å; K1048-Q1114 HydrophobicContact CG-CB 4.09Å | ||
| 1049 | R | 84.2 | Confident | 82.5 | Confident | 90 Ų | 90 | 72.8 Ų | 72.8 | 34% | 0.34 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 146.7 | 169.4 | -54.5 | -174.7 | -162.8 | 147.1 | 19.1 | 109.7 | A1053 A1054 A1056 T1090 M1113 | R1049-A1053 WeakPolarHBondContact CD-O 3.3Å; R1049-A1054 WeakPolarHBondContact CD-O 3.49Å; R1049-A1054 PolarHBondContact NE-O 3.46Å; R1049-A1054 PolarHBondContact NH1-O 2.75Å; R1049-A1056 HydrophobicContact CG-CB 4.25Å; R1049-T1090 PolarHBondContact NH2-O 3.27Å; R1049-M1113 HydrophobicContact CG-CE 3.8Å |
| 1050 | L | 79.1 | Confident | 82.9 | Confident | 138 Ų | 138 | 70.4 Ų | 70.4 | 72% | 0.723 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 143.7 | 166.6 | -71.5 | 167.9 | 0 | 0 | 0 | 108.9 | G1052 A1053 | L1050-G1052 PolarHBondContact O-N 3.49Å; L1050-G1052 VanDerWaalsContact O-N 3.09Å; L1050-A1053 HydrophobicContact CB-CB 4.09Å; L1050-A1053 WeakPolarHBondContact O-CB 3.36Å; L1050-A1053 PolarHBondContact O-N 2.98Å |
| 1051 | P | 75.7 | Confident | 83.2 | Confident | 135 Ų | 135 | 72.8 Ų | 72.8 | 88% | 0.877 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 119.7 | 175.7 | -25.5 | 34.1 | 0 | 0 | 0 | 111.1 | ||
| 1052 | G | 82.6 | Confident | 83.3 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 94% | 0.938 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -8.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1050 | L1050-G1052 PolarHBondContact O-N 3.49Å; L1050-G1052 VanDerWaalsContact O-N 3.09Å |
| 1053 | A | 82.5 | Confident | 83.8 | Confident | 41 Ų | 41 | 68 Ų | 68 | 34% | 0.339 | 42% | 0.417 | S | S | . | . | trans | -83.6 | 136.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1049 L1050 E1055 | R1049-A1053 WeakPolarHBondContact CD-O 3.3Å; L1050-A1053 HydrophobicContact CB-CB 4.09Å; L1050-A1053 WeakPolarHBondContact O-CB 3.36Å; L1050-A1053 PolarHBondContact O-N 2.98Å; A1053-E1055 VanDerWaalsContact C-N 3.31Å | ||
| 1054 | A | 85 | Confident | 83.4 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 69% | 0.686 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -72 | -25.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1049 | R1049-A1054 WeakPolarHBondContact CD-O 3.49Å; R1049-A1054 PolarHBondContact NE-O 3.46Å; R1049-A1054 PolarHBondContact NH1-O 2.75Å |
| 1055 | E | 89.5 | Confident | 82.9 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -137.5 | 165.1 | -176.2 | 59.9 | 177.6 | -149.6 | 0 | 0 | 111.4 | A1053 H1088 L1089 T1090 | A1053-E1055 VanDerWaalsContact C-N 3.31Å; E1055-H1088 IonicContact OE1-CE1 3.39Å; E1055-H1088 IonicContact OE1-CG 2.65Å; E1055-H1088 IonicContact OE1-ND1 2.73Å; E1055-H1088 PolarHBondContact OE1-ND1 2.81Å; E1055-H1088 IonicContact OE2-ND1 2.73Å; E1055-L1089 WeakPolarHBondContact CA-O 3.43Å; E1055-T1090 HydrophobicContact CB-CG2 4.09Å |
| 1056 | A | 87.8 | Confident | 82.4 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I1047 R1049 L1089 | I1047-A1056 HydrophobicContact CG2-CB 3.71Å; R1049-A1056 HydrophobicContact CG-CB 4.25Å; A1056-L1089 PolarHBondContact N-O 2.81Å; A1056-L1089 PolarHBondContact O-N 3.42Å |
| 1057 | T | 88.6 | Confident | 82 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.2 | 175.8 | -43.8 | 0 | 0 | 0 | 0 | 109.7 | T1086 L1087 | T1057-T1086 HydrophobicContact CG2-CG2 3.37Å; T1057-L1087 WeakPolarHBondContact CA-O 3.39Å |
| 1058 | L | 87.2 | Confident | 81.9 | Confident | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 95.5 | -174.2 | -172.9 | 75.1 | 0 | 0 | 0 | 109.3 | V1041 I1047 L1060 L1087 L1089 F1111 | V1041-L1058 HydrophobicContact CB-CD1 4.18Å; V1041-L1058 HydrophobicContact CB-CD2 3.8Å; V1041-L1058 HydrophobicContact CB-CG 4.3Å; V1041-L1058 HydrophobicContact CG1-CD2 4.31Å; V1041-L1058 HydrophobicContact CG2-CD1 4.34Å; V1041-L1058 HydrophobicContact CG2-CD2 3.9Å; I1047-L1058 HydrophobicContact CD1-CD1 3.96Å; L1058-L1060 HydrophobicContact CD2-CD1 4.43Å; L1058-L1060 HydrophobicContact CD2-CD2 4.08Å; L1058-L1060 HydrophobicContact CD2-CG 4.43Å; L1058-L1060 HydrophobicContact CG-CD2 4.09Å; L1058-L1060 HydrophobicContact CG-CG 4.26Å; L1058-L1060 PolarHBondContact O-N 3.23Å; L1058-L1087 HydrophobicContact CB-CB 4.21Å; L1058-L1087 HydrophobicContact CD2-CD1 4.41Å; L1058-L1087 PolarHBondContact N-O 3.09Å; L1058-L1087 PolarHBondContact O-N 3.49Å; L1058-L1089 HydrophobicContact CD2-CD1 4.37Å; L1058-F1111 HydrophobicContact CD2-CE2 4.5Å; L1058-F1111 HydrophobicContact CD2-CZ 4.23Å |
| 1059 | P | 88.6 | Confident | 82 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 57% | 0.571 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.2 | 174.9 | 29.1 | -32.5 | 0 | 0 | 0 | 109.7 | G1040 | G1040-P1059 WeakPolarHBondContact CA-O 3.33Å |
