| 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 | Y | 84.6 | Confident | 94.5 | Very high | 100 Ų | 100 | 49.4 Ų | 49.4 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | 0 | 141.5 | 0 | 173 | -109.6 | 0 | 0 | 0 | 109.5 | M3 S22 R66 D67 | Y1-M3 HydrophobicContact CD1-CG 4.36Å; Y1-M3 HydrophobicContact CE1-CG 3.54Å; Y1-M3 HydrophobicContact CE1-SD 4.13Å; Y1-S22 PolarHBondContact O-N 3.04Å; Y1-R66 HydrophobicContact CE2-CB 3.92Å; Y1-R66 HydrophobicContact CE2-CG 4.25Å; Y1-R66 WeakPolarHBondContact OH-CB 3.13Å; Y1-R66 WeakPolarHBondContact OH-CD 3.34Å; Y1-R66 WeakPolarHBondContact OH-CG 3.39Å; Y1-R66 PolarHBondContact OH-NE 3.26Å; Y1-R66 PolarHBondContact OH-NH1 2.92Å; Y1-D67 WeakPolarHBondContact CD2-OD1 3.47Å; Y1-D67 HydrophobicContact CE2-CB 4.15Å; Y1-D67 VanDerWaalsContact CE2-N 3.34Å; Y1-D67 WeakPolarHBondContact CE2-OD1 3.46Å; Y1-D67 WeakPolarHBondContact CE2-OD2 3.44Å; Y1-D67 PolarHBondContact OH-OD2 3.09Å | |||
| 2 | A | 90.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I20 | A2-I20 WeakPolarHBondContact CA-O 3.39Å |
| 3 | M | 96 | Very high | 94 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.4 | 169.3 | -56.4 | -179.9 | 69.6 | 0 | 0 | 108.9 | Y1 S19 I20 R40 L47 A65 R66 | Y1-M3 HydrophobicContact CD1-CG 4.36Å; Y1-M3 HydrophobicContact CE1-CG 3.54Å; Y1-M3 HydrophobicContact CE1-SD 4.13Å; M3-S19 WeakPolarHBondContact O-CA 3.31Å; M3-I20 PolarHBondContact N-O 2.83Å; M3-I20 PolarHBondContact O-N 2.83Å; M3-R40 PolarHBondContact SD-NE 3.13Å; M3-L47 HydrophobicContact CB-CD1 3.96Å; M3-L47 HydrophobicContact CB-CD2 3.8Å; M3-L47 HydrophobicContact CB-CG 4.38Å; M3-L47 HydrophobicContact CE-CB 3.87Å; M3-L47 HydrophobicContact CE-CD2 4.44Å; M3-L47 HydrophobicContact SD-CB 4.39Å; M3-A65 CarbonylContact C-O 3.54Å; M3-A65 WeakPolarHBondContact CA-O 3.45Å; M3-R66 HydrophobicContact CB-CB 4.49Å; M3-R66 HydrophobicContact CE-CB 4.49Å; M3-R66 HydrophobicContact CG-CB 3.97Å |
| 4 | S | 96.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.6 | -170.8 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | W16 A18 S19 C64 A65 | S4-W16 VanDerWaalsContact OG-CZ2 3.27Å; S4-W16 WeakPolarHBondContact OG-CZ2 3Å; S4-A18 CarbonylContact C-O 3.56Å; S4-A18 VanDerWaalsContact CA-O 3.26Å; S4-A18 WeakPolarHBondContact CA-O 3.32Å; S4-S19 WeakPolarHBondContact OG-CB 3.22Å; S4-C64 CarbonylContact O-C 3.55Å; S4-C64 WeakPolarHBondContact O-CA 2.94Å; S4-A65 PolarHBondContact N-O 2.62Å; S4-A65 PolarHBondContact O-N 3.17Å |
