| 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 | V | 76.8 | Confident | 91.8 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | 0 | -63.4 | 0 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | F3 L4 T27 Q29 A32 G254 | V1-F3 VanDerWaalsContact C-N 3.29Å; V1-F3 PolarHBondContact O-N 3.42Å; V1-F3 VanDerWaalsContact O-N 3.13Å; V1-L4 HydrophobicContact CB-CD1 4.37Å; V1-L4 HydrophobicContact CG1-CD1 4.4Å; V1-L4 WeakPolarHBondContact O-CB 3.29Å; V1-L4 VanDerWaalsContact O-CG 3.31Å; V1-L4 WeakPolarHBondContact O-CG 3.47Å; V1-L4 PolarHBondContact O-N 3.46Å; V1-T27 WeakPolarHBondContact CG1-OG1 3.07Å; V1-Q29 HydrophobicContact CG1-CB 4.34Å; V1-A32 HydrophobicContact CB-CB 4.44Å; V1-A32 HydrophobicContact CG1-CB 4.36Å; V1-G254 PolarHBondContact N-O 2.84Å | |||
| 2 | A | 87.9 | Confident | 92.3 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 74% | 0.744 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -41.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L4 | A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.43Å |
| 3 | F | 88.8 | Confident | 92.6 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.8 | 178.7 | -50.3 | -68.4 | 0 | 0 | 0 | 114.9 | V1 K5 L6 F7 V86 D87 | V1-F3 VanDerWaalsContact C-N 3.29Å; V1-F3 PolarHBondContact O-N 3.42Å; V1-F3 VanDerWaalsContact O-N 3.13Å; F3-K5 PolarHBondContact O-N 3.13Å; F3-K5 VanDerWaalsContact O-N 3.08Å; F3-L6 PolarHBondContact O-N 3.28Å; F3-F7 WeakPolarHBondContact O-CB 3.37Å; F3-F7 PolarHBondContact O-N 3.16Å; F3-F7 VanDerWaalsContact O-N 3.08Å; F3-V86 WeakPolarHBondContact CB-O 3.31Å; F3-V86 HydrophobicContact CD2-CG1 4.4Å; F3-D87 HydrophobicContact CD2-CB 3.93Å; F3-D87 HydrophobicContact CE2-CB 3.95Å; F3-D87 HydrophobicContact CG-CB 4.25Å; F3-D87 HydrophobicContact CZ-CB 4.29Å |
| 4 | L | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56 | -33.9 | -171.5 | -73.7 | 169.8 | 0 | 0 | 0 | 113.5 | V1 A2 L8 V25 V33 P34 V86 L256 | V1-L4 HydrophobicContact CB-CD1 4.37Å; V1-L4 HydrophobicContact CG1-CD1 4.4Å; V1-L4 WeakPolarHBondContact O-CB 3.29Å; V1-L4 VanDerWaalsContact O-CG 3.31Å; V1-L4 WeakPolarHBondContact O-CG 3.47Å; V1-L4 PolarHBondContact O-N 3.46Å; A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.43Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.03Å; L4-V25 HydrophobicContact CD1-CG1 3.85Å; L4-V25 HydrophobicContact CD2-CG1 3.88Å; L4-V33 HydrophobicContact CD1-CG2 4.27Å; L4-P34 HydrophobicContact CB-CG 3.84Å; L4-V86 HydrophobicContact CD2-CG2 3.54Å; L4-V86 HydrophobicContact CG-CG2 4.14Å; L4-L256 HydrophobicContact CD2-CB 4.21Å; L4-L256 HydrophobicContact CD2-CD2 4.17Å |
| 5 | K | 93.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 49.1 Ų | 49.1 | 47% | 0.47 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65 | -57 | -177.4 | -176.9 | -179.6 | -177 | -67.4 | 0 | 110.6 | F3 F7 L8 E9 P34 | F3-K5 PolarHBondContact O-N 3.13Å; F3-K5 VanDerWaalsContact O-N 3.08Å; K5-F7 VanDerWaalsContact C-N 3.32Å; K5-F7 PolarHBondContact O-N 3.26Å; K5-L8 PolarHBondContact O-N 2.76Å; K5-E9 WeakPolarHBondContact CE-OE1 3.41Å; K5-E9 HydrophobicContact CG-CG 4.45Å; K5-E9 WeakPolarHBondContact CG-OE2 3.39Å; K5-E9 IonicContact NZ-OE1 2.73Å; K5-E9 PolarHBondContact NZ-OE1 3.34Å; K5-E9 IonicContact NZ-OE2 3.95Å; K5-E9 PolarHBondContact NZ-OE2 3.44Å; K5-E9 VanDerWaalsContact O-CB 3.25Å; K5-E9 WeakPolarHBondContact O-CB 3.33Å; K5-E9 WeakPolarHBondContact O-CG 3.39Å; K5-E9 PolarHBondContact O-N 3.41Å; K5-P34 HydrophobicContact CB-CB 4.19Å; K5-P34 HydrophobicContact CB-CG 4.06Å |
| 6 | L | 92.4 | Very high | 93 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 47% | 0.466 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -41.9 | 179.3 | 179.3 | 61.1 | 0 | 0 | 0 | 111.6 | F3 E9 T10 E89 | F3-L6 PolarHBondContact O-N 3.28Å; L6-E9 PolarHBondContact O-N 3.34Å; L6-T10 HydrophobicContact CD1-CG2 4.15Å; L6-T10 WeakPolarHBondContact O-CB 3.38Å; L6-T10 WeakPolarHBondContact O-CG2 3.18Å; L6-T10 PolarHBondContact O-N 3.41Å; L6-T10 PolarHBondContact O-OG1 3.48Å; L6-E89 HydrophobicContact CD2-CB 4.34Å; L6-E89 HydrophobicContact CG-CB 4.15Å |
| 7 | F | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | -179.7 | -171.6 | -134 | 0 | 0 | 0 | 112.6 | F3 K5 T10 A11 V84 D85 V86 M88 F90 L256 F258 | F3-F7 WeakPolarHBondContact O-CB 3.37Å; F3-F7 PolarHBondContact O-N 3.16Å; F3-F7 VanDerWaalsContact O-N 3.08Å; K5-F7 VanDerWaalsContact C-N 3.32Å; K5-F7 PolarHBondContact O-N 3.26Å; F7-T10 PolarHBondContact O-OG1 2.83Å; F7-T10 VanDerWaalsContact O-OG1 3.14Å; F7-A11 VanDerWaalsContact O-CB 3.29Å; F7-A11 WeakPolarHBondContact O-CB 3.18Å; F7-A11 PolarHBondContact O-N 3.3Å; F7-V84 HydrophobicContact CE2-CG1 4.23Å; F7-V84 HydrophobicContact CZ-CB 4.17Å; F7-V84 HydrophobicContact CZ-CG1 4.12Å; F7-D85 WeakPolarHBondContact CE2-O 3.22Å; F7-D85 WeakPolarHBondContact CZ-O 3.17Å; F7-V86 HydrophobicContact CD1-CB 4.38Å; F7-V86 HydrophobicContact CD1-CG2 3.68Å; F7-V86 HydrophobicContact CE1-CB 4.14Å; F7-V86 HydrophobicContact CE1-CG2 3.85Å; F7-M88 HydrophobicContact CD2-CB 4.48Å; F7-M88 VanDerWaalsContact CD2-O 3.24Å; F7-M88 WeakPolarHBondContact CD2-O 3.43Å; F7-M88 HydrophobicContact CE2-CB 4.11Å; F7-F90 HydrophobicContact CD2-CD2 4.4Å; F7-F90 AromaticContact CD2-CE2 3.95Å; F7-F90 HydrophobicContact CD2-CE2 3.95Å; F7-F90 AromaticContact CE2-CE2 3.79Å; F7-F90 HydrophobicContact CE2-CE2 3.79Å; F7-F90 HydrophobicContact CE2-CZ 4.43Å; F7-L256 HydrophobicContact CD1-CD2 3.72Å; F7-L256 HydrophobicContact CE1-CB 4.2Å; F7-L256 HydrophobicContact CE1-CD2 3.7Å; F7-L256 HydrophobicContact CE1-CG 4.03Å; F7-F258 AromaticContact CD1-CZ 3.98Å; F7-F258 HydrophobicContact CD1-CZ 3.98Å; F7-F258 HydrophobicContact CD2-CZ 4.5Å; F7-F258 AromaticContact CE1-CE2 3.49Å; F7-F258 HydrophobicContact CE1-CE2 3.49Å; F7-F258 VanDerWaalsContact CE1-CE2 3.49Å; F7-F258 AromaticContact CE1-CZ 3.36Å; F7-F258 HydrophobicContact CE1-CZ 3.36Å; F7-F258 HydrophobicContact CE2-CE2 4.23Å; F7-F258 AromaticContact CE2-CZ 3.96Å; F7-F258 HydrophobicContact CE2-CZ 3.96Å; F7-F258 AromaticContact CZ-CE2 3.34Å; F7-F258 HydrophobicContact CZ-CE2 3.34Å; F7-F258 AromaticContact CZ-CZ 3.39Å; F7-F258 HydrophobicContact CZ-CZ 3.39Å |
| 8 | L | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.7 | -41.9 | 176 | -70.4 | 168 | 0 | 0 | 0 | 112.2 | L4 K5 T10 A11 E12 Y23 P34 V36 L44 L256 | L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.03Å; K5-L8 PolarHBondContact O-N 2.76Å; L8-T10 PolarHBondContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 2.83Å; L8-E12 WeakPolarHBondContact O-CG 3.4Å; L8-E12 PolarHBondContact O-N 3.05Å; L8-Y23 HydrophobicContact CD2-CD1 3.83Å; L8-Y23 HydrophobicContact CD2-CD2 4.37Å; L8-Y23 HydrophobicContact CD2-CE1 4.12Å; L8-Y23 HydrophobicContact CD2-CG 3.95Å; L8-P34 HydrophobicContact CD1-CG 4.43Å; L8-V36 HydrophobicContact CB-CB 4.32Å; L8-V36 HydrophobicContact CB-CG1 4.19Å; L8-V36 HydrophobicContact CB-CG2 4.01Å; L8-V36 HydrophobicContact CD1-CG2 4.24Å; L8-L44 HydrophobicContact CD1-CD1 3.69Å; L8-L44 HydrophobicContact CD2-CD1 3.94Å; L8-L44 HydrophobicContact CG-CD1 4.5Å; L8-L256 HydrophobicContact CD2-CD2 3.73Å; L8-L256 HydrophobicContact CG-CD2 4.25Å |
| 9 | E | 97.3 | Very high | 92.8 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -16.6 | 178.1 | -73.1 | 174.5 | 165.2 | 0 | 0 | 113.9 | K5 L6 K13 V36 | K5-E9 WeakPolarHBondContact CE-OE1 3.41Å; K5-E9 HydrophobicContact CG-CG 4.45Å; K5-E9 WeakPolarHBondContact CG-OE2 3.39Å; K5-E9 IonicContact NZ-OE1 2.73Å; K5-E9 PolarHBondContact NZ-OE1 3.34Å; K5-E9 IonicContact NZ-OE2 3.95Å; K5-E9 PolarHBondContact NZ-OE2 3.44Å; K5-E9 VanDerWaalsContact O-CB 3.25Å; K5-E9 WeakPolarHBondContact O-CB 3.33Å; K5-E9 WeakPolarHBondContact O-CG 3.39Å; K5-E9 PolarHBondContact O-N 3.41Å; L6-E9 PolarHBondContact O-N 3.34Å; E9-K13 WeakPolarHBondContact O-CD 3.39Å; E9-K13 WeakPolarHBondContact O-CE 3.29Å; E9-V36 HydrophobicContact CG-CG1 3.77Å; E9-V36 HydrophobicContact CG-CG2 4.24Å |
| 10 | T | 95.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -95.9 | -37.3 | 170.5 | 51.6 | 0 | 0 | 0 | 0 | 112 | L6 F7 L8 E12 K13 H14 E89 F90 | L6-T10 HydrophobicContact CD1-CG2 4.15Å; L6-T10 WeakPolarHBondContact O-CB 3.38Å; L6-T10 WeakPolarHBondContact O-CG2 3.18Å; L6-T10 PolarHBondContact O-N 3.41Å; L6-T10 PolarHBondContact O-OG1 3.48Å; F7-T10 PolarHBondContact O-OG1 2.83Å; F7-T10 VanDerWaalsContact O-OG1 3.14Å; L8-T10 PolarHBondContact O-N 3.11Å; T10-E12 VanDerWaalsContact C-N 3.3Å; T10-E12 PolarHBondContact O-N 3.45Å; T10-K13 PolarHBondContact O-N 2.78Å; T10-H14 PolarHBondContact O-CD2 2.91Å; T10-H14 PolarHBondContact O-N 3.21Å; T10-E89 HydrophobicContact CG2-CB 4.32Å; T10-F90 VanDerWaalsContact CB-O 3.25Å; T10-F90 WeakPolarHBondContact CB-O 3.11Å; T10-F90 WeakPolarHBondContact CG2-O 3.31Å; T10-F90 PolarHBondContact OG1-N 3.26Å; T10-F90 VanDerWaalsContact OG1-N 3.1Å |
| 11 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57 | -41.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F7 L8 K13 H14 F15 Y23 F90 F258 | F7-A11 VanDerWaalsContact O-CB 3.29Å; F7-A11 WeakPolarHBondContact O-CB 3.18Å; F7-A11 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 2.83Å; A11-K13 PolarHBondContact O-N 3.16Å; A11-K13 VanDerWaalsContact O-N 3.16Å; A11-H14 PolarHBondContact O-N 3.19Å; A11-F15 HydrophobicContact CB-CB 4.12Å; A11-F15 WeakPolarHBondContact O-CB 3.5Å; A11-F15 PolarHBondContact O-N 3.19Å; A11-Y23 HydrophobicContact CB-CE1 4.03Å; A11-F90 HydrophobicContact CB-CD2 3.85Å; A11-F90 HydrophobicContact CB-CE2 3.73Å; A11-F90 HydrophobicContact CB-CZ 4.48Å; A11-F258 HydrophobicContact CB-CE1 3.82Å |
| 12 | E | 97.3 | Very high | 93.8 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -21.6 | 175.5 | -76.6 | -61.9 | 116.1 | 0 | 0 | 114.5 | L8 T10 Y23 L38 G39 R42 | L8-E12 WeakPolarHBondContact O-CG 3.4Å; L8-E12 PolarHBondContact O-N 3.05Å; T10-E12 VanDerWaalsContact C-N 3.3Å; T10-E12 PolarHBondContact O-N 3.45Å; E12-Y23 WeakPolarHBondContact OE1-CE2 3.45Å; E12-Y23 VanDerWaalsContact OE1-CZ 3.24Å; E12-Y23 PolarHBondContact OE1-OH 2.51Å; E12-L38 HydrophobicContact CG-CD2 4.12Å; E12-L38 WeakPolarHBondContact OE2-CA 3.41Å; E12-G39 PolarHBondContact OE2-N 2.76Å; E12-R42 IonicContact OE1-CZ 3.41Å; E12-R42 IonicContact OE1-NE 3.68Å; E12-R42 PolarHBondContact OE1-NE 3.34Å; E12-R42 IonicContact OE1-NH2 2.83Å; E12-R42 WeakPolarHBondContact OE2-CD 3.25Å; E12-R42 IonicContact OE2-NE 2.67Å; E12-R42 PolarHBondContact OE2-NE 3.3Å |
| 13 | K | 95.9 | Very high | 94.1 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -93.9 | -20.1 | -179.9 | -62.7 | 172.3 | -173.8 | 167.9 | 0 | 113.9 | E9 T10 A11 | E9-K13 WeakPolarHBondContact O-CD 3.39Å; E9-K13 WeakPolarHBondContact O-CE 3.29Å; T10-K13 PolarHBondContact O-N 2.78Å; A11-K13 PolarHBondContact O-N 3.16Å; A11-K13 VanDerWaalsContact O-N 3.16Å |
| 14 | H | 94.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -139.7 | -31.4 | -159.3 | -67.7 | -58.3 | 0 | 0 | 0 | 114.5 | T10 A11 F90 D92 V94 | T10-H14 PolarHBondContact O-CD2 2.91Å; T10-H14 PolarHBondContact O-N 3.21Å; A11-H14 PolarHBondContact O-N 3.19Å; H14-F90 HydrophobicContact CB-CB 3.71Å; H14-F90 PolarHBondContact CD2-O 2.82Å; H14-D92 WeakPolarHBondContact CB-O 3.45Å; H14-V94 PolarHBondContact O-N 3.23Å |
| 15 | F | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 116.1 | -175.1 | -179.5 | -105.1 | 0 | 0 | 0 | 111 | A11 V17 V21 R42 V82 F90 V94 F258 | A11-F15 HydrophobicContact CB-CB 4.12Å; A11-F15 WeakPolarHBondContact O-CB 3.5Å; A11-F15 PolarHBondContact O-N 3.19Å; F15-V17 PolarHBondContact O-N 3.47Å; F15-V21 HydrophobicContact CD1-CG1 4.25Å; F15-V21 HydrophobicContact CD1-CG2 4.35Å; F15-V21 HydrophobicContact CE1-CG1 4.14Å; F15-V21 HydrophobicContact CE1-CG2 4.3Å; F15-R42 PolarHBondContact O-NH1 2.82Å; F15-R42 PolarHBondContact O-NH2 2.99Å; F15-V82 HydrophobicContact CE2-CB 4.42Å; F15-V82 HydrophobicContact CE2-CG1 4.01Å; F15-V82 HydrophobicContact CE2-CG2 4.48Å; F15-V82 HydrophobicContact CZ-CB 4.09Å; F15-V82 HydrophobicContact CZ-CG1 4.16Å; F15-V82 HydrophobicContact CZ-CG2 4.18Å; F15-F90 HydrophobicContact CB-CD1 4.22Å; F15-F90 HydrophobicContact CB-CE1 3.97Å; F15-F90 HydrophobicContact CB-CZ 4.23Å; F15-F90 AromaticContact CD2-CE1 3.84Å; F15-F90 HydrophobicContact CD2-CE1 3.84Å; F15-F90 HydrophobicContact CD2-CZ 4.22Å; F15-F90 HydrophobicContact CG-CE1 4.2Å; F15-F90 HydrophobicContact CG-CZ 4.33Å; F15-V94 CarbonylContact C-O 3.53Å; F15-V94 WeakPolarHBondContact CA-O 3.23Å; F15-V94 HydrophobicContact CD2-CB 4.34Å; F15-V94 HydrophobicContact CD2-CG1 4.03Å; F15-V94 HydrophobicContact CE2-CG1 4.39Å; F15-F258 AromaticContact CD1-CD1 3.87Å; F15-F258 HydrophobicContact CD1-CD1 3.87Å; F15-F258 HydrophobicContact CE1-CB 3.75Å; F15-F258 AromaticContact CE1-CD1 3.82Å; F15-F258 HydrophobicContact CE1-CD1 3.82Å; F15-F258 HydrophobicContact CE1-CG 4.13Å; F15-F258 HydrophobicContact CZ-CB 3.84Å; F15-F258 HydrophobicContact CZ-CD1 4.41Å; F15-F258 HydrophobicContact CZ-CG 4.35Å |
| 16 | M | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 50.6 | 44.3 | 173.7 | -57.8 | -70.7 | 170.2 | 0 | 0 | 112.2 | H19 V21 R42 V94 G95 V96 I98 L99 | M16-H19 HydrophobicContact CB-CB 4.23Å; M16-H19 WeakPolarHBondContact O-CB 3.31Å; M16-H19 PolarHBondContact O-N 3.34Å; M16-H19 VanDerWaalsContact O-N 3.13Å; M16-V21 HydrophobicContact CB-CG2 3.6Å; M16-V21 HydrophobicContact CG-CG2 4.43Å; M16-R42 PolarHBondContact O-NH1 3.19Å; M16-V94 PolarHBondContact N-O 3.01Å; M16-G95 WeakPolarHBondContact CE-O 3.32Å; M16-V96 HydrophobicContact SD-CG1 4.22Å; M16-I98 HydrophobicContact CE-CD1 3.95Å; M16-I98 HydrophobicContact CE-CG1 3.74Å; M16-L99 HydrophobicContact CE-CD1 4.21Å; M16-L99 HydrophobicContact CE-CD2 3.69Å; M16-L99 HydrophobicContact CE-CG 3.92Å; M16-L99 HydrophobicContact SD-CD1 4.23Å |
| 17 | V | 92.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 32 Ų | 32 | 47% | 0.467 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 135.1 | -178.3 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | F15 H19 | F15-V17 PolarHBondContact O-N 3.47Å; V17-H19 PolarHBondContact O-CD2 3.11Å; V17-H19 VanDerWaalsContact O-CD2 3.3Å; V17-H19 PolarHBondContact O-N 2.87Å |
| 18 | G | 90.7 | Very high | 94.2 | Very high | 83 Ų | 83 | 33.3 Ų | 33.3 | 86% | 0.856 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -13.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 19 | H | 91.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 20% | 0.199 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -99.9 | 159.5 | 176.1 | -53.4 | -85 | 0 | 0 | 0 | 111.6 | M16 V17 R42 V96 C263 | M16-H19 HydrophobicContact CB-CB 4.23Å; M16-H19 WeakPolarHBondContact O-CB 3.31Å; M16-H19 PolarHBondContact O-N 3.34Å; M16-H19 VanDerWaalsContact O-N 3.13Å; V17-H19 PolarHBondContact O-CD2 3.11Å; V17-H19 VanDerWaalsContact O-CD2 3.3Å; V17-H19 PolarHBondContact O-N 2.87Å; H19-R42 PolarHBondContact O-NH1 3.43Å; H19-V96 WeakPolarHBondContact CE1-CG1 3.45Å; H19-C263 PolarHBondContact CE1-SG 3.18Å; H19-C263 PolarHBondContact ND1-SG 2.97Å |
| 20 | R | 93.4 | Very high | 93.9 | Very high | 160 Ų | 160 | 35 Ų | 35 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | trans | -67.9 | 136.6 | 172 | -62.7 | 173.8 | 68.5 | 165.5 | 1.9 | 108.4 | G41 C260 P261 | R20-G41 WeakPolarHBondContact CA-O 3.29Å; R20-C260 PolarHBondContact O-SG 2.66Å; R20-P261 HydrophobicContact CB-CB 3.88Å; R20-P261 HydrophobicContact CB-CG 3.92Å; R20-P261 WeakPolarHBondContact O-CD 3.37Å | ||
| 21 | V | 94.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141.9 | 179.9 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | F15 M16 Y23 G41 R42 Q43 | F15-V21 HydrophobicContact CD1-CG1 4.25Å; F15-V21 HydrophobicContact CD1-CG2 4.35Å; F15-V21 HydrophobicContact CE1-CG1 4.14Å; F15-V21 HydrophobicContact CE1-CG2 4.3Å; M16-V21 HydrophobicContact CB-CG2 3.6Å; M16-V21 HydrophobicContact CG-CG2 4.43Å; V21-Y23 HydrophobicContact CG1-CD1 4.15Å; V21-Y23 HydrophobicContact CG1-CD2 4.32Å; V21-Y23 HydrophobicContact CG1-CE1 3.76Å; V21-Y23 HydrophobicContact CG1-CE2 3.96Å; V21-Y23 HydrophobicContact CG1-CG 4.43Å; V21-G41 PolarHBondContact N-O 3.3Å; V21-R42 HydrophobicContact CB-CB 4.47Å; V21-R42 HydrophobicContact CB-CG 4.29Å; V21-R42 VanDerWaalsContact CG2-NH1 3.26Å; V21-R42 CarbonylContact O-C 3.56Å; V21-R42 VanDerWaalsContact O-CA 3.28Å; V21-R42 WeakPolarHBondContact O-CA 3.5Å; V21-Q43 PolarHBondContact O-N 3.38Å |
| 22 | H | 95.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 114.2 | 176.2 | -161.7 | 150 | 0 | 0 | 0 | 110 | Y24 Q43 S45 R73 E77 V78 L259 | H22-Y24 HydrophobicContact CB-CD2 4.47Å; H22-Y24 HydrophobicContact CB-CE2 3.58Å; H22-Y24 AromaticContact CD2-CD2 3.8Å; H22-Y24 AromaticContact CD2-CE1 3.96Å; H22-Y24 AromaticContact CD2-CE2 3.2Å; H22-Y24 WeakPolarHBondContact CD2-CE2 3.41Å; H22-Y24 AromaticContact CD2-CZ 3.35Å; H22-Y24 AromaticContact CE1-CZ 3.62Å; H22-Y24 PolarHBondContact CE1-OH 2.86Å; H22-Y24 VanDerWaalsContact CE1-OH 3.31Å; H22-Y24 AromaticContact CG-CE2 3.28Å; H22-Y24 AromaticContact CG-CZ 3.46Å; H22-Y24 VanDerWaalsContact CG-CZ 3.46Å; H22-Y24 AromaticContact ND1-CE2 3.97Å; H22-Y24 AromaticContact ND1-CZ 3.66Å; H22-Y24 PolarHBondContact ND1-OH 2.84Å; H22-Y24 VanDerWaalsContact ND1-OH 3.14Å; H22-Y24 AromaticContact NE2-CE1 3.73Å; H22-Y24 AromaticContact NE2-CE2 3.82Å; H22-Y24 AromaticContact NE2-CZ 3.45Å; H22-Y24 VanDerWaalsContact O-CD2 3.29Å; H22-Y24 WeakPolarHBondContact O-CD2 3.22Å; H22-Y24 WeakPolarHBondContact O-CE2 3.29Å; H22-Q43 CarbonylContact C-O 3.59Å; H22-Q43 WeakPolarHBondContact CA-O 3.14Å; H22-Q43 HydrophobicContact CB-CG 4.13Å; H22-Q43 PolarHBondContact CE1-NE2 3.19Å; H22-Q43 PolarHBondContact ND1-NE2 2.81Å; H22-S45 PolarHBondContact NE2-OG 2.78Å; H22-R73 PolarHBondContact CE1-NH2 2.91Å; H22-E77 IonicContact CE1-OE2 3.63Å; H22-E77 PolarHBondContact CE1-OE2 2.75Å; H22-E77 IonicContact ND1-OE2 3.62Å; H22-E77 IonicContact NE2-OE2 3.28Å; H22-V78 HydrophobicContact CB-CG1 4.4Å; H22-L259 PolarHBondContact N-O 3.09Å; H22-L259 PolarHBondContact O-N 3.44Å |