| 1060 | L | 87.7 | Confident | 82.4 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.9 | -175.2 | -60 | 155 | 0 | 0 | 0 | 110.1 | L1038 T1039 V1041 L1058 W1071 N1084 V1085 L1087 L1097 | L1038-L1060 HydrophobicContact CD2-CD2 4.19Å; T1039-L1060 WeakPolarHBondContact O-CA 3.18Å; V1041-L1060 HydrophobicContact CB-CD2 3.76Å; V1041-L1060 HydrophobicContact CG1-CD2 3.4Å; L1058-L1060 HydrophobicContact CD2-CD1 4.43Å; L1058-L1060 HydrophobicContact CD2-CD2 4.08Å; L1058-L1060 HydrophobicContact CD2-CG 4.43Å; L1058-L1060 HydrophobicContact CG-CD2 4.09Å; L1058-L1060 HydrophobicContact CG-CG 4.26Å; L1058-L1060 PolarHBondContact O-N 3.23Å; L1060-W1071 HydrophobicContact CB-CH2 4.13Å; L1060-W1071 HydrophobicContact CB-CZ3 4.25Å; L1060-N1084 VanDerWaalsContact O-CA 3.31Å; L1060-N1084 WeakPolarHBondContact O-CA 3.47Å; L1060-V1085 WeakPolarHBondContact CA-O 3.41Å; L1060-V1085 HydrophobicContact CB-CG1 3.55Å; L1060-V1085 WeakPolarHBondContact CB-O 3.3Å; L1060-V1085 HydrophobicContact CD1-CG1 3.69Å; L1060-V1085 HydrophobicContact CG-CG1 4.27Å; L1060-V1085 PolarHBondContact N-O 3.17Å; L1060-V1085 PolarHBondContact O-N 3.29Å; L1060-L1087 HydrophobicContact CD1-CB 4.12Å; L1060-L1087 HydrophobicContact CD1-CD1 3.48Å; L1060-L1087 VanDerWaalsContact CD1-CD1 3.48Å; L1060-L1087 HydrophobicContact CD1-CG 3.55Å; L1060-L1097 HydrophobicContact CD1-CD2 3.38Å; L1060-L1097 HydrophobicContact CD2-CD2 3.87Å; L1060-L1097 HydrophobicContact CG-CD2 4.22Å |
| 1061 | Q | 85.3 | Confident | 83.1 | Confident | 100 Ų | 100 | 49 Ų | 49 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 137 | -179.7 | 177.2 | 169 | 23.8 | 0 | 0 | 110.2 | T1039 R1083 N1084 | T1039-Q1061 WeakPolarHBondContact CA-O 3.47Å; T1039-Q1061 PolarHBondContact N-O 3.02Å; T1039-Q1061 PolarHBondContact O-N 2.87Å; T1039-Q1061 WeakPolarHBondContact OG1-CB 3.36Å; T1039-Q1061 PolarHBondContact OG1-O 3.37Å; Q1061-R1083 CarbonylContact C-O 3.58Å; Q1061-R1083 VanDerWaalsContact CA-O 3.26Å; Q1061-R1083 WeakPolarHBondContact CA-O 3.47Å; Q1061-N1084 WeakPolarHBondContact CG-OD1 3.44Å |
| 1062 | S | 83.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139.5 | 169 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | Q1037 R1083 | Q1037-S1062 CarbonylContact O-C 3.58Å; Q1037-S1062 VanDerWaalsContact O-CA 3.24Å; Q1037-S1062 WeakPolarHBondContact O-CA 3.5Å; S1062-R1083 PolarHBondContact N-O 3.06Å; S1062-R1083 PolarHBondContact OG-O 3.39Å |
| 1063 | S | 74.5 | Confident | 84.4 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158.2 | 172.6 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | Q1037 | Q1037-S1063 PolarHBondContact N-O 3.36Å; Q1037-S1063 PolarHBondContact O-N 2.83Å |
| 1064 | G | 71.4 | Confident | 84.9 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 66 | -166.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1034 R1069 | L1034-G1064 VanDerWaalsContact CB-CA 3.4Å; G1064-R1069 PolarHBondContact O-NH2 3.2Å |
| 1065 | G | 72.2 | Confident | 85.1 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 68.5 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1034 R1069 D1101 | L1034-G1065 WeakPolarHBondContact O-CA 3.42Å; L1034-G1065 PolarHBondContact O-N 3.25Å; G1065-R1069 VanDerWaalsContact CA-NH2 3.33Å; G1065-R1069 PolarHBondContact O-NH2 2.91Å; G1065-R1069 VanDerWaalsContact O-NH2 3.12Å; G1065-D1101 WeakPolarHBondContact CA-OD2 3.4Å |
| 1066 | A | 68.9 | Low | 85.2 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -127.2 | 145.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1033 R1069 D1101 D1102 V1103 | Q1033-A1066 HydrophobicContact CG-CB 4.18Å; Q1033-A1066 VanDerWaalsContact NE2-CB 3.28Å; A1066-R1069 VanDerWaalsContact C-NH1 3.29Å; A1066-R1069 PolarHBondContact O-NH1 3.41Å; A1066-D1101 PolarHBondContact N-OD2 2.94Å; A1066-D1101 WeakPolarHBondContact O-CB 3.47Å; A1066-D1102 PolarHBondContact O-N 2.94Å; A1066-V1103 HydrophobicContact CB-CG1 4.03Å; A1066-V1103 HydrophobicContact CB-CG2 4.02Å |
| 1067 | G | 77.3 | Confident | 85.4 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 75.8 | -149.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | R1069 D1102 | G1067-R1069 PolarHBondContact O-NH1 3.39Å; G1067-D1102 WeakPolarHBondContact CA-OD2 3.19Å |
| 1068 | E | 83.7 | Confident | 85.5 | Confident | 76 Ų | 76 | 48 Ų | 48 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | trans | -70.5 | 164.6 | 177.6 | -144 | 180 | -162.7 | 0 | 0 | 111.3 | W1070 R1081 D1101 D1102 | E1068-W1070 HydrophobicContact CB-CH2 4.44Å; E1068-W1070 HydrophobicContact CB-CZ2 4.15Å; E1068-R1081 VanDerWaalsContact CD-CD 3.43Å; E1068-R1081 HydrophobicContact CG-CB 4.42Å; E1068-R1081 WeakPolarHBondContact OE1-CD 3.45Å; E1068-R1081 IonicContact OE1-NH1 3.6Å; E1068-R1081 WeakPolarHBondContact OE2-CD 3.49Å; E1068-R1081 IonicContact OE2-CZ 3.99Å; E1068-R1081 IonicContact OE2-NH1 2.84Å; E1068-R1081 PolarHBondContact OE2-NH1 3.16Å; E1068-D1101 WeakPolarHBondContact O-CA 3.4Å; E1068-D1102 WeakPolarHBondContact CA-OD1 3.49Å; E1068-D1102 WeakPolarHBondContact CB-OD1 3.5Å; E1068-D1102 PolarHBondContact N-OD1 3.44Å; E1068-D1102 PolarHBondContact N-OD2 3.3Å | ||
| 1069 | R | 87.1 | Confident | 85.2 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.011 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125 | 179.6 | -63.7 | -72.5 | 173.9 | -81.9 | -0.3 | 109.1 | G1064 G1065 A1066 G1067 G1082 V1099 M1100 | G1064-R1069 PolarHBondContact O-NH2 3.2Å; G1065-R1069 VanDerWaalsContact CA-NH2 3.33Å; G1065-R1069 PolarHBondContact O-NH2 2.91Å; G1065-R1069 VanDerWaalsContact O-NH2 3.12Å; A1066-R1069 VanDerWaalsContact C-NH1 3.29Å; A1066-R1069 PolarHBondContact O-NH1 3.41Å; G1067-R1069 PolarHBondContact O-NH1 3.39Å; R1069-G1082 WeakPolarHBondContact CB-O 3.43Å; R1069-G1082 PolarHBondContact O-N 3Å; R1069-V1099 HydrophobicContact CB-CG2 4.07Å; R1069-V1099 HydrophobicContact CG-CG2 4.45Å; R1069-M1100 WeakPolarHBondContact CA-O 3.3Å |
