| 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 | K | 89.8 | Confident | 92 | Very high | 195 Ų | 195 | 69.8 Ų | 69.8 | 85% | 0.848 | 42% | 0.417 | S | S | * | . | 0 | 132.7 | 0 | -177.7 | 172.3 | -176.2 | 178 | 0 | 109 | S54 | K1-S54 WeakPolarHBondContact CE-O 3.45Š| |||
| 2 | A | 91.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 12% | 0.116 | 39% | 0.387 | C | S | . | . | trans | -91.6 | 151 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y5 F7 S55 | A2-Y5 HydrophobicContact CB-CE1 3.93Å; A2-Y5 HydrophobicContact CB-CE2 4.27Å; A2-Y5 WeakPolarHBondContact CB-OH 3.44Å; A2-F7 HydrophobicContact CB-CB 4.17Å; A2-F7 HydrophobicContact CB-CD2 3.35Å; A2-F7 HydrophobicContact CB-CE2 3.99Å; A2-F7 HydrophobicContact CB-CG 3.98Å; A2-S55 PolarHBondContact N-O 2.86Å | ||
| 3 | S | 90.8 | Very high | 92.7 | Very high | 103 Ų | 103 | 60.2 Ų | 60.2 | 72% | 0.72 | 36% | 0.358 | S | S | * | . | trans | -152.9 | 155.9 | 174.7 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | Y5 | S3-Y5 VanDerWaalsContact C-N 3.34Å; S3-Y5 WeakPolarHBondContact O-CD1 3.24Å; S3-Y5 WeakPolarHBondContact O-CE1 3.46Å; S3-Y5 PolarHBondContact O-N 3.01Å | ||
| 4 | G | 91 | Very high | 93 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 91% | 0.907 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 77.9 | 9.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 5 | Y | 89.4 | Confident | 93.3 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -158.5 | 166 | 174.3 | 63.8 | -85.4 | 0 | 0 | 0 | 111.4 | A2 S3 F7 Y10 M12 R76 | A2-Y5 HydrophobicContact CB-CE1 3.93Å; A2-Y5 HydrophobicContact CB-CE2 4.27Å; A2-Y5 WeakPolarHBondContact CB-OH 3.44Å; S3-Y5 VanDerWaalsContact C-N 3.34Å; S3-Y5 WeakPolarHBondContact O-CD1 3.24Å; S3-Y5 WeakPolarHBondContact O-CE1 3.46Å; S3-Y5 PolarHBondContact O-N 3.01Å; Y5-F7 HydrophobicContact CE2-CD2 4.36Å; Y5-F7 PolarHBondContact O-N 3.24Å; Y5-Y10 AromaticContact CD2-CD2 3.42Å; Y5-Y10 HydrophobicContact CD2-CD2 3.42Å; Y5-Y10 VanDerWaalsContact CD2-CD2 3.42Å; Y5-Y10 AromaticContact CD2-CE2 3.64Å; Y5-Y10 HydrophobicContact CD2-CE2 3.64Å; Y5-Y10 AromaticContact CE2-CD2 3.71Å; Y5-Y10 HydrophobicContact CE2-CD2 3.71Å; Y5-Y10 HydrophobicContact CE2-CE2 4.37Å; Y5-Y10 HydrophobicContact CE2-CG 4.49Å; Y5-Y10 HydrophobicContact CG-CD2 4.43Å; Y5-Y10 HydrophobicContact CG-CE2 4.29Å; Y5-M12 WeakPolarHBondContact OH-CE 3.48Å; Y5-R76 VanDerWaalsContact CD1-NH1 3.27Å; Y5-R76 VanDerWaalsContact CE2-CD 3.45Å; Y5-R76 HydrophobicContact CE2-CG 4.28Å |
| 6 | T | 93.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | trans | -69.9 | 100.2 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | T8 S9 | T6-T8 PolarHBondContact O-N 3.24Å; T6-T8 VanDerWaalsContact O-N 3.11Å; T6-S9 WeakPolarHBondContact CB-OG 3.28Å; T6-S9 VanDerWaalsContact CG2-OG 3.31Å; T6-S9 WeakPolarHBondContact CG2-OG 3.33Å; T6-S9 WeakPolarHBondContact O-CB 3.48Å; T6-S9 PolarHBondContact O-N 2.97Å | ||
| 7 | F | 94 | Very high | 93.8 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -54.4 | -33.2 | -174.1 | 175.4 | -123.1 | 0 | 0 | 0 | 113.9 | A2 Y5 S9 M12 P31 V50 S55 A57 | A2-F7 HydrophobicContact CB-CB 4.17Å; A2-F7 HydrophobicContact CB-CD2 3.35Å; A2-F7 HydrophobicContact CB-CE2 3.99Å; A2-F7 HydrophobicContact CB-CG 3.98Å; Y5-F7 HydrophobicContact CE2-CD2 4.36Å; Y5-F7 PolarHBondContact O-N 3.24Å; F7-S9 VanDerWaalsContact C-N 3.26Å; F7-S9 PolarHBondContact O-N 2.97Å; F7-M12 HydrophobicContact CE2-CE 4.15Å; F7-P31 HydrophobicContact CD1-CB 4.03Å; F7-P31 HydrophobicContact CD2-CG 4.38Å; F7-P31 HydrophobicContact CE1-CB 3.73Å; F7-P31 HydrophobicContact CE1-CG 4.17Å; F7-P31 HydrophobicContact CE2-CB 4.34Å; F7-P31 HydrophobicContact CE2-CG 3.91Å; F7-P31 HydrophobicContact CG-CB 4.49Å; F7-P31 HydrophobicContact CZ-CB 3.89Å; F7-P31 HydrophobicContact CZ-CG 3.8Å; F7-V50 HydrophobicContact CE1-CG2 3.4Å; F7-V50 VanDerWaalsContact CE1-CG2 3.4Å; F7-V50 HydrophobicContact CZ-CG2 3.7Å; F7-S55 VanDerWaalsContact CD1-CA 3.45Å; F7-A57 HydrophobicContact CE2-CB 4.48Å; F7-A57 HydrophobicContact CZ-CB 4.04Å |
| 8 | T | 94.8 | Very high | 93.9 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -76.1 | -6.2 | 179.2 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | T6 S32 | T6-T8 PolarHBondContact O-N 3.24Å; T6-T8 VanDerWaalsContact O-N 3.11Å; T8-S32 WeakPolarHBondContact O-CB 3.39Å |
| 9 | S | 91.8 | Very high | 93.8 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -87.9 | -5.9 | -178.1 | -60 | 0 | 0 | 0 | 0 | 114.4 | T6 F7 | T6-S9 WeakPolarHBondContact CB-OG 3.28Å; T6-S9 VanDerWaalsContact CG2-OG 3.31Å; T6-S9 WeakPolarHBondContact CG2-OG 3.33Å; T6-S9 WeakPolarHBondContact O-CB 3.48Å; T6-S9 PolarHBondContact O-N 2.97Å; F7-S9 VanDerWaalsContact C-N 3.26Å; F7-S9 PolarHBondContact O-N 2.97Å |
| 10 | Y | 90.8 | Very high | 93.7 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 13% | 0.129 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -136.1 | 144.8 | -171.8 | -59.9 | -81.1 | 0 | 0 | 0 | 111.9 | Y5 P31 R76 E77 L79 | Y5-Y10 AromaticContact CD2-CD2 3.42Å; Y5-Y10 HydrophobicContact CD2-CD2 3.42Å; Y5-Y10 VanDerWaalsContact CD2-CD2 3.42Å; Y5-Y10 AromaticContact CD2-CE2 3.64Å; Y5-Y10 HydrophobicContact CD2-CE2 3.64Å; Y5-Y10 AromaticContact CE2-CD2 3.71Å; Y5-Y10 HydrophobicContact CE2-CD2 3.71Å; Y5-Y10 HydrophobicContact CE2-CE2 4.37Å; Y5-Y10 HydrophobicContact CE2-CG 4.49Å; Y5-Y10 HydrophobicContact CG-CD2 4.43Å; Y5-Y10 HydrophobicContact CG-CE2 4.29Å; Y10-P31 WeakPolarHBondContact O-CD 3.47Å; Y10-P31 WeakPolarHBondContact O-CG 2.85Å; Y10-R76 HydrophobicContact CD1-CG 4.41Å; Y10-R76 HydrophobicContact CG-CG 3.94Å; Y10-E77 WeakPolarHBondContact CD1-O 3.31Å; Y10-L79 HydrophobicContact CE1-CD2 3.55Å; Y10-L79 HydrophobicContact CE1-CG 3.66Å; Y10-L79 WeakPolarHBondContact OH-CD1 3.29Å; Y10-L79 WeakPolarHBondContact OH-CD2 3.31Å; Y10-L79 WeakPolarHBondContact OH-CG 3.48Å |
| 11 | W | 94.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | trans | -71 | 146.9 | 167.2 | -68 | 65.4 | 0 | 0 | 0 | 110.8 | E28 N30 R35 N37 E77 | W11-E28 HydrophobicContact CE3-CB 4.05Å; W11-E28 HydrophobicContact CE3-CG 3.48Å; W11-E28 VanDerWaalsContact CE3-CG 3.48Å; W11-E28 HydrophobicContact CZ3-CG 3.7Å; W11-E28 WeakPolarHBondContact CZ3-OE1 3.49Å; W11-N30 HydrophobicContact CD2-CB 3.73Å; W11-N30 HydrophobicContact CE3-CB 3.89Å; W11-N30 HydrophobicContact CG-CB 4.35Å; W11-N30 HydrophobicContact CH2-CB 4.06Å; W11-N30 HydrophobicContact CZ2-CB 3.86Å; W11-N30 HydrophobicContact CZ3-CB 4.05Å; W11-N30 PolarHBondContact NE1-ND2 2.79Å; W11-R35 HydrophobicContact CH2-CB 4.27Å; W11-R35 HydrophobicContact CH2-CG 3.94Å; W11-N37 WeakPolarHBondContact CZ3-ND2 3.4Å; W11-E77 HydrophobicContact CB-CB 4.14Å; W11-E77 WeakPolarHBondContact CB-OE2 3.44Å; W11-E77 PolarHBondContact N-OE2 3.15Å; W11-E77 VanDerWaalsContact N-OE2 3.14Å; W11-E77 PolarHBondContact O-N 2.95Å | ||