| 23 | Y | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132 | 178.2 | -55.9 | -75.2 | 0 | 0 | 0 | 111 | L8 A11 E12 V21 L38 R42 Q43 L44 S45 F258 | L8-Y23 HydrophobicContact CD2-CD1 3.83Å; L8-Y23 HydrophobicContact CD2-CD2 4.37Å; L8-Y23 HydrophobicContact CD2-CE1 4.12Å; L8-Y23 HydrophobicContact CD2-CG 3.95Å; A11-Y23 HydrophobicContact CB-CE1 4.03Å; E12-Y23 WeakPolarHBondContact OE1-CE2 3.45Å; E12-Y23 VanDerWaalsContact OE1-CZ 3.24Å; E12-Y23 PolarHBondContact OE1-OH 2.51Å; V21-Y23 HydrophobicContact CG1-CD1 4.15Å; V21-Y23 HydrophobicContact CG1-CD2 4.32Å; V21-Y23 HydrophobicContact CG1-CE1 3.76Å; V21-Y23 HydrophobicContact CG1-CE2 3.96Å; V21-Y23 HydrophobicContact CG1-CG 4.43Å; Y23-L38 HydrophobicContact CD2-CD1 4.39Å; Y23-L38 HydrophobicContact CD2-CD2 4.34Å; Y23-L38 HydrophobicContact CE2-CD2 3.94Å; Y23-R42 PolarHBondContact OH-NH2 3.13Å; Y23-Q43 WeakPolarHBondContact CD2-O 3.37Å; Y23-Q43 PolarHBondContact N-O 3.42Å; Y23-L44 HydrophobicContact CD2-CB 4.27Å; Y23-L44 HydrophobicContact CD2-CD1 4.49Å; Y23-L44 HydrophobicContact CG-CD1 4.48Å; Y23-S45 PolarHBondContact O-N 3.13Å; Y23-F258 AromaticContact CD1-CD1 3.42Å; Y23-F258 HydrophobicContact CD1-CD1 3.42Å; Y23-F258 VanDerWaalsContact CD1-CD1 3.42Å; Y23-F258 AromaticContact CD1-CE1 3.6Å; Y23-F258 HydrophobicContact CD1-CE1 3.6Å; Y23-F258 HydrophobicContact CD1-CG 4.39Å; Y23-F258 AromaticContact CE1-CD1 3.43Å; Y23-F258 HydrophobicContact CE1-CD1 3.43Å; Y23-F258 VanDerWaalsContact CE1-CD1 3.43Å; Y23-F258 AromaticContact CE1-CE1 3.48Å; Y23-F258 HydrophobicContact CE1-CE1 3.48Å; Y23-F258 VanDerWaalsContact CE1-CE1 3.48Å |
| 24 | Y | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 90.7 | 179.4 | -64.9 | -102.1 | 0 | 0 | 0 | 110.7 | H22 F26 S45 L47 R73 F74 E77 L256 C257 L259 | H22-Y24 HydrophobicContact CB-CD2 4.47Å; H22-Y24 HydrophobicContact CB-CE2 3.58Å; H22-Y24 AromaticContact CD2-CD2 3.8Å; H22-Y24 AromaticContact CD2-CE1 3.96Å; H22-Y24 AromaticContact CD2-CE2 3.2Å; H22-Y24 WeakPolarHBondContact CD2-CE2 3.41Å; H22-Y24 AromaticContact CD2-CZ 3.35Å; H22-Y24 AromaticContact CE1-CZ 3.62Å; H22-Y24 PolarHBondContact CE1-OH 2.86Å; H22-Y24 VanDerWaalsContact CE1-OH 3.31Å; H22-Y24 AromaticContact CG-CE2 3.28Å; H22-Y24 AromaticContact CG-CZ 3.46Å; H22-Y24 VanDerWaalsContact CG-CZ 3.46Å; H22-Y24 AromaticContact ND1-CE2 3.97Å; H22-Y24 AromaticContact ND1-CZ 3.66Å; H22-Y24 PolarHBondContact ND1-OH 2.84Å; H22-Y24 VanDerWaalsContact ND1-OH 3.14Å; H22-Y24 AromaticContact NE2-CE1 3.73Å; H22-Y24 AromaticContact NE2-CE2 3.82Å; H22-Y24 AromaticContact NE2-CZ 3.45Å; H22-Y24 VanDerWaalsContact O-CD2 3.29Å; H22-Y24 WeakPolarHBondContact O-CD2 3.22Å; H22-Y24 WeakPolarHBondContact O-CE2 3.29Å; Y24-F26 VanDerWaalsContact O-CD2 3.3Å; Y24-F26 WeakPolarHBondContact O-CD2 3.4Å; Y24-F26 PolarHBondContact O-N 2.84Å; Y24-S45 WeakPolarHBondContact CA-O 3.25Å; Y24-L47 HydrophobicContact CD1-CD1 4.05Å; Y24-L47 HydrophobicContact CD1-CD2 4.43Å; Y24-L47 HydrophobicContact CD1-CG 4.39Å; Y24-L47 HydrophobicContact CG-CD1 4.48Å; Y24-R73 HydrophobicContact CE1-CG 4.32Å; Y24-F74 HydrophobicContact CD1-CD1 4.27Å; Y24-F74 AromaticContact CD1-CE1 3.51Å; Y24-F74 HydrophobicContact CD1-CE1 3.51Å; Y24-F74 HydrophobicContact CD1-CZ 4.37Å; Y24-F74 HydrophobicContact CD2-CE1 4.32Å; Y24-F74 AromaticContact CE1-CD1 3.95Å; Y24-F74 HydrophobicContact CE1-CD1 3.95Å; Y24-F74 AromaticContact CE1-CE1 3.65Å; Y24-F74 HydrophobicContact CE1-CE1 3.65Å; Y24-F74 HydrophobicContact CE2-CE1 4.49Å; Y24-F74 AromaticContact CG-CE1 3.82Å; Y24-F74 HydrophobicContact CG-CE1 3.82Å; Y24-F74 HydrophobicContact CG-CZ 4.35Å; Y24-E77 PolarHBondContact OH-OE2 3.32Å; Y24-L256 VanDerWaalsContact N-CD1 3.32Å; Y24-L256 VanDerWaalsContact O-CD1 3.31Å; Y24-L256 WeakPolarHBondContact O-CD1 3.41Å; Y24-C257 PolarHBondContact N-O 2.86Å; Y24-C257 PolarHBondContact O-N 3.12Å; Y24-L259 HydrophobicContact CD2-CB 4.33Å; Y24-L259 HydrophobicContact CD2-CD1 3.58Å; Y24-L259 HydrophobicContact CD2-CG 3.68Å; Y24-L259 HydrophobicContact CE1-CD1 4.3Å; Y24-L259 HydrophobicContact CE2-CB 3.85Å; Y24-L259 HydrophobicContact CE2-CD1 3Å; Y24-L259 HydrophobicContact CE2-CG 3.44Å; Y24-L259 VanDerWaalsContact CE2-CG 3.44Å; Y24-L259 HydrophobicContact CG-CD1 4.42Å |
| 25 | V | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 98.4 | -175.9 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | L4 T27 V33 L44 S45 L47 L256 | L4-V25 HydrophobicContact CD1-CG1 3.85Å; L4-V25 HydrophobicContact CD2-CG1 3.88Å; V25-T27 HydrophobicContact CG1-CG2 4.39Å; V25-T27 PolarHBondContact O-N 2.93Å; V25-V33 HydrophobicContact CB-CG2 4.47Å; V25-V33 HydrophobicContact CG1-CG1 4.32Å; V25-V33 HydrophobicContact CG1-CG2 3.77Å; V25-V33 HydrophobicContact CG2-CG1 4.23Å; V25-L44 HydrophobicContact CG2-CD1 3.87Å; V25-L44 HydrophobicContact CG2-CD2 4.03Å; V25-L44 HydrophobicContact CG2-CG 4.03Å; V25-S45 PolarHBondContact N-O 3.1Å; V25-L47 PolarHBondContact O-N 3.28Å; V25-L256 HydrophobicContact CB-CD1 4.49Å; V25-L256 HydrophobicContact CG2-CD1 3.89Å; V25-L256 HydrophobicContact CG2-CD2 4.26Å; V25-L256 HydrophobicContact CG2-CG 4.47Å |
| 26 | F | 91.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 48 Ų | 48 | 4% | 0.044 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.2 | 171.1 | -60 | -103.9 | 0 | 0 | 0 | 109.5 | Y24 L47 V49 M65 F69 F74 G254 K255 C257 | Y24-F26 VanDerWaalsContact O-CD2 3.3Å; Y24-F26 WeakPolarHBondContact O-CD2 3.4Å; Y24-F26 PolarHBondContact O-N 2.84Å; F26-L47 CarbonylContact C-O 3.55Å; F26-L47 VanDerWaalsContact CA-O 3.3Å; F26-L47 WeakPolarHBondContact CA-O 3.49Å; F26-L47 HydrophobicContact CD1-CB 4.02Å; F26-L47 HydrophobicContact CD1-CD1 3.84Å; F26-L47 HydrophobicContact CD2-CD1 4.26Å; F26-L47 HydrophobicContact CE1-CB 4.49Å; F26-L47 HydrophobicContact CE1-CD1 3.54Å; F26-L47 HydrophobicContact CE2-CD1 3.96Å; F26-L47 HydrophobicContact CG-CB 4.29Å; F26-L47 HydrophobicContact CG-CD1 4.23Å; F26-L47 HydrophobicContact CZ-CD1 3.62Å; F26-V49 HydrophobicContact CB-CG2 3.94Å; F26-V49 HydrophobicContact CD1-CG1 3.82Å; F26-M65 HydrophobicContact CD1-CB 4.29Å; F26-M65 HydrophobicContact CD1-SD 4.49Å; F26-M65 HydrophobicContact CE1-CB 3.98Å; F26-F69 HydrophobicContact CE1-CB 4.3Å; F26-F69 AromaticContact CE1-CD2 3.59Å; F26-F69 HydrophobicContact CE1-CD2 3.59Å; F26-F69 HydrophobicContact CE1-CE2 4.05Å; F26-F69 AromaticContact CE1-CG 3.99Å; F26-F69 HydrophobicContact CE1-CG 3.99Å; F26-F69 HydrophobicContact CZ-CB 4.23Å; F26-F69 HydrophobicContact CZ-CD2 4.35Å; F26-F69 HydrophobicContact CZ-CG 4.36Å; F26-F74 HydrophobicContact CE2-CZ 4.26Å; F26-F74 HydrophobicContact CZ-CE2 4.38Å; F26-F74 AromaticContact CZ-CZ 3.82Å; F26-F74 HydrophobicContact CZ-CZ 3.82Å; F26-G254 CarbonylContact O-C 3.36Å; F26-G254 WeakPolarHBondContact O-CA 3.4Å; F26-K255 CarbonylContact C-O 3.51Å; F26-K255 WeakPolarHBondContact CA-O 3.4Å; F26-K255 VanDerWaalsContact CB-O 3.26Å; F26-K255 WeakPolarHBondContact CB-O 3.21Å; F26-K255 PolarHBondContact N-O 3.01Å; F26-K255 PolarHBondContact O-N 3.49Å; F26-C257 HydrophobicContact CE2-CB 3.94Å |
| 27 | T | 90.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 148.3 | -179.6 | -172.4 | 0 | 0 | 0 | 0 | 114.5 | V1 V25 Q29 P30 V33 V46 L47 E48 V49 | V1-T27 WeakPolarHBondContact CG1-OG1 3.07Å; V25-T27 HydrophobicContact CG1-CG2 4.39Å; V25-T27 PolarHBondContact O-N 2.93Å; T27-Q29 PolarHBondContact OG1-N 2.71Å; T27-P30 HydrophobicContact CG2-CG 4.39Å; T27-V33 HydrophobicContact CG2-CG2 3.86Å; T27-V46 HydrophobicContact CG2-CG1 3.63Å; T27-L47 PolarHBondContact N-O 3.47Å; T27-E48 WeakPolarHBondContact O-CA 3.24Å; T27-V49 PolarHBondContact O-N 3.14Å |
| 28 | D | 90.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -78.5 | -1.4 | 166.7 | 69.7 | -64.6 | 0 | 0 | 0 | 113.9 | V49 A51 S251 R252 T253 G254 | D28-V49 VanDerWaalsContact CA-O 3.26Å; D28-V49 WeakPolarHBondContact CA-O 3.32Å; D28-V49 PolarHBondContact N-O 3.36Å; D28-A51 HydrophobicContact CB-CB 3.85Å; D28-S251 PolarHBondContact OD2-OG 3.11Å; D28-R252 VanDerWaalsContact OD2-CA 3.31Å; D28-R252 WeakPolarHBondContact OD2-CA 3.28Å; D28-R252 PolarHBondContact OD2-N 2.98Å; D28-T253 PolarHBondContact OD1-N 3.15Å; D28-G254 PolarHBondContact OD1-N 3.31Å |
| 29 | Q | 93.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | trans | -141.5 | 73 | -174.7 | -71.7 | 158.3 | 72.7 | 0 | 0 | 110.9 | V1 T27 A31 A32 S251 | V1-Q29 HydrophobicContact CG1-CB 4.34Å; T27-Q29 PolarHBondContact OG1-N 2.71Å; Q29-A31 VanDerWaalsContact C-N 3.27Å; Q29-A31 PolarHBondContact O-N 2.92Å; Q29-A32 HydrophobicContact CB-CB 3.85Å; Q29-A32 WeakPolarHBondContact O-CB 3.28Å; Q29-A32 PolarHBondContact O-N 3.5Å; Q29-S251 PolarHBondContact NE2-OG 2.7Å | ||
| 30 | P | 93.3 | Very high | 93.9 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -56.4 | -37.2 | -176.9 | -28.2 | 36.5 | 0 | 0 | 0 | 114.4 | T27 A32 V33 V46 E48 | T27-P30 HydrophobicContact CG2-CG 4.39Å; P30-A32 PolarHBondContact O-N 3.25Å; P30-V33 WeakPolarHBondContact O-CG2 3.44Å; P30-V33 PolarHBondContact O-N 2.99Å; P30-V46 HydrophobicContact CB-CG1 3.9Å; P30-V46 HydrophobicContact CG-CG1 4.41Å; P30-E48 HydrophobicContact CG-CB 3.88Å; P30-E48 HydrophobicContact CG-CG 3.74Å |
| 31 | A | 94.5 | Very high | 93.8 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 93% | 0.934 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -69 | -11.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q29 | Q29-A31 VanDerWaalsContact C-N 3.27Å; Q29-A31 PolarHBondContact O-N 2.92Å |
| 32 | A | 91.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -97.4 | 6.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1 Q29 P30 | V1-A32 HydrophobicContact CB-CB 4.44Å; V1-A32 HydrophobicContact CG1-CB 4.36Å; Q29-A32 HydrophobicContact CB-CB 3.85Å; Q29-A32 WeakPolarHBondContact O-CB 3.28Å; Q29-A32 PolarHBondContact O-N 3.5Å; P30-A32 PolarHBondContact O-N 3.25Å |
| 33 | V | 93.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -76.1 | 125 | 171.5 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | L4 V25 T27 P30 L44 V46 | L4-V33 HydrophobicContact CD1-CG2 4.27Å; V25-V33 HydrophobicContact CB-CG2 4.47Å; V25-V33 HydrophobicContact CG1-CG1 4.32Å; V25-V33 HydrophobicContact CG1-CG2 3.77Å; V25-V33 HydrophobicContact CG2-CG1 4.23Å; T27-V33 HydrophobicContact CG2-CG2 3.86Å; P30-V33 WeakPolarHBondContact O-CG2 3.44Å; P30-V33 PolarHBondContact O-N 2.99Å; V33-L44 HydrophobicContact CG1-CD2 4.3Å; V33-V46 HydrophobicContact CB-CG2 4.14Å; V33-V46 HydrophobicContact CG1-CG2 4.07Å; V33-V46 HydrophobicContact CG2-CG1 3.86Å; V33-V46 HydrophobicContact CG2-CG2 3.92Å |
| 34 | P | 93.7 | Very high | 93.9 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | trans | -69.2 | 144 | -177.7 | 28.5 | -34.4 | 0 | 0 | 0 | 111.3 | L4 K5 L8 V36 | L4-P34 HydrophobicContact CB-CG 3.84Å; K5-P34 HydrophobicContact CB-CB 4.19Å; K5-P34 HydrophobicContact CB-CG 4.06Å; L8-P34 HydrophobicContact CD1-CG 4.43Å; P34-V36 HydrophobicContact CB-CG2 4.24Å; P34-V36 HydrophobicContact CG-CG2 4.2Å; P34-V36 PolarHBondContact O-N 3.36Å | ||
| 35 | R | 94.6 | Very high | 93.9 | Very high | 256 Ų | 256 | 60.2 Ų | 60.2 | 97% | 0.966 | 36% | 0.355 | S | S | * | . | trans | -76.1 | 111.8 | 165.7 | -66.6 | 179.2 | -178.2 | 145.9 | 1.1 | 108.2 | ||||
| 36 | V | 94.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 63 Ų | 63 | 17% | 0.17 | 37% | 0.372 | C | S | . | . | trans | -117.4 | 137.7 | 176.6 | 179 | 0 | 0 | 0 | 0 | 107.9 | L8 E9 P34 L38 | L8-V36 HydrophobicContact CB-CB 4.32Å; L8-V36 HydrophobicContact CB-CG1 4.19Å; L8-V36 HydrophobicContact CB-CG2 4.01Å; L8-V36 HydrophobicContact CD1-CG2 4.24Å; E9-V36 HydrophobicContact CG-CG1 3.77Å; E9-V36 HydrophobicContact CG-CG2 4.24Å; P34-V36 HydrophobicContact CB-CG2 4.24Å; P34-V36 HydrophobicContact CG-CG2 4.2Å; P34-V36 PolarHBondContact O-N 3.36Å; V36-L38 PolarHBondContact O-N 2.69Å | ||
| 37 | T | 96.7 | Very high | 93.8 | Very high | 132 Ų | 132 | 63.1 Ų | 63.1 | 81% | 0.81 | 37% | 0.373 | S | S | * | . | trans | -68.3 | 125.8 | 174.5 | -54 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | L | 96.1 | Very high | 93.9 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | trans | -106 | 144.4 | 177.4 | -49.8 | -178 | 0 | 0 | 0 | 110.4 | E12 Y23 V36 R42 L44 | E12-L38 HydrophobicContact CG-CD2 4.12Å; E12-L38 WeakPolarHBondContact OE2-CA 3.41Å; Y23-L38 HydrophobicContact CD2-CD1 4.39Å; Y23-L38 HydrophobicContact CD2-CD2 4.34Å; Y23-L38 HydrophobicContact CE2-CD2 3.94Å; V36-L38 PolarHBondContact O-N 2.69Å; L38-R42 HydrophobicContact CB-CB 4.3Å; L38-L44 HydrophobicContact CD1-CB 3.8Å | ||
| 39 | G | 94 | Very high | 93.7 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | trans | -69.8 | 165.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E12 G41 R42 | E12-G39 PolarHBondContact OE2-N 2.76Å; G39-G41 PolarHBondContact O-N 2.67Å; G39-R42 VanDerWaalsContact O-CB 3.29Å; G39-R42 WeakPolarHBondContact O-CB 3.38Å; G39-R42 PolarHBondContact O-N 3.43Å; G39-R42 VanDerWaalsContact O-N 3.11Å | ||
| 40 | T | 94.3 | Very high | 93.4 | Very high | 152 Ų | 152 | 73.4 Ų | 73.4 | 93% | 0.933 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 134.2 | 178 | -52 | 0 | 0 | 0 | 0 | 111.6 | R42 | T40-R42 VanDerWaalsContact C-N 3.27Å; T40-R42 PolarHBondContact O-N 2.68Å |
| 41 | G | 91.4 | Very high | 92.9 | Very high | 50 Ų | 50 | 72 Ų | 72 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 6.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R20 V21 G39 | R20-G41 WeakPolarHBondContact CA-O 3.29Å; V21-G41 PolarHBondContact N-O 3.3Å; G39-G41 PolarHBondContact O-N 2.67Å |
| 42 | R | 96 | Very high | 92.1 | Very high | 26 Ų | 26 | 69.3 Ų | 69.3 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.1 | -179.2 | -48.6 | 174.2 | 73.1 | 92.8 | -11.5 | 110.2 | E12 F15 M16 H19 V21 Y23 L38 G39 T40 | E12-R42 IonicContact OE1-CZ 3.41Å; E12-R42 IonicContact OE1-NE 3.68Å; E12-R42 PolarHBondContact OE1-NE 3.34Å; E12-R42 IonicContact OE1-NH2 2.83Å; E12-R42 WeakPolarHBondContact OE2-CD 3.25Å; E12-R42 IonicContact OE2-NE 2.67Å; E12-R42 PolarHBondContact OE2-NE 3.3Å; F15-R42 PolarHBondContact O-NH1 2.82Å; F15-R42 PolarHBondContact O-NH2 2.99Å; M16-R42 PolarHBondContact O-NH1 3.19Å; H19-R42 PolarHBondContact O-NH1 3.43Å; V21-R42 HydrophobicContact CB-CB 4.47Å; V21-R42 HydrophobicContact CB-CG 4.29Å; V21-R42 VanDerWaalsContact CG2-NH1 3.26Å; V21-R42 CarbonylContact O-C 3.56Å; V21-R42 VanDerWaalsContact O-CA 3.28Å; V21-R42 WeakPolarHBondContact O-CA 3.5Å; Y23-R42 PolarHBondContact OH-NH2 3.13Å; L38-R42 HydrophobicContact CB-CB 4.3Å; G39-R42 VanDerWaalsContact O-CB 3.29Å; G39-R42 WeakPolarHBondContact O-CB 3.38Å; G39-R42 PolarHBondContact O-N 3.43Å; G39-R42 VanDerWaalsContact O-N 3.11Å; T40-R42 VanDerWaalsContact C-N 3.27Å; T40-R42 PolarHBondContact O-N 2.68Å |
| 43 | Q | 94.7 | Very high | 91.6 | Very high | 105 Ų | 105 | 76.7 Ų | 76.7 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.6 | -175.5 | 62.5 | -175.3 | -4.3 | 0 | 0 | 112.5 | V21 H22 Y23 | V21-Q43 PolarHBondContact O-N 3.38Å; H22-Q43 CarbonylContact C-O 3.59Å; H22-Q43 WeakPolarHBondContact CA-O 3.14Å; H22-Q43 HydrophobicContact CB-CG 4.13Å; H22-Q43 PolarHBondContact CE1-NE2 3.19Å; H22-Q43 PolarHBondContact ND1-NE2 2.81Å; Y23-Q43 WeakPolarHBondContact CD2-O 3.37Å; Y23-Q43 PolarHBondContact N-O 3.42Å |
| 44 | L | 95.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 80.1 Ų | 80.1 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.2 | 179.6 | -174.8 | 148.9 | 0 | 0 | 0 | 110.7 | L8 Y23 V25 V33 L38 V46 | L8-L44 HydrophobicContact CD1-CD1 3.69Å; L8-L44 HydrophobicContact CD2-CD1 3.94Å; L8-L44 HydrophobicContact CG-CD1 4.5Å; Y23-L44 HydrophobicContact CD2-CB 4.27Å; Y23-L44 HydrophobicContact CD2-CD1 4.49Å; Y23-L44 HydrophobicContact CG-CD1 4.48Å; V25-L44 HydrophobicContact CG2-CD1 3.87Å; V25-L44 HydrophobicContact CG2-CD2 4.03Å; V25-L44 HydrophobicContact CG2-CG 4.03Å; V33-L44 HydrophobicContact CG1-CD2 4.3Å; L38-L44 HydrophobicContact CD1-CB 3.8Å; L44-V46 HydrophobicContact CD2-CG2 3.87Å |
| 45 | S | 94.1 | Very high | 90 | Very high | 24 Ų | 24 | 87.1 Ų | 87.1 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.6 | 169.9 | -70.4 | 0 | 0 | 0 | 0 | 110.1 | H22 Y23 Y24 V25 R73 | H22-S45 PolarHBondContact NE2-OG 2.78Å; Y23-S45 PolarHBondContact O-N 3.13Å; Y24-S45 WeakPolarHBondContact CA-O 3.25Å; V25-S45 PolarHBondContact N-O 3.1Å; S45-R73 PolarHBondContact OG-NH1 2.82Å; S45-R73 PolarHBondContact OG-NH2 2.91Å |
| 46 | V | 94.6 | Very high | 89.1 | Confident | 58 Ų | 58 | 77 Ų | 77 | 35% | 0.352 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.1 | 169.2 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | T27 P30 V33 L44 | T27-V46 HydrophobicContact CG2-CG1 3.63Å; P30-V46 HydrophobicContact CB-CG1 3.9Å; P30-V46 HydrophobicContact CG-CG1 4.41Å; V33-V46 HydrophobicContact CB-CG2 4.14Å; V33-V46 HydrophobicContact CG1-CG2 4.07Å; V33-V46 HydrophobicContact CG2-CG1 3.86Å; V33-V46 HydrophobicContact CG2-CG2 3.92Å; L44-V46 HydrophobicContact CD2-CG2 3.87Å |
| 47 | L | 91.1 | Very high | 88.1 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.8 | 175.6 | -57.6 | -176.3 | 0 | 0 | 0 | 107.8 | Y24 V25 F26 T27 V49 F69 F74 | Y24-L47 HydrophobicContact CD1-CD1 4.05Å; Y24-L47 HydrophobicContact CD1-CD2 4.43Å; Y24-L47 HydrophobicContact CD1-CG 4.39Å; Y24-L47 HydrophobicContact CG-CD1 4.48Å; V25-L47 PolarHBondContact O-N 3.28Å; F26-L47 CarbonylContact C-O 3.55Å; F26-L47 VanDerWaalsContact CA-O 3.3Å; F26-L47 WeakPolarHBondContact CA-O 3.49Å; F26-L47 HydrophobicContact CD1-CB 4.02Å; F26-L47 HydrophobicContact CD1-CD1 3.84Å; F26-L47 HydrophobicContact CD2-CD1 4.26Å; F26-L47 HydrophobicContact CE1-CB 4.49Å; F26-L47 HydrophobicContact CE1-CD1 3.54Å; F26-L47 HydrophobicContact CE2-CD1 3.96Å; F26-L47 HydrophobicContact CG-CB 4.29Å; F26-L47 HydrophobicContact CG-CD1 4.23Å; F26-L47 HydrophobicContact CZ-CD1 3.62Å; T27-L47 PolarHBondContact N-O 3.47Å; L47-V49 PolarHBondContact O-N 3.02Å; L47-F69 HydrophobicContact CB-CE1 4.46Å; L47-F69 HydrophobicContact CB-CZ 4.36Å; L47-F69 HydrophobicContact CD1-CD1 3.65Å; L47-F69 HydrophobicContact CD1-CD2 4.47Å; L47-F69 HydrophobicContact CD1-CE1 3.81Å; L47-F69 HydrophobicContact CD1-CG 3.99Å; L47-F69 HydrophobicContact CD1-CZ 4.26Å; L47-F69 HydrophobicContact CD2-CD1 4.16Å; L47-F69 HydrophobicContact CD2-CE1 3.71Å; L47-F69 HydrophobicContact CD2-CZ 4.39Å; L47-F69 HydrophobicContact CG-CD1 4.48Å; L47-F69 HydrophobicContact CG-CE1 4.2Å; L47-F74 HydrophobicContact CD1-CE1 4.49Å; L47-F74 HydrophobicContact CD1-CZ 4.45Å |
| 48 | E | 91.6 | Very high | 87 | Confident | 149 Ų | 149 | 72 Ų | 72 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 126 | 176.7 | -168.9 | 172 | 168.9 | 0 | 0 | 110.1 | T27 P30 | T27-E48 WeakPolarHBondContact O-CA 3.24Å; P30-E48 HydrophobicContact CG-CB 3.88Å; P30-E48 HydrophobicContact CG-CG 3.74Å |