| 5 | W | 98.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 66.7 Ų | 66.7 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.4 | 159.9 | -76.5 | 97.6 | 0 | 0 | 0 | 109.2 | V17 A18 L47 L49 Y63 C64 | W5-V17 HydrophobicContact CB-CB 4.03Å; W5-V17 HydrophobicContact CB-CG1 4.44Å; W5-V17 WeakPolarHBondContact O-CB 3.49Å; W5-V17 PolarHBondContact O-N 3.28Å; W5-A18 PolarHBondContact N-O 3.31Å; W5-A18 PolarHBondContact O-N 3Å; W5-L47 HydrophobicContact CG-CD2 4.32Å; W5-L47 VanDerWaalsContact NE1-CD2 3.33Å; W5-L49 HydrophobicContact CB-CD2 4.11Å; W5-L49 HydrophobicContact CD2-CB 4.1Å; W5-L49 HydrophobicContact CD2-CD2 4.22Å; W5-L49 HydrophobicContact CG-CB 4.04Å; W5-L49 HydrophobicContact CG-CD1 4.38Å; W5-L49 HydrophobicContact CG-CD2 3.96Å; W5-L49 HydrophobicContact CG-CG 4.36Å; W5-L49 HydrophobicContact CZ2-CB 4.43Å; W5-Y63 WeakPolarHBondContact CA-O 3.22Å; W5-Y63 VanDerWaalsContact CE3-O 3.28Å; W5-C64 HydrophobicContact CD2-CB 4.31Å; W5-C64 HydrophobicContact CE3-CB 4.21Å; W5-C64 HydrophobicContact CH2-CB 3.99Å; W5-C64 HydrophobicContact CZ2-CB 4.08Å; W5-C64 HydrophobicContact CZ3-CB 4.05Å |
| 6 | V | 97.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | L14 E15 Y62 Y63 F69 W72 | V6-L14 HydrophobicContact CG1-CB 4.31Å; V6-L14 HydrophobicContact CG1-CD2 3.98Å; V6-E15 CarbonylContact C-O 3.55Å; V6-E15 WeakPolarHBondContact CA-O 3.3Å; V6-E15 VanDerWaalsContact CG1-O 3.28Å; V6-E15 WeakPolarHBondContact CG1-O 3.28Å; V6-Y62 CarbonylContact O-C 3.42Å; V6-Y62 WeakPolarHBondContact O-CA 3.4Å; V6-Y63 PolarHBondContact N-O 2.73Å; V6-Y63 PolarHBondContact O-N 2.82Å; V6-F69 HydrophobicContact CG2-CD1 4.28Å; V6-F69 HydrophobicContact CG2-CE1 3.51Å; V6-F69 HydrophobicContact CG2-CZ 4.31Å; V6-W72 HydrophobicContact CB-CH2 4.07Å; V6-W72 HydrophobicContact CB-CZ3 3.82Å; V6-W72 HydrophobicContact CG1-CH2 3.95Å; V6-W72 HydrophobicContact CG1-CZ3 3.97Å; V6-W72 HydrophobicContact CG2-CH2 3.96Å; V6-W72 HydrophobicContact CG2-CZ3 4.08Å |
| 7 | R | 97.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 65.3 Ų | 65.3 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.6 | 172.1 | 70.4 | -177.3 | -177.9 | -177.4 | 7.2 | 111.2 | L14 E15 V17 D58 A60 M61 Y62 | R7-L14 CarbonylContact O-C 3.59Å; R7-L14 WeakPolarHBondContact O-CA 3.41Å; R7-E15 HydrophobicContact CG-CB 3.99Å; R7-E15 IonicContact CZ-OE2 2.88Å; R7-E15 VanDerWaalsContact CZ-OE2 3.31Å; R7-E15 PolarHBondContact N-O 3.12Å; R7-E15 IonicContact NE-OE2 2.83Å; R7-E15 PolarHBondContact NE-OE2 2.95Å; R7-E15 IonicContact NH2-OE2 3.31Å; R7-E15 PolarHBondContact NH2-OE2 2.93Å; R7-E15 PolarHBondContact O-N 3.17Å; R7-V17 HydrophobicContact CB-CG2 3.73Å; R7-V17 HydrophobicContact CG-CG2 3.58Å; R7-D58 IonicContact NH1-OD1 3.83Å; R7-D58 