| 1070 | W | 91.4 | Very high | 84.7 | Confident | 71 Ų | 71 | 54 Ų | 54 | 27% | 0.269 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122 | 172.2 | -58.5 | -76.8 | 0 | 0 | 0 | 109.4 | E1068 F1072 V1099 M1100 D1102 | E1068-W1070 HydrophobicContact CB-CH2 4.44Å; E1068-W1070 HydrophobicContact CB-CZ2 4.15Å; W1070-F1072 HydrophobicContact CB-CE2 3.67Å; W1070-F1072 HydrophobicContact CB-CZ 4Å; W1070-V1099 CarbonylContact O-C 3.48Å; W1070-V1099 WeakPolarHBondContact O-CA 3.32Å; W1070-M1100 HydrophobicContact CE3-CE 4.01Å; W1070-M1100 PolarHBondContact N-O 3.12Å; W1070-M1100 PolarHBondContact O-N 3.14Å; W1070-D1102 HydrophobicContact CH2-CB 4.5Å; W1070-D1102 WeakPolarHBondContact CH2-OD1 3.45Å; W1070-D1102 WeakPolarHBondContact CZ3-OD1 3.31Å |
| 1071 | W | 93.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.5 | 177.7 | -63.5 | 86.4 | 0 | 0 | 0 | 109.8 | L1038 L1060 P1077 L1078 G1082 V1085 L1097 L1098 V1099 | L1038-W1071 HydrophobicContact CD1-CE3 4.29Å; L1038-W1071 HydrophobicContact CD1-CH2 4.34Å; L1038-W1071 HydrophobicContact CD1-CZ3 3.54Å; L1038-W1071 HydrophobicContact CG-CH2 4.02Å; L1038-W1071 HydrophobicContact CG-CZ3 3.68Å; L1060-W1071 HydrophobicContact CB-CH2 4.13Å; L1060-W1071 HydrophobicContact CB-CZ3 4.25Å; W1071-P1077 WeakPolarHBondContact O-CA 3.43Å; W1071-L1078 HydrophobicContact CB-CB 4.14Å; W1071-L1078 HydrophobicContact CB-CD1 3.73Å; W1071-L1078 HydrophobicContact CB-CG 4.21Å; W1071-L1078 PolarHBondContact O-N 2.9Å; W1071-G1082 PolarHBondContact NE1-O 3.47Å; W1071-V1085 HydrophobicContact CD2-CB 4.2Å; W1071-V1085 HydrophobicContact CD2-CG1 3.52Å; W1071-V1085 HydrophobicContact CE3-CG1 3.64Å; W1071-V1085 HydrophobicContact CG-CB 4.32Å; W1071-V1085 HydrophobicContact CG-CG1 4.07Å; W1071-V1085 HydrophobicContact CG-CG2 4.48Å; W1071-V1085 HydrophobicContact CH2-CG1 3.87Å; W1071-V1085 HydrophobicContact CZ2-CG1 3.76Å; W1071-V1085 HydrophobicContact CZ3-CG1 3.79Å; W1071-L1097 HydrophobicContact CE3-CD1 3.97Å; W1071-L1097 HydrophobicContact CE3-CD2 4.25Å; W1071-L1097 HydrophobicContact CE3-CG 4.17Å; W1071-L1097 HydrophobicContact CZ3-CD2 4.03Å; W1071-L1097 HydrophobicContact CZ3-CG 4.35Å; W1071-L1098 CarbonylContact C-O 3.48Å; W1071-L1098 WeakPolarHBondContact CA-O 3.44Å; W1071-V1099 HydrophobicContact CD2-CB 3.87Å; W1071-V1099 HydrophobicContact CD2-CG2 3.8Å; W1071-V1099 HydrophobicContact CE3-CB 3.73Å; W1071-V1099 HydrophobicContact CE3-CG2 4.17Å; W1071-V1099 HydrophobicContact CG-CG2 4.27Å; W1071-V1099 HydrophobicContact CH2-CB 4.26Å; W1071-V1099 HydrophobicContact CH2-CG1 4.49Å; W1071-V1099 HydrophobicContact CH2-CG2 4.39Å; W1071-V1099 HydrophobicContact CZ2-CB 4.38Å; W1071-V1099 HydrophobicContact CZ2-CG2 4.02Å; W1071-V1099 HydrophobicContact CZ3-CB 3.95Å; W1071-V1099 HydrophobicContact CZ3-CG1 4.36Å; W1071-V1099 HydrophobicContact CZ3-CG2 4.47Å |
| 1072 | F | 93.9 | Very high | 84.1 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.6 | 179.4 | -56.4 | -100.9 | 0 | 0 | 0 | 109 | W1070 E1076 P1077 L1097 L1098 M1100 | W1070-F1072 HydrophobicContact CB-CE2 3.67Å; W1070-F1072 HydrophobicContact CB-CZ 4Å; F1072-E1076 CarbonylContact C-O 3.52Å; F1072-E1076 WeakPolarHBondContact CA-O 3.19Å; F1072-P1077 HydrophobicContact CD1-CB 3.98Å; F1072-P1077 HydrophobicContact CE1-CB 3.95Å; F1072-L1097 CarbonylContact O-C 3.5Å; F1072-L1097 WeakPolarHBondContact O-CA 3.1Å; F1072-L1097 WeakPolarHBondContact O-CD1 3.47Å; F1072-L1098 HydrophobicContact CB-CB 4.3Å; F1072-L1098 HydrophobicContact CD2-CD2 3.51Å; F1072-L1098 HydrophobicContact CE2-CD2 4.02Å; F1072-L1098 HydrophobicContact CG-CD2 4.34Å; F1072-L1098 PolarHBondContact N-O 3.48Å; F1072-L1098 PolarHBondContact O-N 3.33Å; F1072-M1100 HydrophobicContact CE2-CB 4.2Å; F1072-M1100 HydrophobicContact CE2-CE 4.37Å; F1072-M1100 HydrophobicContact CZ-CE 4.33Å |
| 1073 | L | 93.2 | Very high | 84.1 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.3 | 173.1 | -172.3 | 71 | 0 | 0 | 0 | 108.7 | G1075 E1076 L1078 L1087 L1089 Y1095 Q1096 L1097 F1111 | L1073-G1075 PolarHBondContact O-N 3.33Å; L1073-E1076 PolarHBondContact N-O 3.26Å; L1073-E1076 PolarHBondContact O-N 2.82Å; L1073-L1078 HydrophobicContact CB-CD2 3.91Å; L1073-L1078 HydrophobicContact CB-CG 4.36Å; L1073-L1087 HydrophobicContact CD1-CD1 3.83Å; L1073-L1087 HydrophobicContact CD2-CD2 4Å; L1073-L1089 HydrophobicContact CD2-CD2 4.04Å; L1073-Y1095 HydrophobicContact CD1-CD1 3.83Å; L1073-Y1095 HydrophobicContact CD2-CD1 4.02Å; L1073-Y1095 HydrophobicContact CD2-CE1 4.11Å; L1073-Y1095 HydrophobicContact CG-CD1 4Å; L1073-Q1096 CarbonylContact C-O 3.54Å; L1073-Q1096 WeakPolarHBondContact CA-O 3.45Å; L1073-L1097 HydrophobicContact CD1-CB 4.35Å; L1073-L1097 HydrophobicContact CD1-CD1 4.24Å; L1073-F1111 HydrophobicContact CD1-CZ 4.26Å |
| 1074 | N | 92.5 | Very high | 84.7 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.5 | -175.3 | -64.9 | -20.4 | 0 | 0 | 0 | 113.8 | E1076 Y1095 Q1096 | N1074-E1076 VanDerWaalsContact C-N 3.3Å; N1074-Y1095 WeakPolarHBondContact ND2-CD1 3.48Å; N1074-Y1095 VanDerWaalsContact OD1-CA 3.26Å; N1074-Y1095 WeakPolarHBondContact OD1-CA 3.26Å; N1074-Q1096 PolarHBondContact N-O 3.19Å; N1074-Q1096 PolarHBondContact OD1-N 3.18Å |