| 49 | V | 87.8 | Confident | 86 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 17% | 0.17 | 36% | 0.361 | C | S | . | . | trans | -136.3 | 153.2 | 176.8 | -67 | 0 | 0 | 0 | 0 | 111.3 | F26 T27 D28 L47 M65 | F26-V49 HydrophobicContact CB-CG2 3.94Å; F26-V49 HydrophobicContact CD1-CG1 3.82Å; T27-V49 PolarHBondContact O-N 3.14Å; D28-V49 VanDerWaalsContact CA-O 3.26Å; D28-V49 WeakPolarHBondContact CA-O 3.32Å; D28-V49 PolarHBondContact N-O 3.36Å; L47-V49 PolarHBondContact O-N 3.02Å; V49-M65 HydrophobicContact CB-CE 4.09Å; V49-M65 HydrophobicContact CB-SD 4.11Å; V49-M65 HydrophobicContact CG1-SD 4.05Å; V49-M65 HydrophobicContact CG2-CE 4.2Å; V49-M65 HydrophobicContact CG2-SD 4.01Å | ||
| 50 | R | 86.2 | Confident | 85.1 | Confident | 122 Ų | 122 | 73 Ų | 73 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | trans | -62.9 | 139.8 | 174.6 | 69.2 | -180 | -62.1 | 155.1 | 15.1 | 111.2 | Y52 A247 | R50-Y52 HydrophobicContact CG-CD2 4.28Å; R50-Y52 HydrophobicContact CG-CE2 3.59Å; R50-A247 PolarHBondContact NH2-O 2.86Å | ||
| 51 | A | 83.4 | Confident | 84.5 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | trans | -72.5 | 161.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D28 | D28-A51 HydrophobicContact CB-CB 3.85Š| ||
| 52 | Y | 78.1 | Confident | 84.1 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | trans | -124.1 | 151.4 | 169.6 | -65.6 | -106.1 | 0 | 0 | 0 | 108.8 | R50 R54 D57 R61 M65 | R50-Y52 HydrophobicContact CG-CD2 4.28Å; R50-Y52 HydrophobicContact CG-CE2 3.59Å; Y52-R54 PolarHBondContact O-N 2.91Å; Y52-D57 HydrophobicContact CD1-CB 4.07Å; Y52-D57 HydrophobicContact CG-CB 4.06Å; Y52-R61 HydrophobicContact CD1-CG 4.32Å; Y52-R61 HydrophobicContact CD2-CB 4.49Å; Y52-R61 HydrophobicContact CD2-CG 4.47Å; Y52-R61 HydrophobicContact CE1-CG 3.86Å; Y52-R61 HydrophobicContact CE2-CB 3.98Å; Y52-R61 HydrophobicContact CE2-CG 4.05Å; Y52-M65 HydrophobicContact CD2-CE 4.49Å; Y52-M65 HydrophobicContact CE2-CE 3.71Å | ||
| 53 | K | 80.1 | Confident | 83.3 | Confident | 199 Ų | 199 | 69.7 Ų | 69.7 | 87% | 0.865 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -73.2 | -27.1 | -172.1 | -65.7 | -176.5 | -180 | 179.7 | 0 | 114 | ||
| 54 | R | 78.6 | Confident | 82.7 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 36% | 0.362 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -103.4 | 137.2 | 178.5 | -56.5 | 169.1 | 66 | -139.5 | 13.9 | 109.2 | Y52 Q56 D57 V58 | Y52-R54 PolarHBondContact O-N 2.91Å; R54-Q56 PolarHBondContact O-N 2.86Å; R54-D57 HydrophobicContact CB-CB 4.28Å; R54-D57 WeakPolarHBondContact CB-OD2 3.48Å; R54-D57 WeakPolarHBondContact CD-OD2 3.34Å; R54-D57 IonicContact CZ-OD1 3.23Å; R54-D57 IonicContact NE-OD1 3.95Å; R54-D57 IonicContact NH1-OD1 2.66Å; R54-D57 PolarHBondContact NH1-OD1 3.36Å; R54-D57 WeakPolarHBondContact O-CB 3.28Å; R54-D57 PolarHBondContact O-N 3.15Å; R54-D57 VanDerWaalsContact O-N 3.15Å; R54-V58 PolarHBondContact O-N 3.31Å; R54-V58 VanDerWaalsContact O-N 3.11Å |
| 55 | W | 76.5 | Confident | 82.2 | Confident | 183 Ų | 183 | 67.9 Ų | 67.9 | 69% | 0.693 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.5 | -28.6 | 176.7 | 69.9 | -100.1 | 0 | 0 | 0 | 112.1 | V58 S59 | W55-V58 PolarHBondContact O-N 3.21Å; W55-S59 WeakPolarHBondContact O-CB 3.21Å; W55-S59 PolarHBondContact O-N 3.28Å |
| 56 | Q | 74.4 | Confident | 81.7 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 172.6 | -61.3 | 89.3 | -18 | 0 | 0 | 110.7 | R54 V58 S59 M60 | R54-Q56 PolarHBondContact O-N 2.86Å; Q56-V58 VanDerWaalsContact C-N 3.34Å; Q56-V58 PolarHBondContact O-N 3.14Å; Q56-S59 PolarHBondContact O-N 2.88Å; Q56-S59 VanDerWaalsContact O-N 3.13Å; Q56-M60 HydrophobicContact CB-CE 4.24Å; Q56-M60 WeakPolarHBondContact O-CG 3.48Å; Q56-M60 PolarHBondContact O-N 2.99Å |
| 57 | D | 75 | Confident | 81.1 | Confident | 37 Ų | 37 | 67 Ų | 67 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.6 | -54.6 | -12.9 | 0 | 0 | 0 | 110.4 | Y52 R54 S59 M60 R61 | Y52-D57 HydrophobicContact CD1-CB 4.07Å; Y52-D57 HydrophobicContact CG-CB 4.06Å; R54-D57 HydrophobicContact CB-CB 4.28Å; R54-D57 WeakPolarHBondContact CB-OD2 3.48Å; R54-D57 WeakPolarHBondContact CD-OD2 3.34Å; R54-D57 IonicContact CZ-OD1 3.23Å; R54-D57 IonicContact NE-OD1 3.95Å; R54-D57 IonicContact NH1-OD1 2.66Å; R54-D57 PolarHBondContact NH1-OD1 3.36Å; R54-D57 WeakPolarHBondContact O-CB 3.28Å; R54-D57 PolarHBondContact O-N 3.15Å; R54-D57 VanDerWaalsContact O-N 3.15Å; D57-S59 VanDerWaalsContact C-N 3.29Å; D57-S59 PolarHBondContact O-N 2.8Å; D57-M60 PolarHBondContact O-N 2.85Å; D57-R61 WeakPolarHBondContact O-CB 3.29Å; D57-R61 WeakPolarHBondContact O-CG 3.45Å; D57-R61 PolarHBondContact O-N 2.85Å |
| 58 | V | 73.3 | Confident | 80.7 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 11% | 0.109 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | R54 W55 Q56 | R54-V58 PolarHBondContact O-N 3.31Å; R54-V58 VanDerWaalsContact O-N 3.11Å; W55-V58 PolarHBondContact O-N 3.21Å; Q56-V58 VanDerWaalsContact C-N 3.34Å; Q56-V58 PolarHBondContact O-N 3.14Å |
| 59 | S | 73.9 | Confident | 80.4 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.1 | -45.2 | 179.9 | -166.2 | 0 | 0 | 0 | 0 | 112.6 | W55 Q56 D57 R62 | W55-S59 WeakPolarHBondContact O-CB 3.21Å; W55-S59 PolarHBondContact O-N 3.28Å; Q56-S59 PolarHBondContact O-N 2.88Å; Q56-S59 VanDerWaalsContact O-N 3.13Å; D57-S59 VanDerWaalsContact C-N 3.29Å; D57-S59 PolarHBondContact O-N 2.8Å; S59-R62 WeakPolarHBondContact O-CB 3.13Å; S59-R62 WeakPolarHBondContact O-CG 3.44Å; S59-R62 PolarHBondContact O-NE 3.31Å; S59-R62 PolarHBondContact OG-NH2 3.08Å |
| 60 | M | 75.4 | Confident | 80.1 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.8 | -40.7 | -177.3 | -66.5 | -174.9 | -63.7 | 0 | 0 | 112.5 | Q56 D57 R62 M63 A219 | Q56-M60 HydrophobicContact CB-CE 4.24Å; Q56-M60 WeakPolarHBondContact O-CG 3.48Å; Q56-M60 PolarHBondContact O-N 2.99Å; D57-M60 PolarHBondContact O-N 2.85Å; M60-R62 PolarHBondContact O-N 2.99Å; M60-M63 PolarHBondContact O-N 3.08Å; M60-M63 VanDerWaalsContact O-N 3.16Å; M60-A219 HydrophobicContact CG-CB 4.21Å |
| 61 | R | 82.6 | Confident | 79.6 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -9.3 | -178.9 | -65.8 | -78.3 | 169 | -178.1 | -6.5 | 113.2 | Y52 D57 M63 E64 M65 | Y52-R61 HydrophobicContact CD1-CG 4.32Å; Y52-R61 HydrophobicContact CD2-CB 4.49Å; Y52-R61 HydrophobicContact CD2-CG 4.47Å; Y52-R61 HydrophobicContact CE1-CG 3.86Å; Y52-R61 HydrophobicContact CE2-CB 3.98Å; Y52-R61 HydrophobicContact CE2-CG 4.05Å; D57-R61 WeakPolarHBondContact O-CB 3.29Å; D57-R61 WeakPolarHBondContact O-CG 3.45Å; D57-R61 PolarHBondContact O-N 2.85Å; R61-M63 VanDerWaalsContact C-N 3.28Å; R61-M63 PolarHBondContact O-N 2.92Å; R61-E64 WeakPolarHBondContact CD-OE2 3.4Å; R61-E64 IonicContact CZ-OE2 3.95Å; R61-E64 IonicContact NE-OE2 2.7Å; R61-E64 IonicContact NH1-OE1 3.65Å; R61-E64 PolarHBondContact NH1-OE1 3.13Å; R61-E64 IonicContact NH1-OE2 3.11Å; R61-E64 PolarHBondContact NH1-OE2 3.43Å; R61-E64 PolarHBondContact O-N 3.36Å; R61-M65 HydrophobicContact CB-CE 4.35Å; R61-M65 WeakPolarHBondContact O-CG 3.29Å; R61-M65 PolarHBondContact O-N 2.9Å |
| 62 | R | 82 | Confident | 79.4 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.8 | -42.4 | 166.8 | -70 | -171.5 | -71.9 | 175.4 | -14.4 | 112.6 | S59 M60 E64 M65 I66 D85 | S59-R62 WeakPolarHBondContact O-CB 3.13Å; S59-R62 WeakPolarHBondContact O-CG 3.44Å; S59-R62 PolarHBondContact O-NE 3.31Å; S59-R62 PolarHBondContact OG-NH2 3.08Å; M60-R62 PolarHBondContact O-N 2.99Å; R62-E64 PolarHBondContact O-N 3.45Å; R62-M65 PolarHBondContact O-N 3.46Å; R62-I66 HydrophobicContact CB-CD1 4.3Å; R62-I66 WeakPolarHBondContact O-CB 3.38Å; R62-I66 WeakPolarHBondContact O-CD1 3.35Å; R62-I66 WeakPolarHBondContact O-CG1 3.13Å; R62-I66 PolarHBondContact O-N 3.46Å; R62-D85 IonicContact CZ-OD1 2.83Å; R62-D85 IonicContact CZ-OD2 2.99Å; R62-D85 VanDerWaalsContact CZ-OD2 3.28Å; R62-D85 IonicContact NH1-OD1 2.89Å; R62-D85 PolarHBondContact NH1-OD1 2.82Å; R62-D85 IonicContact NH1-OD2 3.4Å; R62-D85 PolarHBondContact NH1-OD2 3.19Å; R62-D85 IonicContact NH2-OD1 3.93Å; R62-D85 IonicContact NH2-OD2 2.61Å; R62-D85 PolarHBondContact NH2-OD2 3.26Å |
| 63 | M | 80 | Confident | 79.5 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | -176.4 | -57.2 | -53 | -171.6 | 0 | 0 | 111.6 | M60 R61 I66 S67 F144 C217 | M60-M63 PolarHBondContact O-N 3.08Å; M60-M63 VanDerWaalsContact O-N 3.16Å; R61-M63 VanDerWaalsContact C-N 3.28Å; R61-M63 PolarHBondContact O-N 2.92Å; M63-I66 HydrophobicContact SD-CD1 4.41Å; M63-S67 WeakPolarHBondContact O-CB 3.46Å; M63-S67 PolarHBondContact O-N 3.45Å; M63-F144 HydrophobicContact CE-CE1 3.86Å; M63-F144 HydrophobicContact CE-CE2 4.34Å; M63-F144 HydrophobicContact CE-CZ 3.61Å; M63-F144 HydrophobicContact SD-CE2 4.27Å; M63-F144 HydrophobicContact SD-CZ 3.72Å; M63-C217 HydrophobicContact CE-CB 4.36Å |
| 64 | E | 82.6 | Confident | 79.6 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -51 | 170.9 | -178.4 | -179.7 | -138.1 | 0 | 0 | 110.7 | R61 R62 I66 S67 D68 | R61-E64 WeakPolarHBondContact CD-OE2 3.4Å; R61-E64 IonicContact CZ-OE2 3.95Å; R61-E64 IonicContact NE-OE2 2.7Å; R61-E64 IonicContact NH1-OE1 3.65Å; R61-E64 PolarHBondContact NH1-OE1 3.13Å; R61-E64 IonicContact NH1-OE2 3.11Å; R61-E64 PolarHBondContact NH1-OE2 3.43Å; R61-E64 PolarHBondContact O-N 3.36Å; R62-E64 PolarHBondContact O-N 3.45Å; E64-I66 PolarHBondContact O-N 3.17Å; E64-S67 PolarHBondContact O-N 2.88Å; E64-D68 WeakPolarHBondContact O-CB 3.26Å; E64-D68 PolarHBondContact O-N 2.9Å |
| 65 | M | 83.9 | Confident | 79.3 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 178.5 | -67.6 | 175.4 | -170 | 0 | 0 | 113.5 | F26 V49 Y52 R61 R62 D68 F69 | F26-M65 HydrophobicContact CD1-CB 4.29Å; F26-M65 HydrophobicContact CD1-SD 4.49Å; F26-M65 HydrophobicContact CE1-CB 3.98Å; V49-M65 HydrophobicContact CB-CE 4.09Å; V49-M65 HydrophobicContact CB-SD 4.11Å; V49-M65 HydrophobicContact CG1-SD 4.05Å; V49-M65 HydrophobicContact CG2-CE 4.2Å; V49-M65 HydrophobicContact CG2-SD 4.01Å; Y52-M65 HydrophobicContact CD2-CE 4.49Å; Y52-M65 HydrophobicContact CE2-CE 3.71Å; R61-M65 HydrophobicContact CB-CE 4.35Å; R61-M65 WeakPolarHBondContact O-CG 3.29Å; R61-M65 PolarHBondContact O-N 2.9Å; R62-M65 PolarHBondContact O-N 3.46Å; M65-D68 PolarHBondContact O-N 3.32Å; M65-F69 WeakPolarHBondContact O-CD2 3.2Å; M65-F69 PolarHBondContact O-N 3.42Å |
| 66 | I | 83.6 | Confident | 79.3 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 176.8 | -70.4 | 157.9 | 0 | 0 | 0 | 109.2 | R62 M63 E64 D68 F69 C70 L81 C83 F144 | R62-I66 HydrophobicContact CB-CD1 4.3Å; R62-I66 WeakPolarHBondContact O-CB 3.38Å; R62-I66 WeakPolarHBondContact O-CD1 3.35Å; R62-I66 WeakPolarHBondContact O-CG1 3.13Å; R62-I66 PolarHBondContact O-N 3.46Å; M63-I66 HydrophobicContact SD-CD1 4.41Å; E64-I66 PolarHBondContact O-N 3.17Å; I66-D68 VanDerWaalsContact C-N 3.34Å; I66-D68 PolarHBondContact O-N 3.02Å; I66-F69 PolarHBondContact O-N 3.35Å; I66-C70 WeakPolarHBondContact O-CB 3.38Å; I66-C70 PolarHBondContact O-N 2.82Å; I66-C70 PolarHBondContact O-SG 3.2Å; I66-L81 HydrophobicContact CG2-CD1 4.4Å; I66-L81 HydrophobicContact CG2-CD2 3.99Å; I66-C83 HydrophobicContact CD1-CB 4.37Å; I66-C83 VanDerWaalsContact CD1-SG 3.55Å; I66-F144 HydrophobicContact CD1-CZ 4.15Å |
| 67 | S | 82.4 | Confident | 79.7 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 176 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | M63 E64 F69 C70 E71 | M63-S67 WeakPolarHBondContact O-CB 3.46Å; M63-S67 PolarHBondContact O-N 3.45Å; E64-S67 PolarHBondContact O-N 2.88Å; S67-F69 VanDerWaalsContact C-N 3.32Å; S67-F69 PolarHBondContact O-N 2.84Å; S67-C70 WeakPolarHBondContact O-CB 3.4Å; S67-C70 PolarHBondContact O-N 3.26Å; S67-E71 PolarHBondContact O-N 3.18Å |
| 68 | D | 84.1 | Confident | 80 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 179.2 | -128.2 | 24.1 | 0 | 0 | 0 | 112 | E64 M65 I66 R72 | E64-D68 WeakPolarHBondContact O-CB 3.26Å; E64-D68 PolarHBondContact O-N 2.9Å; M65-D68 PolarHBondContact O-N 3.32Å; I66-D68 VanDerWaalsContact C-N 3.34Å; I66-D68 PolarHBondContact O-N 3.02Å; D68-R72 WeakPolarHBondContact O-CD 3.49Å; D68-R72 WeakPolarHBondContact O-CG 3.34Å; D68-R72 PolarHBondContact O-NE 3.5Å; D68-R72 IonicContact OD1-CZ 3.6Å; D68-R72 IonicContact OD1-NH2 2.73Å; D68-R72 PolarHBondContact OD1-NH2 2.79Å; D68-R72 IonicContact OD2-CZ 3.01Å; D68-R72 IonicContact OD2-NH1 2.78Å; D68-R72 PolarHBondContact OD2-NH1 2.8Å; D68-R72 IonicContact OD2-NH2 3.67Å; D68-R72 PolarHBondContact OD2-NH2 2.93Å |
| 69 | F | 84.6 | Confident | 80.5 | Confident | 39 Ų | 39 | 53 Ų | 53 | 17% | 0.171 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -90.3 | -15.7 | 180 | -82.7 | -91.3 | 0 | 0 | 0 | 114.2 | F26 L47 M65 I66 S67 R73 F74 | F26-F69 HydrophobicContact CE1-CB 4.3Å; F26-F69 AromaticContact CE1-CD2 3.59Å; F26-F69 HydrophobicContact CE1-CD2 3.59Å; F26-F69 HydrophobicContact CE1-CE2 4.05Å; F26-F69 AromaticContact CE1-CG 3.99Å; F26-F69 HydrophobicContact CE1-CG 3.99Å; F26-F69 HydrophobicContact CZ-CB 4.23Å; F26-F69 HydrophobicContact CZ-CD2 4.35Å; F26-F69 HydrophobicContact CZ-CG 4.36Å; L47-F69 HydrophobicContact CB-CE1 4.46Å; L47-F69 HydrophobicContact CB-CZ 4.36Å; L47-F69 HydrophobicContact CD1-CD1 3.65Å; L47-F69 HydrophobicContact CD1-CD2 4.47Å; L47-F69 HydrophobicContact CD1-CE1 3.81Å; L47-F69 HydrophobicContact CD1-CG 3.99Å; L47-F69 HydrophobicContact CD1-CZ 4.26Å; L47-F69 HydrophobicContact CD2-CD1 4.16Å; L47-F69 HydrophobicContact CD2-CE1 3.71Å; L47-F69 HydrophobicContact CD2-CZ 4.39Å; L47-F69 HydrophobicContact CG-CD1 4.48Å; L47-F69 HydrophobicContact CG-CE1 4.2Å; M65-F69 WeakPolarHBondContact O-CD2 3.2Å; M65-F69 PolarHBondContact O-N 3.42Å; I66-F69 PolarHBondContact O-N 3.35Å; S67-F69 VanDerWaalsContact C-N 3.32Å; S67-F69 PolarHBondContact O-N 2.84Å; F69-R73 WeakPolarHBondContact O-CA 3.08Å; F69-R73 WeakPolarHBondContact O-CB 3.37Å; F69-R73 PolarHBondContact O-N 3.23Å; F69-F74 HydrophobicContact CB-CD2 4.47Å; F69-F74 HydrophobicContact CB-CE1 3.88Å; F69-F74 HydrophobicContact CB-CE2 3.82Å; F69-F74 HydrophobicContact CB-CZ 3.5Å; F69-F74 WeakPolarHBondContact O-CG 3.35Å; F69-F74 PolarHBondContact O-N 2.6Å |
| 70 | C | 81.3 | Confident | 81.1 | Confident | 30 Ų | 30 | 53 Ų | 53 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -55.2 | -69.3 | 162.7 | -79.6 | 0 | 0 | 0 | 0 | 109.3 | I66 S67 R72 R73 F74 L75 | I66-C70 WeakPolarHBondContact O-CB 3.38Å; I66-C70 PolarHBondContact O-N 2.82Å; I66-C70 PolarHBondContact O-SG 3.2Å; S67-C70 WeakPolarHBondContact O-CB 3.4Å; S67-C70 PolarHBondContact O-N 3.26Å; C70-R72 VanDerWaalsContact C-N 3.25Å; C70-R72 PolarHBondContact O-N 3.15Å; C70-R73 PolarHBondContact O-N 3.36Å; C70-R73 VanDerWaalsContact O-N 3.15Å; C70-F74 HydrophobicContact CB-CD2 4.46Å; C70-F74 PolarHBondContact O-N 3.08Å; C70-F74 VanDerWaalsContact O-N 3.1Å; C70-L75 HydrophobicContact CB-CD2 4.29Å; C70-L75 WeakPolarHBondContact O-CG 3.26Å; C70-L75 PolarHBondContact O-N 2.73Å |
| 71 | E | 76.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -52.3 | -42.6 | -176.7 | -66.8 | -162.1 | 141.9 | 0 | 0 | 113 | S67 C239 | S67-E71 PolarHBondContact O-N 3.18Å; E71-C239 VanDerWaalsContact OE1-CA 3.32Å; E71-C239 WeakPolarHBondContact OE1-CA 3.28Å |
| 72 | R | 79.5 | Confident | 82 | Confident | 153 Ų | 153 | 47.1 Ų | 47.1 | 58% | 0.577 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -78.8 | -22.3 | -173.7 | -65.8 | 172.1 | -167.1 | 165.9 | 9.4 | 113.9 | D68 C70 | D68-R72 WeakPolarHBondContact O-CD 3.49Å; D68-R72 WeakPolarHBondContact O-CG 3.34Å; D68-R72 PolarHBondContact O-NE 3.5Å; D68-R72 IonicContact OD1-CZ 3.6Å; D68-R72 IonicContact OD1-NH2 2.73Å; D68-R72 PolarHBondContact OD1-NH2 2.79Å; D68-R72 IonicContact OD2-CZ 3.01Å; D68-R72 IonicContact OD2-NH1 2.78Å; D68-R72 PolarHBondContact OD2-NH1 2.8Å; D68-R72 IonicContact OD2-NH2 3.67Å; D68-R72 PolarHBondContact OD2-NH2 2.93Å; C70-R72 VanDerWaalsContact C-N 3.25Å; C70-R72 PolarHBondContact O-N 3.15Å |
| 73 | R | 80.5 | Confident | 82.4 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -155.1 | -52.1 | -163.2 | -162.3 | 166.3 | -173 | -140.1 | -25.2 | 115.7 | H22 Y24 S45 F69 C70 L75 S76 E77 | H22-R73 PolarHBondContact CE1-NH2 2.91Å; Y24-R73 HydrophobicContact CE1-CG 4.32Å; S45-R73 PolarHBondContact OG-NH1 2.82Å; S45-R73 PolarHBondContact OG-NH2 2.91Å; F69-R73 WeakPolarHBondContact O-CA 3.08Å; F69-R73 WeakPolarHBondContact O-CB 3.37Å; F69-R73 PolarHBondContact O-N 3.23Å; C70-R73 PolarHBondContact O-N 3.36Å; C70-R73 VanDerWaalsContact O-N 3.15Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 2.98Å; R73-S76 PolarHBondContact O-N 2.98Å; R73-S76 VanDerWaalsContact O-N 3.12Å; R73-S76 PolarHBondContact O-OG 3.11Å; R73-E77 HydrophobicContact CG-CG 4.33Å; R73-E77 WeakPolarHBondContact CG-OE1 3.37Å; R73-E77 IonicContact CZ-OE1 2.77Å; R73-E77 VanDerWaalsContact CZ-OE1 3.3Å; R73-E77 IonicContact CZ-OE2 2.98Å; R73-E77 IonicContact NE-OE1 2.93Å; R73-E77 PolarHBondContact NE-OE1 3.01Å; R73-E77 IonicContact NE-OE2 3.3Å; R73-E77 PolarHBondContact NE-OE2 2.89Å; R73-E77 VanDerWaalsContact NE-OE2 3.08Å; R73-E77 VanDerWaalsContact NH2-CD 3.25Å; R73-E77 IonicContact NH2-OE1 3.53Å; R73-E77 PolarHBondContact NH2-OE1 2.9Å; R73-E77 IonicContact NH2-OE2 3.56Å; R73-E77 PolarHBondContact NH2-OE2 3.06Å; R73-E77 PolarHBondContact O-N 3.08Å; R73-E77 VanDerWaalsContact O-N 3.15Å |