| 12 | M | 96.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.8 | 174.7 | -168.8 | 59.5 | 52.2 | 0 | 0 | 108.8 | Y5 F7 E28 I29 A57 C74 R76 | Y5-M12 WeakPolarHBondContact OH-CE 3.48Å; F7-M12 HydrophobicContact CE2-CE 4.15Å; M12-E28 CarbonylContact O-C 3.45Å; M12-E28 WeakPolarHBondContact O-CA 3.37Å; M12-I29 HydrophobicContact CB-CG2 4.18Å; M12-I29 PolarHBondContact N-O 3.49Å; M12-I29 PolarHBondContact O-N 2.81Å; M12-A57 HydrophobicContact CB-CB 4.07Å; M12-A57 HydrophobicContact CG-CB 3.72Å; M12-C74 HydrophobicContact SD-CB 4.15Å; M12-R76 HydrophobicContact CE-CB 4.14Å; M12-R76 HydrophobicContact CE-CG 4.24Å |
| 13 | H | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 153.5 | -178.9 | -51 | -97.3 | 0 | 0 | 0 | 110.6 | W25 G27 E28 C74 A75 M88 | H13-W25 AromaticContact ND1-NE1 3.59Å; H13-G27 CarbonylContact C-O 3.53Å; H13-G27 WeakPolarHBondContact CA-O 3.47Å; H13-E28 HydrophobicContact CB-CB 4.47Å; H13-E28 IonicContact CE1-OE2 2.82Å; H13-E28 PolarHBondContact CE1-OE2 3.11Å; H13-E28 WeakPolarHBondContact ND1-CB 3.22Å; H13-E28 IonicContact ND1-OE2 3.04Å; H13-E28 PolarHBondContact ND1-OE2 3.1Å; H13-C74 CarbonylContact O-C 3.47Å; H13-C74 VanDerWaalsContact O-CA 3.28Å; H13-C74 WeakPolarHBondContact O-CA 3.45Å; H13-A75 PolarHBondContact CD2-O 2.82Å; H13-A75 PolarHBondContact N-O 2.86Å; H13-A75 PolarHBondContact O-N 3.11Å; H13-M88 HydrophobicContact CB-CE 3.83Å; H13-M88 HydrophobicContact CB-CG 4.49Å; H13-M88 HydrophobicContact CB-SD 4.02Å |
| 14 | W | 97.9 | Very high | 94.3 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.6 | 172.9 | -67.7 | 90.7 | 0 | 0 | 0 | 110.1 | I26 G27 L48 M59 Y73 C74 | W14-I26 HydrophobicContact CB-CB 4.12Å; W14-I26 HydrophobicContact CB-CD1 4.27Å; W14-I26 WeakPolarHBondContact O-CB 3.38Å; W14-I26 PolarHBondContact O-N 2.93Å; W14-G27 PolarHBondContact N-O 3.22Å; W14-L48 HydrophobicContact CG-CD2 4.01Å; W14-M59 HydrophobicContact CB-SD 3.75Å; W14-M59 HydrophobicContact CD2-CB 3.56Å; W14-M59 HydrophobicContact CD2-CE 4.12Å; W14-M59 HydrophobicContact CD2-CG 4.36Å; W14-M59 HydrophobicContact CD2-SD 3.94Å; W14-M59 HydrophobicContact CE3-CB 3.85Å; W14-M59 HydrophobicContact CE3-CE 3.55Å; W14-M59 HydrophobicContact CE3-SD 4.01Å; W14-M59 HydrophobicContact CG-CB 4.07Å; W14-M59 HydrophobicContact CG-SD 3.85Å; W14-M59 HydrophobicContact CH2-CB 4.01Å; W14-M59 HydrophobicContact CZ2-CB 3.77Å; W14-M59 HydrophobicContact CZ3-CB 4.05Å; W14-M59 HydrophobicContact CZ3-CE 4.08Å; W14-Y73 WeakPolarHBondContact CA-O 3.24Å; W14-C74 HydrophobicContact CD2-CB 4.34Å; W14-C74 HydrophobicContact CE3-CB 4.09Å; W14-C74 HydrophobicContact CH2-CB 4.14Å; W14-C74 HydrophobicContact CZ2-CB 4.35Å; W14-C74 HydrophobicContact CZ3-CB 4Å |
| 15 | V | 97.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 138.5 | -173.2 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | L23 E24 Y72 Y73 M88 W91 | V15-L23 HydrophobicContact CG1-CB 3.76Å; V15-L23 HydrophobicContact CG1-CD2 3.86Å; V15-L23 HydrophobicContact CG1-CG 4.3Å; V15-E24 CarbonylContact C-O 3.59Å; V15-E24 WeakPolarHBondContact CA-O 3.39Å; V15-E24 WeakPolarHBondContact CG1-O 3.47Å; V15-Y72 CarbonylContact O-C 3.58Å; V15-Y72 WeakPolarHBondContact O-CA 3.43Å; V15-Y73 PolarHBondContact N-O 3.17Å; V15-Y73 PolarHBondContact O-N 2.97Å; V15-M88 HydrophobicContact CG2-CE 4.28Å; V15-M88 HydrophobicContact CG2-SD 3.91Å; V15-W91 HydrophobicContact CB-CH2 4.01Å; V15-W91 HydrophobicContact CB-CZ3 3.76Å; V15-W91 HydrophobicContact CG1-CH2 3.97Å; V15-W91 HydrophobicContact CG1-CZ3 3.93Å; V15-W91 HydrophobicContact CG2-CH2 3.69Å; V15-W91 HydrophobicContact CG2-CZ3 3.86Å |
| 16 | K | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142 | 175.9 | -177.4 | -177.4 | 175.9 | -171.3 | 0 | 109.9 | E24 I26 F42 E67 D68 A70 Y72 | K16-E24 HydrophobicContact CB-CB 4.43Å; K16-E24 PolarHBondContact N-O 3.11Å; K16-E24 PolarHBondContact O-N 3.19Å; K16-I26 HydrophobicContact CB-CD1 4.04Å; K16-I26 HydrophobicContact CB-CG1 4.21Å; K16-F42 HydrophobicContact CD-CE1 3.95Å; K16-F42 HydrophobicContact CD-CZ 4.23Å; K16-E67 PolarHBondContact NZ-O 2.89Å; K16-E67 VanDerWaalsContact NZ-O 3.1Å; K16-D68 IonicContact NZ-OD1 3.56Å; K16-D68 PolarHBondContact NZ-OD1 2.82Å; K16-A70 HydrophobicContact CD-CB 4.02Å; K16-A70 VanDerWaalsContact CE-CB 3.48Å; K16-A70 HydrophobicContact CG-CB 3.38Å; K16-Y72 HydrophobicContact CB-CD1 4.13Å; K16-Y72 HydrophobicContact CB-CE1 3.94Å; K16-Y72 HydrophobicContact CD-CE1 3.91Å; K16-Y72 WeakPolarHBondContact CE-OH 3.46Å; K16-Y72 HydrophobicContact CG-CD1 4.26Å; K16-Y72 HydrophobicContact CG-CE1 3.77Å; K16-Y72 HydrophobicContact CG-CE2 4.43Å |
| 17 | Q | 97.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 116 | 170.8 | -166.5 | -178.3 | 24.5 | 0 | 0 | 110.4 | L23 A70 V71 Y73 | Q17-L23 HydrophobicContact CB-CD2 3.92Å; Q17-L23 HydrophobicContact CG-CD2 4.04Å; Q17-A70 WeakPolarHBondContact O-CA 3.32Å; Q17-A70 VanDerWaalsContact O-CB 3.24Å; Q17-A70 WeakPolarHBondContact O-CB 3.46Å; Q17-V71 PolarHBondContact N-O 3.22Å; Q17-V71 PolarHBondContact O-N 2.63Å; Q17-Y73 HydrophobicContact CB-CD2 4.48Å; Q17-Y73 HydrophobicContact CB-CE2 3.75Å; Q17-Y73 PolarHBondContact OE1-OH 2.92Å |
| 18 | R | 95.5 | Very high | 95.2 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | trans | -82.3 | 151.7 | 170.2 | -63.3 | -167 | -174.6 | 101.6 | -3.8 | 110.5 | G20 Q21 E24 E67 A70 | R18-G20 PolarHBondContact O-N 2.8Å; R18-Q21 HydrophobicContact CB-CB 4Å; R18-Q21 HydrophobicContact CB-CG 4Å; R18-Q21 VanDerWaalsContact NH1-OE1 3.11Å; R18-Q21 PolarHBondContact O-N 2.86Å; R18-E24 IonicContact CZ-OE1 2.85Å; R18-E24 IonicContact NH1-OE1 2.88Å; R18-E24 PolarHBondContact NH1-OE1 3.49Å; R18-E67 PolarHBondContact NE-O 2.83Å; R18-E67 PolarHBondContact NH2-O 3Å; R18-E67 VanDerWaalsContact NH2-O 3.11Å; R18-A70 HydrophobicContact CG-CB 4.26Å | ||
| 19 | P | 92.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 44 Ų | 44 | 77% | 0.773 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 126.2 | 172.5 | -25.5 | 34.8 | 0 | 0 | 0 | 111.5 | Q21 | P19-Q21 PolarHBondContact O-N 2.9Š|
| 20 | G | 92.6 | Very high | 95.6 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 96% | 0.959 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 4.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R18 | R18-G20 PolarHBondContact O-N 2.8Š|
| 21 | Q | 93.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -111.8 | 163.3 | 176 | -57.8 | -170.1 | -5.4 | 0 | 0 | 111.9 | R18 P19 | R18-Q21 HydrophobicContact CB-CB 4Å; R18-Q21 HydrophobicContact CB-CG 4Å; R18-Q21 VanDerWaalsContact NH1-OE1 3.11Å; R18-Q21 PolarHBondContact O-N 2.86Å; P19-Q21 PolarHBondContact O-N 2.9Å |
| 22 | G | 93.3 | Very high | 96 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | trans | -68.8 | 176 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 23 | L | 95.2 | Very high | 96 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.8 | 174.1 | -65.4 | 172.6 | 0 | 0 | 0 | 110.4 | V15 Q17 W91 | V15-L23 HydrophobicContact CG1-CB 3.76Å; V15-L23 HydrophobicContact CG1-CD2 3.86Å; V15-L23 HydrophobicContact CG1-CG 4.3Å; Q17-L23 HydrophobicContact CB-CD2 3.92Å; Q17-L23 HydrophobicContact CG-CD2 4.04Å; L23-W91 HydrophobicContact CD1-CH2 3.84Å; L23-W91 HydrophobicContact CD1-CZ2 4.4Å; L23-W91 HydrophobicContact CD1-CZ3 4.35Å; L23-W91 HydrophobicContact CD2-CZ3 4.47Å |