| 1075 | G | 89.3 | Confident | 85.5 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 55% | 0.546 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -13.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1073 | L1073-G1075 PolarHBondContact O-N 3.33Š|
| 1076 | E | 91.3 | Very high | 86.4 | Confident | 142 Ų | 142 | 69 Ų | 69 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.6 | 177.3 | -66.7 | -63.1 | 152.3 | 0 | 0 | 110.8 | F1072 L1073 N1074 | F1072-E1076 CarbonylContact C-O 3.52Å; F1072-E1076 WeakPolarHBondContact CA-O 3.19Å; L1073-E1076 PolarHBondContact N-O 3.26Å; L1073-E1076 PolarHBondContact O-N 2.82Å; N1074-E1076 VanDerWaalsContact C-N 3.3Å |
| 1077 | P | 91.3 | Very high | 87.4 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 57% | 0.571 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.4 | 179.2 | 27.4 | -32.8 | 0 | 0 | 0 | 111.5 | W1071 F1072 | W1071-P1077 WeakPolarHBondContact O-CA 3.43Å; F1072-P1077 HydrophobicContact CD1-CB 3.98Å; F1072-P1077 HydrophobicContact CE1-CB 3.95Å |
| 1078 | L | 90.6 | Very high | 88 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 147.9 | 170.5 | -59 | 178.2 | 0 | 0 | 0 | 110.1 | W1071 L1073 E1080 V1085 L1087 L1097 | W1071-L1078 HydrophobicContact CB-CB 4.14Å; W1071-L1078 HydrophobicContact CB-CD1 3.73Å; W1071-L1078 HydrophobicContact CB-CG 4.21Å; W1071-L1078 PolarHBondContact O-N 2.9Å; L1073-L1078 HydrophobicContact CB-CD2 3.91Å; L1073-L1078 HydrophobicContact CB-CG 4.36Å; L1078-E1080 VanDerWaalsContact C-N 3.28Å; L1078-E1080 PolarHBondContact O-N 3.3Å; L1078-V1085 HydrophobicContact CD1-CG2 3.86Å; L1078-L1087 HydrophobicContact CD1-CD2 3.55Å; L1078-L1087 HydrophobicContact CD1-CG 4.45Å; L1078-L1087 HydrophobicContact CD2-CD2 4.11Å; L1078-L1097 HydrophobicContact CD1-CD1 4.32Å |
| 1079 | T | 82.2 | Confident | 88.3 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 87% | 0.865 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | -27.3 | 178 | 41 | 0 | 0 | 0 | 0 | 113.1 | R1081 | T1079-R1081 PolarHBondContact O-N 3.41Å |
| 1080 | E | 76.7 | Confident | 88.4 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.7 | -179.8 | -69.7 | 179 | -174.2 | 0 | 0 | 110.8 | L1078 V1085 T1086 | L1078-E1080 VanDerWaalsContact C-N 3.28Å; L1078-E1080 PolarHBondContact O-N 3.3Å; E1080-V1085 HydrophobicContact CB-CG2 3.88Å; E1080-V1085 HydrophobicContact CG-CG2 4.46Å; E1080-V1085 WeakPolarHBondContact OE2-CA 3.42Å; E1080-V1085 WeakPolarHBondContact OE2-CG2 3.44Å; E1080-T1086 PolarHBondContact OE2-N 2.95Å |
| 1081 | R | 78.6 | Confident | 88.3 | Confident | 154 Ų | 154 | 71.9 Ų | 71.9 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.1 | 169.8 | -60.9 | -168.2 | -174.5 | -178.6 | 2.6 | 109.7 | E1068 T1079 | E1068-R1081 VanDerWaalsContact CD-CD 3.43Å; E1068-R1081 HydrophobicContact CG-CB 4.42Å; E1068-R1081 WeakPolarHBondContact OE1-CD 3.45Å; E1068-R1081 IonicContact OE1-NH1 3.6Å; E1068-R1081 WeakPolarHBondContact OE2-CD 3.49Å; E1068-R1081 IonicContact OE2-CZ 3.99Å; E1068-R1081 IonicContact OE2-NH1 2.84Å; E1068-R1081 PolarHBondContact OE2-NH1 3.16Å; T1079-R1081 PolarHBondContact O-N 3.41Å |
| 1082 | G | 82 | Confident | 88.1 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 24% | 0.237 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 129.4 | -174.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | R1069 W1071 N1084 | R1069-G1082 WeakPolarHBondContact CB-O 3.43Å; R1069-G1082 PolarHBondContact O-N 3Å; W1071-G1082 PolarHBondContact NE1-O 3.47Å; G1082-N1084 PolarHBondContact O-N 2.94Å |
| 1083 | R | 84.4 | Confident | 88 | Confident | 169 Ų | 169 | 78 Ų | 78 | 64% | 0.638 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -72.9 | -27.8 | -171.3 | -70.4 | -175.8 | 178.6 | -176.7 | -1.5 | 113.6 | Q1061 S1062 | Q1061-R1083 CarbonylContact C-O 3.58Å; Q1061-R1083 VanDerWaalsContact CA-O 3.26Å; Q1061-R1083 WeakPolarHBondContact CA-O 3.47Å; S1062-R1083 PolarHBondContact N-O 3.06Å; S1062-R1083 PolarHBondContact OG-O 3.39Å |
| 1084 | N | 87.8 | Confident | 88 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.4 | -178.4 | -58.4 | -22.3 | 0 | 0 | 0 | 108.9 | L1060 Q1061 G1082 | L1060-N1084 VanDerWaalsContact O-CA 3.31Å; L1060-N1084 WeakPolarHBondContact O-CA 3.47Å; Q1061-N1084 WeakPolarHBondContact CG-OD1 3.44Å; G1082-N1084 PolarHBondContact O-N 2.94Å |
| 1085 | V | 88.3 | Confident | 88 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.4 | 175.3 | 65.8 | 0 | 0 | 0 | 0 | 107.8 | L1060 W1071 L1078 E1080 | L1060-V1085 WeakPolarHBondContact CA-O 3.41Å; L1060-V1085 HydrophobicContact CB-CG1 3.55Å; L1060-V1085 WeakPolarHBondContact CB-O 3.3Å; L1060-V1085 HydrophobicContact CD1-CG1 3.69Å; L1060-V1085 HydrophobicContact CG-CG1 4.27Å; L1060-V1085 PolarHBondContact N-O 3.17Å; L1060-V1085 PolarHBondContact O-N 3.29Å; W1071-V1085 HydrophobicContact CD2-CB 4.2Å; W1071-V1085 HydrophobicContact CD2-CG1 3.52Å; W1071-V1085 HydrophobicContact CE3-CG1 3.64Å; W1071-V1085 HydrophobicContact CG-CB 4.32Å; W1071-V1085 HydrophobicContact CG-CG1 4.07Å; W1071-V1085 HydrophobicContact CG-CG2 4.48Å; W1071-V1085 HydrophobicContact CH2-CG1 3.87Å; W1071-V1085 HydrophobicContact CZ2-CG1 3.76Å; W1071-V1085 HydrophobicContact CZ3-CG1 3.79Å; L1078-V1085 HydrophobicContact CD1-CG2 3.86Å; E1080-V1085 HydrophobicContact CB-CG2 3.88Å; E1080-V1085 HydrophobicContact CG-CG2 4.46Å; E1080-V1085 WeakPolarHBondContact OE2-CA 3.42Å; E1080-V1085 WeakPolarHBondContact OE2-CG2 3.44Å |