| 74 | F | 80.6 | Confident | 82.9 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -68.2 | -34.6 | -170.5 | -50.1 | -23 | 0 | 0 | 0 | 111.5 | Y24 F26 L47 F69 C70 S76 E77 V78 L81 L259 | Y24-F74 HydrophobicContact CD1-CD1 4.27Å; Y24-F74 AromaticContact CD1-CE1 3.51Å; Y24-F74 HydrophobicContact CD1-CE1 3.51Å; Y24-F74 HydrophobicContact CD1-CZ 4.37Å; Y24-F74 HydrophobicContact CD2-CE1 4.32Å; Y24-F74 AromaticContact CE1-CD1 3.95Å; Y24-F74 HydrophobicContact CE1-CD1 3.95Å; Y24-F74 AromaticContact CE1-CE1 3.65Å; Y24-F74 HydrophobicContact CE1-CE1 3.65Å; Y24-F74 HydrophobicContact CE2-CE1 4.49Å; Y24-F74 AromaticContact CG-CE1 3.82Å; Y24-F74 HydrophobicContact CG-CE1 3.82Å; Y24-F74 HydrophobicContact CG-CZ 4.35Å; F26-F74 HydrophobicContact CE2-CZ 4.26Å; F26-F74 HydrophobicContact CZ-CE2 4.38Å; F26-F74 AromaticContact CZ-CZ 3.82Å; F26-F74 HydrophobicContact CZ-CZ 3.82Å; L47-F74 HydrophobicContact CD1-CE1 4.49Å; L47-F74 HydrophobicContact CD1-CZ 4.45Å; F69-F74 HydrophobicContact CB-CD2 4.47Å; F69-F74 HydrophobicContact CB-CE1 3.88Å; F69-F74 HydrophobicContact CB-CE2 3.82Å; F69-F74 HydrophobicContact CB-CZ 3.5Å; F69-F74 WeakPolarHBondContact O-CG 3.35Å; F69-F74 PolarHBondContact O-N 2.6Å; C70-F74 HydrophobicContact CB-CD2 4.46Å; C70-F74 PolarHBondContact O-N 3.08Å; C70-F74 VanDerWaalsContact O-N 3.1Å; F74-S76 PolarHBondContact O-N 2.68Å; F74-S76 VanDerWaalsContact O-N 3.15Å; F74-E77 PolarHBondContact O-N 2.93Å; F74-V78 HydrophobicContact CB-CG2 4.18Å; F74-V78 VanDerWaalsContact O-CG2 3.26Å; F74-V78 WeakPolarHBondContact O-CG2 3.3Å; F74-V78 PolarHBondContact O-N 3.24Å; F74-L81 HydrophobicContact CD2-CD1 4.2Å; F74-L81 HydrophobicContact CE2-CD1 4.28Å; F74-L259 HydrophobicContact CB-CD1 3.83Å; F74-L259 HydrophobicContact CD1-CD1 3.35Å; F74-L259 HydrophobicContact CD2-CD1 4.25Å; F74-L259 HydrophobicContact CD2-CD2 4.37Å; F74-L259 HydrophobicContact CE1-CD1 3.91Å; F74-L259 HydrophobicContact CG-CD1 3.55Å; F74-L259 HydrophobicContact CG-CD2 4.38Å |
| 75 | L | 72.9 | Confident | 83.1 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -21.7 | 176.2 | -56.5 | -163.8 | 0 | 0 | 0 | 113.3 | C70 R73 A149 | C70-L75 HydrophobicContact CB-CD2 4.29Å; C70-L75 WeakPolarHBondContact O-CG 3.26Å; C70-L75 PolarHBondContact O-N 2.73Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 2.98Å; L75-A149 HydrophobicContact CB-CB 4.01Å; L75-A149 HydrophobicContact CD1-CB 3.98Å; L75-A149 HydrophobicContact CD2-CB 3.71Å; L75-A149 HydrophobicContact CG-CB 4.06Å |
| 76 | S | 77.7 | Confident | 83.3 | Confident | 68 Ų | 68 | 38.7 Ų | 38.7 | 48% | 0.476 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -105.9 | -14.7 | -178.7 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | R73 F74 R150 | R73-S76 PolarHBondContact O-N 2.98Å; R73-S76 VanDerWaalsContact O-N 3.12Å; R73-S76 PolarHBondContact O-OG 3.11Å; F74-S76 PolarHBondContact O-N 2.68Å; F74-S76 VanDerWaalsContact O-N 3.15Å; S76-R150 VanDerWaalsContact O-CZ 3.28Å; S76-R150 PolarHBondContact O-NE 2.79Å; S76-R150 PolarHBondContact O-NH2 3.42Å |
| 77 | E | 82 | Confident | 83.5 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -106.3 | -24.9 | -176.2 | -71.1 | -177.1 | -170.3 | 0 | 0 | 115.1 | H22 Y24 R73 F74 | H22-E77 IonicContact CE1-OE2 3.63Å; H22-E77 PolarHBondContact CE1-OE2 2.75Å; H22-E77 IonicContact ND1-OE2 3.62Å; H22-E77 IonicContact NE2-OE2 3.28Å; Y24-E77 PolarHBondContact OH-OE2 3.32Å; R73-E77 HydrophobicContact CG-CG 4.33Å; R73-E77 WeakPolarHBondContact CG-OE1 3.37Å; R73-E77 IonicContact CZ-OE1 2.77Å; R73-E77 VanDerWaalsContact CZ-OE1 3.3Å; R73-E77 IonicContact CZ-OE2 2.98Å; R73-E77 IonicContact NE-OE1 2.93Å; R73-E77 PolarHBondContact NE-OE1 3.01Å; R73-E77 IonicContact NE-OE2 3.3Å; R73-E77 PolarHBondContact NE-OE2 2.89Å; R73-E77 VanDerWaalsContact NE-OE2 3.08Å; R73-E77 VanDerWaalsContact NH2-CD 3.25Å; R73-E77 IonicContact NH2-OE1 3.53Å; R73-E77 PolarHBondContact NH2-OE1 2.9Å; R73-E77 IonicContact NH2-OE2 3.56Å; R73-E77 PolarHBondContact NH2-OE2 3.06Å; R73-E77 PolarHBondContact O-N 3.08Å; R73-E77 VanDerWaalsContact O-N 3.15Å; F74-E77 PolarHBondContact O-N 2.93Å |
| 78 | V | 81.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | trans | -146.9 | 167.1 | -167.4 | -59.9 | 0 | 0 | 0 | 0 | 114.9 | H22 F74 R150 L259 P261 | H22-V78 HydrophobicContact CB-CG1 4.4Å; F74-V78 HydrophobicContact CB-CG2 4.18Å; F74-V78 VanDerWaalsContact O-CG2 3.26Å; F74-V78 WeakPolarHBondContact O-CG2 3.3Å; F74-V78 PolarHBondContact O-N 3.24Å; V78-R150 WeakPolarHBondContact O-CD 3.36Å; V78-L259 HydrophobicContact CB-CB 3.89Å; V78-L259 HydrophobicContact CB-CD1 4.14Å; V78-L259 HydrophobicContact CG1-CB 3.54Å; V78-L259 HydrophobicContact CG1-CD1 3.79Å; V78-L259 HydrophobicContact CG1-CG 4.28Å; V78-L259 HydrophobicContact CG2-CB 3.76Å; V78-L259 HydrophobicContact CG2-CD1 3.32Å; V78-L259 HydrophobicContact CG2-CD2 4.06Å; V78-L259 HydrophobicContact CG2-CG 3.9Å; V78-P261 HydrophobicContact CG1-CG 4.04Å | ||
| 79 | D | 83.8 | Confident | 83.8 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -106.2 | -29.4 | -176.5 | -49.5 | -64.8 | 0 | 0 | 0 | 113.1 | V147 G148 R150 C260 P261 S262 | D79-V147 VanDerWaalsContact O-CG2 3.29Å; D79-V147 WeakPolarHBondContact O-CG2 3.39Å; D79-G148 PolarHBondContact O-N 3.06Å; D79-R150 WeakPolarHBondContact OD1-CB 3.39Å; D79-C260 PolarHBondContact N-O 3.16Å; D79-P261 VanDerWaalsContact OD2-CA 3.29Å; D79-P261 WeakPolarHBondContact OD2-CA 3.26Å; D79-S262 PolarHBondContact OD2-N 2.99Å; D79-S262 PolarHBondContact OD2-OG 3.01Å |
| 80 | Y | 85.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 42 Ų | 42 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.3 | 175.1 | -64.9 | -90.4 | 0 | 0 | 0 | 113.6 | L99 G146 V147 H155 L259 C260 | Y80-L99 HydrophobicContact CD1-CB 4.11Å; Y80-L99 HydrophobicContact CD1-CD2 4.13Å; Y80-L99 HydrophobicContact CD2-CB 4.47Å; Y80-L99 HydrophobicContact CD2-CD1 3.99Å; Y80-L99 HydrophobicContact CD2-CD2 4.4Å; Y80-L99 HydrophobicContact CE1-CB 4.04Å; Y80-L99 HydrophobicContact CE2-CB 4.4Å; Y80-L99 HydrophobicContact CE2-CD1 4.32Å; Y80-L99 HydrophobicContact CG-CB 4.33Å; Y80-L99 HydrophobicContact CG-CD1 4.28Å; Y80-L99 HydrophobicContact CG-CD2 3.86Å; Y80-L99 HydrophobicContact CG-CG 4.38Å; Y80-G146 WeakPolarHBondContact CA-O 3.47Å; Y80-V147 HydrophobicContact CD1-CB 4.13Å; Y80-V147 HydrophobicContact CD1-CG2 4.13Å; Y80-V147 HydrophobicContact CE1-CB 4.07Å; Y80-V147 HydrophobicContact CE1-CG2 3.89Å; Y80-H155 AromaticContact CZ-NE2 3.89Å; Y80-H155 PolarHBondContact OH-NE2 3.09Å; Y80-L259 WeakPolarHBondContact O-CA 3.23Å; Y80-C260 PolarHBondContact N-O 3.11Å; Y80-C260 VanDerWaalsContact N-O 3.13Å; Y80-C260 PolarHBondContact O-N 3.25Å |
| 81 | L | 87.4 | Confident | 84.6 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.7 | 178 | 167.8 | 81 | 0 | 0 | 0 | 110.4 | I66 F74 C83 G145 G146 L259 | I66-L81 HydrophobicContact CG2-CD1 4.4Å; I66-L81 HydrophobicContact CG2-CD2 3.99Å; F74-L81 HydrophobicContact CD2-CD1 4.2Å; F74-L81 HydrophobicContact CE2-CD1 4.28Å; L81-C83 VanDerWaalsContact CD1-SG 3.53Å; L81-G145 CarbonylContact O-C 3.52Å; L81-G145 WeakPolarHBondContact O-CA 3.37Å; L81-G146 PolarHBondContact N-O 2.99Å; L81-G146 PolarHBondContact O-N 3.25Å; L81-L259 HydrophobicContact CB-CD2 3.72Å; L81-L259 HydrophobicContact CD1-CD2 3.27Å; L81-L259 HydrophobicContact CG-CD2 4.05Å |
| 82 | V | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 104.4 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 109 | F15 V84 I98 L99 F103 F143 F258 | F15-V82 HydrophobicContact CE2-CB 4.42Å; F15-V82 HydrophobicContact CE2-CG1 4.01Å; F15-V82 HydrophobicContact CE2-CG2 4.48Å; F15-V82 HydrophobicContact CZ-CB 4.09Å; F15-V82 HydrophobicContact CZ-CG1 4.16Å; F15-V82 HydrophobicContact CZ-CG2 4.18Å; V82-V84 HydrophobicContact CG1-CG2 3.8Å; V82-I98 HydrophobicContact CG1-CD1 4.23Å; V82-I98 HydrophobicContact CG2-CD1 4.24Å; V82-L99 HydrophobicContact CG2-CD2 4.36Å; V82-F103 HydrophobicContact CG1-CZ 4.24Å; V82-F103 HydrophobicContact CG2-CE1 4.34Å; V82-F103 HydrophobicContact CG2-CZ 4.13Å; V82-F143 HydrophobicContact CG1-CE2 3.94Å; V82-F143 HydrophobicContact CG1-CZ 4.17Å; V82-F258 CarbonylContact C-O 3.52Å; V82-F258 WeakPolarHBondContact CA-O 3.28Å; V82-F258 HydrophobicContact CB-CB 4.28Å; V82-F258 PolarHBondContact N-O 3.14Å; V82-F258 WeakPolarHBondContact O-CA 3.5Å; V82-F258 WeakPolarHBondContact O-CB 3.41Å; V82-F258 PolarHBondContact O-N 2.88Å |
| 83 | C | 89.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.3 | -178.8 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | I66 L81 F143 F144 | I66-C83 HydrophobicContact CD1-CB 4.37Å; I66-C83 VanDerWaalsContact CD1-SG 3.55Å; L81-C83 VanDerWaalsContact CD1-SG 3.53Å; C83-F143 WeakPolarHBondContact O-CA 3.44Å; C83-F144 HydrophobicContact CB-CD1 4.13Å; C83-F144 HydrophobicContact CB-CD2 3.94Å; C83-F144 HydrophobicContact CB-CE1 3.69Å; C83-F144 HydrophobicContact CB-CE2 3.48Å; C83-F144 VanDerWaalsContact CB-CE2 3.48Å; C83-F144 HydrophobicContact CB-CG 4.25Å; C83-F144 HydrophobicContact CB-CZ 3.34Å; C83-F144 PolarHBondContact N-O 2.74Å; C83-F144 PolarHBondContact O-N 3.44Å |
| 84 | V | 89.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.8 | -175.9 | -167.5 | 0 | 0 | 0 | 0 | 110 | F7 V82 M88 G142 F143 L256 F258 | F7-V84 HydrophobicContact CE2-CG1 4.23Å; F7-V84 HydrophobicContact CZ-CB 4.17Å; F7-V84 HydrophobicContact CZ-CG1 4.12Å; V82-V84 HydrophobicContact CG1-CG2 3.8Å; V84-M88 HydrophobicContact CG1-SD 3.82Å; V84-G142 CarbonylContact C-O 3.5Å; V84-G142 VanDerWaalsContact CA-O 3.28Å; V84-G142 WeakPolarHBondContact CA-O 3.44Å; V84-F143 HydrophobicContact CB-CD1 4.42Å; V84-F143 HydrophobicContact CG1-CD1 3.7Å; V84-F143 HydrophobicContact CG1-CE1 4.12Å; V84-F143 HydrophobicContact CG1-CG 4.37Å; V84-F143 HydrophobicContact CG2-CD1 3.89Å; V84-F143 HydrophobicContact CG2-CD2 4.4Å; V84-F143 HydrophobicContact CG2-CE1 3.85Å; V84-F143 HydrophobicContact CG2-CE2 4.35Å; V84-F143 HydrophobicContact CG2-CG 4.18Å; V84-F143 HydrophobicContact CG2-CZ 4.08Å; V84-L256 VanDerWaalsContact O-O 3.11Å; V84-F258 HydrophobicContact CB-CD2 4.22Å; V84-F258 HydrophobicContact CB-CE2 3.96Å; V84-F258 HydrophobicContact CG2-CD2 4.04Å; V84-F258 HydrophobicContact CG2-CE2 4.18Å |
| 85 | D | 87.6 | Confident | 87.2 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | trans | -73.5 | 141.8 | 173 | -101.2 | -54.7 | 0 | 0 | 0 | 112.8 | F7 R62 D87 M88 G142 K255 | F7-D85 WeakPolarHBondContact CE2-O 3.22Å; F7-D85 WeakPolarHBondContact CZ-O 3.17Å; R62-D85 IonicContact CZ-OD1 2.83Å; R62-D85 IonicContact CZ-OD2 2.99Å; R62-D85 VanDerWaalsContact CZ-OD2 3.28Å; R62-D85 IonicContact NH1-OD1 2.89Å; R62-D85 PolarHBondContact NH1-OD1 2.82Å; R62-D85 IonicContact NH1-OD2 3.4Å; R62-D85 PolarHBondContact NH1-OD2 3.19Å; R62-D85 IonicContact NH2-OD1 3.93Å; R62-D85 IonicContact NH2-OD2 2.61Å; R62-D85 PolarHBondContact NH2-OD2 3.26Å; D85-D87 VanDerWaalsContact C-N 3.32Å; D85-D87 PolarHBondContact O-N 3.48Å; D85-M88 HydrophobicContact CB-CE 4.02Å; D85-M88 WeakPolarHBondContact O-CG 3.3Å; D85-G142 PolarHBondContact N-O 3.19Å; D85-G142 WeakPolarHBondContact OD2-CA 3.16Å; D85-K255 WeakPolarHBondContact OD1-CD 3.5Å; D85-K255 WeakPolarHBondContact OD1-CE 3.16Å; D85-K255 IonicContact OD1-NZ 3.89Å; D85-K255 PolarHBondContact OD1-NZ 2.87Å | ||
| 86 | V | 88.7 | Confident | 88 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -79.2 | -17 | -167.4 | 76.7 | 0 | 0 | 0 | 0 | 113.6 | F3 L4 F7 M88 K255 L256 | F3-V86 WeakPolarHBondContact CB-O 3.31Å; F3-V86 HydrophobicContact CD2-CG1 4.4Å; L4-V86 HydrophobicContact CD2-CG2 3.54Å; L4-V86 HydrophobicContact CG-CG2 4.14Å; F7-V86 HydrophobicContact CD1-CB 4.38Å; F7-V86 HydrophobicContact CD1-CG2 3.68Å; F7-V86 HydrophobicContact CE1-CB 4.14Å; F7-V86 HydrophobicContact CE1-CG2 3.85Å; V86-M88 PolarHBondContact O-N 3.23Å; V86-K255 HydrophobicContact CB-CB 4.45Å; V86-K255 HydrophobicContact CB-CG 4.49Å; V86-K255 HydrophobicContact CG1-CB 4.33Å; V86-K255 HydrophobicContact CG1-CG 3.87Å; V86-L256 HydrophobicContact CG2-CB 4.49Å |
| 87 | D | 86.3 | Confident | 88.5 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -85.6 | 32.6 | 178.5 | 39.3 | -51.7 | 0 | 0 | 0 | 112.5 | F3 D85 K255 | F3-D87 HydrophobicContact CD2-CB 3.93Å; F3-D87 HydrophobicContact CE2-CB 3.95Å; F3-D87 HydrophobicContact CG-CB 4.25Å; F3-D87 HydrophobicContact CZ-CB 4.29Å; D85-D87 VanDerWaalsContact C-N 3.32Å; D85-D87 PolarHBondContact O-N 3.48Å; D87-K255 IonicContact OD1-NZ 3.69Å |
| 88 | M | 84.7 | Confident | 88.7 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 26% | 0.261 | 21% | 0.209 | S | C | . | . | trans | -122.6 | 172.5 | 177.3 | -60.1 | -170.3 | -179.9 | 0 | 0 | 111.5 | F7 V84 D85 V86 L140 | F7-M88 HydrophobicContact CD2-CB 4.48Å; F7-M88 VanDerWaalsContact CD2-O 3.24Å; F7-M88 WeakPolarHBondContact CD2-O 3.43Å; F7-M88 HydrophobicContact CE2-CB 4.11Å; V84-M88 HydrophobicContact CG1-SD 3.82Å; D85-M88 HydrophobicContact CB-CE 4.02Å; D85-M88 WeakPolarHBondContact O-CG 3.3Å; V86-M88 PolarHBondContact O-N 3.23Å; M88-L140 HydrophobicContact CE-CD2 4.45Å | ||
| 89 | E | 89.2 | Confident | 89 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | trans | -140.3 | 149.2 | 168.1 | 65 | 176.2 | 178.8 | 0 | 0 | 110 | L6 T10 R91 | L6-E89 HydrophobicContact CD2-CB 4.34Å; L6-E89 HydrophobicContact CG-CB 4.15Å; T10-E89 HydrophobicContact CG2-CB 4.32Å; E89-R91 HydrophobicContact CG-CG 4.21Å; E89-R91 IonicContact OE1-CZ 3.86Å; E89-R91 IonicContact OE1-NE 3.21Å; E89-R91 PolarHBondContact OE1-NE 2.94Å; E89-R91 IonicContact OE1-NH2 3.16Å; E89-R91 PolarHBondContact OE1-NH2 3.21Å | ||
| 90 | F | 91.5 | Very high | 88.9 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | trans | -87.2 | 133 | 173.2 | -60.3 | -99.9 | 0 | 0 | 0 | 109.5 | F7 T10 A11 H14 F15 V94 F258 | F7-F90 HydrophobicContact CD2-CD2 4.4Å; F7-F90 AromaticContact CD2-CE2 3.95Å; F7-F90 HydrophobicContact CD2-CE2 3.95Å; F7-F90 AromaticContact CE2-CE2 3.79Å; F7-F90 HydrophobicContact CE2-CE2 3.79Å; F7-F90 HydrophobicContact CE2-CZ 4.43Å; T10-F90 VanDerWaalsContact CB-O 3.25Å; T10-F90 WeakPolarHBondContact CB-O 3.11Å; T10-F90 WeakPolarHBondContact CG2-O 3.31Å; T10-F90 PolarHBondContact OG1-N 3.26Å; T10-F90 VanDerWaalsContact OG1-N 3.1Å; A11-F90 HydrophobicContact CB-CD2 3.85Å; A11-F90 HydrophobicContact CB-CE2 3.73Å; A11-F90 HydrophobicContact CB-CZ 4.48Å; H14-F90 HydrophobicContact CB-CB 3.71Å; H14-F90 PolarHBondContact CD2-O 2.82Å; F15-F90 HydrophobicContact CB-CD1 4.22Å; F15-F90 HydrophobicContact CB-CE1 3.97Å; F15-F90 HydrophobicContact CB-CZ 4.23Å; F15-F90 AromaticContact CD2-CE1 3.84Å; F15-F90 HydrophobicContact CD2-CE1 3.84Å; F15-F90 HydrophobicContact CD2-CZ 4.22Å; F15-F90 HydrophobicContact CG-CE1 4.2Å; F15-F90 HydrophobicContact CG-CZ 4.33Å; F90-V94 HydrophobicContact CD1-CB 4.38Å; F90-V94 HydrophobicContact CD1-CG2 4.08Å; F90-V94 HydrophobicContact CE1-CB 4.47Å; F90-V94 HydrophobicContact CE1-CG2 4.44Å; F90-F258 HydrophobicContact CE2-CE1 4.18Å; F90-F258 AromaticContact CE2-CZ 3.96Å; F90-F258 HydrophobicContact CE2-CZ 3.96Å; F90-F258 HydrophobicContact CZ-CE1 4.24Å; F90-F258 HydrophobicContact CZ-CZ 4.09Å | ||
| 91 | R | 90.9 | Very high | 89 | Confident | 152 Ų | 152 | 43.5 Ų | 43.5 | 57% | 0.574 | 22% | 0.215 | S | C | * | . | trans | -119.4 | -16.7 | -177.6 | -67.6 | -175.3 | 173.9 | 171.1 | 2.1 | 114.4 | E89 | E89-R91 HydrophobicContact CG-CG 4.21Å; E89-R91 IonicContact OE1-CZ 3.86Å; E89-R91 IonicContact OE1-NE 3.21Å; E89-R91 PolarHBondContact OE1-NE 2.94Å; E89-R91 IonicContact OE1-NH2 3.16Å; E89-R91 PolarHBondContact OE1-NH2 3.21Å | ||
| 92 | D | 94.3 | Very high | 88.9 | Confident | 99 Ų | 99 | 44.3 Ų | 44.3 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -153.7 | 170 | -177.8 | -151.3 | -20.6 | 0 | 0 | 0 | 108.4 | H14 | H14-D92 WeakPolarHBondContact CB-O 3.45Š|
| 93 | H | 93.3 | Very high | 88.7 | Confident | 107 Ų | 107 | 44.4 Ų | 44.4 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | trans | -50.6 | 134.4 | -177.3 | 173.7 | 89.7 | 0 | 0 | 0 | 113.8 | G95 E97 | H93-G95 WeakPolarHBondContact NE2-CA 3.46Å; H93-G95 PolarHBondContact NE2-N 3.24Å; H93-G95 VanDerWaalsContact NE2-N 3.19Å; H93-E97 IonicContact CD2-OE1 2.68Å; H93-E97 PolarHBondContact CD2-OE1 3.38Å; H93-E97 IonicContact CD2-OE2 3.65Å; H93-E97 IonicContact CE1-OE2 3.08Å; H93-E97 VanDerWaalsContact NE2-CD 3.31Å; H93-E97 IonicContact NE2-OE1 3.18Å; H93-E97 PolarHBondContact NE2-OE1 2.91Å; H93-E97 VanDerWaalsContact NE2-OE1 3.16Å; H93-E97 IonicContact NE2-OE2 3.15Å; H93-E97 PolarHBondContact NE2-OE2 2.94Å | ||
| 94 | V | 93.4 | Very high | 88.5 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -140.1 | 93.2 | 168.8 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | H14 F15 M16 F90 I98 F143 | H14-V94 PolarHBondContact O-N 3.23Å; F15-V94 CarbonylContact C-O 3.53Å; F15-V94 WeakPolarHBondContact CA-O 3.23Å; F15-V94 HydrophobicContact CD2-CB 4.34Å; F15-V94 HydrophobicContact CD2-CG1 4.03Å; F15-V94 HydrophobicContact CE2-CG1 4.39Å; M16-V94 PolarHBondContact N-O 3.01Å; F90-V94 HydrophobicContact CD1-CB 4.38Å; F90-V94 HydrophobicContact CD1-CG2 4.08Å; F90-V94 HydrophobicContact CE1-CB 4.47Å; F90-V94 HydrophobicContact CE1-CG2 4.44Å; V94-I98 HydrophobicContact CG1-CD1 3.89Å; V94-F143 HydrophobicContact CG1-CZ 4.15Å |
| 95 | G | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -116.7 | -152.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M16 H93 E97 I98 | M16-G95 WeakPolarHBondContact CE-O 3.32Å; H93-G95 WeakPolarHBondContact NE2-CA 3.46Å; H93-G95 PolarHBondContact NE2-N 3.24Å; H93-G95 VanDerWaalsContact NE2-N 3.19Å; G95-E97 WeakPolarHBondContact CA-OE2 3.13Å; G95-E97 PolarHBondContact N-OE1 3.49Å; G95-E97 PolarHBondContact N-OE2 3.46Å; G95-E97 PolarHBondContact O-N 3.14Å; G95-I98 WeakPolarHBondContact O-CG1 3.4Å; G95-I98 PolarHBondContact O-N 3.1Å | ||
| 96 | V | 89.7 | Confident | 88.5 | Confident | 69 Ų | 69 | 44.7 Ų | 44.7 | 42% | 0.418 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -64.8 | -11.3 | -173 | -63.4 | 0 | 0 | 0 | 0 | 114.5 | M16 H19 I98 L99 | M16-V96 HydrophobicContact SD-CG1 4.22Å; H19-V96 WeakPolarHBondContact CE1-CG1 3.45Å; V96-I98 PolarHBondContact O-N 3.48Å; V96-I98 VanDerWaalsContact O-N 3.13Å; V96-L99 HydrophobicContact CB-CD1 4.06Å; V96-L99 HydrophobicContact CB-CG 4.5Å; V96-L99 HydrophobicContact CG1-CD1 3.87Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 PolarHBondContact O-N 3.44Å |
| 97 | E | 89.6 | Confident | 88.4 | Confident | 100 Ų | 100 | 47 Ų | 47 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -66 | -7.2 | 176.9 | 71.9 | -73 | 166.3 | 0 | 0 | 115.1 | H93 G95 Q182 | H93-E97 IonicContact CD2-OE1 2.68Å; H93-E97 PolarHBondContact CD2-OE1 3.38Å; H93-E97 IonicContact CD2-OE2 3.65Å; H93-E97 IonicContact CE1-OE2 3.08Å; H93-E97 VanDerWaalsContact NE2-CD 3.31Å; H93-E97 IonicContact NE2-OE1 3.18Å; H93-E97 PolarHBondContact NE2-OE1 2.91Å; H93-E97 VanDerWaalsContact NE2-OE1 3.16Å; H93-E97 IonicContact NE2-OE2 3.15Å; H93-E97 PolarHBondContact NE2-OE2 2.94Å; G95-E97 WeakPolarHBondContact CA-OE2 3.13Å; G95-E97 PolarHBondContact N-OE1 3.49Å; G95-E97 PolarHBondContact N-OE2 3.46Å; G95-E97 PolarHBondContact O-N 3.14Å; E97-Q182 PolarHBondContact O-OE1 2.91Å |