| 24 | E | 96.1 | Very high | 96 | Very high | 35 Ų | 35 | 46 Ų | 46 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.6 | 174.4 | -65.1 | -170.3 | -99.1 | 0 | 0 | 109.7 | V15 K16 R18 I26 F42 | V15-E24 CarbonylContact C-O 3.59Å; V15-E24 WeakPolarHBondContact CA-O 3.39Å; V15-E24 WeakPolarHBondContact CG1-O 3.47Å; K16-E24 HydrophobicContact CB-CB 4.43Å; K16-E24 PolarHBondContact N-O 3.11Å; K16-E24 PolarHBondContact O-N 3.19Å; R18-E24 IonicContact CZ-OE1 2.85Å; R18-E24 IonicContact NH1-OE1 2.88Å; R18-E24 PolarHBondContact NH1-OE1 3.49Å; E24-I26 PolarHBondContact O-N 3.04Å; E24-F42 HydrophobicContact CB-CE2 4.32Å; E24-F42 HydrophobicContact CB-CZ 4.16Å |
| 25 | W | 96.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127.6 | 175.5 | -178.4 | 73.2 | 0 | 0 | 0 | 111 | H13 G27 E28 N37 N39 M88 | H13-W25 AromaticContact ND1-NE1 3.59Å; W25-G27 VanDerWaalsContact CZ2-C 3.42Å; W25-G27 VanDerWaalsContact CZ2-CA 3.4Å; W25-G27 PolarHBondContact NE1-O 3.03Å; W25-E28 HydrophobicContact CH2-CG 4.45Å; W25-E28 HydrophobicContact CZ2-CB 3.97Å; W25-E28 HydrophobicContact CZ2-CG 3.73Å; W25-N37 HydrophobicContact CH2-CB 4.22Å; W25-N39 HydrophobicContact CE3-CB 3.81Å; W25-N39 HydrophobicContact CZ3-CB 4.02Å; W25-N39 WeakPolarHBondContact O-CB 3.41Å; W25-N39 PolarHBondContact O-ND2 3.22Å; W25-M88 VanDerWaalsContact CD1-CE 3.5Å; W25-M88 HydrophobicContact CG-CE 4.46Å |
| 26 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -49.2 | -178.2 | -61.9 | 174.9 | 0 | 0 | 0 | 110.2 | W14 K16 E24 N39 F42 A46 M59 Y72 | W14-I26 HydrophobicContact CB-CB 4.12Å; W14-I26 HydrophobicContact CB-CD1 4.27Å; W14-I26 WeakPolarHBondContact O-CB 3.38Å; W14-I26 PolarHBondContact O-N 2.93Å; K16-I26 HydrophobicContact CB-CD1 4.04Å; K16-I26 HydrophobicContact CB-CG1 4.21Å; E24-I26 PolarHBondContact O-N 3.04Å; I26-N39 PolarHBondContact O-N 3.04Å; I26-F42 HydrophobicContact CB-CB 4.48Å; I26-F42 HydrophobicContact CB-CD2 4.39Å; I26-F42 HydrophobicContact CB-CG 4.29Å; I26-F42 HydrophobicContact CG1-CD1 4.18Å; I26-F42 HydrophobicContact CG1-CD2 4.29Å; I26-F42 HydrophobicContact CG1-CE1 4.27Å; I26-F42 HydrophobicContact CG1-CE2 4.37Å; I26-F42 HydrophobicContact CG1-CG 4.18Å; I26-F42 HydrophobicContact CG1-CZ 4.36Å; I26-F42 HydrophobicContact CG2-CB 3.75Å; I26-F42 HydrophobicContact CG2-CD1 4.41Å; I26-F42 HydrophobicContact CG2-CG 4.01Å; I26-A46 HydrophobicContact CG2-CB 3.76Å; I26-M59 HydrophobicContact CD1-CE 3.98Å; I26-M59 HydrophobicContact CD1-SD 3.63Å; I26-M59 HydrophobicContact CG2-SD 3.99Å; I26-Y72 HydrophobicContact CD1-CD1 3.69Å; I26-Y72 HydrophobicContact CD1-CE1 3.8Å |
| 27 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | -179.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112 | H13 W14 W25 N37 | H13-G27 CarbonylContact C-O 3.53Å; H13-G27 WeakPolarHBondContact CA-O 3.47Å; W14-G27 PolarHBondContact N-O 3.22Å; W25-G27 VanDerWaalsContact CZ2-C 3.42Å; W25-G27 VanDerWaalsContact CZ2-CA 3.4Å; W25-G27 PolarHBondContact NE1-O 3.03Å; G27-N37 CarbonylContact C-O 3.57Å; G27-N37 WeakPolarHBondContact CA-O 3.47Å |
| 28 | E | 97 | Very high | 95.9 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155 | 179.2 | 64.1 | -170.4 | -160.9 | 0 | 0 | 111.2 | W11 M12 H13 W25 T36 N37 | W11-E28 HydrophobicContact CE3-CB 4.05Å; W11-E28 HydrophobicContact CE3-CG 3.48Å; W11-E28 VanDerWaalsContact CE3-CG 3.48Å; W11-E28 HydrophobicContact CZ3-CG 3.7Å; W11-E28 WeakPolarHBondContact CZ3-OE1 3.49Å; M12-E28 CarbonylContact O-C 3.45Å; M12-E28 WeakPolarHBondContact O-CA 3.37Å; H13-E28 HydrophobicContact CB-CB 4.47Å; H13-E28 IonicContact CE1-OE2 2.82Å; H13-E28 PolarHBondContact CE1-OE2 3.11Å; H13-E28 WeakPolarHBondContact ND1-CB 3.22Å; H13-E28 IonicContact ND1-OE2 3.04Å; H13-E28 PolarHBondContact ND1-OE2 3.1Å; W25-E28 HydrophobicContact CH2-CG 4.45Å; W25-E28 HydrophobicContact CZ2-CB 3.97Å; W25-E28 HydrophobicContact CZ2-CG 3.73Å; E28-T36 VanDerWaalsContact O-CA 3.24Å; E28-T36 WeakPolarHBondContact O-CA 3.28Å; E28-N37 HydrophobicContact CG-CB 3.91Å; E28-N37 PolarHBondContact N-O 3.43Å; E28-N37 PolarHBondContact O-N 3.24Å; E28-N37 PolarHBondContact OE1-ND2 2.96Å |
| 29 | I | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.1 | 173.6 | -173.5 | 165.3 | 0 | 0 | 0 | 109.8 | M12 P31 R35 T36 L48 V50 A57 | M12-I29 HydrophobicContact CB-CG2 4.18Å; M12-I29 PolarHBondContact N-O 3.49Å; M12-I29 PolarHBondContact O-N 2.81Å; I29-P31 VanDerWaalsContact O-CD 3.26Å; I29-P31 WeakPolarHBondContact O-CD 3.2Å; I29-R35 CarbonylContact C-O 3.52Å; I29-R35 WeakPolarHBondContact CA-O 3.17Å; I29-T36 HydrophobicContact CB-CG2 3.93Å; I29-T36 HydrophobicContact CD1-CG2 3.86Å; I29-T36 HydrophobicContact CG1-CG2 3.75Å; I29-L48 HydrophobicContact CB-CB 4.09Å; I29-L48 HydrophobicContact CB-CD1 4.4Å; I29-L48 HydrophobicContact CD1-CB 4.31Å; I29-L48 HydrophobicContact CG2-CB 4.39Å; I29-V50 HydrophobicContact CD1-CB 4.08Å; I29-V50 HydrophobicContact CD1-CG1 4.06Å; I29-A57 HydrophobicContact CG2-CB 4.27Å |
| 30 | N | 96.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | trans | -85.7 | 110.2 | 169.1 | -174.3 | -29.3 | 0 | 0 | 0 | 109.5 | W11 S32 N33 G34 R35 | W11-N30 HydrophobicContact CD2-CB 3.73Å; W11-N30 HydrophobicContact CE3-CB 3.89Å; W11-N30 HydrophobicContact CG-CB 4.35Å; W11-N30 HydrophobicContact CH2-CB 4.06Å; W11-N30 HydrophobicContact CZ2-CB 3.86Å; W11-N30 HydrophobicContact CZ3-CB 4.05Å; W11-N30 PolarHBondContact NE1-ND2 2.79Å; N30-S32 VanDerWaalsContact CG-OG 3.31Å; N30-S32 PolarHBondContact ND2-OG 2.86Å; N30-S32 PolarHBondContact O-N 2.83Å; N30-S32 VanDerWaalsContact O-N 3.15Å; N30-S32 VanDerWaalsContact OD1-CB 3.29Å; N30-S32 WeakPolarHBondContact OD1-CB 3.28Å; N30-S32 PolarHBondContact OD1-N 2.66Å; N30-S32 PolarHBondContact OD1-OG 2.83Å; N30-N33 WeakPolarHBondContact CB-OD1 3.41Å; N30-N33 PolarHBondContact O-N 2.77Å; N30-G34 VanDerWaalsContact O-CA 3.31Å; N30-G34 WeakPolarHBondContact O-CA 3.41Å; N30-G34 PolarHBondContact O-N 2.92Å; N30-R35 HydrophobicContact CB-CB 4.31Å; N30-R35 PolarHBondContact N-O 3.15Å | ||
| 31 | P | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.1 | -179.1 | -24.1 | 37.9 | 0 | 0 | 0 | 114.1 | F7 Y10 I29 V50 K52 | F7-P31 HydrophobicContact CD1-CB 4.03Å; F7-P31 HydrophobicContact CD2-CG 4.38Å; F7-P31 HydrophobicContact CE1-CB 3.73Å; F7-P31 HydrophobicContact CE1-CG 4.17Å; F7-P31 HydrophobicContact CE2-CB 4.34Å; F7-P31 HydrophobicContact CE2-CG 3.91Å; F7-P31 HydrophobicContact CG-CB 4.49Å; F7-P31 HydrophobicContact CZ-CB 3.89Å; F7-P31 HydrophobicContact CZ-CG 3.8Å; Y10-P31 WeakPolarHBondContact O-CD 3.47Å; Y10-P31 WeakPolarHBondContact O-CG 2.85Å; I29-P31 VanDerWaalsContact O-CD 3.26Å; I29-P31 WeakPolarHBondContact O-CD 3.2Å; P31-V50 HydrophobicContact CB-CG2 3.89Å; P31-K52 WeakPolarHBondContact O-CE 3.34Å |