| 1086 | T | 90.8 | Very high | 88.3 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.1 | 173.8 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | T1057 E1080 H1088 | T1057-T1086 HydrophobicContact CG2-CG2 3.37Å; E1080-T1086 PolarHBondContact OE2-N 2.95Å; T1086-H1088 PolarHBondContact O-CD2 2.91Å |
| 1087 | L | 89.5 | Confident | 88.4 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.4 | 176.5 | -79.1 | -178.9 | 0 | 0 | 0 | 110.9 | T1057 L1058 L1060 L1073 L1078 L1089 L1097 F1111 | T1057-L1087 WeakPolarHBondContact CA-O 3.39Å; L1058-L1087 HydrophobicContact CB-CB 4.21Å; L1058-L1087 HydrophobicContact CD2-CD1 4.41Å; L1058-L1087 PolarHBondContact N-O 3.09Å; L1058-L1087 PolarHBondContact O-N 3.49Å; L1060-L1087 HydrophobicContact CD1-CB 4.12Å; L1060-L1087 HydrophobicContact CD1-CD1 3.48Å; L1060-L1087 VanDerWaalsContact CD1-CD1 3.48Å; L1060-L1087 HydrophobicContact CD1-CG 3.55Å; L1073-L1087 HydrophobicContact CD1-CD1 3.83Å; L1073-L1087 HydrophobicContact CD2-CD2 4Å; L1078-L1087 HydrophobicContact CD1-CD2 3.55Å; L1078-L1087 HydrophobicContact CD1-CG 4.45Å; L1078-L1087 HydrophobicContact CD2-CD2 4.11Å; L1087-L1089 HydrophobicContact CB-CG 4.41Å; L1087-L1097 HydrophobicContact CD1-CD1 3.92Å; L1087-L1097 HydrophobicContact CD1-CD2 4.01Å; L1087-L1097 HydrophobicContact CD1-CG 4.48Å; L1087-F1111 HydrophobicContact CD1-CZ 4.33Å |
| 1088 | H | 90.1 | Very high | 88.4 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 47% | 0.468 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 109.6 | 171.5 | -64.7 | -90.8 | 0 | 0 | 0 | 108.6 | E1055 T1086 | E1055-H1088 IonicContact OE1-CE1 3.39Å; E1055-H1088 IonicContact OE1-CG 2.65Å; E1055-H1088 IonicContact OE1-ND1 2.73Å; E1055-H1088 PolarHBondContact OE1-ND1 2.81Å; E1055-H1088 IonicContact OE2-ND1 2.73Å; T1086-H1088 PolarHBondContact O-CD2 2.91Å |
| 1089 | L | 89.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.5 | -172.5 | -60.5 | 168.7 | 0 | 0 | 0 | 111.1 | E1055 A1056 L1058 L1073 L1087 Y1095 F1111 M1113 | E1055-L1089 WeakPolarHBondContact CA-O 3.43Å; A1056-L1089 PolarHBondContact N-O 2.81Å; A1056-L1089 PolarHBondContact O-N 3.42Å; L1058-L1089 HydrophobicContact CD2-CD1 4.37Å; L1073-L1089 HydrophobicContact CD2-CD2 4.04Å; L1087-L1089 HydrophobicContact CB-CG 4.41Å; L1089-Y1095 HydrophobicContact CD2-CD1 3.93Å; L1089-Y1095 HydrophobicContact CD2-CE1 3.59Å; L1089-Y1095 HydrophobicContact CD2-CE2 4.45Å; L1089-Y1095 HydrophobicContact CD2-CG 4.48Å; L1089-F1111 HydrophobicContact CD1-CE2 3.47Å; L1089-F1111 VanDerWaalsContact CD1-CE2 3.47Å; L1089-F1111 HydrophobicContact CD1-CZ 3.9Å; L1089-M1113 HydrophobicContact CB-CG 4.39Å |
| 1090 | T | 88.3 | Confident | 88.8 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | trans | -98.3 | -38.8 | 177.4 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | R1049 E1055 M1113 | R1049-T1090 PolarHBondContact NH2-O 3.27Å; E1055-T1090 HydrophobicContact CB-CG2 4.09Å; T1090-M1113 WeakPolarHBondContact O-CE 3.37Å | ||
| 1091 | D | 89 | Confident | 89.3 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -91.6 | 148 | -170.3 | -57.8 | -48.8 | 0 | 0 | 0 | 113 | Y1095 M1113 | D1091-Y1095 WeakPolarHBondContact O-CE2 3.18Å; D1091-Y1095 PolarHBondContact O-OH 2.86Å; D1091-M1113 WeakPolarHBondContact O-CB 3.45Å; D1091-M1113 VanDerWaalsContact O-CG 3.23Å; D1091-M1113 WeakPolarHBondContact O-CG 3.4Å |
| 1092 | K | 90.1 | Very high | 89.3 | Confident | 148 Ų | 148 | 59.1 Ų | 59.1 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | trans | -79.7 | 143.6 | 172.6 | -59.4 | -174.4 | -176.2 | -140.9 | 0 | 109.4 | M1113 Q1114 | K1092-M1113 WeakPolarHBondContact CA-O 3.4Å; K1092-M1113 HydrophobicContact CB-SD 4.26Å; K1092-M1113 HydrophobicContact CG-SD 3.87Å; K1092-Q1114 VanDerWaalsContact CD-OXT 3.29Å; K1092-Q1114 WeakPolarHBondContact CD-OXT 3.47Å; K1092-Q1114 WeakPolarHBondContact CE-OXT 3.44Å; K1092-Q1114 PolarHBondContact NZ-OXT 2.79Å | ||
| 1093 | G | 91.3 | Very high | 88.7 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.1 | -172 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1095 V1112 M1113 | G1093-Y1095 WeakPolarHBondContact O-CD2 3.32Å; G1093-V1112 CarbonylContact O-C 3.48Å; G1093-V1112 WeakPolarHBondContact O-CA 3.3Å; G1093-M1113 PolarHBondContact N-O 3.32Å; G1093-M1113 VanDerWaalsContact N-O 3.1Å; G1093-M1113 PolarHBondContact O-N 2.99Å |
| 1094 | D | 93.7 | Very high | 88.3 | Confident | 128 Ų | 128 | 55 Ų | 55 | 68% | 0.684 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.4 | 176.8 | -60.9 | -38.3 | 0 | 0 | 0 | 110.3 | V1112 | D1094-V1112 WeakPolarHBondContact OD1-CG2 3.28Å |