| 98 | I | 86.1 | Confident | 88.3 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -100.1 | -0.1 | 169.5 | 70.3 | 168.8 | 0 | 0 | 0 | 113.7 | M16 V82 V94 G95 V96 F103 F143 P184 | M16-I98 HydrophobicContact CE-CD1 3.95Å; M16-I98 HydrophobicContact CE-CG1 3.74Å; V82-I98 HydrophobicContact CG1-CD1 4.23Å; V82-I98 HydrophobicContact CG2-CD1 4.24Å; V94-I98 HydrophobicContact CG1-CD1 3.89Å; G95-I98 WeakPolarHBondContact O-CG1 3.4Å; G95-I98 PolarHBondContact O-N 3.1Å; V96-I98 PolarHBondContact O-N 3.48Å; V96-I98 VanDerWaalsContact O-N 3.13Å; I98-F103 HydrophobicContact CD1-CE1 4.49Å; I98-F103 HydrophobicContact CD1-CE2 4.41Å; I98-F103 HydrophobicContact CD1-CZ 3.91Å; I98-F103 HydrophobicContact CG1-CZ 4.42Å; I98-F103 WeakPolarHBondContact O-CD1 3.42Å; I98-F103 WeakPolarHBondContact O-CE1 3.36Å; I98-F143 HydrophobicContact CD1-CE2 3.9Å; I98-F143 HydrophobicContact CD1-CZ 4.06Å; I98-P184 HydrophobicContact CB-CG 4.42Å; I98-P184 HydrophobicContact CG2-CB 4.43Å; I98-P184 HydrophobicContact CG2-CG 4.23Å |
| 99 | L | 86.3 | Confident | 88.4 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | trans | -89.2 | 118.7 | -172.4 | -60.3 | -176.6 | 0 | 0 | 0 | 111.9 | M16 Y80 V82 V96 | M16-L99 HydrophobicContact CE-CD1 4.21Å; M16-L99 HydrophobicContact CE-CD2 3.69Å; M16-L99 HydrophobicContact CE-CG 3.92Å; M16-L99 HydrophobicContact SD-CD1 4.23Å; Y80-L99 HydrophobicContact CD1-CB 4.11Å; Y80-L99 HydrophobicContact CD1-CD2 4.13Å; Y80-L99 HydrophobicContact CD2-CB 4.47Å; Y80-L99 HydrophobicContact CD2-CD1 3.99Å; Y80-L99 HydrophobicContact CD2-CD2 4.4Å; Y80-L99 HydrophobicContact CE1-CB 4.04Å; Y80-L99 HydrophobicContact CE2-CB 4.4Å; Y80-L99 HydrophobicContact CE2-CD1 4.32Å; Y80-L99 HydrophobicContact CG-CB 4.33Å; Y80-L99 HydrophobicContact CG-CD1 4.28Å; Y80-L99 HydrophobicContact CG-CD2 3.86Å; Y80-L99 HydrophobicContact CG-CG 4.38Å; V82-L99 HydrophobicContact CG2-CD2 4.36Å; V96-L99 HydrophobicContact CB-CD1 4.06Å; V96-L99 HydrophobicContact CB-CG 4.5Å; V96-L99 HydrophobicContact CG1-CD1 3.87Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 PolarHBondContact O-N 3.44Å | ||
| 100 | T | 82.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -159.8 | 162.8 | -174.7 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | L102 F103 Q182 | T100-L102 VanDerWaalsContact C-N 3.26Å; T100-L102 PolarHBondContact O-N 3.02Å; T100-F103 HydrophobicContact CG2-CB 3.65Å; T100-F103 HydrophobicContact CG2-CD1 4.02Å; T100-F103 HydrophobicContact CG2-CG 4.3Å; T100-Q182 HydrophobicContact CG2-CB 3.84Å; T100-Q182 HydrophobicContact CG2-CG 3.87Å |
| 101 | P | 85.8 | Confident | 88.1 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 25% | 0.247 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -48 | -41.1 | 175.3 | -34 | 38.7 | 0 | 0 | 0 | 115.4 | G146 V147 E181 | P101-G146 CarbonylContact O-C 3.56Å; P101-G146 WeakPolarHBondContact O-CA 3.2Å; P101-V147 HydrophobicContact CB-CG1 4.27Å; P101-V147 PolarHBondContact O-N 3.28Å; P101-E181 VanDerWaalsContact CD-OE2 3.29Å; P101-E181 WeakPolarHBondContact CD-OE2 3.48Å |
| 102 | L | 85.7 | Confident | 88 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 130.5 | 175.6 | -179.2 | 64.7 | 0 | 0 | 0 | 110.8 | T100 P180 E181 V215 W236 | T100-L102 VanDerWaalsContact C-N 3.26Å; T100-L102 PolarHBondContact O-N 3.02Å; L102-P180 HydrophobicContact CG-CB 4.41Å; L102-P180 CarbonylContact O-C 3.59Å; L102-P180 WeakPolarHBondContact O-CA 3.41Å; L102-E181 PolarHBondContact O-N 3.47Å; L102-V215 HydrophobicContact CD2-CG2 4.48Å; L102-W236 HydrophobicContact CD1-CZ2 4.37Å |
| 103 | F | 87.9 | Confident | 87.8 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.7 | 171.6 | 71.6 | -92.1 | 0 | 0 | 0 | 113.5 | V82 I98 T100 F143 F144 G145 Q182 P184 | V82-F103 HydrophobicContact CG1-CZ 4.24Å; V82-F103 HydrophobicContact CG2-CE1 4.34Å; V82-F103 HydrophobicContact CG2-CZ 4.13Å; I98-F103 HydrophobicContact CD1-CE1 4.49Å; I98-F103 HydrophobicContact CD1-CE2 4.41Å; I98-F103 HydrophobicContact CD1-CZ 3.91Å; I98-F103 HydrophobicContact CG1-CZ 4.42Å; I98-F103 WeakPolarHBondContact O-CD1 3.42Å; I98-F103 WeakPolarHBondContact O-CE1 3.36Å; T100-F103 HydrophobicContact CG2-CB 3.65Å; T100-F103 HydrophobicContact CG2-CD1 4.02Å; T100-F103 HydrophobicContact CG2-CG 4.3Å; F103-F143 AromaticContact CE2-CD2 3.86Å; F103-F143 HydrophobicContact CE2-CD2 3.86Å; F103-F143 AromaticContact CE2-CE2 3.76Å; F103-F143 HydrophobicContact CE2-CE2 3.76Å; F103-F143 HydrophobicContact CZ-CE2 4.16Å; F103-F144 VanDerWaalsContact CE2-C 3.49Å; F103-G145 VanDerWaalsContact CD1-C 3.49Å; F103-G145 VanDerWaalsContact CE1-C 3.46Å; F103-G145 PolarHBondContact N-O 2.87Å; F103-G145 PolarHBondContact O-N 3.4Å; F103-G145 VanDerWaalsContact O-N 3.13Å; F103-Q182 WeakPolarHBondContact CA-O 3.21Å; F103-Q182 WeakPolarHBondContact CB-O 2.89Å; F103-P184 HydrophobicContact CB-CG 4.3Å; F103-P184 HydrophobicContact CD2-CG 3.99Å; F103-P184 HydrophobicContact CG-CG 4.39Å |
| 104 | G | 84.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 105 | T | 88.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 138.7 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 111 | Y139 L140 F143 A186 | T105-Y139 CarbonylContact O-C 3.46Å; T105-Y139 WeakPolarHBondContact O-CA 3.18Å; T105-L140 HydrophobicContact CG2-CD2 4.36Å; T105-L140 PolarHBondContact O-N 3.45Å; T105-F143 VanDerWaalsContact CB-O 3.3Å; T105-F143 WeakPolarHBondContact CB-O 3.49Å; T105-F143 HydrophobicContact CG2-CB 4.37Å; T105-F143 PolarHBondContact N-O 3.07Å; T105-F143 WeakPolarHBondContact OG1-CD2 3.35Å; T105-F143 PolarHBondContact OG1-O 2.89Å; T105-A186 HydrophobicContact CG2-CB 4.48Å |
| 106 | L | 89.1 | Confident | 87.9 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 141.3 | 174.1 | -64.9 | -179.5 | 0 | 0 | 0 | 111.6 | F137 V183 P184 A186 | L106-F137 HydrophobicContact CD2-CB 3.59Å; L106-F137 HydrophobicContact CD2-CD1 3.54Å; L106-F137 HydrophobicContact CD2-CD2 4.4Å; L106-F137 HydrophobicContact CD2-CE1 4.32Å; L106-F137 HydrophobicContact CD2-CG 3.59Å; L106-V183 HydrophobicContact CD1-CG1 4.37Å; L106-V183 HydrophobicContact CD2-CG1 3.43Å; L106-V183 VanDerWaalsContact CD2-CG1 3.43Å; L106-V183 HydrophobicContact CG-CG1 3.64Å; L106-P184 PolarHBondContact N-O 2.92Å; L106-A186 WeakPolarHBondContact O-CB 2.89Å |
| 107 | H | 87.8 | Confident | 88.1 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 124.7 | 173.6 | -168.5 | -89.3 | 0 | 0 | 0 | 111.3 | G109 F110 Y111 Y138 | H107-G109 PolarHBondContact ND1-N 3.36Å; H107-G109 VanDerWaalsContact ND1-N 3.14Å; H107-G109 PolarHBondContact O-N 2.93Å; H107-G109 VanDerWaalsContact O-N 3.11Å; H107-F110 HydrophobicContact CB-CB 4.47Å; H107-F110 HydrophobicContact CB-CD2 4.29Å; H107-F110 AromaticContact CG-CD2 3.96Å; H107-F110 AromaticContact ND1-CD2 3.36Å; H107-F110 WeakPolarHBondContact ND1-CD2 3.19Å; H107-F110 AromaticContact ND1-CE2 3.97Å; H107-F110 PolarHBondContact O-N 2.95Å; H107-Y111 PolarHBondContact O-N 3.18Å; H107-Y111 VanDerWaalsContact O-N 3.08Å; H107-Y138 HydrophobicContact CB-CD1 3.61Å; H107-Y138 HydrophobicContact CB-CE1 4.3Å; H107-Y138 WeakPolarHBondContact CB-O 3.49Å; H107-Y138 AromaticContact CG-CD1 3.86Å; H107-Y138 PolarHBondContact N-O 3.39Å |
| 108 | P | 82.8 | Confident | 88.3 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.5 | -174.4 | 21.7 | -29.3 | 0 | 0 | 0 | 114 | Y111 A186 T189 | P108-Y111 VanDerWaalsContact O-CD1 3.26Å; P108-Y111 WeakPolarHBondContact O-CD1 3.34Å; P108-Y111 WeakPolarHBondContact O-CE1 3.19Å; P108-A186 HydrophobicContact CB-CB 3.94Å; P108-A186 HydrophobicContact CG-CB 4.28Å; P108-T189 WeakPolarHBondContact CG-OG1 3.45Å |
| 109 | G | 87.9 | Confident | 88.7 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -8.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | H107 | H107-G109 PolarHBondContact ND1-N 3.36Å; H107-G109 VanDerWaalsContact ND1-N 3.14Å; H107-G109 PolarHBondContact O-N 2.93Å; H107-G109 VanDerWaalsContact O-N 3.11Å |
| 110 | F | 87.2 | Confident | 89 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -4.6 | -171.8 | -68.7 | -71.3 | 0 | 0 | 0 | 115.6 | H107 G112 S113 A117 F118 T119 Y138 | H107-F110 HydrophobicContact CB-CB 4.47Å; H107-F110 HydrophobicContact CB-CD2 4.29Å; H107-F110 AromaticContact CG-CD2 3.96Å; H107-F110 AromaticContact ND1-CD2 3.36Å; H107-F110 WeakPolarHBondContact ND1-CD2 3.19Å; H107-F110 AromaticContact ND1-CE2 3.97Å; H107-F110 PolarHBondContact O-N 2.95Å; F110-G112 PolarHBondContact O-N 3.15Å; F110-S113 WeakPolarHBondContact O-CB 3.36Å; F110-S113 PolarHBondContact O-N 3.02Å; F110-A117 WeakPolarHBondContact CE1-O 3.26Å; F110-F118 HydrophobicContact CB-CD1 4.07Å; F110-F118 HydrophobicContact CB-CE1 4.14Å; F110-F118 HydrophobicContact CD1-CD1 4.18Å; F110-F118 HydrophobicContact CG-CD1 4.37Å; F110-T119 HydrophobicContact CE1-CG2 4.24Å; F110-T119 WeakPolarHBondContact CE2-OG1 3.3Å; F110-T119 HydrophobicContact CZ-CG2 3.64Å; F110-T119 WeakPolarHBondContact CZ-OG1 3.4Å; F110-Y138 HydrophobicContact CB-CD1 4.28Å; F110-Y138 HydrophobicContact CB-CG 4.37Å; F110-Y138 AromaticContact CD2-CD1 3.28Å; F110-Y138 HydrophobicContact CD2-CD1 3.28Å; F110-Y138 AromaticContact CD2-CE1 3.66Å; F110-Y138 HydrophobicContact CD2-CE1 3.66Å; F110-Y138 AromaticContact CD2-CG 3.92Å; F110-Y138 HydrophobicContact CD2-CG 3.92Å; F110-Y138 AromaticContact CE2-CD1 3.85Å; F110-Y138 HydrophobicContact CE2-CD1 3.85Å; F110-Y138 AromaticContact CE2-CE1 3.74Å; F110-Y138 HydrophobicContact CE2-CE1 3.74Å; F110-Y138 HydrophobicContact CG-CD1 4.02Å; F110-Y138 HydrophobicContact CG-CG 4.26Å |
| 111 | Y | 87.4 | Confident | 89.7 | Confident | 170 Ų | 170 | 50 Ų | 50 | 67% | 0.667 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20.1 | -175.5 | 74 | -86.4 | 0 | 0 | 0 | 115.5 | H107 P108 | H107-Y111 PolarHBondContact O-N 3.18Å; H107-Y111 VanDerWaalsContact O-N 3.08Å; P108-Y111 VanDerWaalsContact O-CD1 3.26Å; P108-Y111 WeakPolarHBondContact O-CD1 3.34Å; P108-Y111 WeakPolarHBondContact O-CE1 3.19Å |
| 112 | G | 88.8 | Confident | 90.1 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 74% | 0.742 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 13.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F110 | F110-G112 PolarHBondContact O-N 3.15Š|
| 113 | S | 90.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -95.9 | 155.6 | -179.1 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | F110 F118 | F110-S113 WeakPolarHBondContact O-CB 3.36Å; F110-S113 PolarHBondContact O-N 3.02Å; S113-F118 WeakPolarHBondContact O-CE1 3.21Å |
| 114 | S | 94.2 | Very high | 90.8 | Very high | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | trans | -76.3 | 153.6 | 170.2 | 56.1 | 0 | 0 | 0 | 0 | 112 | E116 A117 F118 | S114-E116 WeakPolarHBondContact CB-OE1 3.45Å; S114-E116 PolarHBondContact O-N 3.13Å; S114-E116 VanDerWaalsContact O-N 3.12Å; S114-E116 PolarHBondContact OG-OE1 3.28Å; S114-A117 WeakPolarHBondContact O-CB 3.35Å; S114-A117 PolarHBondContact O-N 3.1Å; S114-F118 PolarHBondContact O-N 3.12Å | ||
| 115 | R | 91.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 65.4 Ų | 65.4 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.5 | -175.4 | 60.9 | 168.9 | 54.8 | 150.5 | -0.8 | 115.2 | A117 F118 R122 D133 G135 D136 | R115-A117 VanDerWaalsContact C-N 3.28Å; R115-A117 PolarHBondContact O-N 2.92Å; R115-F118 HydrophobicContact CB-CD2 4Å; R115-F118 HydrophobicContact CB-CE2 3.99Å; R115-F118 WeakPolarHBondContact O-CB 3.35Å; R115-F118 PolarHBondContact O-N 3.15Å; R115-R122 PolarHBondContact O-NH2 2.83Å; R115-D133 WeakPolarHBondContact CD-O 3.46Å; R115-D133 PolarHBondContact NH1-O 3.3Å; R115-G135 WeakPolarHBondContact CB-O 3.4Å; R115-G135 PolarHBondContact NE-O 3.06Å; R115-G135 PolarHBondContact NH2-O 3.43Å; R115-D136 IonicContact NH2-OD1 3.86Å; R115-D136 PolarHBondContact NH2-OD1 3.02Å |
| 116 | E | 91.8 | Very high | 91.4 | Very high | 122 Ų | 122 | 66.7 Ų | 66.7 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22 | 176.3 | 74 | -142.4 | 136.4 | 0 | 0 | 113.3 | S114 | S114-E116 WeakPolarHBondContact CB-OE1 3.45Å; S114-E116 PolarHBondContact O-N 3.13Å; S114-E116 VanDerWaalsContact O-N 3.12Å; S114-E116 PolarHBondContact OG-OE1 3.28Å |
| 117 | A | 93.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F110 S114 R115 T119 | F110-A117 WeakPolarHBondContact CE1-O 3.26Å; S114-A117 WeakPolarHBondContact O-CB 3.35Å; S114-A117 PolarHBondContact O-N 3.1Å; R115-A117 VanDerWaalsContact C-N 3.28Å; R115-A117 PolarHBondContact O-N 2.92Å; A117-T119 PolarHBondContact O-N 3.17Å |
| 118 | F | 94.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -61.5 | 132.7 | 173.1 | -65.9 | -14.1 | 0 | 0 | 0 | 111 | F110 S113 S114 R115 Y120 R122 Y138 | F110-F118 HydrophobicContact CB-CD1 4.07Å; F110-F118 HydrophobicContact CB-CE1 4.14Å; F110-F118 HydrophobicContact CD1-CD1 4.18Å; F110-F118 HydrophobicContact CG-CD1 4.37Å; S113-F118 WeakPolarHBondContact O-CE1 3.21Å; S114-F118 PolarHBondContact O-N 3.12Å; R115-F118 HydrophobicContact CB-CD2 4Å; R115-F118 HydrophobicContact CB-CE2 3.99Å; R115-F118 WeakPolarHBondContact O-CB 3.35Å; R115-F118 PolarHBondContact O-N 3.15Å; F118-Y120 HydrophobicContact CB-CD2 4Å; F118-Y120 HydrophobicContact CB-CE2 3.94Å; F118-Y120 HydrophobicContact CB-CG 4.36Å; F118-Y120 HydrophobicContact CD2-CD2 4.49Å; F118-Y120 AromaticContact CD2-CE2 3.62Å; F118-Y120 HydrophobicContact CD2-CE2 3.62Å; F118-Y120 AromaticContact CD2-CZ 3.62Å; F118-Y120 WeakPolarHBondContact CD2-OH 3.38Å; F118-Y120 HydrophobicContact CG-CE2 4.3Å; F118-Y120 PolarHBondContact O-N 3.06Å; F118-R122 PolarHBondContact O-NH2 3.08Å; F118-Y138 HydrophobicContact CB-CD2 3.88Å; F118-Y138 HydrophobicContact CB-CG 4.37Å; F118-Y138 HydrophobicContact CG-CD2 4.38Å; F118-Y138 HydrophobicContact CG-CG 4.45Å |
| 119 | T | 94.9 | Very high | 91.9 | Very high | 64 Ų | 64 | 72.2 Ų | 72.2 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | trans | -82.3 | 42.3 | -178.5 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | F110 A117 Y138 | F110-T119 HydrophobicContact CE1-CG2 4.24Å; F110-T119 WeakPolarHBondContact CE2-OG1 3.3Å; F110-T119 HydrophobicContact CZ-CG2 3.64Å; F110-T119 WeakPolarHBondContact CZ-OG1 3.4Å; A117-T119 PolarHBondContact O-N 3.17Å; T119-Y138 VanDerWaalsContact C-CE2 3.46Å; T119-Y138 PolarHBondContact O-OH 2.8Å; T119-Y138 VanDerWaalsContact OG1-CZ 3.22Å; T119-Y138 PolarHBondContact OG1-OH 2.75Å | ||
| 120 | Y | 93.2 | Very high | 92.1 | Very high | 13 Ų | 13 | 69.8 Ų | 69.8 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | trans | -60.6 | 160.9 | 166.3 | -56.5 | -49.3 | 0 | 0 | 0 | 110.4 | F118 R122 I130 F137 Y138 | F118-Y120 HydrophobicContact CB-CD2 4Å; F118-Y120 HydrophobicContact CB-CE2 3.94Å; F118-Y120 HydrophobicContact CB-CG 4.36Å; F118-Y120 HydrophobicContact CD2-CD2 4.49Å; F118-Y120 AromaticContact CD2-CE2 3.62Å; F118-Y120 HydrophobicContact CD2-CE2 3.62Å; F118-Y120 AromaticContact CD2-CZ 3.62Å; F118-Y120 WeakPolarHBondContact CD2-OH 3.38Å; F118-Y120 HydrophobicContact CG-CE2 4.3Å; F118-Y120 PolarHBondContact O-N 3.06Å; Y120-R122 WeakPolarHBondContact O-CG 3.31Å; Y120-R122 PolarHBondContact O-N 2.9Å; Y120-I130 HydrophobicContact CD1-CD1 3.72Å; Y120-I130 HydrophobicContact CD2-CB 3.85Å; Y120-I130 HydrophobicContact CD2-CD1 3.88Å; Y120-I130 HydrophobicContact CD2-CG1 4.35Å; Y120-I130 HydrophobicContact CD2-CG2 3.92Å; Y120-I130 HydrophobicContact CE1-CD1 3.89Å; Y120-I130 HydrophobicContact CE2-CB 4.49Å; Y120-I130 HydrophobicContact CE2-CD1 4.05Å; Y120-I130 HydrophobicContact CE2-CG2 4.12Å; Y120-I130 HydrophobicContact CG-CB 4.11Å; Y120-I130 HydrophobicContact CG-CD1 3.71Å; Y120-I130 HydrophobicContact CG-CG1 4.22Å; Y120-F137 VanDerWaalsContact OH-C 3.26Å; Y120-F137 PolarHBondContact OH-O 2.98Å; Y120-Y138 AromaticContact CD1-CD2 3.5Å; Y120-Y138 HydrophobicContact CD1-CD2 3.5Å; Y120-Y138 AromaticContact CD1-CE2 3.73Å; Y120-Y138 HydrophobicContact CD1-CE2 3.73Å; Y120-Y138 AromaticContact CE1-CD2 3.51Å; Y120-Y138 HydrophobicContact CE1-CD2 3.51Å; Y120-Y138 HydrophobicContact CE1-CE2 4.18Å; Y120-Y138 HydrophobicContact CE1-CG 4.42Å; Y120-Y138 HydrophobicContact CG-CD2 4.33Å | ||
| 121 | E | 96.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 69 Ų | 69 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 129.8 | 169.9 | 176 | 57.2 | -94.3 | 0 | 0 | 110 | R123 S126 A128 Y129 I130 | E121-R123 VanDerWaalsContact CD-NE 3.32Å; E121-R123 VanDerWaalsContact OE1-CB 3.26Å; E121-R123 WeakPolarHBondContact OE1-CB 3.08Å; E121-R123 VanDerWaalsContact OE1-CG 3.23Å; E121-R123 WeakPolarHBondContact OE1-CG 3.26Å; E121-R123 PolarHBondContact OE1-N 2.86Å; E121-R123 IonicContact OE1-NE 2.99Å; E121-R123 PolarHBondContact OE1-NE 2.93Å; E121-R123 VanDerWaalsContact OE1-NE 3.11Å; E121-R123 IonicContact OE2-CZ 3.14Å; E121-R123 VanDerWaalsContact OE2-CZ 3.23Å; E121-R123 IonicContact OE2-NE 2.68Å; E121-R123 PolarHBondContact OE2-NE 2.99Å; E121-R123 IonicContact OE2-NH2 2.69Å; E121-R123 PolarHBondContact OE2-NH2 2.61Å; E121-S126 VanDerWaalsContact CG-CB 3.49Å; E121-A128 HydrophobicContact CB-CB 4.35Å; E121-Y129 WeakPolarHBondContact O-CA 3.25Å; E121-I130 PolarHBondContact O-N 2.91Å |
| 122 | R | 94.4 | Very high | 92.7 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | trans | -116.4 | 4.3 | -174.8 | -51.1 | -53.5 | -171.5 | 159.3 | 5.4 | 113.1 | R115 F118 Y120 P124 Y129 I130 P131 | R115-R122 PolarHBondContact O-NH2 2.83Å; F118-R122 PolarHBondContact O-NH2 3.08Å; Y120-R122 WeakPolarHBondContact O-CG 3.31Å; Y120-R122 PolarHBondContact O-N 2.9Å; R122-P124 WeakPolarHBondContact O-CD 3.47Å; R122-Y129 WeakPolarHBondContact O-CE2 3.37Å; R122-I130 VanDerWaalsContact CD-O 3.28Å; R122-I130 WeakPolarHBondContact CD-O 3.36Å; R122-I130 PolarHBondContact NH1-O 3.45Å; R122-P131 VanDerWaalsContact NH1-C 3.28Å; R122-P131 PolarHBondContact NH1-O 2.9Å | ||
| 123 | R | 94.1 | Very high | 92.9 | Very high | 94 Ų | 94 | 69.8 Ų | 69.8 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | trans | -85.3 | 112.5 | 171.3 | -63.7 | 176.7 | -66.7 | 157.4 | 2.3 | 110.1 | E121 Q125 S126 E221 | E121-R123 VanDerWaalsContact CD-NE 3.32Å; E121-R123 VanDerWaalsContact OE1-CB 3.26Å; E121-R123 WeakPolarHBondContact OE1-CB 3.08Å; E121-R123 VanDerWaalsContact OE1-CG 3.23Å; E121-R123 WeakPolarHBondContact OE1-CG 3.26Å; E121-R123 PolarHBondContact OE1-N 2.86Å; E121-R123 IonicContact OE1-NE 2.99Å; E121-R123 PolarHBondContact OE1-NE 2.93Å; E121-R123 VanDerWaalsContact OE1-NE 3.11Å; E121-R123 IonicContact OE2-CZ 3.14Å; E121-R123 VanDerWaalsContact OE2-CZ 3.23Å; E121-R123 IonicContact OE2-NE 2.68Å; E121-R123 PolarHBondContact OE2-NE 2.99Å; E121-R123 IonicContact OE2-NH2 2.69Å; E121-R123 PolarHBondContact OE2-NH2 2.61Å; R123-Q125 PolarHBondContact O-N 2.93Å; R123-S126 PolarHBondContact O-N 2.77Å; R123-E221 VanDerWaalsContact NH2-CB 3.32Å; R123-E221 IonicContact NH2-OE2 2.76Å | ||