| 32 | S | 96.3 | Very high | 96.2 | Very high | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -42.9 | 179.3 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | T8 N30 K52 | T8-S32 WeakPolarHBondContact O-CB 3.39Å; N30-S32 VanDerWaalsContact CG-OG 3.31Å; N30-S32 PolarHBondContact ND2-OG 2.86Å; N30-S32 PolarHBondContact O-N 2.83Å; N30-S32 VanDerWaalsContact O-N 3.15Å; N30-S32 VanDerWaalsContact OD1-CB 3.29Å; N30-S32 WeakPolarHBondContact OD1-CB 3.28Å; N30-S32 PolarHBondContact OD1-N 2.66Å; N30-S32 PolarHBondContact OD1-OG 2.83Å; S32-K52 PolarHBondContact O-NZ 2.77Å |
| 33 | N | 96.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | 0.2 | -171.1 | 63 | 17.9 | 0 | 0 | 0 | 114.1 | N30 R35 | N30-N33 WeakPolarHBondContact CB-OD1 3.41Å; N30-N33 PolarHBondContact O-N 2.77Å; N33-R35 PolarHBondContact O-N 2.93Å; N33-R35 VanDerWaalsContact OD1-CB 3.23Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 2.88Å |
| 34 | G | 96.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | trans | 73.6 | 7.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N30 T36 | N30-G34 VanDerWaalsContact O-CA 3.31Å; N30-G34 WeakPolarHBondContact O-CA 3.41Å; N30-G34 PolarHBondContact O-N 2.92Å; G34-T36 PolarHBondContact O-N 3.47Å | ||
| 35 | R | 97.3 | Very high | 96.2 | Very high | 152 Ų | 152 | 57.5 Ų | 57.5 | 57% | 0.574 | 29% | 0.289 | S | S | * | . | trans | -61.3 | 132.5 | 176.2 | -179 | 175.1 | 174 | 178.2 | 0.4 | 109.7 | W11 I29 N30 N33 | W11-R35 HydrophobicContact CH2-CB 4.27Å; W11-R35 HydrophobicContact CH2-CG 3.94Å; I29-R35 CarbonylContact C-O 3.52Å; I29-R35 WeakPolarHBondContact CA-O 3.17Å; N30-R35 HydrophobicContact CB-CB 4.31Å; N30-R35 PolarHBondContact N-O 3.15Å; N33-R35 PolarHBondContact O-N 2.93Å; N33-R35 VanDerWaalsContact OD1-CB 3.23Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 2.88Å | ||
| 36 | T | 97.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145.6 | 178 | 49.7 | 0 | 0 | 0 | 0 | 111 | E28 I29 G34 Y38 L48 | E28-T36 VanDerWaalsContact O-CA 3.24Å; E28-T36 WeakPolarHBondContact O-CA 3.28Å; I29-T36 HydrophobicContact CB-CG2 3.93Å; I29-T36 HydrophobicContact CD1-CG2 3.86Å; I29-T36 HydrophobicContact CG1-CG2 3.75Å; G34-T36 PolarHBondContact O-N 3.47Å; T36-Y38 HydrophobicContact CG2-CE2 4.41Å; T36-Y38 WeakPolarHBondContact OG1-CE2 2.83Å; T36-L48 HydrophobicContact CG2-CB 3.99Å |
| 37 | N | 96.6 | Very high | 96.3 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.4 | 165.1 | -58.1 | -50.2 | 0 | 0 | 0 | 107.9 | W11 W25 G27 E28 | W11-N37 WeakPolarHBondContact CZ3-ND2 3.4Å; W25-N37 HydrophobicContact CH2-CB 4.22Å; G27-N37 CarbonylContact C-O 3.57Å; G27-N37 WeakPolarHBondContact CA-O 3.47Å; E28-N37 HydrophobicContact CG-CB 3.91Å; E28-N37 PolarHBondContact N-O 3.43Å; E28-N37 PolarHBondContact O-N 3.24Å; E28-N37 PolarHBondContact OE1-ND2 2.96Å |
| 38 | Y | 97.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152 | -177.2 | -66.7 | -89 | 0 | 0 | 0 | 110.5 | T36 K43 A46 L48 | T36-Y38 HydrophobicContact CG2-CE2 4.41Å; T36-Y38 WeakPolarHBondContact OG1-CE2 2.83Å; Y38-K43 HydrophobicContact CD2-CG 4.45Å; Y38-K43 HydrophobicContact CG-CG 4.33Å; Y38-A46 HydrophobicContact CE1-CB 4.37Å; Y38-A46 VanDerWaalsContact CE1-O 3.22Å; Y38-A46 WeakPolarHBondContact CE1-O 3.19Å; Y38-L48 HydrophobicContact CE1-CD1 4.04Å; Y38-L48 HydrophobicContact CE1-CG 3.7Å; Y38-L48 PolarHBondContact OH-N 2.86Å |
| 39 | N | 96.1 | Very high | 96.4 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | trans | -74.9 | 131.2 | 156.1 | -179.4 | -21.9 | 0 | 0 | 0 | 108.5 | W25 I26 K41 F42 K43 | W25-N39 HydrophobicContact CE3-CB 3.81Å; W25-N39 HydrophobicContact CZ3-CB 4.02Å; W25-N39 WeakPolarHBondContact O-CB 3.41Å; W25-N39 PolarHBondContact O-ND2 3.22Å; I26-N39 PolarHBondContact O-N 3.04Å; N39-K41 PolarHBondContact O-N 3.38Å; N39-K41 PolarHBondContact OD1-N 3.09Å; N39-K41 VanDerWaalsContact OD1-N 3.15Å; N39-F42 HydrophobicContact CB-CD2 4Å; N39-F42 PolarHBondContact O-N 2.7Å; N39-K43 PolarHBondContact O-N 3.03Å | ||
| 40 | E | 95.7 | Very high | 96.4 | Very high | 132 Ų | 132 | 61.5 Ų | 61.5 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.1 | -176.4 | -68.8 | -60.8 | 147.3 | 0 | 0 | 112.8 | F42 K43 | E40-F42 PolarHBondContact O-N 3.15Å; E40-K43 IonicContact OE1-NZ 3.38Å; E40-K43 PolarHBondContact OE1-NZ 3.05Å; E40-K43 VanDerWaalsContact OE2-CD 3.23Å; E40-K43 WeakPolarHBondContact OE2-CD 3.38Å; E40-K43 IonicContact OE2-NZ 2.7Å; E40-K43 PolarHBondContact OE2-NZ 3.19Å |
| 41 | K | 93.1 | Very high | 96.4 | Very high | 147 Ų | 147 | 63.1 Ų | 63.1 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.2 | 174.7 | -68.1 | -175 | -179.6 | -178.5 | 0 | 114.2 | N39 | N39-K41 PolarHBondContact O-N 3.38Å; N39-K41 PolarHBondContact OD1-N 3.09Å; N39-K41 VanDerWaalsContact OD1-N 3.15Å |
| 42 | F | 95 | Very high | 96.4 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -8.5 | -172.7 | -61.4 | -82.4 | 0 | 0 | 0 | 113.5 | K16 E24 I26 N39 E40 S44 K45 A46 | K16-F42 HydrophobicContact CD-CE1 3.95Å; K16-F42 HydrophobicContact CD-CZ 4.23Å; E24-F42 HydrophobicContact CB-CE2 4.32Å; E24-F42 HydrophobicContact CB-CZ 4.16Å; I26-F42 HydrophobicContact CB-CB 4.48Å; I26-F42 HydrophobicContact CB-CD2 4.39Å; I26-F42 HydrophobicContact CB-CG 4.29Å; I26-F42 HydrophobicContact CG1-CD1 4.18Å; I26-F42 HydrophobicContact CG1-CD2 4.29Å; I26-F42 HydrophobicContact CG1-CE1 4.27Å; I26-F42 HydrophobicContact CG1-CE2 4.37Å; I26-F42 HydrophobicContact CG1-CG 4.18Å; I26-F42 HydrophobicContact CG1-CZ 4.36Å; I26-F42 HydrophobicContact CG2-CB 3.75Å; I26-F42 HydrophobicContact CG2-CD1 4.41Å; I26-F42 HydrophobicContact CG2-CG 4.01Å; N39-F42 HydrophobicContact CB-CD2 4Å; N39-F42 PolarHBondContact O-N 2.7Å; E40-F42 PolarHBondContact O-N 3.15Å; F42-S44 PolarHBondContact O-N 2.9Å; F42-S44 VanDerWaalsContact O-N 3.12Å; F42-K45 PolarHBondContact O-N 2.9Å; F42-A46 HydrophobicContact CB-CB 4.5Å; F42-A46 PolarHBondContact O-N 2.83Å |
| 43 | K | 93.8 | Very high | 96.3 | Very high | 111 Ų | 111 | 71.4 Ų | 71.4 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.2 | -174.8 | -166.5 | 177.5 | -172 | 174.1 | 0 | 114.1 | Y38 N39 E40 | Y38-K43 HydrophobicContact CD2-CG 4.45Å; Y38-K43 HydrophobicContact CG-CG 4.33Å; N39-K43 PolarHBondContact O-N 3.03Å; E40-K43 IonicContact OE1-NZ 3.38Å; E40-K43 PolarHBondContact OE1-NZ 3.05Å; E40-K43 VanDerWaalsContact OE2-CD 3.23Å; E40-K43 WeakPolarHBondContact OE2-CD 3.38Å; E40-K43 IonicContact OE2-NZ 2.7Å; E40-K43 PolarHBondContact OE2-NZ 3.19Å |
| 44 | S | 94.5 | Very high | 96.3 | Very high | 99 Ų | 99 | 68 Ų | 68 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13.3 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | F42 | F42-S44 PolarHBondContact O-N 2.9Å; F42-S44 VanDerWaalsContact O-N 3.12Å |
| 45 | K | 95.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -24.1 | -174.7 | -66.3 | -172.3 | 175 | -171.9 | 0 | 113.7 | F42 L61 S62 D68 | F42-K45 PolarHBondContact O-N 2.9Å; K45-L61 CarbonylContact O-C 3.46Å; K45-L61 VanDerWaalsContact O-CA 3.3Å; K45-L61 WeakPolarHBondContact O-CA 3.3Å; K45-S62 PolarHBondContact O-N 3.24Å; K45-S62 PolarHBondContact O-OG 3.1Å; K45-D68 IonicContact NZ-OD1 2.84Å; K45-D68 PolarHBondContact NZ-OD1 2.84Å; K45-D68 IonicContact NZ-OD2 3.35Å; K45-D68 PolarHBondContact NZ-OD2 2.87Å |