PolarHBondContact NH1-OD1 3.04Å; R7-A60 HydrophobicContact CB-CB 3.86Å; R7-A60 HydrophobicContact CG-CB 4.19Å; R7-M61 CarbonylContact C-O 3.59Å; R7-M61 WeakPolarHBondContact CA-O 3.48Å; R7-Y62 HydrophobicContact CB-CD1 3.82Å; R7-Y62 HydrophobicContact CB-CD2 4.37Å; R7-Y62 HydrophobicContact CB-CE1 3.76Å; R7-Y62 HydrophobicContact CB-CE2 4.3Å; R7-Y62 HydrophobicContact CB-CG 4.13Å; R7-Y62 WeakPolarHBondContact CD-OH 3.27Å; R7-Y62 HydrophobicContact CG-CE1 4.39Å; R7-Y62 PolarHBondContact NH1-OH 3.38Å |
| 8 | Q | 97.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115 | 167.7 | -171.4 | 175.1 | 46.6 | 0 | 0 | 108.6 | R13 L14 A60 M61 Y63 | Q8-R13 WeakPolarHBondContact CA-O 3.5Å; Q8-L14 HydrophobicContact CB-CD2 3.8Å; Q8-L14 HydrophobicContact CG-CD2 4.2Å; Q8-A60 WeakPolarHBondContact O-CA 3.36Å; Q8-A60 VanDerWaalsContact O-CB 3.28Å; Q8-A60 WeakPolarHBondContact O-CB 3.14Å; Q8-M61 HydrophobicContact CB-CB 4.48Å; Q8-M61 PolarHBondContact N-O 2.83Å; Q8-M61 PolarHBondContact O-N 3.27Å; Q8-Y63 HydrophobicContact CB-CE2 3.84Å |
| 9 | T | 95.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | trans | -69.2 | 163.9 | 177.1 | 76.9 | 0 | 0 | 0 | 0 | 110.6 | E11 K12 R13 E15 | T9-E11 VanDerWaalsContact CB-OE2 3.23Å; T9-E11 WeakPolarHBondContact CB-OE2 3.39Å; T9-E11 PolarHBondContact O-N 2.9Å; T9-E11 VanDerWaalsContact O-N 3.13Å; T9-E11 PolarHBondContact OG1-N 2.67Å; T9-E11 PolarHBondContact OG1-OE2 2.94Å; T9-K12 WeakPolarHBondContact O-CA 3.42Å; T9-K12 PolarHBondContact O-N 3.19Å; T9-R13 PolarHBondContact N-O 3.06Å; T9-E15 HydrophobicContact CG2-CG 4.07Å | ||
| 10 | P | 91.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 58% | 0.584 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.6 | 175 | -27 | 36.8 | 0 | 0 | 0 | 113.7 | K12 T59 | P10-K12 PolarHBondContact O-N 3.18Å; P10-K12 VanDerWaalsContact O-N 3.17Å; P10-T59 WeakPolarHBondContact CD-O 3.32Å |
| 11 | E | 93.3 | Very high | 94.9 | Very high | 148 Ų | 148 | 56.1 Ų | 56.1 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 9 | 174.8 | -53.4 | 70.3 | -147.9 | 0 | 0 | 113.2 | T9 R13 | T9-E11 VanDerWaalsContact CB-OE2 3.23Å; T9-E11 WeakPolarHBondContact CB-OE2 3.39Å; T9-E11 PolarHBondContact O-N 2.9Å; T9-E11 VanDerWaalsContact O-N 3.13Å; T9-E11 PolarHBondContact OG1-N 2.67Å; T9-E11 PolarHBondContact OG1-OE2 2.94Å; E11-R13 PolarHBondContact O-N 2.91Å |
| 12 | K | 90.1 | Very high | 95.2 | Very high | 168 Ų | 168 | 54.5 Ų | 54.5 | 73% | 0.73 | 27% | 0.272 | S | S | * | . | trans | 65.5 | 16.4 | 179.8 | -54.2 | -178.9 | 178.8 | 179.3 | 0 | 114.9 | T9 P10 | T9-K12 WeakPolarHBondContact O-CA 3.42Å; T9-K12 PolarHBondContact O-N 3.19Å; P10-K12 PolarHBondContact O-N 3.18Å; P10-K12 VanDerWaalsContact O-N 3.17Å | ||