| 124 | P | 93.9 | Very high | 93 | Very high | 87 Ų | 87 | 71.4 Ų | 71.4 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10 | -177.2 | -24.4 | 35.5 | 0 | 0 | 0 | 115.7 | R122 S126 Y129 | R122-P124 WeakPolarHBondContact O-CD 3.47Å; P124-S126 VanDerWaalsContact C-N 3.29Å; P124-Y129 HydrophobicContact CB-CD1 4.43Å; P124-Y129 HydrophobicContact CB-CE1 4.42Å; P124-Y129 HydrophobicContact CB-CG 4.47Å; P124-Y129 HydrophobicContact CG-CD2 4.3Å; P124-Y129 HydrophobicContact CG-CE1 4.46Å; P124-Y129 HydrophobicContact CG-CE2 3.93Å |
| 125 | Q | 95.1 | Very high | 92.8 | Very high | 157 Ų | 157 | 69 Ų | 69 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.2 | 174.5 | -57.9 | 78.3 | 11.5 | 0 | 0 | 112.9 | R123 | R123-Q125 PolarHBondContact O-N 2.93Š|
| 126 | S | 92.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 67.1 Ų | 67.1 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -91.9 | 140.5 | -179.3 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | E121 R123 P124 A128 Y129 | E121-S126 VanDerWaalsContact CG-CB 3.49Å; R123-S126 PolarHBondContact O-N 2.77Å; P124-S126 VanDerWaalsContact C-N 3.29Å; S126-A128 PolarHBondContact O-N 3.02Å; S126-A128 VanDerWaalsContact O-N 3.16Å; S126-A128 PolarHBondContact OG-N 2.97Å; S126-Y129 WeakPolarHBondContact O-CB 3.36Å; S126-Y129 PolarHBondContact O-N 3.42Å; S126-Y129 VanDerWaalsContact O-N 3.09Å |
| 127 | Q | 90.6 | Very high | 92.7 | Very high | 116 Ų | 116 | 65.3 Ų | 65.3 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -6 | 173.2 | -60.8 | -56.9 | -37.4 | 0 | 0 | 113.8 | ||
| 128 | A | 88.3 | Confident | 92.5 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 10.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E121 S126 | E121-A128 HydrophobicContact CB-CB 4.35Å; S126-A128 PolarHBondContact O-N 3.02Å; S126-A128 VanDerWaalsContact O-N 3.16Å; S126-A128 PolarHBondContact OG-N 2.97Å |
| 129 | Y | 91.3 | Very high | 92.3 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 133.5 | 178.7 | 172.1 | -111.6 | 0 | 0 | 0 | 112.5 | E121 R122 P124 S126 P131 | E121-Y129 WeakPolarHBondContact O-CA 3.25Å; R122-Y129 WeakPolarHBondContact O-CE2 3.37Å; P124-Y129 HydrophobicContact CB-CD1 4.43Å; P124-Y129 HydrophobicContact CB-CE1 4.42Å; P124-Y129 HydrophobicContact CB-CG 4.47Å; P124-Y129 HydrophobicContact CG-CD2 4.3Å; P124-Y129 HydrophobicContact CG-CE1 4.46Å; P124-Y129 HydrophobicContact CG-CE2 3.93Å; S126-Y129 WeakPolarHBondContact O-CB 3.36Å; S126-Y129 PolarHBondContact O-N 3.42Å; S126-Y129 VanDerWaalsContact O-N 3.09Å; Y129-P131 HydrophobicContact CE1-CG 3.76Å |
| 130 | I | 90.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | trans | -131.1 | 125.6 | 169.7 | -48.9 | -172.8 | 0 | 0 | 0 | 109.7 | Y120 E121 R122 E134 H216 | Y120-I130 HydrophobicContact CD1-CD1 3.72Å; Y120-I130 HydrophobicContact CD2-CB 3.85Å; Y120-I130 HydrophobicContact CD2-CD1 3.88Å; Y120-I130 HydrophobicContact CD2-CG1 4.35Å; Y120-I130 HydrophobicContact CD2-CG2 3.92Å; Y120-I130 HydrophobicContact CE1-CD1 3.89Å; Y120-I130 HydrophobicContact CE2-CB 4.49Å; Y120-I130 HydrophobicContact CE2-CD1 4.05Å; Y120-I130 HydrophobicContact CE2-CG2 4.12Å; Y120-I130 HydrophobicContact CG-CB 4.11Å; Y120-I130 HydrophobicContact CG-CD1 3.71Å; Y120-I130 HydrophobicContact CG-CG1 4.22Å; E121-I130 PolarHBondContact O-N 2.91Å; R122-I130 VanDerWaalsContact CD-O 3.28Å; R122-I130 WeakPolarHBondContact CD-O 3.36Å; R122-I130 PolarHBondContact NH1-O 3.45Å; I130-E134 HydrophobicContact CG2-CB 3.8Å; I130-H216 HydrophobicContact CD1-CB 3.8Å | ||
| 131 | P | 93.5 | Very high | 91.4 | Very high | 22 Ų | 22 | 62.1 Ų | 62.1 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | trans | -52.9 | 159.6 | 168.7 | -28.5 | 37.2 | 0 | 0 | 0 | 114.6 | R122 Y129 D133 E134 | R122-P131 VanDerWaalsContact NH1-C 3.28Å; R122-P131 PolarHBondContact NH1-O 2.9Å; Y129-P131 HydrophobicContact CE1-CG 3.76Å; P131-D133 VanDerWaalsContact C-N 3.3Å; P131-D133 VanDerWaalsContact CB-OD1 3.28Å; P131-D133 WeakPolarHBondContact CB-OD1 3.37Å; P131-D133 PolarHBondContact O-N 3.27Å; P131-E134 HydrophobicContact CB-CB 4.19Å; P131-E134 HydrophobicContact CB-CG 4.12Å; P131-E134 VanDerWaalsContact CD-OE2 3.23Å; P131-E134 WeakPolarHBondContact CD-OE2 3.44Å; P131-E134 HydrophobicContact CG-CB 4.5Å; P131-E134 HydrophobicContact CG-CG 4.25Å; P131-E134 PolarHBondContact O-N 3.49Å | ||
| 132 | K | 94.2 | Very high | 90.8 | Very high | 139 Ų | 139 | 60.3 Ų | 60.3 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.2 | -27 | -176.4 | -84.7 | -165.9 | 168 | -164.3 | 0 | 113.8 | ||
| 133 | D | 94.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -88.1 | -12.2 | -179.9 | 43.7 | -31 | 0 | 0 | 0 | 113 | R115 P131 | R115-D133 WeakPolarHBondContact CD-O 3.46Å; R115-D133 PolarHBondContact NH1-O 3.3Å; P131-D133 VanDerWaalsContact C-N 3.3Å; P131-D133 VanDerWaalsContact CB-OD1 3.28Å; P131-D133 WeakPolarHBondContact CB-OD1 3.37Å; P131-D133 PolarHBondContact O-N 3.27Å |
| 134 | E | 91.8 | Very high | 90.3 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | trans | -99.5 | 163.5 | 176.6 | -70.9 | 174.8 | -156.1 | 0 | 0 | 112.8 | I130 P131 | I130-E134 HydrophobicContact CG2-CB 3.8Å; P131-E134 HydrophobicContact CB-CB 4.19Å; P131-E134 HydrophobicContact CB-CG 4.12Å; P131-E134 VanDerWaalsContact CD-OE2 3.23Å; P131-E134 WeakPolarHBondContact CD-OE2 3.44Å; P131-E134 HydrophobicContact CG-CB 4.5Å; P131-E134 HydrophobicContact CG-CG 4.25Å; P131-E134 PolarHBondContact O-N 3.49Å | ||
| 135 | G | 88.9 | Confident | 90 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | trans | 90.4 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | R115 | R115-G135 WeakPolarHBondContact CB-O 3.4Å; R115-G135 PolarHBondContact NE-O 3.06Å; R115-G135 PolarHBondContact NH2-O 3.43Å | ||
| 136 | D | 89.8 | Confident | 89.5 | Confident | 62 Ų | 62 | 43.2 Ų | 43.2 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -90.6 | -44.3 | -174.5 | -49.1 | -74.8 | 0 | 0 | 0 | 112.3 | R115 A213 | R115-D136 IonicContact NH2-OD1 3.86Å; R115-D136 PolarHBondContact NH2-OD1 3.02Å; D136-A213 WeakPolarHBondContact OD2-CA 3.43Å; D136-A213 VanDerWaalsContact OD2-CB 3.25Å; D136-A213 WeakPolarHBondContact OD2-CB 3.44Å |
| 137 | F | 91.9 | Very high | 88.8 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 37% | 0.373 | 22% | 0.219 | S | C | . | . | trans | -141.8 | 143.2 | -176.4 | -58.8 | -69.3 | 0 | 0 | 0 | 111.4 | L106 Y120 Y139 V183 | L106-F137 HydrophobicContact CD2-CB 3.59Å; L106-F137 HydrophobicContact CD2-CD1 3.54Å; L106-F137 HydrophobicContact CD2-CD2 4.4Å; L106-F137 HydrophobicContact CD2-CE1 4.32Å; L106-F137 HydrophobicContact CD2-CG 3.59Å; Y120-F137 VanDerWaalsContact OH-C 3.26Å; Y120-F137 PolarHBondContact OH-O 2.98Å; F137-Y139 HydrophobicContact CB-CE1 4.05Å; F137-Y139 HydrophobicContact CB-CE2 4.19Å; F137-Y139 WeakPolarHBondContact O-CD2 3.39Å; F137-Y139 WeakPolarHBondContact O-CE2 3.44Å; F137-V183 HydrophobicContact CD2-CG1 4.48Å | ||
| 138 | Y | 89.6 | Confident | 87.4 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | trans | -86.7 | 109.8 | 169.3 | -166.5 | -96.1 | 0 | 0 | 0 | 109.8 | H107 F110 F118 T119 Y120 | H107-Y138 HydrophobicContact CB-CD1 3.61Å; H107-Y138 HydrophobicContact CB-CE1 4.3Å; H107-Y138 WeakPolarHBondContact CB-O 3.49Å; H107-Y138 AromaticContact CG-CD1 3.86Å; H107-Y138 PolarHBondContact N-O 3.39Å; F110-Y138 HydrophobicContact CB-CD1 4.28Å; F110-Y138 HydrophobicContact CB-CG 4.37Å; F110-Y138 AromaticContact CD2-CD1 3.28Å; F110-Y138 HydrophobicContact CD2-CD1 3.28Å; F110-Y138 AromaticContact CD2-CE1 3.66Å; F110-Y138 HydrophobicContact CD2-CE1 3.66Å; F110-Y138 AromaticContact CD2-CG 3.92Å; F110-Y138 HydrophobicContact CD2-CG 3.92Å; F110-Y138 AromaticContact CE2-CD1 3.85Å; F110-Y138 HydrophobicContact CE2-CD1 3.85Å; F110-Y138 AromaticContact CE2-CE1 3.74Å; F110-Y138 HydrophobicContact CE2-CE1 3.74Å; F110-Y138 HydrophobicContact CG-CD1 4.02Å; F110-Y138 HydrophobicContact CG-CG 4.26Å; F118-Y138 HydrophobicContact CB-CD2 3.88Å; F118-Y138 HydrophobicContact CB-CG 4.37Å; F118-Y138 HydrophobicContact CG-CD2 4.38Å; F118-Y138 HydrophobicContact CG-CG 4.45Å; T119-Y138 VanDerWaalsContact C-CE2 3.46Å; T119-Y138 PolarHBondContact O-OH 2.8Å; T119-Y138 VanDerWaalsContact OG1-CZ 3.22Å; T119-Y138 PolarHBondContact OG1-OH 2.75Å; Y120-Y138 AromaticContact CD1-CD2 3.5Å; Y120-Y138 HydrophobicContact CD1-CD2 3.5Å; Y120-Y138 AromaticContact CD1-CE2 3.73Å; Y120-Y138 HydrophobicContact CD1-CE2 3.73Å; Y120-Y138 AromaticContact CE1-CD2 3.51Å; Y120-Y138 HydrophobicContact CE1-CD2 3.51Å; Y120-Y138 HydrophobicContact CE1-CE2 4.18Å; Y120-Y138 HydrophobicContact CE1-CG 4.42Å; Y120-Y138 HydrophobicContact CG-CD2 4.33Å | ||
| 139 | Y | 89.3 | Confident | 85.8 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 149.1 | -174 | -62.5 | -75.9 | 0 | 0 | 0 | 113.3 | T105 F137 G141 P180 V183 E214 V215 | T105-Y139 CarbonylContact O-C 3.46Å; T105-Y139 WeakPolarHBondContact O-CA 3.18Å; F137-Y139 HydrophobicContact CB-CE1 4.05Å; F137-Y139 HydrophobicContact CB-CE2 4.19Å; F137-Y139 WeakPolarHBondContact O-CD2 3.39Å; F137-Y139 WeakPolarHBondContact O-CE2 3.44Å; Y139-G141 PolarHBondContact O-N 2.98Å; Y139-P180 HydrophobicContact CE1-CG 4.05Å; Y139-P180 VanDerWaalsContact OH-CG 3.31Å; Y139-P180 WeakPolarHBondContact OH-CG 3.32Å; Y139-V183 HydrophobicContact CE1-CG1 4.09Å; Y139-V183 HydrophobicContact CE1-CG2 4.1Å; Y139-E214 WeakPolarHBondContact CE2-O 3.49Å; Y139-V215 HydrophobicContact CD2-CG1 4.37Å; Y139-V215 HydrophobicContact CE2-CG2 4.42Å |
| 140 | L | 85.8 | Confident | 84 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.7 | 179 | 178.5 | 61.5 | 0 | 0 | 0 | 111.1 | M88 T105 G142 F143 | M88-L140 HydrophobicContact CE-CD2 4.45Å; T105-L140 HydrophobicContact CG2-CD2 4.36Å; T105-L140 PolarHBondContact O-N 3.45Å; L140-G142 PolarHBondContact O-N 3.4Å; L140-F143 HydrophobicContact CD2-CB 4.05Å; L140-F143 PolarHBondContact O-N 2.76Å; L140-F143 VanDerWaalsContact O-N 3.08Å |
| 141 | G | 83.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 5.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y139 | Y139-G141 PolarHBondContact O-N 2.98Å |
| 142 | G | 83.2 | Confident | 80.1 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 5.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V84 D85 L140 | V84-G142 CarbonylContact C-O 3.5Å; V84-G142 VanDerWaalsContact CA-O 3.28Å; V84-G142 WeakPolarHBondContact CA-O 3.44Å; D85-G142 PolarHBondContact N-O 3.19Å; D85-G142 WeakPolarHBondContact OD2-CA 3.16Å; L140-G142 PolarHBondContact O-N 3.4Å |
| 143 | F | 90 | Very high | 78 | Confident | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 110.3 | 166.3 | -156.7 | 125.3 | 0 | 0 | 0 | 109.1 | V82 C83 V84 V94 I98 F103 T105 L140 P187 | V82-F143 HydrophobicContact CG1-CE2 3.94Å; V82-F143 HydrophobicContact CG1-CZ 4.17Å; C83-F143 WeakPolarHBondContact O-CA 3.44Å; V84-F143 HydrophobicContact CB-CD1 4.42Å; V84-F143 HydrophobicContact CG1-CD1 3.7Å; V84-F143 HydrophobicContact CG1-CE1 4.12Å; V84-F143 HydrophobicContact CG1-CG 4.37Å; V84-F143 HydrophobicContact CG2-CD1 3.89Å; V84-F143 HydrophobicContact CG2-CD2 4.4Å; V84-F143 HydrophobicContact CG2-CE1 3.85Å; V84-F143 HydrophobicContact CG2-CE2 4.35Å; V84-F143 HydrophobicContact CG2-CG 4.18Å; V84-F143 HydrophobicContact CG2-CZ 4.08Å; V94-F143 HydrophobicContact CG1-CZ 4.15Å; I98-F143 HydrophobicContact CD1-CE2 3.9Å; I98-F143 HydrophobicContact CD1-CZ 4.06Å; F103-F143 AromaticContact CE2-CD2 3.86Å; F103-F143 HydrophobicContact CE2-CD2 3.86Å; F103-F143 AromaticContact CE2-CE2 3.76Å; F103-F143 HydrophobicContact CE2-CE2 3.76Å; F103-F143 HydrophobicContact CZ-CE2 4.16Å; T105-F143 VanDerWaalsContact CB-O 3.3Å; T105-F143 WeakPolarHBondContact CB-O 3.49Å; T105-F143 HydrophobicContact CG2-CB 4.37Å; T105-F143 PolarHBondContact N-O 3.07Å; T105-F143 WeakPolarHBondContact OG1-CD2 3.35Å; T105-F143 PolarHBondContact OG1-O 2.89Å; L140-F143 HydrophobicContact CD2-CB 4.05Å; L140-F143 PolarHBondContact O-N 2.76Å; L140-F143 VanDerWaalsContact O-N 3.08Å; F143-P187 HydrophobicContact CD1-CG 4.01Å; F143-P187 HydrophobicContact CE1-CG 3.98Å |
| 144 | F | 88 | Confident | 75.9 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 168.7 | 178.1 | 62.7 | -87 | 0 | 0 | 0 | 110.5 | M63 I66 C83 F103 | M63-F144 HydrophobicContact CE-CE1 3.86Å; M63-F144 HydrophobicContact CE-CE2 4.34Å; M63-F144 HydrophobicContact CE-CZ 3.61Å; M63-F144 HydrophobicContact SD-CE2 4.27Å; M63-F144 HydrophobicContact SD-CZ 3.72Å; I66-F144 HydrophobicContact CD1-CZ 4.15Å; C83-F144 HydrophobicContact CB-CD1 4.13Å; C83-F144 HydrophobicContact CB-CD2 3.94Å; C83-F144 HydrophobicContact CB-CE1 3.69Å; C83-F144 HydrophobicContact CB-CE2 3.48Å; C83-F144 VanDerWaalsContact CB-CE2 3.48Å; C83-F144 HydrophobicContact CB-CG 4.25Å; C83-F144 HydrophobicContact CB-CZ 3.34Å; C83-F144 PolarHBondContact N-O 2.74Å; C83-F144 PolarHBondContact O-N 3.44Å; F103-F144 VanDerWaalsContact CE2-C 3.49Å |
| 145 | G | 87.9 | Confident | 73.8 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | -170.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | L81 F103 | L81-G145 CarbonylContact O-C 3.52Å; L81-G145 WeakPolarHBondContact O-CA 3.37Å; F103-G145 VanDerWaalsContact CD1-C 3.49Å; F103-G145 VanDerWaalsContact CE1-C 3.46Å; F103-G145 PolarHBondContact N-O 2.87Å; F103-G145 PolarHBondContact O-N 3.4Å; F103-G145 VanDerWaalsContact O-N 3.13Å |
| 146 | G | 85.8 | Confident | 71.8 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172 | -167.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y80 L81 P101 | Y80-G146 WeakPolarHBondContact CA-O 3.47Å; L81-G146 PolarHBondContact N-O 2.99Å; L81-G146 PolarHBondContact O-N 3.25Å; P101-G146 CarbonylContact O-C 3.56Å; P101-G146 WeakPolarHBondContact O-CA 3.2Å |
| 147 | V | 75.9 | Confident | 69.3 | Low | 15 Ų | 15 | 41.3 Ų | 41.3 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.4 | -175.6 | 75.6 | 0 | 0 | 0 | 0 | 112.5 | D79 Y80 P101 G151 A152 | D79-V147 VanDerWaalsContact O-CG2 3.29Å; D79-V147 WeakPolarHBondContact O-CG2 3.39Å; Y80-V147 HydrophobicContact CD1-CB 4.13Å; Y80-V147 HydrophobicContact CD1-CG2 4.13Å; Y80-V147 HydrophobicContact CE1-CB 4.07Å; Y80-V147 HydrophobicContact CE1-CG2 3.89Å; P101-V147 HydrophobicContact CB-CG1 4.27Å; P101-V147 PolarHBondContact O-N 3.28Å; V147-G151 VanDerWaalsContact CG2-CA 3.45Å; V147-A152 HydrophobicContact CG1-CB 4.04Å |
| 148 | G | 62.8 | Low | 66.6 | Low | 11 Ų | 11 | 42.6 Ų | 42.6 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | trans | -83.8 | 165.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D79 R150 G151 A152 | D79-G148 PolarHBondContact O-N 3.06Å; G148-R150 PolarHBondContact O-N 3.44Å; G148-G151 PolarHBondContact O-N 3.27Å; G148-A152 PolarHBondContact O-N 3.03Å | ||
| 149 | A | 54.7 | Low | 63.7 | Low | 46 Ų | 46 | 46.3 Ų | 46.3 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58 | -29.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L75 A152 A153 | L75-A149 HydrophobicContact CB-CB 4.01Å; L75-A149 HydrophobicContact CD1-CB 3.98Å; L75-A149 HydrophobicContact CD2-CB 3.71Å; L75-A149 HydrophobicContact CG-CB 4.06Å; A149-A152 PolarHBondContact O-N 3.45Å; A149-A153 PolarHBondContact O-N 3.42Å; A149-A153 VanDerWaalsContact O-N 3.1Å |
| 150 | R | 51.9 | Low | 61 | Low | 137 Ų | 137 | 52.5 Ų | 52.5 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -53.2 | 172 | -74.5 | 172.1 | 167.9 | -84.7 | 1.8 | 111.8 | S76 V78 D79 G148 A152 A153 A154 | S76-R150 VanDerWaalsContact O-CZ 3.28Å; S76-R150 PolarHBondContact O-NE 2.79Å; S76-R150 PolarHBondContact O-NH2 3.42Å; V78-R150 WeakPolarHBondContact O-CD 3.36Å; D79-R150 WeakPolarHBondContact OD1-CB 3.39Å; G148-R150 PolarHBondContact O-N 3.44Å; R150-A152 VanDerWaalsContact C-N 3.32Å; R150-A152 PolarHBondContact O-N 3.36Å; R150-A153 PolarHBondContact O-N 3.45Å; R150-A154 PolarHBondContact O-N 2.94Å |
| 151 | G | 50.7 | Low | 58.5 | Low | 6 Ų | 6 | 55 Ų | 55 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -32.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V147 G148 A153 A154 H155 | V147-G151 VanDerWaalsContact CG2-CA 3.45Å; G148-G151 PolarHBondContact O-N 3.27Å; G151-A153 PolarHBondContact O-N 2.87Å; G151-A154 WeakPolarHBondContact O-CB 3.48Å; G151-A154 PolarHBondContact O-N 3.45Å; G151-H155 PolarHBondContact O-CD2 3.06Å; G151-H155 VanDerWaalsContact O-CD2 3.32Å; G151-H155 PolarHBondContact O-N 3.46Å |
| 152 | A | 53.4 | Low | 56 | Low | 23 Ų | 23 | 62.9 Ų | 62.9 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V147 G148 A149 R150 A154 H155 Q156 | V147-A152 HydrophobicContact CG1-CB 4.04Å; G148-A152 PolarHBondContact O-N 3.03Å; A149-A152 PolarHBondContact O-N 3.45Å; R150-A152 VanDerWaalsContact C-N 3.32Å; R150-A152 PolarHBondContact O-N 3.36Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 2.62Å; A152-H155 PolarHBondContact O-N 3.42Å; A152-Q156 WeakPolarHBondContact O-CB 3.42Å; A152-Q156 VanDerWaalsContact O-CG 3.23Å; A152-Q156 WeakPolarHBondContact O-CG 3.5Å; A152-Q156 PolarHBondContact O-N 2.79Å |
| 153 | A | 49 | Very low | 53.9 | Low | 39 Ų | 39 | 70.8 Ų | 70.8 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A149 R150 G151 Q156 G157 L158 | A149-A153 PolarHBondContact O-N 3.42Å; A149-A153 VanDerWaalsContact O-N 3.1Å; R150-A153 PolarHBondContact O-N 3.45Å; G151-A153 PolarHBondContact O-N 2.87Å; A153-Q156 PolarHBondContact O-N 3.42Å; A153-G157 PolarHBondContact O-N 3.23Å; A153-L158 PolarHBondContact O-N 3.16Å |
| 154 | A | 49.5 | Very low | 50.9 | Low | 78 Ų | 78 | 73.9 Ų | 73.9 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.7 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R150 G151 A152 Q156 G157 | R150-A154 PolarHBondContact O-N 2.94Å; G151-A154 WeakPolarHBondContact O-CB 3.48Å; G151-A154 PolarHBondContact O-N 3.45Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 2.62Å; A154-Q156 VanDerWaalsContact C-N 3.33Å; A154-Q156 PolarHBondContact O-N 3.12Å; A154-G157 PolarHBondContact O-N 2.99Å; A154-G157 VanDerWaalsContact O-N 3.14Å |