| 1095 | Y | 93.5 | Very high | 87.8 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.1 | 177.6 | -73.8 | -90.9 | 0 | 0 | 0 | 110.1 | L1073 N1074 L1089 D1091 G1093 K1110 F1111 M1113 | L1073-Y1095 HydrophobicContact CD1-CD1 3.83Å; L1073-Y1095 HydrophobicContact CD2-CD1 4.02Å; L1073-Y1095 HydrophobicContact CD2-CE1 4.11Å; L1073-Y1095 HydrophobicContact CG-CD1 4Å; N1074-Y1095 WeakPolarHBondContact ND2-CD1 3.48Å; N1074-Y1095 VanDerWaalsContact OD1-CA 3.26Å; N1074-Y1095 WeakPolarHBondContact OD1-CA 3.26Å; L1089-Y1095 HydrophobicContact CD2-CD1 3.93Å; L1089-Y1095 HydrophobicContact CD2-CE1 3.59Å; L1089-Y1095 HydrophobicContact CD2-CE2 4.45Å; L1089-Y1095 HydrophobicContact CD2-CG 4.48Å; D1091-Y1095 WeakPolarHBondContact O-CE2 3.18Å; D1091-Y1095 PolarHBondContact O-OH 2.86Å; G1093-Y1095 WeakPolarHBondContact O-CD2 3.32Å; Y1095-K1110 CarbonylContact O-C 3.55Å; Y1095-K1110 WeakPolarHBondContact O-CA 3.43Å; Y1095-F1111 HydrophobicContact CD2-CD2 4.47Å; Y1095-F1111 AromaticContact CD2-CE2 3.94Å; Y1095-F1111 HydrophobicContact CD2-CE2 3.94Å; Y1095-F1111 HydrophobicContact CG-CD2 4.45Å; Y1095-F1111 AromaticContact CG-CE2 3.73Å; Y1095-F1111 HydrophobicContact CG-CE2 3.73Å; Y1095-F1111 AromaticContact CG-CZ 3.95Å; Y1095-F1111 HydrophobicContact CG-CZ 3.95Å; Y1095-F1111 PolarHBondContact N-O 3.29Å; Y1095-F1111 PolarHBondContact O-N 3.31Å; Y1095-M1113 HydrophobicContact CD2-CB 3.92Å; Y1095-M1113 HydrophobicContact CE2-CB 3.59Å; Y1095-M1113 HydrophobicContact CE2-CG 4.34Å |
| 1096 | Q | 94.9 | Very high | 87.7 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.4 | 169.6 | -179 | -179.7 | 41.2 | 0 | 0 | 108.5 | L1073 N1074 T1108 K1110 | L1073-Q1096 CarbonylContact C-O 3.54Å; L1073-Q1096 WeakPolarHBondContact CA-O 3.45Å; N1074-Q1096 PolarHBondContact N-O 3.19Å; N1074-Q1096 PolarHBondContact OD1-N 3.18Å; Q1096-T1108 HydrophobicContact CG-CG2 3.77Å; Q1096-K1110 HydrophobicContact CB-CG 4.34Å; Q1096-K1110 HydrophobicContact CG-CG 4.22Å |
| 1097 | L | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.2 | 174.1 | -179.5 | 67.3 | 0 | 0 | 0 | 109.3 | L1038 V1041 L1060 W1071 F1072 L1073 L1078 L1087 T1108 V1109 F1111 | L1038-L1097 HydrophobicContact CD1-CD2 3.8Å; L1038-L1097 HydrophobicContact CD1-CG 3.91Å; L1038-L1097 HydrophobicContact CD2-CD2 4.2Å; L1038-L1097 HydrophobicContact CG-CD2 4.49Å; V1041-L1097 HydrophobicContact CG1-CD2 4.07Å; L1060-L1097 HydrophobicContact CD1-CD2 3.38Å; L1060-L1097 HydrophobicContact CD2-CD2 3.87Å; L1060-L1097 HydrophobicContact CG-CD2 4.22Å; W1071-L1097 HydrophobicContact CE3-CD1 3.97Å; W1071-L1097 HydrophobicContact CE3-CD2 4.25Å; W1071-L1097 HydrophobicContact CE3-CG 4.17Å; W1071-L1097 HydrophobicContact CZ3-CD2 4.03Å; W1071-L1097 HydrophobicContact CZ3-CG 4.35Å; F1072-L1097 CarbonylContact O-C 3.5Å; F1072-L1097 WeakPolarHBondContact O-CA 3.1Å; F1072-L1097 WeakPolarHBondContact O-CD1 3.47Å; L1073-L1097 HydrophobicContact CD1-CB 4.35Å; L1073-L1097 HydrophobicContact CD1-CD1 4.24Å; L1078-L1097 HydrophobicContact CD1-CD1 4.32Å; L1087-L1097 HydrophobicContact CD1-CD1 3.92Å; L1087-L1097 HydrophobicContact CD1-CD2 4.01Å; L1087-L1097 HydrophobicContact CD1-CG 4.48Å; L1097-T1108 CarbonylContact O-C 3.57Å; L1097-T1108 WeakPolarHBondContact O-CA 3.4Å; L1097-V1109 PolarHBondContact N-O 2.88Å; L1097-V1109 PolarHBondContact O-N 3.34Å; L1097-F1111 HydrophobicContact CB-CE1 3.97Å |
| 1098 | L | 92.6 | Very high | 87.5 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.6 | 176.3 | -178.5 | 153.2 | 0 | 0 | 0 | 109 | W1071 F1072 M1100 I1106 A1107 T1108 | W1071-L1098 CarbonylContact C-O 3.48Å; W1071-L1098 WeakPolarHBondContact CA-O 3.44Å; F1072-L1098 HydrophobicContact CB-CB 4.3Å; F1072-L1098 HydrophobicContact CD2-CD2 3.51Å; F1072-L1098 HydrophobicContact CE2-CD2 4.02Å; F1072-L1098 HydrophobicContact CG-CD2 4.34Å; F1072-L1098 PolarHBondContact N-O 3.48Å; F1072-L1098 PolarHBondContact O-N 3.33Å; L1098-M1100 HydrophobicContact CD2-CB 4.06Å; L1098-I1106 HydrophobicContact CD2-CG2 4.36Å; L1098-A1107 CarbonylContact C-O 3.54Å; L1098-A1107 WeakPolarHBondContact CA-O 3.43Å; L1098-T1108 HydrophobicContact CB-CG2 4.37Å; L1098-T1108 WeakPolarHBondContact CD1-OG1 3.16Å |
| 1099 | V | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.8 | 165.8 | 62.3 | 0 | 0 | 0 | 0 | 108.7 | L1036 L1038 R1069 W1070 W1071 I1106 A1107 | L1036-V1099 HydrophobicContact CD1-CG1 4.46Å; L1036-V1099 HydrophobicContact CD2-CG1 3.89Å; L1036-V1099 HydrophobicContact CD2-CG2 4.36Å; L1036-V1099 VanDerWaalsContact CD2-O 3.29Å; L1036-V1099 WeakPolarHBondContact CD2-O 3.35Å; L1036-V1099 HydrophobicContact CG-CG1 4.06Å; L1038-V1099 HydrophobicContact CB-CG1 4.1Å; L1038-V1099 HydrophobicContact CD1-CB 4.48Å; L1038-V1099 HydrophobicContact CD1-CG1 3.99Å; L1038-V1099 HydrophobicContact CG-CG1 4.36Å; R1069-V1099 HydrophobicContact CB-CG2 4.07Å; R1069-V1099 HydrophobicContact CG-CG2 4.45Å; W1070-V1099 CarbonylContact O-C 3.48Å; W1070-V1099 WeakPolarHBondContact O-CA 3.32Å; W1071-V1099 HydrophobicContact CD2-CB 3.87Å; W1071-V1099 HydrophobicContact CD2-CG2 3.8Å; W1071-V1099 HydrophobicContact CE3-CB 3.73Å; W1071-V1099 HydrophobicContact CE3-CG2 4.17Å; W1071-V1099 HydrophobicContact CG-CG2 4.27Å; W1071-V1099 HydrophobicContact CH2-CB 4.26Å; W1071-V1099 HydrophobicContact CH2-CG1 4.49Å; W1071-V1099 HydrophobicContact CH2-CG2 4.39Å; W1071-V1099 HydrophobicContact CZ2-CB 4.38Å; W1071-V1099 HydrophobicContact CZ2-CG2 4.02Å; W1071-V1099 HydrophobicContact CZ3-CB 3.95Å; W1071-V1099 HydrophobicContact CZ3-CG1 4.36Å; W1071-V1099 HydrophobicContact CZ3-CG2 4.47Å; V1099-I1106 CarbonylContact O-C 3.5Å; V1099-I1106 WeakPolarHBondContact O-CA 3.43Å; V1099-A1107 HydrophobicContact CG1-CB 3.79Å; V1099-A1107 PolarHBondContact N-O 2.96Å; V1099-A1107 PolarHBondContact O-N 3.33Å |