| 46 | A | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I26 Y38 F42 M59 Q60 L61 | I26-A46 HydrophobicContact CG2-CB 3.76Å; Y38-A46 HydrophobicContact CE1-CB 4.37Å; Y38-A46 VanDerWaalsContact CE1-O 3.22Å; Y38-A46 WeakPolarHBondContact CE1-O 3.19Å; F42-A46 HydrophobicContact CB-CB 4.5Å; F42-A46 PolarHBondContact O-N 2.83Å; A46-M59 HydrophobicContact CB-CG 4.43Å; A46-M59 HydrophobicContact CB-SD 4.5Å; A46-Q60 WeakPolarHBondContact CA-O 3.41Å; A46-L61 HydrophobicContact CB-CD2 4.05Å |
| 47 | T | 98.2 | Very high | 96.3 | Very high | 68 Ų | 68 | 60 Ų | 60 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.6 | 169.4 | -59.9 | 0 | 0 | 0 | 0 | 108.8 | T49 M59 Q60 | T47-T49 HydrophobicContact CG2-CG2 4.19Å; T47-M59 WeakPolarHBondContact O-CA 3.21Å; T47-Q60 PolarHBondContact N-O 3.35Å; T47-Q60 PolarHBondContact O-N 2.8Å |
| 48 | L | 98.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.2 | 177.9 | -52.7 | -175.7 | 0 | 0 | 0 | 110.6 | W14 I29 T36 Y38 Y58 M59 | W14-L48 HydrophobicContact CG-CD2 4.01Å; I29-L48 HydrophobicContact CB-CB 4.09Å; I29-L48 HydrophobicContact CB-CD1 4.4Å; I29-L48 HydrophobicContact CD1-CB 4.31Å; I29-L48 HydrophobicContact CG2-CB 4.39Å; T36-L48 HydrophobicContact CG2-CB 3.99Å; Y38-L48 HydrophobicContact CE1-CD1 4.04Å; Y38-L48 HydrophobicContact CE1-CG 3.7Å; Y38-L48 PolarHBondContact OH-N 2.86Å; L48-Y58 WeakPolarHBondContact CA-O 3.14Å; L48-M59 HydrophobicContact CD2-CB 3.66Å; L48-M59 HydrophobicContact CD2-CG 3.66Å; L48-M59 HydrophobicContact CD2-SD 4.22Å |
| 49 | T | 98.2 | Very high | 96.4 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 167 | 177.6 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | T47 A57 Y58 | T47-T49 HydrophobicContact CG2-CG2 4.19Å; T49-A57 WeakPolarHBondContact O-CA 3.47Å; T49-Y58 PolarHBondContact N-O 3.12Å; T49-Y58 PolarHBondContact O-N 2.9Å |
| 50 | V | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135.3 | -178.9 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | F7 I29 P31 | F7-V50 HydrophobicContact CE1-CG2 3.4Å; F7-V50 VanDerWaalsContact CE1-CG2 3.4Å; F7-V50 HydrophobicContact CZ-CG2 3.7Å; I29-V50 HydrophobicContact CD1-CB 4.08Å; I29-V50 HydrophobicContact CD1-CG1 4.06Å; P31-V50 HydrophobicContact CB-CG2 3.89Å |
| 51 | D | 97.1 | Very high | 96.6 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 109 | 165.4 | 175.2 | 10.6 | 0 | 0 | 0 | 109 | S53 S54 S55 T56 Y58 | D51-S53 VanDerWaalsContact C-N 3.33Å; D51-S53 WeakPolarHBondContact OD1-CB 3.39Å; D51-S53 PolarHBondContact OD1-N 2.87Å; D51-S53 PolarHBondContact OD1-OG 3.03Å; D51-S53 PolarHBondContact OD2-OG 3.47Å; D51-S54 PolarHBondContact OD1-N 2.89Å; D51-S54 WeakPolarHBondContact OD2-CB 3.09Å; D51-S54 PolarHBondContact OD2-OG 2.88Å; D51-S55 PolarHBondContact O-N 2.87Å; D51-S55 VanDerWaalsContact O-N 3.15Å; D51-T56 PolarHBondContact N-O 3.21Å; D51-T56 PolarHBondContact O-N 3.44Å; D51-Y58 HydrophobicContact CB-CE2 3.9Å |
| 52 | K | 95.3 | Very high | 96.7 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -31.4 | -179.6 | -57.3 | -177.1 | -169.1 | -172.2 | 0 | 111.9 | P31 S32 S54 S55 | P31-K52 WeakPolarHBondContact O-CE 3.34Å; S32-K52 PolarHBondContact O-NZ 2.77Å; K52-S54 PolarHBondContact O-N 3.14Å; K52-S55 PolarHBondContact O-N 2.84Å |
| 53 | S | 95 | Very high | 96.6 | Very high | 111 Ų | 111 | 61.2 Ų | 61.2 | 78% | 0.776 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -39.1 | -176.3 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | D51 | D51-S53 VanDerWaalsContact C-N 3.33Å; D51-S53 WeakPolarHBondContact OD1-CB 3.39Å; D51-S53 PolarHBondContact OD1-N 2.87Å; D51-S53 PolarHBondContact OD1-OG 3.03Å; D51-S53 PolarHBondContact OD2-OG 3.47Å |
| 54 | S | 96.8 | Very high | 96.6 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -1 | 176.3 | 69.7 | 0 | 0 | 0 | 0 | 114 | K1 D51 K52 T56 | K1-S54 WeakPolarHBondContact CE-O 3.45Å; D51-S54 PolarHBondContact OD1-N 2.89Å; D51-S54 WeakPolarHBondContact OD2-CB 3.09Å; D51-S54 PolarHBondContact OD2-OG 2.88Å; K52-S54 PolarHBondContact O-N 3.14Å; S54-T56 VanDerWaalsContact C-N 3.32Å; S54-T56 PolarHBondContact O-N 2.85Å; S54-T56 PolarHBondContact O-OG1 2.77Å; S54-T56 WeakPolarHBondContact OG-CB 3.23Å; S54-T56 PolarHBondContact OG-OG1 2.88Å |
| 55 | S | 96.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.6 | -172 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | A2 F7 D51 K52 | A2-S55 PolarHBondContact N-O 2.86Å; F7-S55 VanDerWaalsContact CD1-CA 3.45Å; D51-S55 PolarHBondContact O-N 2.87Å; D51-S55 VanDerWaalsContact O-N 3.15Å; K52-S55 PolarHBondContact O-N 2.84Å |
| 56 | T | 97.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.1 | -176.9 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | D51 S54 Y58 | D51-T56 PolarHBondContact N-O 3.21Å; D51-T56 PolarHBondContact O-N 3.44Å; S54-T56 VanDerWaalsContact C-N 3.32Å; S54-T56 PolarHBondContact O-N 2.85Å; S54-T56 PolarHBondContact O-OG1 2.77Å; S54-T56 WeakPolarHBondContact OG-CB 3.23Å; S54-T56 PolarHBondContact OG-OG1 2.88Å; T56-Y58 HydrophobicContact CG2-CD1 4.12Å; T56-Y58 HydrophobicContact CG2-CD2 4.19Å; T56-Y58 HydrophobicContact CG2-CE1 3.57Å; T56-Y58 HydrophobicContact CG2-CE2 3.63Å; T56-Y58 HydrophobicContact CG2-CG 4.41Å |
| 57 | A | 97.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 145.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | F7 M12 I29 T49 | F7-A57 HydrophobicContact CE2-CB 4.48Å; F7-A57 HydrophobicContact CZ-CB 4.04Å; M12-A57 HydrophobicContact CB-CB 4.07Å; M12-A57 HydrophobicContact CG-CB 3.72Å; I29-A57 HydrophobicContact CG2-CB 4.27Å; T49-A57 WeakPolarHBondContact O-CA 3.47Å |
| 58 | Y | 98.1 | Very high | 96.1 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.5 | 179 | -56.6 | -90 | 0 | 0 | 0 | 110.1 | L48 T49 D51 T56 | L48-Y58 WeakPolarHBondContact CA-O 3.14Å; T49-Y58 PolarHBondContact N-O 3.12Å; T49-Y58 PolarHBondContact O-N 2.9Å; D51-Y58 HydrophobicContact CB-CE2 3.9Å; T56-Y58 HydrophobicContact CG2-CD1 4.12Å; T56-Y58 HydrophobicContact CG2-CD2 4.19Å; T56-Y58 HydrophobicContact CG2-CE1 3.57Å; T56-Y58 HydrophobicContact CG2-CE2 3.63Å; T56-Y58 HydrophobicContact CG2-CG 4.41Å |
| 59 | M | 97.9 | Very high | 96 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 16% | 0.163 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.7 | 165.6 | 174.2 | 176 | 70 | 0 | 0 | 107.3 | W14 I26 A46 T47 L48 L61 Y72 | W14-M59 HydrophobicContact CB-SD 3.75Å; W14-M59 HydrophobicContact CD2-CB 3.56Å; W14-M59 HydrophobicContact CD2-CE 4.12Å; W14-M59 HydrophobicContact CD2-CG 4.36Å; W14-M59 HydrophobicContact CD2-SD 3.94Å; W14-M59 HydrophobicContact CE3-CB 3.85Å; W14-M59 HydrophobicContact CE3-CE 3.55Å; W14-M59 HydrophobicContact CE3-SD 4.01Å; W14-M59 HydrophobicContact CG-CB 4.07Å; W14-M59 HydrophobicContact CG-SD 3.85Å; W14-M59 HydrophobicContact CH2-CB 4.01Å; W14-M59 HydrophobicContact CZ2-CB 3.77Å; W14-M59 HydrophobicContact CZ3-CB 4.05Å; W14-M59 HydrophobicContact CZ3-CE 4.08Å; I26-M59 HydrophobicContact CD1-CE 3.98Å; I26-M59 HydrophobicContact CD1-SD 3.63Å; I26-M59 HydrophobicContact CG2-SD 3.99Å; A46-M59 HydrophobicContact CB-CG 4.43Å; A46-M59 HydrophobicContact CB-SD 4.5Å; T47-M59 WeakPolarHBondContact O-CA 3.21Å; L48-M59 HydrophobicContact CD2-CB 3.66Å; L48-M59 HydrophobicContact CD2-CG 3.66Å; L48-M59 HydrophobicContact CD2-SD 4.22Å; M59-L61 HydrophobicContact CE-CD1 4.13Å; M59-L61 HydrophobicContact CE-CD2 4.22Å; M59-L61 HydrophobicContact CE-CG 4.19Å; M59-L61 HydrophobicContact CG-CD2 4.17Å; M59-L61 HydrophobicContact CG-CG 4.31Å; M59-L61 HydrophobicContact SD-CD2 4.04Å; M59-Y72 HydrophobicContact CE-CD1 3.58Å; M59-Y72 HydrophobicContact CE-CE1 4.29Å; M59-Y72 HydrophobicContact CE-CG 4.21Å |