| 13 | R | 93.2 | Very high | 95.3 | Very high | 162 Ų | 162 | 55.7 Ų | 55.7 | 61% | 0.611 | 29% | 0.289 | S | S | * | . | trans | -80.4 | 127.6 | 174.6 | -176.4 | 171.9 | 117.8 | 167 | 2.6 | 110.2 | Q8 T9 E11 E15 | Q8-R13 WeakPolarHBondContact CA-O 3.5Å; T9-R13 PolarHBondContact N-O 3.06Å; E11-R13 PolarHBondContact O-N 2.91Å; R13-E15 HydrophobicContact CG-CG 4.2Å; R13-E15 IonicContact CZ-OE1 3.06Å; R13-E15 IonicContact NE-OE1 2.87Å; R13-E15 PolarHBondContact NE-OE1 2.94Å; R13-E15 IonicContact NH2-OE1 2.65Å; R13-E15 PolarHBondContact NH2-OE1 3.36Å | ||
| 14 | L | 95.1 | Very high | 95.3 | Very high | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128 | 169.8 | -71.4 | 170.9 | 0 | 0 | 0 | 109.9 | V6 R7 Q8 | V6-L14 HydrophobicContact CG1-CB 4.31Å; V6-L14 HydrophobicContact CG1-CD2 3.98Å; R7-L14 CarbonylContact O-C 3.59Å; R7-L14 WeakPolarHBondContact O-CA 3.41Å; Q8-L14 HydrophobicContact CB-CD2 3.8Å; Q8-L14 HydrophobicContact CG-CD2 4.2Å |
| 15 | E | 95.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 60.8 Ų | 60.8 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.7 | 179 | -56.6 | -170.2 | 149 | 0 | 0 | 110 | V6 R7 T9 R13 | V6-E15 CarbonylContact C-O 3.55Å; V6-E15 WeakPolarHBondContact CA-O 3.3Å; V6-E15 VanDerWaalsContact CG1-O 3.28Å; V6-E15 WeakPolarHBondContact CG1-O 3.28Å; R7-E15 HydrophobicContact CG-CB 3.99Å; R7-E15 IonicContact CZ-OE2 2.88Å; R7-E15 VanDerWaalsContact CZ-OE2 3.31Å; R7-E15 PolarHBondContact N-O 3.12Å; R7-E15 IonicContact NE-OE2 2.83Å; R7-E15 PolarHBondContact NE-OE2 2.95Å; R7-E15 IonicContact NH2-OE2 3.31Å; R7-E15 PolarHBondContact NH2-OE2 2.93Å; R7-E15 PolarHBondContact O-N 3.17Å; T9-E15 HydrophobicContact CG2-CG 4.07Å; R13-E15 HydrophobicContact CG-CG 4.2Å; R13-E15 IonicContact CZ-OE1 3.06Å; R13-E15 IonicContact NE-OE1 2.87Å; R13-E15 PolarHBondContact NE-OE1 2.94Å; R13-E15 IonicContact NH2-OE1 2.65Å; R13-E15 PolarHBondContact NH2-OE1 3.36Å |
| 16 | W | 95.5 | Very high | 95.2 | Very high | 109 Ų | 109 | 62.4 Ų | 62.4 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 139.1 | 169.1 | -145.9 | -60.9 | 0 | 0 | 0 | 109.7 | S4 A18 P29 F69 | S4-W16 VanDerWaalsContact OG-CZ2 3.27Å; S4-W16 WeakPolarHBondContact OG-CZ2 3Å; W16-A18 PolarHBondContact NE1-O 3.37Å; W16-P29 WeakPolarHBondContact O-CG 3.18Å; W16-F69 AromaticContact CD2-CZ 3.98Å; W16-F69 HydrophobicContact CD2-CZ 3.98Å; W16-F69 AromaticContact CE2-CZ 3.85Å; W16-F69 HydrophobicContact CE3-CE2 4.11Å; W16-F69 AromaticContact