| 155 | H | 48.6 | Very low | 47.9 | Very low | 102 Ų | 102 | 84.3 Ų | 84.3 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -34.8 | 175.1 | -84 | -76.1 | 0 | 0 | 0 | 113 | Y80 G151 A152 G157 | Y80-H155 AromaticContact CZ-NE2 3.89Å; Y80-H155 PolarHBondContact OH-NE2 3.09Å; G151-H155 PolarHBondContact O-CD2 3.06Å; G151-H155 VanDerWaalsContact O-CD2 3.32Å; G151-H155 PolarHBondContact O-N 3.46Å; A152-H155 PolarHBondContact O-N 3.42Å; H155-G157 PolarHBondContact O-N 3.38Å |
| 156 | Q | 47.4 | Very low | 45.4 | Very low | 139 Ų | 139 | 90.2 Ų | 90.2 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.7 | 176.1 | -69 | 173.4 | 11 | 0 | 0 | 113.5 | A152 A153 A154 L158 | A152-Q156 WeakPolarHBondContact O-CB 3.42Å; A152-Q156 VanDerWaalsContact O-CG 3.23Å; A152-Q156 WeakPolarHBondContact O-CG 3.5Å; A152-Q156 PolarHBondContact O-N 2.79Å; A153-Q156 PolarHBondContact O-N 3.42Å; A154-Q156 VanDerWaalsContact C-N 3.33Å; A154-Q156 PolarHBondContact O-N 3.12Å; Q156-L158 HydrophobicContact CB-CD1 4.44Å; Q156-L158 PolarHBondContact O-N 3.47Å |
| 157 | G | 37.5 | Very low | 42.4 | Very low | 65 Ų | 65 | 93 Ų | 93 | 67% | 0.67 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 20.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A153 A154 H155 | A153-G157 PolarHBondContact O-N 3.23Å; A154-G157 PolarHBondContact O-N 2.99Å; A154-G157 VanDerWaalsContact O-N 3.14Å; H155-G157 PolarHBondContact O-N 3.38Å |
| 158 | L | 34.1 | Very low | 40 | Very low | 111 Ų | 111 | 100.4 Ų | 100.4 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | trans | -80.7 | 125 | -176.7 | -117.5 | 73.7 | 0 | 0 | 0 | 110.3 | A153 Q156 | A153-L158 PolarHBondContact O-N 3.16Å; Q156-L158 HydrophobicContact CB-CD1 4.44Å; Q156-L158 PolarHBondContact O-N 3.47Å | ||
| 159 | P | 29.7 | Very low | 38.2 | Very low | 103 Ų | 103 | 111 Ų | 111 | 67% | 0.669 | 64% | 0.639 | S | S | * | * | trans | -65.7 | 151.2 | 171 | 29 | -34.4 | 0 | 0 | 0 | 110.3 | G161 | P159-G161 PolarHBondContact O-N 2.83Š| ||
| 160 | P | 31.8 | Very low | 36.8 | Very low | 134 Ų | 134 | 117.2 Ų | 117.2 | 87% | 0.87 | 66% | 0.659 | S | S | * | * | trans | -63.3 | 101.6 | -179.6 | 25.1 | -33.8 | 0 | 0 | 0 | 111.2 | ||||
| 161 | G | 33.1 | Very low | 35.6 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 135.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | P159 | P159-G161 PolarHBondContact O-N 2.83Š|
| 162 | H | 30.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 126 Ų | 126 | 87% | 0.87 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 161.6 | 177.3 | -95.2 | -94.1 | 0 | 0 | 0 | 114.4 | G164 | H162-G164 PolarHBondContact O-N 3.47Š|
| 163 | D | 40.6 | Very low | 32.7 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 128.6 | 173.2 | -68.9 | -74.5 | 0 | 0 | 0 | 114.4 | ||
| 164 | G | 26.4 | Very low | 31.5 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -148.1 | 130.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | H162 | H162-G164 PolarHBondContact O-N 3.47Š| ||
| 165 | R | 25.1 | Very low | 30.3 | Very low | 250 Ų | 250 | 139.4 Ų | 139.4 | 94% | 0.943 | 76% | 0.758 | S | S | * | * | trans | -84.3 | 155.4 | -177 | -81.5 | -173 | 179.9 | -175.4 | 2.2 | 113 | ||||
| 166 | P | 34.8 | Very low | 29.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -88.7 | 149 | -159.8 | 34.5 | -36.9 | 0 | 0 | 0 | 114.3 | ||||
| 167 | G | 24.2 | Very low | 28.7 | Very low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | -177.8 | 63.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 168 | Q | 23.9 | Very low | 28.6 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -168.8 | 155.1 | 143.3 | -107.2 | 149.8 | 107.1 | 0 | 0 | 112.8 | ||||
| 169 | R | 26.6 | Very low | 28.9 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | -118.8 | 114.9 | 176.2 | -72.3 | -178.7 | 178.7 | -104.4 | 5.1 | 109.4 | ||||
| 170 | H | 23.8 | Very low | 29.7 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -104.2 | 133 | 160 | -70.4 | -47.2 | 0 | 0 | 0 | 109.8 | ||||
| 171 | R | 27.5 | Very low | 30.3 | Very low | 257 Ų | 257 | 139.1 Ų | 139.1 | 97% | 0.97 | 71% | 0.708 | S | S | * | * | trans | -86.7 | 130.8 | 161.2 | -81.8 | 172.8 | 157.3 | 172 | -7.6 | 106.8 | ||||
| 172 | G | 20.5 | Very low | 31 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | trans | 170.6 | 117.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 173 | R | 21.8 | Very low | 32.1 | Very low | 241 Ų | 241 | 132.7 Ų | 132.7 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | trans | 65.1 | 140.5 | 162 | -61.3 | -175 | 174.2 | -155.7 | -4 | 117.4 | ||||
| 174 | V | 24.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 108 | ||
| 175 | A | 24 | Very low | 32.9 | Very low | 55 Ų | 55 | 126 Ų | 126 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 158.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E237 | A175-E237 HydrophobicContact CB-CG 4.41Š|
| 176 | R | 24.4 | Very low | 33.6 | Very low | 190 Ų | 190 | 115.2 Ų | 115.2 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 153.3 | 176.2 | -68.8 | -175.9 | 173.8 | -153.7 | -2.3 | 110.4 | E178 | R176-E178 PolarHBondContact O-N 3.04Š|
| 177 | R | 38.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 111.5 Ų | 111.5 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | trans | -72.3 | 111.7 | 163.2 | -67.5 | 173.4 | 174.1 | -173.6 | -6.9 | 106.9 | E214 | R177-E214 WeakPolarHBondContact CD-OE1 3.23Å; R177-E214 IonicContact CZ-OE1 2.72Å; R177-E214 IonicContact CZ-OE2 3.56Å; R177-E214 IonicContact NE-OE1 2.76Å; R177-E214 IonicContact NH1-OE1 3.49Å; R177-E214 PolarHBondContact NH1-OE1 3.44Å; R177-E214 IonicContact NH1-OE2 2.72Å; R177-E214 PolarHBondContact NH1-OE2 2.75Å | ||
| 178 | E | 35.5 | Very low | 34.4 | Very low | 146 Ų | 146 | 112.8 Ų | 112.8 | 68% | 0.682 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 139.4 | -175.3 | -64.1 | -165.4 | 141.5 | 0 | 0 | 111.9 | R176 A213 | R176-E178 PolarHBondContact O-N 3.04Å; E178-A213 CarbonylContact C-O 3.59Å |
| 179 | P | 40.5 | Very low | 34.9 | Very low | 42 Ų | 42 | 108.2 Ų | 108.2 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 152.6 | 177.4 | 30.8 | -37 | 0 | 0 | 0 | 111.3 | E181 A213 | P179-E181 PolarHBondContact O-N 2.98Å; P179-A213 WeakPolarHBondContact CA-O 3.41Å; P179-A213 HydrophobicContact CB-CB 3.74Å |
| 180 | P | 45.8 | Very low | 35.4 | Very low | 11 Ų | 11 | 100.5 Ų | 100.5 | 7% | 0.071 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -71 | 126.6 | 165.6 | 31.4 | -28.8 | 0 | 0 | 0 | 108.7 | L102 Y139 Q182 V183 V215 | L102-P180 HydrophobicContact CG-CB 4.41Å; L102-P180 CarbonylContact O-C 3.59Å; L102-P180 WeakPolarHBondContact O-CA 3.41Å; Y139-P180 HydrophobicContact CE1-CG 4.05Å; Y139-P180 VanDerWaalsContact OH-CG 3.31Å; Y139-P180 WeakPolarHBondContact OH-CG 3.32Å; P180-Q182 PolarHBondContact O-N 3.41Å; P180-V183 HydrophobicContact CB-CG2 4.49Å; P180-V183 HydrophobicContact CG-CG2 3.8Å; P180-V215 HydrophobicContact CB-CG2 4.04Å; P180-V215 HydrophobicContact CG-CG2 3.77Å |
| 181 | E | 43.8 | Very low | 35.6 | Very low | 142 Ų | 142 | 101.7 Ų | 101.7 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -71.9 | -21.9 | -175 | -169.6 | 175.3 | -147.7 | 0 | 0 | 112 | P101 L102 P179 | P101-E181 VanDerWaalsContact CD-OE2 3.29Å; P101-E181 WeakPolarHBondContact CD-OE2 3.48Å; L102-E181 PolarHBondContact O-N 3.47Å; P179-E181 PolarHBondContact O-N 2.98Å |
| 182 | Q | 48.9 | Very low | 35.4 | Very low | 78 Ų | 78 | 92.2 Ų | 92.2 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | B | Isolated β-bridge | trans | -129 | 144.9 | 164.1 | -57 | 176.4 | 1.8 | 0 | 0 | 111.2 | E97 T100 F103 P180 P184 | E97-Q182 PolarHBondContact O-OE1 2.91Å; T100-Q182 HydrophobicContact CG2-CB 3.84Å; T100-Q182 HydrophobicContact CG2-CG 3.87Å; F103-Q182 WeakPolarHBondContact CA-O 3.21Å; F103-Q182 WeakPolarHBondContact CB-O 2.89Å; P180-Q182 PolarHBondContact O-N 3.41Å; Q182-P184 WeakPolarHBondContact O-CD 3.32Å |
| 183 | V | 52.2 | Low | 35.6 | Very low | 49 Ų | 49 | 93.3 Ų | 93.3 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | trans | -120.1 | 88.1 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | L106 F137 Y139 P180 A185 | L106-V183 HydrophobicContact CD1-CG1 4.37Å; L106-V183 HydrophobicContact CD2-CG1 3.43Å; L106-V183 VanDerWaalsContact CD2-CG1 3.43Å; L106-V183 HydrophobicContact CG-CG1 3.64Å; F137-V183 HydrophobicContact CD2-CG1 4.48Å; Y139-V183 HydrophobicContact CE1-CG1 4.09Å; Y139-V183 HydrophobicContact CE1-CG2 4.1Å; P180-V183 HydrophobicContact CB-CG2 4.49Å; P180-V183 HydrophobicContact CG-CG2 3.8Å; V183-A185 PolarHBondContact O-N 3.07Å | ||
| 184 | P | 44 | Very low | 35.7 | Very low | 23 Ų | 23 | 88.8 Ų | 88.8 | 15% | 0.149 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 134 | 174.2 | -25.9 | 35.3 | 0 | 0 | 0 | 111.5 | I98 F103 L106 Q182 | I98-P184 HydrophobicContact CB-CG 4.42Å; I98-P184 HydrophobicContact CG2-CB 4.43Å; I98-P184 HydrophobicContact CG2-CG 4.23Å; F103-P184 HydrophobicContact CB-CG 4.3Å; F103-P184 HydrophobicContact CD2-CG 3.99Å; F103-P184 HydrophobicContact CG-CG 4.39Å; L106-P184 PolarHBondContact N-O 2.92Å; Q182-P184 WeakPolarHBondContact O-CD 3.32Å |
| 185 | A | 41.1 | Very low | 35.9 | Very low | 78 Ų | 78 | 87.8 Ų | 87.8 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -58 | 148.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V183 P187 | V183-A185 PolarHBondContact O-N 3.07Å; A185-P187 WeakPolarHBondContact O-CD 3.37Å |
| 186 | A | 38.8 | Very low | 35.8 | Very low | 24 Ų | 24 | 94.9 Ų | 94.9 | 20% | 0.198 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 126.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T105 L106 P108 Q188 | T105-A186 HydrophobicContact CG2-CB 4.48Å; L106-A186 WeakPolarHBondContact O-CB 2.89Å; P108-A186 HydrophobicContact CB-CB 3.94Å; P108-A186 HydrophobicContact CG-CB 4.28Å; A186-Q188 PolarHBondContact O-N 3.37Å |
| 187 | P | 39.9 | Very low | 35.8 | Very low | 51 Ų | 51 | 90.2 Ų | 90.2 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 129.4 | 155 | -20.7 | 32.7 | 0 | 0 | 0 | 107.6 | F143 A185 T189 | F143-P187 HydrophobicContact CD1-CG 4.01Å; F143-P187 HydrophobicContact CE1-CG 3.98Å; A185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-T189 PolarHBondContact O-N 3.41Å |
| 188 | Q | 35.9 | Very low | 35 | Very low | 90 Ų | 90 | 91.4 Ų | 91.4 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | trans | -73.3 | 92.8 | -164.1 | -60.5 | -173.3 | -13.2 | 0 | 0 | 112 | A186 H190 R196 | A186-Q188 PolarHBondContact O-N 3.37Å; Q188-H190 VanDerWaalsContact CB-CD2 3.45Å; Q188-H190 WeakPolarHBondContact CB-CD2 3.06Å; Q188-H190 WeakPolarHBondContact CB-NE2 3.16Å; Q188-H190 PolarHBondContact O-CD2 3.32Å; Q188-H190 PolarHBondContact O-N 3.13Å; Q188-H190 PolarHBondContact OE1-NE2 3.06Å; Q188-R196 PolarHBondContact NE2-O 2.72Å | ||
| 189 | T | 34.5 | Very low | 34.5 | Very low | 73 Ų | 73 | 91.3 Ų | 91.3 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | trans | -73.5 | 72.5 | 176.9 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | P108 P187 Q191 | P108-T189 WeakPolarHBondContact CG-OG1 3.45Å; P187-T189 PolarHBondContact O-N 3.41Å; T189-Q191 PolarHBondContact O-N 2.74Å | ||
| 190 | H | 37.8 | Very low | 33.6 | Very low | 72 Ų | 72 | 91.3 Ų | 91.3 | 33% | 0.333 | 53% | 0.526 | S | S | . | . | trans | -72.9 | 112 | -175.3 | -78.9 | -77.8 | 0 | 0 | 0 | 113.4 | Q188 G192 | Q188-H190 VanDerWaalsContact CB-CD2 3.45Å; Q188-H190 WeakPolarHBondContact CB-CD2 3.06Å; Q188-H190 WeakPolarHBondContact CB-NE2 3.16Å; Q188-H190 PolarHBondContact O-CD2 3.32Å; Q188-H190 PolarHBondContact O-N 3.13Å; Q188-H190 PolarHBondContact OE1-NE2 3.06Å; H190-G192 PolarHBondContact ND1-O 2.89Å | ||
| 191 | Q | 28.1 | Very low | 32.5 | Very low | 201 Ų | 201 | 96.8 Ų | 96.8 | 94% | 0.939 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -93.4 | 100.7 | 146.7 | -73.6 | -169.6 | -1.2 | 0 | 0 | 108.8 | T189 | T189-Q191 PolarHBondContact O-N 2.74Š|
| 192 | G | 23.8 | Very low | 31.5 | Very low | 58 Ų | 58 | 94.8 Ų | 94.8 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 96.6 | 141.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H190 | H190-G192 PolarHBondContact ND1-O 2.89Š|
| 193 | A | 23.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 95.5 Ų | 95.5 | 77% | 0.769 | 59% | 0.588 | S | S | * | * | trans | -86.7 | 136.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 194 | L | 23.5 | Very low | 29.1 | Very low | 146 Ų | 146 | 97.9 Ų | 97.9 | 76% | 0.764 | 61% | 0.613 | S | S | * | * | -173.8 | 159.8 | 98.8 | -91 | 174.3 | 0 | 0 | 0 | 110.3 | |||||
| 195 | P | 29.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 100 Ų | 100 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | trans | -94.5 | 142.2 | -160.5 | 35.1 | -35.1 | 0 | 0 | 0 | 114.6 | ||||
| 196 | R | 21.8 | Very low | 27.4 | Very low | 205 Ų | 205 | 103.4 Ų | 103.4 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | trans | -162.5 | 114.7 | 139.9 | -123.5 | 171.3 | 170.3 | 168.3 | -4.3 | 111 | Q188 | Q188-R196 PolarHBondContact NE2-O 2.72Š| ||
| 197 | V | 24.9 | Very low | 26.8 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | trans | -71.4 | 131.2 | 160.2 | 176.4 | 0 | 0 | 0 | 0 | 107.1 | V199 | V197-V199 HydrophobicContact CG1-CG2 3.88Š| ||
| 198 | L | 20.6 | Very low | 26 | Very low | 143 Ų | 143 | 115.6 Ų | 115.6 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -129.8 | 61.9 | -178.5 | -136.3 | 168.5 | 0 | 0 | 0 | 110.1 | ||||
| 199 | V | 26.5 | Very low | 25.4 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -84 | 108.1 | 167.1 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | V197 | V197-V199 HydrophobicContact CG1-CG2 3.88Š| ||
| 200 | G | 20.3 | Very low | 25 | Very low | 42 Ų | 42 | 124 Ų | 124 | 43% | 0.433 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -172.9 | 155.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A202 | G200-A202 PolarHBondContact O-N 3.24Š|
| 201 | P | 24.3 | Very low | 24.4 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -78.2 | 30.5 | -160 | 32.1 | -37.9 | 0 | 0 | 0 | 115.7 | A203 | P201-A203 VanDerWaalsContact C-N 3.34Å; P201-A203 PolarHBondContact O-N 3.06Å |
| 202 | A | 21.5 | Very low | 24.2 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -1.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G200 | G200-A202 PolarHBondContact O-N 3.24Š|
| 203 | A | 26.2 | Very low | 24.3 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 0.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P201 G205 | P201-A203 VanDerWaalsContact C-N 3.34Å; P201-A203 PolarHBondContact O-N 3.06Å; A203-G205 PolarHBondContact O-N 3.15Å |
| 204 | A | 25.1 | Very low | 24.5 | Very low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 61.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 205 | G | 24 | Very low | 24.6 | Very low | 69 Ų | 69 | 116.3 Ų | 116.3 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.5 | -4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | A203 | A203-G205 PolarHBondContact O-N 3.15Š|
| 206 | L | 25.4 | Very low | 24.8 | Very low | 149 Ų | 149 | 113.2 Ų | 113.2 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | trans | -149 | 22.1 | 179.8 | -113.8 | 158.5 | 0 | 0 | 0 | 115.6 | R208 | L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 2.84Å | ||
| 207 | A | 26.2 | Very low | 25.1 | Very low | 106 Ų | 106 | 105.7 Ų | 105.7 | 88% | 0.876 | 63% | 0.627 | S | S | * | * | trans | -68.7 | 86.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 208 | R | 23.6 | Very low | 25.2 | Very low | 224 Ų | 224 | 103.3 Ų | 103.3 | 85% | 0.845 | 62% | 0.621 | S | S | * | * | trans | -72.7 | 160.8 | 160.2 | -71.4 | -170.8 | 173.5 | -166.9 | -0.9 | 109.4 | L206 | L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 2.84Å | ||
| 209 | R | 22.5 | Very low | 25.5 | Very low | 227 Ų | 227 | 99.2 Ų | 99.2 | 86% | 0.857 | 61% | 0.608 | S | S | * | * | trans | -61.9 | 145 | -168 | -65.9 | 179.3 | 178.9 | 172.6 | -1.7 | 112.1 | E211 | R209-E211 VanDerWaalsContact C-N 3.34Å; R209-E211 PolarHBondContact O-N 3.41Å | ||
| 210 | P | 26.6 | Very low | 25.7 | Very low | 114 Ų | 114 | 100.3 Ų | 100.3 | 74% | 0.74 | 60% | 0.604 | S | S | * | * | trans | -78.1 | 82.1 | 177.8 | 33.3 | -35.4 | 0 | 0 | 0 | 111 | ||||
| 211 | E | 24.2 | Very low | 26.2 | Very low | 147 Ų | 147 | 101.8 Ų | 101.8 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | trans | -121.5 | 129.6 | 153.7 | -71.4 | -171.8 | 94.5 | 0 | 0 | 107.2 | R209 | R209-E211 VanDerWaalsContact C-N 3.34Å; R209-E211 PolarHBondContact O-N 3.41Å | ||
| 212 | E | 24.3 | Very low | 26.3 | Very low | 160 Ų | 160 | 98.1 Ų | 98.1 | 75% | 0.748 | 58% | 0.575 | S | S | * | * | trans | 64.7 | 93 | 172.8 | -57.2 | 175 | 175.1 | 0 | 0 | 115.6 | ||||
| 213 | A | 26.2 | Very low | 26.6 | Very low | 16 Ų | 16 | 99 Ų | 99 | 13% | 0.132 | 57% | 0.573 | C | S | . | * | trans | -140 | 149.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | D136 E178 P179 | D136-A213 WeakPolarHBondContact OD2-CA 3.43Å; D136-A213 VanDerWaalsContact OD2-CB 3.25Å; D136-A213 WeakPolarHBondContact OD2-CB 3.44Å; E178-A213 CarbonylContact C-O 3.59Å; P179-A213 WeakPolarHBondContact CA-O 3.41Å; P179-A213 HydrophobicContact CB-CB 3.74Å | ||
| 214 | E | 27 | Very low | 26.8 | Very low | 36 Ų | 36 | 98.6 Ų | 98.6 | 17% | 0.168 | 58% | 0.577 | C | S | . | * | trans | -119.6 | 120.4 | -167 | -52 | -162.9 | 141 | 0 | 0 | 113.9 | Y139 R177 H216 | Y139-E214 WeakPolarHBondContact CE2-O 3.49Å; R177-E214 WeakPolarHBondContact CD-OE1 3.23Å; R177-E214 IonicContact CZ-OE1 2.72Å; R177-E214 IonicContact CZ-OE2 3.56Å; R177-E214 IonicContact NE-OE1 2.76Å; R177-E214 IonicContact NH1-OE1 3.49Å; R177-E214 PolarHBondContact NH1-OE1 3.44Å; R177-E214 IonicContact NH1-OE2 2.72Å; R177-E214 PolarHBondContact NH1-OE2 2.75Å; E214-H216 PolarHBondContact O-N 2.81Å; E214-H216 IonicContact OE2-CD2 3.04Å; E214-H216 IonicContact OE2-NE2 3.64Å | ||
| 215 | V | 26.8 | Very low | 27 | Very low | 49 Ų | 49 | 95.9 Ų | 95.9 | 30% | 0.297 | 56% | 0.559 | S | S | . | * | trans | -87.5 | 90.8 | 177.3 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | L102 Y139 P180 | L102-V215 HydrophobicContact CD2-CG2 4.48Å; Y139-V215 HydrophobicContact CD2-CG1 4.37Å; Y139-V215 HydrophobicContact CE2-CG2 4.42Å; P180-V215 HydrophobicContact CB-CG2 4.04Å; P180-V215 HydrophobicContact CG-CG2 3.77Å | ||