| 60 | Q | 97.9 | Very high | 96 | Very high | 130 Ų | 130 | 59.5 Ų | 59.5 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.9 | 170.2 | -176.4 | 176.3 | 0.4 | 0 | 0 | 108.2 | A46 T47 | A46-Q60 WeakPolarHBondContact CA-O 3.41Å; T47-Q60 PolarHBondContact N-O 3.35Å; T47-Q60 PolarHBondContact O-N 2.8Å |
| 61 | L | 96.4 | Very high | 96 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.8 | 175.5 | -67.5 | 173.7 | 0 | 0 | 0 | 109.9 | K45 A46 M59 L64 Y72 | K45-L61 CarbonylContact O-C 3.46Å; K45-L61 VanDerWaalsContact O-CA 3.3Å; K45-L61 WeakPolarHBondContact O-CA 3.3Å; A46-L61 HydrophobicContact CB-CD2 4.05Å; M59-L61 HydrophobicContact CE-CD1 4.13Å; M59-L61 HydrophobicContact CE-CD2 4.22Å; M59-L61 HydrophobicContact CE-CG 4.19Å; M59-L61 HydrophobicContact CG-CD2 4.17Å; M59-L61 HydrophobicContact CG-CG 4.31Å; M59-L61 HydrophobicContact SD-CD2 4.04Å; L61-L64 HydrophobicContact CB-CD1 3.87Å; L61-L64 HydrophobicContact CB-CD2 3.9Å; L61-L64 HydrophobicContact CB-CG 4.07Å; L61-L64 HydrophobicContact CD1-CD1 4.12Å; L61-L64 HydrophobicContact CD1-CD2 4.34Å; L61-L64 HydrophobicContact CD2-CD2 4.48Å; L61-L64 HydrophobicContact CG-CD2 4.47Å; L61-Y72 HydrophobicContact CD1-CD1 4.22Å; L61-Y72 HydrophobicContact CD1-CE1 3.76Å; L61-Y72 HydrophobicContact CD1-CE2 4.38Å |
| 62 | S | 95.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | trans | -132.6 | 158.1 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | K45 L64 | K45-S62 PolarHBondContact O-N 3.24Å; K45-S62 PolarHBondContact O-OG 3.1Å; S62-L64 VanDerWaalsContact C-N 3.25Å; S62-L64 PolarHBondContact O-N 2.84Å | ||
| 63 | S | 92.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 52.9 | 41.6 | 176 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 64 | L | 93.9 | Very high | 96.3 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | trans | -73.5 | 143.6 | -178.4 | -64.2 | -175.7 | 0 | 0 | 0 | 111.5 | L61 S62 D68 V97 V99 | L61-L64 HydrophobicContact CB-CD1 3.87Å; L61-L64 HydrophobicContact CB-CD2 3.9Å; L61-L64 HydrophobicContact CB-CG 4.07Å; L61-L64 HydrophobicContact CD1-CD1 4.12Å; L61-L64 HydrophobicContact CD1-CD2 4.34Å; L61-L64 HydrophobicContact CD2-CD2 4.48Å; L61-L64 HydrophobicContact CG-CD2 4.47Å; S62-L64 VanDerWaalsContact C-N 3.25Å; S62-L64 PolarHBondContact O-N 2.84Å; L64-D68 WeakPolarHBondContact CA-OD2 2.92Å; L64-D68 HydrophobicContact CB-CB 4.21Å; L64-D68 HydrophobicContact CD2-CB 3.74Å; L64-D68 HydrophobicContact CG-CB 4.46Å; L64-V97 HydrophobicContact CD1-CG1 4.34Å; L64-V99 HydrophobicContact CB-CG1 4.34Å; L64-V99 HydrophobicContact CB-CG2 3.95Å; L64-V99 HydrophobicContact CD1-CG2 3.97Å | ||
| 65 | T | 94.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | trans | -113.4 | 174.2 | 171 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | E67 D68 V99 | T65-E67 PolarHBondContact O-N 2.93Å; T65-E67 VanDerWaalsContact O-N 3.17Å; T65-D68 PolarHBondContact N-OD2 3.37Å; T65-D68 WeakPolarHBondContact O-CA 3.35Å; T65-D68 VanDerWaalsContact O-CB 3.32Å; T65-D68 WeakPolarHBondContact O-CB 3.47Å; T65-D68 PolarHBondContact O-N 2.99Å; T65-V99 WeakPolarHBondContact O-CB 3.43Å | ||
| 66 | S | 94.6 | Very high | 96 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57 | -30.1 | 176.4 | 54 | 0 | 0 | 0 | 0 | 113.3 | D68 S69 V99 | S66-D68 PolarHBondContact O-N 3.43Å; S66-S69 WeakPolarHBondContact O-CB 3.38Å; S66-S69 PolarHBondContact O-N 2.83Å; S66-S69 VanDerWaalsContact O-N 3.11Å; S66-S69 PolarHBondContact O-OG 3.02Å; S66-V99 WeakPolarHBondContact CA-O 3.13Å |
| 67 | E | 91.9 | Very high | 95.6 | Very high | 136 Ų | 136 | 49.6 Ų | 49.6 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -66.9 | -10.9 | 173.6 | -58.6 | -178.2 | 174.5 | 0 | 0 | 113.9 | K16 R18 T65 | K16-E67 PolarHBondContact NZ-O 2.89Å; K16-E67 VanDerWaalsContact NZ-O 3.1Å; R18-E67 PolarHBondContact NE-O 2.83Å; R18-E67 PolarHBondContact NH2-O 3Å; R18-E67 VanDerWaalsContact NH2-O 3.11Å; T65-E67 PolarHBondContact O-N 2.93Å; T65-E67 VanDerWaalsContact O-N 3.17Å |
| 68 | D | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -87.7 | -4.7 | 174 | -63.9 | -48.9 | 0 | 0 | 0 | 114.3 | K16 K45 L64 T65 S66 A70 Y72 | K16-D68 IonicContact NZ-OD1 3.56Å; K16-D68 PolarHBondContact NZ-OD1 2.82Å; K45-D68 IonicContact NZ-OD1 2.84Å; K45-D68 PolarHBondContact NZ-OD1 2.84Å; K45-D68 IonicContact NZ-OD2 3.35Å; K45-D68 PolarHBondContact NZ-OD2 2.87Å; L64-D68 WeakPolarHBondContact CA-OD2 2.92Å; L64-D68 HydrophobicContact CB-CB 4.21Å; L64-D68 HydrophobicContact CD2-CB 3.74Å; L64-D68 HydrophobicContact CG-CB 4.46Å; T65-D68 PolarHBondContact N-OD2 3.37Å; T65-D68 WeakPolarHBondContact O-CA 3.35Å; T65-D68 VanDerWaalsContact O-CB 3.32Å; T65-D68 WeakPolarHBondContact O-CB 3.47Å; T65-D68 PolarHBondContact O-N 2.99Å; S66-D68 PolarHBondContact O-N 3.43Å; D68-A70 PolarHBondContact O-N 3.05Å; D68-Y72 WeakPolarHBondContact O-CE2 3.4Å; D68-Y72 PolarHBondContact O-OH 3.35Å |
| 69 | S | 96.7 | Very high | 93.1 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | trans | -62 | 119.4 | 172.9 | -61 | 0 | 0 | 0 | 0 | 111.2 | S66 V97 V99 | S66-S69 WeakPolarHBondContact O-CB 3.38Å; S66-S69 PolarHBondContact O-N 2.83Å; S66-S69 VanDerWaalsContact O-N 3.11Å; S66-S69 PolarHBondContact O-OG 3.02Å; S69-V97 VanDerWaalsContact CA-O 3.28Å; S69-V97 WeakPolarHBondContact CA-O 3.38Å; S69-V99 PolarHBondContact OG-N 2.73Å; S69-V99 PolarHBondContact OG-O 3.38Å | ||
| 70 | A | 97.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 170.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K16 Q17 R18 D68 Y72 V97 | K16-A70 HydrophobicContact CD-CB 4.02Å; K16-A70 VanDerWaalsContact CE-CB 3.48Å; K16-A70 HydrophobicContact CG-CB 3.38Å; Q17-A70 WeakPolarHBondContact O-CA 3.32Å; Q17-A70 VanDerWaalsContact O-CB 3.24Å; Q17-A70 WeakPolarHBondContact O-CB 3.46Å; R18-A70 HydrophobicContact CG-CB 4.26Å; D68-A70 PolarHBondContact O-N 3.05Å; A70-Y72 HydrophobicContact CB-CD2 4.33Å; A70-Y72 HydrophobicContact CB-CE2 3.79Å; A70-Y72 WeakPolarHBondContact O-CD2 3.26Å; A70-V97 PolarHBondContact N-O 2.8Å; A70-V97 PolarHBondContact O-N 3.29Å |
| 71 | V | 98.3 | Very high | 89.2 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.1 | 161.5 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | Q17 Y73 T95 | Q17-V71 PolarHBondContact N-O 3.22Å; Q17-V71 PolarHBondContact O-N 2.63Å; V71-Y73 HydrophobicContact CB-CE2 3.82Å; V71-Y73 HydrophobicContact CG1-CD1 4.42Å; V71-Y73 HydrophobicContact CG1-CD2 4.28Å; V71-Y73 HydrophobicContact CG1-CE1 3.76Å; V71-Y73 HydrophobicContact CG1-CE2 3.62Å; V71-Y73 WeakPolarHBondContact CG1-OH 3.22Å; V71-T95 WeakPolarHBondContact CA-O 3.38Å |