CE3-CZ 3.62Å; W16-F69 HydrophobicContact CE3-CZ 3.62Å; W16-F69 HydrophobicContact CH2-CE1 4.37Å; W16-F69 AromaticContact CH2-CE2 3.24Å; W16-F69 HydrophobicContact CH2-CE2 3.24Å; W16-F69 AromaticContact CH2-CZ 3.1Å; W16-F69 HydrophobicContact CH2-CZ 3.1Å; W16-F69 HydrophobicContact CZ2-CE1 4.42Å; W16-F69 HydrophobicContact CZ2-CE2 4.04Å; W16-F69 AromaticContact CZ2-CZ 3.44Å; W16-F69 HydrophobicContact CZ2-CZ 3.44Å; W16-F69 VanDerWaalsContact CZ2-CZ 3.44Å; W16-F69 HydrophobicContact CZ3-CE1 4.49Å; W16-F69 AromaticContact CZ3-CE2 3.27Å; W16-F69 HydrophobicContact CZ3-CE2 3.27Å; W16-F69 AromaticContact CZ3-CZ 3.18Å; W16-F69 HydrophobicContact CZ3-CZ 3.18Å |
| 17 | V | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -51.3 | 178.7 | -180 | 0 | 0 | 0 | 0 | 111.1 | W5 R7 P29 V32 F36 L49 Y62 | W5-V17 HydrophobicContact CB-CB 4.03Å; W5-V17 HydrophobicContact CB-CG1 4.44Å; W5-V17 WeakPolarHBondContact O-CB 3.49Å; W5-V17 PolarHBondContact O-N 3.28Å; R7-V17 HydrophobicContact CB-CG2 3.73Å; R7-V17 HydrophobicContact CG-CG2 3.58Å; V17-P29 WeakPolarHBondContact O-CD 3.23Å; V17-V32 HydrophobicContact CG1-CG2 4.4Å; V17-V32 WeakPolarHBondContact O-CG2 3.18Å; V17-F36 HydrophobicContact CG1-CD2 3.58Å; V17-F36 HydrophobicContact CG1-CE2 3.98Å; V17-L49 HydrophobicContact CG1-CD1 4.35Å; V17-L49 HydrophobicContact CG1-CD2 3.85Å; V17-Y62 HydrophobicContact CG1-CE1 4.29Å; V17-Y62 HydrophobicContact CG2-CD1 4.22Å; V17-Y62 HydrophobicContact CG2-CE1 3.94Å |
| 18 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 159.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S4 W5 W16 Y27 Y28 I38 L49 | S4-A18 CarbonylContact C-O 3.56Å; S4-A18 VanDerWaalsContact CA-O 3.26Å; S4-A18 WeakPolarHBondContact CA-O 3.32Å; W5-A18 PolarHBondContact N-O 3.31Å; W5-A18 PolarHBondContact O-N 3Å; W16-A18 PolarHBondContact NE1-O 3.37Å; A18-Y27 VanDerWaalsContact CA-O 3.32Å; A18-Y27 WeakPolarHBondContact CA-O 3.48Å; A18-Y28 HydrophobicContact CB-CD1 3.69Å; A18-Y28 HydrophobicContact CB-CE1 3.76Å; A18-I38 HydrophobicContact CB-CB 3.79Å; A18-I38 HydrophobicContact CB-CD1 3.88Å; A18-I38 HydrophobicContact CB-CG1 4.36Å; A18-I38 HydrophobicContact CB-CG2 4Å; A18-L49 HydrophobicContact CB-CD1 4.18Å |
| 19 | S | 97.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.5 | 167.4 | 65 | 0 | 0 | 0 | 0 | 111.7 | M3 S4 T26 Y27 | M3-S19 WeakPolarHBondContact O-CA 3.31Å; S4-S19 WeakPolarHBondContact OG-CB 3.22Å; S19-T26 CarbonylContact O-C 3.54Å; S19-T26 VanDerWaalsContact O-CA 3.25Å; S19-T26 WeakPolarHBondContact O-CA 3.44Å; S19-Y27 PolarHBondContact N-O 2.83Å; S19-Y27 PolarHBondContact O-N 3.21Å |