| 1100 | M | 90.1 | Very high | 87.4 | Confident | 61 Ų | 61 | 59 Ų | 59 | 30% | 0.3 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.9 | 176.9 | -173.6 | 173.9 | 69.3 | 0 | 0 | 109.8 | R1069 W1070 F1072 L1098 Q1105 I1106 | R1069-M1100 WeakPolarHBondContact CA-O 3.3Å; W1070-M1100 HydrophobicContact CE3-CE 4.01Å; W1070-M1100 PolarHBondContact N-O 3.12Å; W1070-M1100 PolarHBondContact O-N 3.14Å; F1072-M1100 HydrophobicContact CE2-CB 4.2Å; F1072-M1100 HydrophobicContact CE2-CE 4.37Å; F1072-M1100 HydrophobicContact CZ-CE 4.33Å; L1098-M1100 HydrophobicContact CD2-CB 4.06Å; M1100-Q1105 VanDerWaalsContact CA-O 3.28Å; M1100-Q1105 WeakPolarHBondContact CA-O 3.39Å; M1100-I1106 HydrophobicContact CB-CG2 4.06Å; M1100-I1106 HydrophobicContact CG-CG2 3.83Å; M1100-I1106 HydrophobicContact SD-CG2 4.27Å |
| 1101 | D | 86.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 173.4 | 177.6 | 78.5 | -3.4 | 0 | 0 | 0 | 113.9 | L1036 G1065 A1066 E1068 V1103 G1104 Q1105 | L1036-D1101 HydrophobicContact CD2-CB 4.09Å; G1065-D1101 WeakPolarHBondContact CA-OD2 3.4Å; A1066-D1101 PolarHBondContact N-OD2 2.94Å; A1066-D1101 WeakPolarHBondContact O-CB 3.47Å; E1068-D1101 WeakPolarHBondContact O-CA 3.4Å; D1101-V1103 VanDerWaalsContact CG-CG2 3.46Å; D1101-V1103 PolarHBondContact O-N 3.4Å; D1101-V1103 WeakPolarHBondContact OD1-CG2 3.32Å; D1101-V1103 PolarHBondContact OD1-N 3.05Å; D1101-V1103 WeakPolarHBondContact OD2-CG2 3.44Å; D1101-G1104 PolarHBondContact O-N 3.45Å; D1101-G1104 PolarHBondContact OD1-N 2.95Å; D1101-G1104 VanDerWaalsContact OD1-N 3.12Å; D1101-Q1105 PolarHBondContact N-O 3.07Å; D1101-Q1105 WeakPolarHBondContact OD1-CA 3.26Å; D1101-Q1105 WeakPolarHBondContact OD1-CB 3.27Å; D1101-Q1105 PolarHBondContact OD1-N 3.28Å |
| 1102 | D | 78.5 | Confident | 87.7 | Confident | 90 Ų | 90 | 53 Ų | 53 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.2 | -174.8 | -76.6 | 3.8 | 0 | 0 | 0 | 114.1 | A1066 G1067 E1068 W1070 | A1066-D1102 PolarHBondContact O-N 2.94Å; G1067-D1102 WeakPolarHBondContact CA-OD2 3.19Å; E1068-D1102 WeakPolarHBondContact CA-OD1 3.49Å; E1068-D1102 WeakPolarHBondContact CB-OD1 3.5Å; E1068-D1102 PolarHBondContact N-OD1 3.44Å; E1068-D1102 PolarHBondContact N-OD2 3.3Å; W1070-D1102 HydrophobicContact CH2-CB 4.5Å; W1070-D1102 WeakPolarHBondContact CH2-OD1 3.45Å; W1070-D1102 WeakPolarHBondContact CZ3-OD1 3.31Å |
| 1103 | V | 69.9 | Low | 87.6 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 6.3 | -177.8 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | Q1033 A1066 D1101 Q1105 | Q1033-V1103 VanDerWaalsContact OE1-CG2 3.29Å; A1066-V1103 HydrophobicContact CB-CG1 4.03Å; A1066-V1103 HydrophobicContact CB-CG2 4.02Å; D1101-V1103 VanDerWaalsContact CG-CG2 3.46Å; D1101-V1103 PolarHBondContact O-N 3.4Å; D1101-V1103 WeakPolarHBondContact OD1-CG2 3.32Å; D1101-V1103 PolarHBondContact OD1-N 3.05Å; D1101-V1103 WeakPolarHBondContact OD2-CG2 3.44Å; V1103-Q1105 HydrophobicContact CG2-CG 4.06Å |
| 1104 | G | 76.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 52% | 0.515 | 27% | 0.267 | S | S | . | . | trans | 81.3 | 12.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1101 | D1101-G1104 PolarHBondContact O-N 3.45Å; D1101-G1104 PolarHBondContact OD1-N 2.95Å; D1101-G1104 VanDerWaalsContact OD1-N 3.12Å | ||
| 1105 | Q | 76.4 | Confident | 86.9 | Confident | 50 Ų | 50 | 45.6 Ų | 45.6 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | trans | -69.2 | 140.3 | 167.2 | -61.7 | -172.9 | 14.2 | 0 | 0 | 109.5 | L1034 P1035 L1036 M1100 D1101 V1103 | L1034-Q1105 PolarHBondContact O-OE1 3.26Å; P1035-Q1105 VanDerWaalsContact CA-OE1 3.29Å; L1036-Q1105 HydrophobicContact CB-CB 3.91Å; L1036-Q1105 HydrophobicContact CD2-CB 4.44Å; L1036-Q1105 VanDerWaalsContact CD2-O 3.26Å; L1036-Q1105 WeakPolarHBondContact CD2-O 3.43Å; M1100-Q1105 VanDerWaalsContact CA-O 3.28Å; M1100-Q1105 WeakPolarHBondContact CA-O 3.39Å; D1101-Q1105 PolarHBondContact N-O 3.07Å; D1101-Q1105 WeakPolarHBondContact OD1-CA 3.26Å; D1101-Q1105 WeakPolarHBondContact OD1-CB 3.27Å; D1101-Q1105 PolarHBondContact OD1-N 3.28Å; V1103-Q1105 HydrophobicContact CG2-CG 4.06Å | ||
| 1106 | I | 86.9 | Confident | 86.6 | Confident | 103 Ų | 103 | 46.6 Ų | 46.6 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.4 | 179 | 59.2 | 171.9 | 0 | 0 | 0 | 110.4 | L1098 V1099 M1100 | L1098-I1106 HydrophobicContact CD2-CG2 4.36Å; V1099-I1106 CarbonylContact O-C 3.5Å; V1099-I1106 WeakPolarHBondContact O-CA 3.43Å; M1100-I1106 HydrophobicContact CB-CG2 4.06Å; M1100-I1106 HydrophobicContact CG-CG2 3.83Å; M1100-I1106 HydrophobicContact SD-CG2 4.27Å |
| 1107 | A | 84.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L1036 L1038 L1098 V1099 | L1036-A1107 HydrophobicContact CG-CB 4.19Å; L1036-A1107 WeakPolarHBondContact O-CB 3.28Å; L1038-A1107 HydrophobicContact CB-CB 4.08Å; L1098-A1107 CarbonylContact C-O 3.54Å; L1098-A1107 WeakPolarHBondContact CA-O 3.43Å; V1099-A1107 HydrophobicContact CG1-CB 3.79Å; V1099-A1107 PolarHBondContact N-O 2.96Å; V1099-A1107 PolarHBondContact O-N 3.33Å |
| 1108 | T | 90.2 | Very high | 85.7 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 36% | 0.356 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.6 | -174.1 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | Q1096 L1097 L1098 | Q1096-T1108 HydrophobicContact CG-CG2 3.77Å; L1097-T1108 CarbonylContact O-C 3.57Å; L1097-T1108 WeakPolarHBondContact O-CA 3.4Å; L1098-T1108 HydrophobicContact CB-CG2 4.37Å; L1098-T1108 WeakPolarHBondContact CD1-OG1 3.16Å |