| 72 | Y | 98.2 | Very high | 87.1 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.1 | 178.2 | -69.3 | -96.2 | 0 | 0 | 0 | 109.8 | V15 K16 I26 M59 L61 D68 A70 G94 T95 V97 | V15-Y72 CarbonylContact O-C 3.58Å; V15-Y72 WeakPolarHBondContact O-CA 3.43Å; K16-Y72 HydrophobicContact CB-CD1 4.13Å; K16-Y72 HydrophobicContact CB-CE1 3.94Å; K16-Y72 HydrophobicContact CD-CE1 3.91Å; K16-Y72 WeakPolarHBondContact CE-OH 3.46Å; K16-Y72 HydrophobicContact CG-CD1 4.26Å; K16-Y72 HydrophobicContact CG-CE1 3.77Å; K16-Y72 HydrophobicContact CG-CE2 4.43Å; I26-Y72 HydrophobicContact CD1-CD1 3.69Å; I26-Y72 HydrophobicContact CD1-CE1 3.8Å; M59-Y72 HydrophobicContact CE-CD1 3.58Å; M59-Y72 HydrophobicContact CE-CE1 4.29Å; M59-Y72 HydrophobicContact CE-CG 4.21Å; L61-Y72 HydrophobicContact CD1-CD1 4.22Å; L61-Y72 HydrophobicContact CD1-CE1 3.76Å; L61-Y72 HydrophobicContact CD1-CE2 4.38Å; D68-Y72 WeakPolarHBondContact O-CE2 3.4Å; D68-Y72 PolarHBondContact O-OH 3.35Å; A70-Y72 HydrophobicContact CB-CD2 4.33Å; A70-Y72 HydrophobicContact CB-CE2 3.79Å; A70-Y72 WeakPolarHBondContact O-CD2 3.26Å; Y72-G94 CarbonylContact O-C 3.53Å; Y72-G94 WeakPolarHBondContact O-CA 3.21Å; Y72-T95 PolarHBondContact N-O 3.24Å; Y72-T95 PolarHBondContact O-N 2.89Å; Y72-V97 HydrophobicContact CD2-CB 3.8Å; Y72-V97 HydrophobicContact CD2-CG2 3.63Å; Y72-V97 HydrophobicContact CE2-CB 3.71Å; Y72-V97 HydrophobicContact CE2-CG1 4.43Å; Y72-V97 HydrophobicContact CE2-CG2 4Å |
| 73 | Y | 97.9 | Very high | 84.8 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.9 | -178.6 | -55.3 | -90 | 0 | 0 | 0 | 110 | W14 V15 Q17 V71 W91 | W14-Y73 WeakPolarHBondContact CA-O 3.24Å; V15-Y73 PolarHBondContact N-O 3.17Å; V15-Y73 PolarHBondContact O-N 2.97Å; Q17-Y73 HydrophobicContact CB-CD2 4.48Å; Q17-Y73 HydrophobicContact CB-CE2 3.75Å; Q17-Y73 PolarHBondContact OE1-OH 2.92Å; V71-Y73 HydrophobicContact CB-CE2 3.82Å; V71-Y73 HydrophobicContact CG1-CD1 4.42Å; V71-Y73 HydrophobicContact CG1-CD2 4.28Å; V71-Y73 HydrophobicContact CG1-CE1 3.76Å; V71-Y73 HydrophobicContact CG1-CE2 3.62Å; V71-Y73 WeakPolarHBondContact CG1-OH 3.22Å; Y73-W91 HydrophobicContact CG-CE3 4.18Å; Y73-W91 HydrophobicContact CG-CZ3 4.37Å |
| 74 | C | 96.4 | Very high | 82.9 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 30% | 0.297 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 147.2 | 158 | 62.4 | 0 | 0 | 0 | 0 | 109 | M12 H13 W14 G92 | M12-C74 HydrophobicContact SD-CB 4.15Å; H13-C74 CarbonylContact O-C 3.47Å; H13-C74 VanDerWaalsContact O-CA 3.28Å; H13-C74 WeakPolarHBondContact O-CA 3.45Å; W14-C74 HydrophobicContact CD2-CB 4.34Å; W14-C74 HydrophobicContact CE3-CB 4.09Å; W14-C74 HydrophobicContact CH2-CB 4.14Å; W14-C74 HydrophobicContact CZ2-CB 4.35Å; W14-C74 HydrophobicContact CZ3-CB 4Å; C74-G92 PolarHBondContact O-N 3.48Å |
| 75 | A | 95.4 | Very high | 81 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.008 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H13 M88 Y90 W91 | H13-A75 PolarHBondContact CD2-O 2.82Å; H13-A75 PolarHBondContact N-O 2.86Å; H13-A75 PolarHBondContact O-N 3.11Å; A75-M88 HydrophobicContact CB-CB 3.89Å; A75-M88 HydrophobicContact CB-CG 4.05Å; A75-M88 HydrophobicContact CB-SD 3.87Å; A75-Y90 CarbonylContact C-O 3.58Å; A75-Y90 WeakPolarHBondContact CA-O 3.5Å; A75-W91 HydrophobicContact CB-CD2 3.71Å; A75-W91 HydrophobicContact CB-CE3 3.96Å; A75-W91 HydrophobicContact CB-CG 4.13Å; A75-W91 HydrophobicContact CB-CH2 4.42Å; A75-W91 HydrophobicContact CB-CZ2 4.21Å; A75-W91 HydrophobicContact CB-CZ3 4.31Å |
| 76 | R | 92.9 | Very high | 79.4 | Confident | 27 Ų | 27 | 81.8 Ų | 81.8 | 10% | 0.102 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137.3 | 177.1 | -166.9 | -169.1 | 75.6 | -169.5 | 4.1 | 109.8 | Y5 Y10 M12 M88 D89 Y90 | Y5-R76 VanDerWaalsContact CD1-NH1 3.27Å; Y5-R76 VanDerWaalsContact CE2-CD 3.45Å; Y5-R76 HydrophobicContact CE2-CG 4.28Å; Y10-R76 HydrophobicContact CD1-CG 4.41Å; Y10-R76 HydrophobicContact CG-CG 3.94Å; M12-R76 HydrophobicContact CE-CB 4.14Å; M12-R76 HydrophobicContact CE-CG 4.24Å; R76-M88 WeakPolarHBondContact O-CA 3.23Å; R76-D89 PolarHBondContact O-N 3.32Å; R76-D89 VanDerWaalsContact O-N 3.15Å; R76-Y90 VanDerWaalsContact CZ-CD2 3.45Å; R76-Y90 PolarHBondContact N-O 3.46Å |
| 77 | E | 88.6 | Confident | 78.3 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 12% | 0.117 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 143.4 | 167.6 | -166.1 | -174.1 | -163.9 | 0 | 0 | 112.1 | Y10 W11 Y86 | Y10-E77 WeakPolarHBondContact CD1-O 3.31Å; W11-E77 HydrophobicContact CB-CB 4.14Å; W11-E77 WeakPolarHBondContact CB-OE2 3.44Å; W11-E77 PolarHBondContact N-OE2 3.15Å; W11-E77 VanDerWaalsContact N-OE2 3.14Å; W11-E77 PolarHBondContact O-N 2.95Å; E77-Y86 HydrophobicContact CG-CD1 4.38Å; E77-Y86 WeakPolarHBondContact OE1-CD1 3.41Å; E77-Y86 VanDerWaalsContact OE1-CE1 3.28Å; E77-Y86 WeakPolarHBondContact OE1-CE1 3.36Å |
| 78 | G | 78.3 | Confident | 77.9 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 156.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A87 D89 | G78-A87 PolarHBondContact N-O 3.02Å; G78-D89 WeakPolarHBondContact CA-OD2 3.35Å |
| 79 | L | 65.7 | Low | 77.4 | Confident | 119 Ų | 119 | 79.8 Ų | 79.8 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -79.2 | -20.6 | 179.5 | -84.1 | 173 | 0 | 0 | 0 | 113.5 | Y10 R81 D89 | Y10-L79 HydrophobicContact CE1-CD2 3.55Å; Y10-L79 HydrophobicContact CE1-CG 3.66Å; Y10-L79 WeakPolarHBondContact OH-CD1 3.29Å; Y10-L79 WeakPolarHBondContact OH-CD2 3.31Å; Y10-L79 WeakPolarHBondContact OH-CG 3.48Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 2.88Å; L79-D89 PolarHBondContact N-OD2 3.15Å |
| 80 | L | 60.8 | Low | 77.1 | Confident | 125 Ų | 125 | 85.1 Ų | 85.1 | 65% | 0.654 | 42% | 0.416 | S | S | * | . | trans | -77.5 | 86.6 | -175 | -65.3 | 174 | 0 | 0 | 0 | 110 | L82 | L80-L82 HydrophobicContact CD2-CD1 4.5Å; L80-L82 PolarHBondContact O-N 2.8Å | ||
| 81 | R | 52.3 | Low | 76.9 | Confident | 239 Ų | 239 | 89.6 Ų | 89.6 | 90% | 0.902 | 43% | 0.432 | S | S | * | . | trans | -62 | 20.3 | 166 | -87.7 | -172.2 | 166.1 | 163.5 | -1.8 | 114.3 | L79 R83 | L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 2.88Å; R81-R83 PolarHBondContact O-N 3.4Å; R81-R83 VanDerWaalsContact O-N 3.09Å | ||
| 82 | L | 51.3 | Low | 76.8 | Confident | 136 Ų | 136 | 88.9 Ų | 88.9 | 71% | 0.712 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -83.6 | 91.8 | 177.5 | -62.7 | 178.1 | 0 | 0 | 0 | 108.1 | L80 | L80-L82 HydrophobicContact CD2-CD1 4.5Å; L80-L82 PolarHBondContact O-N 2.8Å |
| 83 | R | 47.8 | Very low | 76.7 | Confident | 217 Ų | 217 | 97.1 Ų | 97.1 | 82% | 0.819 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 83.6 | 88.4 | 163.8 | -49.8 | 172.9 | 178.8 | -128.4 | -1.7 | 115.4 | R81 N85 | R81-R83 PolarHBondContact O-N 3.4Å; R81-R83 VanDerWaalsContact O-N 3.09Å; R83-N85 PolarHBondContact O-N 2.59Å |
| 84 | S | 52.7 | Low | 76.6 | Confident | 124 Ų | 124 | 96.2 Ų | 96.2 | 87% | 0.867 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 48.2 | 4.7 | 149 | -53.1 | 0 | 0 | 0 | 0 | 120.2 | ||