| 216 | H | 32 | Very low | 27.2 | Very low | 39 Ų | 39 | 98.6 Ų | 98.6 | 18% | 0.181 | 56% | 0.564 | C | S | . | * | trans | -107 | 103.3 | 172.6 | -81.7 | -80.7 | 0 | 0 | 0 | 112.2 | I130 E214 G218 | I130-H216 HydrophobicContact CD1-CB 3.8Å; E214-H216 PolarHBondContact O-N 2.81Å; E214-H216 IonicContact OE2-CD2 3.04Å; E214-H216 IonicContact OE2-NE2 3.64Å; H216-G218 PolarHBondContact O-N 2.8Å | ||
| 217 | C | 29 | Very low | 27.2 | Very low | 46 Ų | 46 | 100.3 Ų | 100.3 | 31% | 0.311 | 57% | 0.568 | S | S | . | * | trans | -71.9 | 93.6 | 171.9 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | M63 A219 | M63-C217 HydrophobicContact CE-CB 4.36Å; C217-A219 PolarHBondContact O-N 2.89Å; C217-A219 VanDerWaalsContact O-N 3.09Å | ||
| 218 | G | 26.4 | Very low | 27.3 | Very low | 42 Ų | 42 | 99.4 Ų | 99.4 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | trans | -64.6 | 105 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H216 | H216-G218 PolarHBondContact O-N 2.8Š| ||
| 219 | A | 28.5 | Very low | 27.5 | Very low | 57 Ų | 57 | 94 Ų | 94 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | trans | -98.9 | 118.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | M60 C217 E221 | M60-A219 HydrophobicContact CG-CB 4.21Å; C217-A219 PolarHBondContact O-N 2.89Å; C217-A219 VanDerWaalsContact O-N 3.09Å; A219-E221 PolarHBondContact O-N 2.97Å | ||
| 220 | Q | 29.9 | Very low | 27.9 | Very low | 166 Ų | 166 | 88.8 Ų | 88.8 | 78% | 0.776 | 54% | 0.543 | S | S | * | . | trans | -78.3 | 109.4 | -173.4 | -164.5 | 161.6 | 27.9 | 0 | 0 | 111.7 | ||||
| 221 | E | 30.5 | Very low | 27.8 | Very low | 72 Ų | 72 | 85.4 Ų | 85.4 | 34% | 0.336 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 128.1 | 179.3 | -83.4 | -110.7 | 110 | 0 | 0 | 112.3 | R123 A219 | R123-E221 VanDerWaalsContact NH2-CB 3.32Å; R123-E221 IonicContact NH2-OE2 2.76Å; A219-E221 PolarHBondContact O-N 2.97Å |
| 222 | P | 26.8 | Very low | 28 | Very low | 49 Ų | 49 | 83.7 Ų | 83.7 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -75 | 150.6 | 168 | 32.2 | -33.6 | 0 | 0 | 0 | 111 | ||
| 223 | P | 26.7 | Very low | 28 | Very low | 120 Ų | 120 | 81.3 Ų | 81.3 | 78% | 0.779 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 137.4 | 176.5 | 27.9 | -34.5 | 0 | 0 | 0 | 111.6 | ||
| 224 | G | 31.7 | Very low | 28.1 | Very low | 83 Ų | 83 | 82.2 Ų | 82.2 | 86% | 0.856 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | 15.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 225 | G | 29.2 | Very low | 28.4 | Very low | 43 Ų | 43 | 84.3 Ų | 84.3 | 44% | 0.443 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 154.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 226 | P | 26.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 90.8 Ų | 90.8 | 82% | 0.818 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 162.1 | 166 | 31.7 | -35.4 | 0 | 0 | 0 | 110.9 | ||
| 227 | E | 25.7 | Very low | 28.5 | Very low | 184 Ų | 184 | 95 Ų | 95 | 86% | 0.86 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -53 | 144.1 | -168.6 | -66.6 | -164.8 | 129.9 | 0 | 0 | 115 | V229 | E227-V229 PolarHBondContact O-N 3.37Š|
| 228 | P | 28.4 | Very low | 28.4 | Very low | 88 Ų | 88 | 95.4 Ų | 95.4 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127.4 | 179.6 | 27.4 | -34.7 | 0 | 0 | 0 | 111 | S230 | P228-S230 PolarHBondContact O-N 2.72Š|
| 229 | V | 27.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 97.3 Ų | 97.3 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 118.5 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | E227 G231 | E227-V229 PolarHBondContact O-N 3.37Å; V229-G231 PolarHBondContact O-N 2.76Å; V229-G231 VanDerWaalsContact O-N 3.12Å |
| 230 | S | 31.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 104.4 Ų | 104.4 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -55.5 | 115.3 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | P228 | P228-S230 PolarHBondContact O-N 2.72Š|
| 231 | G | 25.3 | Very low | 28.2 | Very low | 44 Ų | 44 | 105.3 Ų | 105.3 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | trans | -166.1 | -23.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117 | V229 | V229-G231 PolarHBondContact O-N 2.76Å; V229-G231 VanDerWaalsContact O-N 3.12Å | ||
| 232 | C | 27.9 | Very low | 28.6 | Very low | 110 Ų | 110 | 107 Ų | 107 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -2 | -176 | -61.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 233 | Q | 25.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.8 | 11.3 | -174.2 | -74.7 | 176.2 | -5.9 | 0 | 0 | 114.5 | ||
| 234 | G | 26.4 | Very low | 28.6 | Very low | 34 Ų | 34 | 115.9 Ų | 115.9 | 35% | 0.351 | 66% | 0.663 | S | S | . | * | trans | -145.1 | 17.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | W236 E237 G238 | G234-W236 PolarHBondContact O-N 3.01Å; G234-E237 PolarHBondContact O-N 3.21Å; G234-E237 VanDerWaalsContact O-N 3.15Å; G234-G238 PolarHBondContact O-N 2.73Å | ||
| 235 | L | 34.1 | Very low | 28.8 | Very low | 81 Ų | 81 | 117.5 Ų | 117.5 | 42% | 0.424 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -12.4 | -168.6 | -79.4 | 161.6 | 0 | 0 | 0 | 115.5 | ||
| 236 | W | 32.2 | Very low | 28.8 | Very low | 185 Ų | 185 | 120.5 Ų | 120.5 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -7 | 176 | -68.2 | 104.1 | 0 | 0 | 0 | 114.6 | L102 G234 | L102-W236 HydrophobicContact CD1-CZ2 4.37Å; G234-W236 PolarHBondContact O-N 3.01Å |
| 237 | E | 29.7 | Very low | 28.6 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -3.9 | 176.3 | -61.7 | -168.9 | 111.5 | 0 | 0 | 113.1 | A175 G234 C239 | A175-E237 HydrophobicContact CB-CG 4.41Å; G234-E237 PolarHBondContact O-N 3.21Å; G234-E237 VanDerWaalsContact O-N 3.15Å; E237-C239 VanDerWaalsContact C-N 3.32Å; E237-C239 PolarHBondContact O-N 2.9Å |
| 238 | G | 25.8 | Very low | 28.4 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 58% | 0.577 | 66% | 0.655 | S | S | * | * | trans | -71.4 | 0.8 | -160.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | G234 R240 | G234-G238 PolarHBondContact O-N 2.73Å; G238-R240 PolarHBondContact O-N 3.45Å | ||
| 239 | C | 31.4 | Very low | 28 | Very low | 82 Ų | 82 | 114.5 Ų | 114.5 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | trans | -72.6 | 77.5 | -170.5 | -73.6 | 0 | 0 | 0 | 0 | 114.6 | E71 E237 | E71-C239 VanDerWaalsContact OE1-CA 3.32Å; E71-C239 WeakPolarHBondContact OE1-CA 3.28Å; E237-C239 VanDerWaalsContact C-N 3.32Å; E237-C239 PolarHBondContact O-N 2.9Å | ||
| 240 | R | 24 | Very low | 27.8 | Very low | 205 Ų | 205 | 118.9 Ų | 118.9 | 77% | 0.774 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -165 | 72.3 | 171 | -107.1 | 150.1 | -144.3 | -152.5 | 5.8 | 117.9 | G238 | G238-R240 PolarHBondContact O-N 3.45Š|
| 241 | Q | 25.6 | Very low | 27.5 | Very low | 185 Ų | 185 | 116.7 Ų | 116.7 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | trans | 76.3 | 157.2 | 144.4 | -67.6 | -164.2 | -7.1 | 0 | 0 | 121.6 | ||||
| 242 | P | 37.8 | Very low | 27.6 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | trans | -134.1 | 178 | -148.9 | 44.2 | -28.5 | 0 | 0 | 0 | 117.4 | ||||
| 243 | R | 25.8 | Very low | 27.5 | Very low | 246 Ų | 246 | 121.8 Ų | 121.8 | 93% | 0.928 | 64% | 0.643 | S | S | * | * | -176.2 | 162.8 | 129.9 | -99.8 | 168.7 | -166.2 | -137.8 | 3.2 | 114.1 | |||||
| 244 | P | 28.6 | Very low | 27.4 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 71% | 0.714 | 62% | 0.62 | S | S | * | * | trans | -129.6 | -161.5 | -162.7 | 47.2 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 245 | P | 36.3 | Very low | 27.6 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 75% | 0.753 | 61% | 0.613 | S | S | * | * | cis | -110.2 | -109.4 | -25 | 33.3 | -13 | 0 | 0 | 0 | 108.2 | ||||
| 246 | P | 28.9 | Very low | 27.5 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | cis | -99.7 | -149.1 | -45.7 | 37.9 | -21.2 | 0 | 0 | 0 | 111.2 | ||||
| 247 | A | 22.9 | Very low | 27.4 | Very low | 57 Ų | 57 | 105.1 Ų | 105.1 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | cis | -149 | 174.7 | -6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R50 | R50-A247 PolarHBondContact NH2-O 2.86Š| ||
| 248 | L | 21.5 | Very low | 27.7 | Very low | 171 Ų | 171 | 99.1 Ų | 99.1 | 90% | 0.895 | 53% | 0.534 | S | S | * | . | trans | 30.7 | 132.5 | 152.2 | -68.3 | 169.1 | 0 | 0 | 0 | 121.8 | ||||
| 249 | G | 20.1 | Very low | 28.1 | Very low | 44 Ų | 44 | 96.4 Ų | 96.4 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | trans | 128 | 77.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 250 | F | 22.6 | Very low | 27.8 | Very low | 202 Ų | 202 | 92.6 Ų | 92.6 | 89% | 0.886 | 48% | 0.481 | S | S | * | . | trans | 66.1 | 177 | 158.4 | -67.2 | -80.9 | 0 | 0 | 0 | 118.5 | ||||
| 251 | S | 24.4 | Very low | 28 | Very low | 70 Ų | 70 | 83.4 Ų | 83.4 | 49% | 0.49 | 45% | 0.448 | S | S | . | . | trans | -126.8 | 164.9 | -131.6 | 172.6 | 0 | 0 | 0 | 0 | 116.3 | D28 Q29 | D28-S251 PolarHBondContact OD2-OG 3.11Å; Q29-S251 PolarHBondContact NE2-OG 2.7Å | ||
| 252 | R | 27.6 | Very low | 28.2 | Very low | 190 Ų | 190 | 77 Ų | 77 | 72% | 0.717 | 42% | 0.423 | S | S | * | . | trans | 103.8 | 92.7 | 162.5 | -58.1 | -175 | 179.9 | -169.8 | 1 | 116 | D28 | D28-R252 VanDerWaalsContact OD2-CA 3.31Å; D28-R252 WeakPolarHBondContact OD2-CA 3.28Å; D28-R252 PolarHBondContact OD2-N 2.98Å | ||
| 253 | T | 25.4 | Very low | 27.6 | Very low | 72 Ų | 72 | 75.9 Ų | 75.9 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | 168.1 | 99.5 | 115.8 | 33.5 | 0 | 0 | 0 | 0 | 112.8 | D28 | D28-T253 PolarHBondContact OD1-N 3.15Š| |||
| 254 | G | 23.8 | Very low | 27.4 | Very low | 4 Ų | 4 | 70.3 Ų | 70.3 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | trans | -72.1 | 143.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1 F26 D28 | V1-G254 PolarHBondContact N-O 2.84Å; F26-G254 CarbonylContact O-C 3.36Å; F26-G254 WeakPolarHBondContact O-CA 3.4Å; D28-G254 PolarHBondContact OD1-N 3.31Å | ||
| 255 | K | 31.6 | Very low | 27.2 | Very low | 45 Ų | 45 | 78 Ų | 78 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 157.5 | 178 | -62.7 | -161.6 | 164.9 | -152.9 | 0 | 110.2 | F26 D85 V86 D87 | F26-K255 CarbonylContact C-O 3.51Å; F26-K255 WeakPolarHBondContact CA-O 3.4Å; F26-K255 VanDerWaalsContact CB-O 3.26Å; F26-K255 WeakPolarHBondContact CB-O 3.21Å; F26-K255 PolarHBondContact N-O 3.01Å; F26-K255 PolarHBondContact O-N 3.49Å; D85-K255 WeakPolarHBondContact OD1-CD 3.5Å; D85-K255 WeakPolarHBondContact OD1-CE 3.16Å; D85-K255 IonicContact OD1-NZ 3.89Å; D85-K255 PolarHBondContact OD1-NZ 2.87Å; V86-K255 HydrophobicContact CB-CB 4.45Å; V86-K255 HydrophobicContact CB-CG 4.49Å; V86-K255 HydrophobicContact CG1-CB 4.33Å; V86-K255 HydrophobicContact CG1-CG 3.87Å; D87-K255 IonicContact OD1-NZ 3.69Å |
| 256 | L | 32 | Very low | 26.7 | Very low | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.7 | -163.7 | 152.4 | 65.5 | 0 | 0 | 0 | 111.4 | L4 F7 L8 Y24 V25 V84 V86 F258 | L4-L256 HydrophobicContact CD2-CB 4.21Å; L4-L256 HydrophobicContact CD2-CD2 4.17Å; F7-L256 HydrophobicContact CD1-CD2 3.72Å; F7-L256 HydrophobicContact CE1-CB 4.2Å; F7-L256 HydrophobicContact CE1-CD2 3.7Å; F7-L256 HydrophobicContact CE1-CG 4.03Å; L8-L256 HydrophobicContact CD2-CD2 3.73Å; L8-L256 HydrophobicContact CG-CD2 4.25Å; Y24-L256 VanDerWaalsContact N-CD1 3.32Å; Y24-L256 VanDerWaalsContact O-CD1 3.31Å; Y24-L256 WeakPolarHBondContact O-CD1 3.41Å; V25-L256 HydrophobicContact CB-CD1 4.49Å; V25-L256 HydrophobicContact CG2-CD1 3.89Å; V25-L256 HydrophobicContact CG2-CD2 4.26Å; V25-L256 HydrophobicContact CG2-CG 4.47Å; V84-L256 VanDerWaalsContact O-O 3.11Å; V86-L256 HydrophobicContact CG2-CB 4.49Å; L256-F258 HydrophobicContact CD2-CE1 4.45Å; L256-F258 HydrophobicContact CD2-CE2 4.32Å; L256-F258 HydrophobicContact CD2-CZ 3.98Å; L256-F258 HydrophobicContact CG-CE2 4.03Å; L256-F258 HydrophobicContact CG-CZ 4.19Å |
| 257 | C | 30.6 | Very low | 26.6 | Very low | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.061 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144.6 | 167.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | Y24 F26 | Y24-C257 PolarHBondContact N-O 2.86Å; Y24-C257 PolarHBondContact O-N 3.12Å; F26-C257 HydrophobicContact CE2-CB 3.94Å |
| 258 | F | 35.5 | Very low | 26.8 | Very low | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141.3 | -179.2 | -57.7 | -109.3 | 0 | 0 | 0 | 109.1 | F7 A11 F15 Y23 V82 V84 F90 L256 | F7-F258 AromaticContact CD1-CZ 3.98Å; F7-F258 HydrophobicContact CD1-CZ 3.98Å; F7-F258 HydrophobicContact CD2-CZ 4.5Å; F7-F258 AromaticContact CE1-CE2 3.49Å; F7-F258 HydrophobicContact CE1-CE2 3.49Å; F7-F258 VanDerWaalsContact CE1-CE2 3.49Å; F7-F258 AromaticContact CE1-CZ 3.36Å; F7-F258 HydrophobicContact CE1-CZ 3.36Å; F7-F258 HydrophobicContact CE2-CE2 4.23Å; F7-F258 AromaticContact CE2-CZ 3.96Å; F7-F258 HydrophobicContact CE2-CZ 3.96Å; F7-F258 AromaticContact CZ-CE2 3.34Å; F7-F258 HydrophobicContact CZ-CE2 3.34Å; F7-F258 AromaticContact CZ-CZ 3.39Å; F7-F258 HydrophobicContact CZ-CZ 3.39Å; A11-F258 HydrophobicContact CB-CE1 3.82Å; F15-F258 AromaticContact CD1-CD1 3.87Å; F15-F258 HydrophobicContact CD1-CD1 3.87Å; F15-F258 HydrophobicContact CE1-CB 3.75Å; F15-F258 AromaticContact CE1-CD1 3.82Å; F15-F258 HydrophobicContact CE1-CD1 3.82Å; F15-F258 HydrophobicContact CE1-CG 4.13Å; F15-F258 HydrophobicContact CZ-CB 3.84Å; F15-F258 HydrophobicContact CZ-CD1 4.41Å; F15-F258 HydrophobicContact CZ-CG 4.35Å; Y23-F258 AromaticContact CD1-CD1 3.42Å; Y23-F258 HydrophobicContact CD1-CD1 3.42Å; Y23-F258 VanDerWaalsContact CD1-CD1 3.42Å; Y23-F258 AromaticContact CD1-CE1 3.6Å; Y23-F258 HydrophobicContact CD1-CE1 3.6Å; Y23-F258 HydrophobicContact CD1-CG 4.39Å; Y23-F258 AromaticContact CE1-CD1 3.43Å; Y23-F258 HydrophobicContact CE1-CD1 3.43Å; Y23-F258 VanDerWaalsContact CE1-CD1 3.43Å; Y23-F258 AromaticContact CE1-CE1 3.48Å; Y23-F258 HydrophobicContact CE1-CE1 3.48Å; Y23-F258 VanDerWaalsContact CE1-CE1 3.48Å; V82-F258 CarbonylContact C-O 3.52Å; V82-F258 WeakPolarHBondContact CA-O 3.28Å; V82-F258 HydrophobicContact CB-CB 4.28Å; V82-F258 PolarHBondContact N-O 3.14Å; V82-F258 WeakPolarHBondContact O-CA 3.5Å; V82-F258 WeakPolarHBondContact O-CB 3.41Å; V82-F258 PolarHBondContact O-N 2.88Å; V84-F258 HydrophobicContact CB-CD2 4.22Å; V84-F258 HydrophobicContact CB-CE2 3.96Å; V84-F258 HydrophobicContact CG2-CD2 4.04Å; V84-F258 HydrophobicContact CG2-CE2 4.18Å; F90-F258 HydrophobicContact CE2-CE1 4.18Å; F90-F258 AromaticContact CE2-CZ 3.96Å; F90-F258 HydrophobicContact CE2-CZ 3.96Å; F90-F258 HydrophobicContact CZ-CE1 4.24Å; F90-F258 HydrophobicContact CZ-CZ 4.09Å; L256-F258 HydrophobicContact CD2-CE1 4.45Å; L256-F258 HydrophobicContact CD2-CE2 4.32Å; L256-F258 HydrophobicContact CD2-CZ 3.98Å; L256-F258 HydrophobicContact CG-CE2 4.03Å; L256-F258 HydrophobicContact CG-CZ 4.19Å |
| 259 | L | 34.6 | Very low | 27.1 | Very low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.8 | 171.4 | -54.4 | -179.4 | 0 | 0 | 0 | 110.2 | H22 Y24 F74 V78 Y80 L81 | H22-L259 PolarHBondContact N-O 3.09Å; H22-L259 PolarHBondContact O-N 3.44Å; Y24-L259 HydrophobicContact CD2-CB 4.33Å; Y24-L259 HydrophobicContact CD2-CD1 3.58Å; Y24-L259 HydrophobicContact CD2-CG 3.68Å; Y24-L259 HydrophobicContact CE1-CD1 4.3Å; Y24-L259 HydrophobicContact CE2-CB 3.85Å; Y24-L259 HydrophobicContact CE2-CD1 3Å; Y24-L259 HydrophobicContact CE2-CG 3.44Å; Y24-L259 VanDerWaalsContact CE2-CG 3.44Å; Y24-L259 HydrophobicContact CG-CD1 4.42Å; F74-L259 HydrophobicContact CB-CD1 3.83Å; F74-L259 HydrophobicContact CD1-CD1 3.35Å; F74-L259 HydrophobicContact CD2-CD1 4.25Å; F74-L259 HydrophobicContact CD2-CD2 4.37Å; F74-L259 HydrophobicContact CE1-CD1 3.91Å; F74-L259 HydrophobicContact CG-CD1 3.55Å; F74-L259 HydrophobicContact CG-CD2 4.38Å; V78-L259 HydrophobicContact CB-CB 3.89Å; V78-L259 HydrophobicContact CB-CD1 4.14Å; V78-L259 HydrophobicContact CG1-CB 3.54Å; V78-L259 HydrophobicContact CG1-CD1 3.79Å; V78-L259 HydrophobicContact CG1-CG 4.28Å; V78-L259 HydrophobicContact CG2-CB 3.76Å; V78-L259 HydrophobicContact CG2-CD1 3.32Å; V78-L259 HydrophobicContact CG2-CD2 4.06Å; V78-L259 HydrophobicContact CG2-CG 3.9Å; Y80-L259 WeakPolarHBondContact O-CA 3.23Å; L81-L259 HydrophobicContact CB-CD2 3.72Å; L81-L259 HydrophobicContact CD1-CD2 3.27Å; L81-L259 HydrophobicContact CG-CD2 4.05Å |
| 260 | C | 25.3 | Very low | 27.6 | Very low | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 111.3 | 175.7 | -163.8 | 0 | 0 | 0 | 0 | 109 | R20 D79 Y80 | R20-C260 PolarHBondContact O-SG 2.66Å; D79-C260 PolarHBondContact N-O 3.16Å; Y80-C260 PolarHBondContact N-O 3.11Å; Y80-C260 VanDerWaalsContact N-O 3.13Å; Y80-C260 PolarHBondContact O-N 3.25Å |
| 261 | P | 26.5 | Very low | 27.9 | Very low | 12 Ų | 12 | 62.8 Ų | 62.8 | 8% | 0.078 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 133.2 | 152.2 | -15.2 | 25.5 | 0 | 0 | 0 | 109.3 | R20 V78 D79 | R20-P261 HydrophobicContact CB-CB 3.88Å; R20-P261 HydrophobicContact CB-CG 3.92Å; R20-P261 WeakPolarHBondContact O-CD 3.37Å; V78-P261 HydrophobicContact CG1-CG 4.04Å; D79-P261 VanDerWaalsContact OD2-CA 3.29Å; D79-P261 WeakPolarHBondContact OD2-CA 3.26Å |
| 262 | S | 29.6 | Very low | 28.1 | Very low | 50 Ų | 50 | 62.3 Ų | 62.3 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 168.8 | -170.1 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | D79 C264 | D79-S262 PolarHBondContact OD2-N 2.99Å; D79-S262 PolarHBondContact OD2-OG 3.01Å; S262-C264 PolarHBondContact O-N 3.36Å |
| 263 | C | 26.4 | Very low | 28.2 | Very low | 86 Ų | 86 | 52.5 Ų | 52.5 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 123.3 | 163.2 | -79.6 | 0 | 0 | 0 | 0 | 111.3 | H19 | H19-C263 PolarHBondContact CE1-SG 3.18Å; H19-C263 PolarHBondContact ND1-SG 2.97Å |
| 264 | C | 21 | Very low | 28.4 | Very low | 129 Ų | 129 | 50.8 Ų | 50.8 | 87% | 0.872 | 29% | 0.289 | S | S | * | . | -148.8 | 162.4 | 124.8 | -94.1 | 0 | 0 | 0 | 0 | 107.4 | S262 | S262-C264 PolarHBondContact O-N 3.36Š| |||
| 265 | E | 24.2 | Very low | 28.8 | Very low | 272 Ų | 272 | 55.1 Ų | 55.1 | 100% | 1.271 | 31% | 0.311 | S | S | * | . | trans | -74.1 | 0 | 168.9 | -65 | 178.6 | 107.7 | 0 | 0 | 111.5 |
Retrieved 265 of 265 residues in 425.2 ms
(Link to these results)