| 1109 | V | 87.5 | Confident | 85.3 | Confident | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.8 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | L1038 V1041 R1042 D1043 L1097 F1111 | L1038-V1109 HydrophobicContact CB-CG2 4.47Å; L1038-V1109 HydrophobicContact CD1-CG2 4.34Å; L1038-V1109 HydrophobicContact CD2-CB 4.39Å; L1038-V1109 HydrophobicContact CD2-CG2 3.91Å; L1038-V1109 HydrophobicContact CG-CG2 4.48Å; V1041-V1109 HydrophobicContact CG1-CB 4.34Å; V1041-V1109 HydrophobicContact CG1-CG1 3.79Å; R1042-V1109 WeakPolarHBondContact O-CG1 3.33Å; D1043-V1109 HydrophobicContact CB-CG1 4.25Å; L1097-V1109 PolarHBondContact N-O 2.88Å; L1097-V1109 PolarHBondContact O-N 3.34Å; V1109-F1111 HydrophobicContact CG1-CD1 4.42Å |
| 1110 | K | 91.8 | Very high | 84.9 | Confident | 122 Ų | 122 | 51.2 Ų | 51.2 | 53% | 0.53 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140 | 171.2 | -60.9 | -177.1 | -178.9 | -176.7 | 0 | 110.1 | D1043 G1044 Y1095 Q1096 | D1043-K1110 CarbonylContact C-O 3.48Å; D1043-K1110 VanDerWaalsContact CA-O 3.29Å; D1043-K1110 WeakPolarHBondContact CA-O 3.29Å; D1043-K1110 WeakPolarHBondContact OD1-CA 3.21Å; D1043-K1110 WeakPolarHBondContact OD1-CB 3.38Å; D1043-K1110 PolarHBondContact OD1-N 3.13Å; G1044-K1110 PolarHBondContact N-O 3.27Å; Y1095-K1110 CarbonylContact O-C 3.55Å; Y1095-K1110 WeakPolarHBondContact O-CA 3.43Å; Q1096-K1110 HydrophobicContact CB-CG 4.34Å; Q1096-K1110 HydrophobicContact CG-CG 4.22Å |
| 1111 | F | 90.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 163.6 | 177.7 | 61.5 | -91.4 | 0 | 0 | 0 | 110.7 | V1041 A1045 I1047 L1058 L1073 L1087 L1089 Y1095 L1097 V1109 | V1041-F1111 HydrophobicContact CG1-CD1 4.2Å; V1041-F1111 HydrophobicContact CG1-CE1 4.35Å; V1041-F1111 HydrophobicContact CG2-CB 3.94Å; V1041-F1111 HydrophobicContact CG2-CD1 3.7Å; V1041-F1111 HydrophobicContact CG2-CD2 4.42Å; V1041-F1111 HydrophobicContact CG2-CE1 4.3Å; V1041-F1111 HydrophobicContact CG2-CG 3.77Å; A1045-F1111 HydrophobicContact CB-CB 3.93Å; A1045-F1111 CarbonylContact O-C 3.48Å; A1045-F1111 WeakPolarHBondContact O-CA 3.09Å; A1045-F1111 WeakPolarHBondContact O-CB 3.45Å; I1047-F1111 HydrophobicContact CG1-CD2 3.94Å; I1047-F1111 HydrophobicContact CG1-CE2 4.5Å; L1058-F1111 HydrophobicContact CD2-CE2 4.5Å; L1058-F1111 HydrophobicContact CD2-CZ 4.23Å; L1073-F1111 HydrophobicContact CD1-CZ 4.26Å; L1087-F1111 HydrophobicContact CD1-CZ 4.33Å; L1089-F1111 HydrophobicContact CD1-CE2 3.47Å; L1089-F1111 VanDerWaalsContact CD1-CE2 3.47Å; L1089-F1111 HydrophobicContact CD1-CZ 3.9Å; Y1095-F1111 HydrophobicContact CD2-CD2 4.47Å; Y1095-F1111 AromaticContact CD2-CE2 3.94Å; Y1095-F1111 HydrophobicContact CD2-CE2 3.94Å; Y1095-F1111 HydrophobicContact CG-CD2 4.45Å; Y1095-F1111 AromaticContact CG-CE2 3.73Å; Y1095-F1111 HydrophobicContact CG-CE2 3.73Å; Y1095-F1111 AromaticContact CG-CZ 3.95Å; Y1095-F1111 HydrophobicContact CG-CZ 3.95Å; Y1095-F1111 PolarHBondContact N-O 3.29Å; Y1095-F1111 PolarHBondContact O-N 3.31Å; L1097-F1111 HydrophobicContact CB-CE1 3.97Å; V1109-F1111 HydrophobicContact CG1-CD1 4.42Å |
| 1112 | V | 91.8 | Very high | 84.4 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.2 | -177.9 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | A1045 I1046 I1047 G1093 D1094 | A1045-V1112 PolarHBondContact O-N 3.43Å; I1046-V1112 CarbonylContact C-O 3.5Å; I1046-V1112 WeakPolarHBondContact CA-O 3.37Å; I1047-V1112 PolarHBondContact N-O 3.1Å; G1093-V1112 CarbonylContact O-C 3.48Å; G1093-V1112 WeakPolarHBondContact O-CA 3.3Å; D1094-V1112 WeakPolarHBondContact OD1-CG2 3.28Å |
| 1113 | M | 88.2 | Confident | 84.9 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.3 | 172.2 | -169.2 | -68.3 | -166.4 | 0 | 0 | 109.4 | I1047 R1049 L1089 T1090 D1091 K1092 G1093 Y1095 | I1047-M1113 WeakPolarHBondContact O-CA 3.35Å; R1049-M1113 HydrophobicContact CG-CE 3.8Å; L1089-M1113 HydrophobicContact CB-CG 4.39Å; T1090-M1113 WeakPolarHBondContact O-CE 3.37Å; D1091-M1113 WeakPolarHBondContact O-CB 3.45Å; D1091-M1113 VanDerWaalsContact O-CG 3.23Å; D1091-M1113 WeakPolarHBondContact O-CG 3.4Å; K1092-M1113 WeakPolarHBondContact CA-O 3.4Å; K1092-M1113 HydrophobicContact CB-SD 4.26Å; K1092-M1113 HydrophobicContact CG-SD 3.87Å; G1093-M1113 PolarHBondContact N-O 3.32Å; G1093-M1113 VanDerWaalsContact N-O 3.1Å; G1093-M1113 PolarHBondContact O-N 2.99Å; Y1095-M1113 HydrophobicContact CD2-CB 3.92Å; Y1095-M1113 HydrophobicContact CE2-CB 3.59Å; Y1095-M1113 HydrophobicContact CE2-CG 4.34Å |
| 1114 | Q | 84.2 | Confident | 86.3 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | trans | -113.6 | 0 | -177.2 | -82.8 | -170.6 | -2.7 | 0 | 0 | 115.1 | I1046 I1047 K1048 K1092 | I1046-Q1114 HydrophobicContact CG2-CB 4.08Å; I1046-Q1114 HydrophobicContact CG2-CG 3.68Å; I1047-Q1114 PolarHBondContact O-N 3.49Å; K1048-Q1114 HydrophobicContact CG-CB 4.09Å; K1092-Q1114 VanDerWaalsContact CD-OXT 3.29Å; K1092-Q1114 WeakPolarHBondContact CD-OXT 3.47Å; K1092-Q1114 WeakPolarHBondContact CE-OXT 3.44Å; K1092-Q1114 PolarHBondContact NZ-OXT 2.79Å |
Retrieved 1,114 of 1,114 residues in 658.4 ms
(Link to these results)