| 85 | N | 54.2 | Low | 76.7 | Confident | 138 Ų | 138 | 98.7 Ų | 98.7 | 74% | 0.738 | 49% | 0.489 | S | S | * | . | trans | -132.1 | 108.5 | -178.2 | -71.7 | -27.8 | 0 | 0 | 0 | 107 | R83 A87 | R83-N85 PolarHBondContact O-N 2.59Å; N85-A87 PolarHBondContact O-N 3.47Å | ||
| 86 | Y | 61.9 | Low | 76.8 | Confident | 157 Ų | 157 | 102.7 Ų | 102.7 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | trans | -68 | 93.2 | 176 | -59.4 | -70.2 | 0 | 0 | 0 | 109 | E77 | E77-Y86 HydrophobicContact CG-CD1 4.38Å; E77-Y86 WeakPolarHBondContact OE1-CD1 3.41Å; E77-Y86 VanDerWaalsContact OE1-CE1 3.28Å; E77-Y86 WeakPolarHBondContact OE1-CE1 3.36Å | ||
| 87 | A | 70.3 | Confident | 77 | Confident | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | trans | -65.9 | 139.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G78 N85 D89 | G78-A87 PolarHBondContact N-O 3.02Å; N85-A87 PolarHBondContact O-N 3.47Å; A87-D89 PolarHBondContact O-N 3.28Å | ||
| 88 | M | 85.1 | Confident | 77.4 | Confident | 48 Ų | 48 | 107.6 Ų | 107.6 | 24% | 0.236 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 94 | 174.3 | -67.6 | 174.3 | -157.4 | 0 | 0 | 108.5 | H13 V15 W25 A75 R76 W91 | H13-M88 HydrophobicContact CB-CE 3.83Å; H13-M88 HydrophobicContact CB-CG 4.49Å; H13-M88 HydrophobicContact CB-SD 4.02Å; V15-M88 HydrophobicContact CG2-CE 4.28Å; V15-M88 HydrophobicContact CG2-SD 3.91Å; W25-M88 VanDerWaalsContact CD1-CE 3.5Å; W25-M88 HydrophobicContact CG-CE 4.46Å; A75-M88 HydrophobicContact CB-CB 3.89Å; A75-M88 HydrophobicContact CB-CG 4.05Å; A75-M88 HydrophobicContact CB-SD 3.87Å; R76-M88 WeakPolarHBondContact O-CA 3.23Å; M88-W91 HydrophobicContact CB-CZ2 3.75Å; M88-W91 HydrophobicContact CG-CZ2 4.3Å; M88-W91 PolarHBondContact O-NE1 2.62Å; M88-W91 HydrophobicContact SD-CH2 3.79Å; M88-W91 HydrophobicContact SD-CZ2 3.56Å; M88-W91 VanDerWaalsContact SD-CZ2 3.56Å |
| 89 | D | 83.3 | Confident | 78.2 | Confident | 72 Ų | 72 | 108.5 Ų | 108.5 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.2 | -25.9 | -170.2 | -73.1 | -3.7 | 0 | 0 | 0 | 113.1 | R76 G78 L79 A87 | R76-D89 PolarHBondContact O-N 3.32Å; R76-D89 VanDerWaalsContact O-N 3.15Å; G78-D89 WeakPolarHBondContact CA-OD2 3.35Å; L79-D89 PolarHBondContact N-OD2 3.15Å; A87-D89 PolarHBondContact O-N 3.28Å |
| 90 | Y | 89.6 | Confident | 79.5 | Confident | 144 Ų | 144 | 107.9 Ų | 107.9 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.9 | -176.6 | -66.7 | -96.1 | 0 | 0 | 0 | 110.8 | A75 R76 | A75-Y90 CarbonylContact C-O 3.58Å; A75-Y90 WeakPolarHBondContact CA-O 3.5Å; R76-Y90 VanDerWaalsContact CZ-CD2 3.45Å; R76-Y90 PolarHBondContact N-O 3.46Å |
| 91 | W | 94.3 | Very high | 80.5 | Confident | 101 Ų | 101 | 110.5 Ų | 110.5 | 38% | 0.383 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117 | 139.8 | -177.4 | -68.9 | 71.8 | 0 | 0 | 0 | 110.8 | V15 L23 Y73 A75 M88 | V15-W91 HydrophobicContact CB-CH2 4.01Å; V15-W91 HydrophobicContact CB-CZ3 3.76Å; V15-W91 HydrophobicContact CG1-CH2 3.97Å; V15-W91 HydrophobicContact CG1-CZ3 3.93Å; V15-W91 HydrophobicContact CG2-CH2 3.69Å; V15-W91 HydrophobicContact CG2-CZ3 3.86Å; L23-W91 HydrophobicContact CD1-CH2 3.84Å; L23-W91 HydrophobicContact CD1-CZ2 4.4Å; L23-W91 HydrophobicContact CD1-CZ3 4.35Å; L23-W91 HydrophobicContact CD2-CZ3 4.47Å; Y73-W91 HydrophobicContact CG-CE3 4.18Å; Y73-W91 HydrophobicContact CG-CZ3 4.37Å; A75-W91 HydrophobicContact CB-CD2 3.71Å; A75-W91 HydrophobicContact CB-CE3 3.96Å; A75-W91 HydrophobicContact CB-CG 4.13Å; A75-W91 HydrophobicContact CB-CH2 4.42Å; A75-W91 HydrophobicContact CB-CZ2 4.21Å; A75-W91 HydrophobicContact CB-CZ3 4.31Å; M88-W91 HydrophobicContact CB-CZ2 3.75Å; M88-W91 HydrophobicContact CG-CZ2 4.3Å; M88-W91 PolarHBondContact O-NE1 2.62Å; M88-W91 HydrophobicContact SD-CH2 3.79Å; M88-W91 HydrophobicContact SD-CZ2 3.56Å; M88-W91 VanDerWaalsContact SD-CZ2 3.56Å |
| 92 | G | 95.4 | Very high | 81.9 | Confident | 27 Ų | 27 | 104.1 Ų | 104.1 | 28% | 0.278 | 57% | 0.574 | S | S | . | * | trans | -67.9 | 163.5 | 165 | 0 | 0 | 0 | 0 | 0 | 111.1 | C74 G94 | C74-G92 PolarHBondContact O-N 3.48Å; G92-G94 PolarHBondContact O-N 3.5Å; G92-G94 VanDerWaalsContact O-N 3.1Å | ||
| 93 | Q | 96.3 | Very high | 83.6 | Confident | 187 Ų | 187 | 102.4 Ų | 102.4 | 87% | 0.874 | 57% | 0.566 | S | S | * | * | trans | -64.9 | -14.3 | 179.2 | -63.4 | -59.1 | -46.2 | 0 | 0 | 113.8 | ||||
| 94 | G | 96.7 | Very high | 85.5 | Confident | 24 Ų | 24 | 96 Ų | 96 | 25% | 0.247 | 55% | 0.552 | C | S | . | * | trans | 84.3 | 162.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y72 G92 | Y72-G94 CarbonylContact O-C 3.53Å; Y72-G94 WeakPolarHBondContact O-CA 3.21Å; G92-G94 PolarHBondContact O-N 3.5Å; G92-G94 VanDerWaalsContact O-N 3.1Å | ||
| 95 | T | 97.4 | Very high | 87.5 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 127.2 | 174.2 | -69.9 | 0 | 0 | 0 | 0 | 108.9 | V71 Y72 V97 | V71-T95 WeakPolarHBondContact CA-O 3.38Å; Y72-T95 PolarHBondContact N-O 3.24Å; Y72-T95 PolarHBondContact O-N 2.89Å; T95-V97 PolarHBondContact O-N 2.64Å |
| 96 | S | 97.8 | Very high | 89.6 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 97 | V | 96.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 87.3 Ų | 87.3 | 26% | 0.255 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.7 | 168.8 | 178.6 | 0 | 0 | 0 | 0 | 106.8 | L64 S69 A70 Y72 T95 V99 | L64-V97 HydrophobicContact CD1-CG1 4.34Å; S69-V97 VanDerWaalsContact CA-O 3.28Å; S69-V97 WeakPolarHBondContact CA-O 3.38Å; A70-V97 PolarHBondContact N-O 2.8Å; A70-V97 PolarHBondContact O-N 3.29Å; Y72-V97 HydrophobicContact CD2-CB 3.8Å; Y72-V97 HydrophobicContact CD2-CG2 3.63Å; Y72-V97 HydrophobicContact CE2-CB 3.71Å; Y72-V97 HydrophobicContact CE2-CG1 4.43Å; Y72-V97 HydrophobicContact CE2-CG2 4Å; T95-V97 PolarHBondContact O-N 2.64Å; V97-V99 HydrophobicContact CG1-CG2 4.24Å |
| 98 | T | 96.8 | Very high | 92.9 | Very high | 113 Ų | 113 | 89.8 Ų | 89.8 | 69% | 0.693 | 52% | 0.521 | S | S | * | . | trans | -116.7 | 128.2 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 99 | V | 95.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 93 Ų | 93 | 20% | 0.2 | 54% | 0.543 | C | S | . | . | trans | -120.6 | 117.6 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 107 | L64 T65 S66 S69 V97 | L64-V99 HydrophobicContact CB-CG1 4.34Å; L64-V99 HydrophobicContact CB-CG2 3.95Å; L64-V99 HydrophobicContact CD1-CG2 3.97Å; T65-V99 WeakPolarHBondContact O-CB 3.43Å; S66-V99 WeakPolarHBondContact CA-O 3.13Å; S69-V99 PolarHBondContact OG-N 2.73Å; S69-V99 PolarHBondContact OG-O 3.38Å; V97-V99 HydrophobicContact CG1-CG2 4.24Å | ||
| 100 | S | 92.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 94.8 Ų | 94.8 | 74% | 0.741 | 56% | 0.556 | S | S | * | * | trans | -110.3 | 148.2 | 173.7 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 101 | S | 83 | Confident | 94.8 | Very high | 179 Ų | 179 | 90.3 Ų | 90.3 | 100% | 1.252 | 56% | 0.555 | S | S | * | * | trans | -69.1 | 0 | 169.8 | 55.2 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 101 of 101 residues in 69.8 ms
(Link to these results)