| 20 | I | 97.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 73.7 Ų | 73.7 | 7% | 0.067 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130.6 | 176.7 | -169.8 | 168.1 | 0 | 0 | 0 | 109.9 | A2 M3 S25 T26 I38 R40 L47 | A2-I20 WeakPolarHBondContact CA-O 3.39Å; M3-I20 PolarHBondContact N-O 2.83Å; M3-I20 PolarHBondContact O-N 2.83Å; I20-S25 WeakPolarHBondContact CA-O 3.49Å; I20-T26 HydrophobicContact CB-CG2 4.23Å; I20-T26 HydrophobicContact CD1-CG2 3.87Å; I20-T26 HydrophobicContact CG1-CG2 3.86Å; I20-I38 HydrophobicContact CB-CD1 4.12Å; I20-I38 HydrophobicContact CB-CG1 4.33Å; I20-I38 HydrophobicContact CB-CG2 3.99Å; I20-I38 HydrophobicContact CG2-CD1 3.79Å; I20-I38 HydrophobicContact CG2-CG1 4.02Å; I20-R40 HydrophobicContact CD1-CB 4.28Å; I20-R40 HydrophobicContact CG2-CB 4.1Å; I20-L47 HydrophobicContact CG2-CD1 3.47Å; I20-L47 VanDerWaalsContact CG2-CD1 3.47Å |
| 21 | S | 94.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 72.2 Ų | 72.2 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 163 | 174 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | G23 G24 S25 | S21-G23 PolarHBondContact O-N 2.91Å; S21-G23 PolarHBondContact OG-N 3.31Å; S21-G24 PolarHBondContact O-N 2.88Å; S21-G24 PolarHBondContact OG-N 3.07Å; S21-S25 PolarHBondContact N-O 2.68Å; S21-S25 PolarHBondContact OG-N 3.29Å |
| 22 | S | 91.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.9 | 171.7 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | Y1 G24 | Y1-S22 PolarHBondContact O-N 3.04Å; S22-G24 VanDerWaalsContact C-N 3.32Å |
| 23 | G | 92.9 | Very high | 95.8 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 71% | 0.711 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S21 | S21-G23 PolarHBondContact O-N 2.91Å; S21-G23 PolarHBondContact OG-N 3.31Å |
| 24 | G | 94.4 | Very high | 95.9 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | trans | 87.5 | 1.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S21 S22 T26 | S21-G24 PolarHBondContact O-N 2.88Å; S21-G24 PolarHBondContact OG-N 3.07Å; S22-G24 VanDerWaalsContact C-N 3.32Å; G24-T26 PolarHBondContact O-N 3.16Å | ||
| 25 | S | 96.2 | Very high | 96 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | trans | -68 | 125.6 | 173.8 | -46.4 | 0 | 0 | 0 | 0 | 110 | I20 S21 | I20-S25 WeakPolarHBondContact CA-O 3.49Å; S21-S25 PolarHBondContact N-O 2.68Å; S21-S25 PolarHBondContact OG-N 3.29Å | ||
| 26 | T | 97.8 | Very high | 96.1 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146.5 | -177.7 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | S19 I20 G24 I38 | S19-T26 CarbonylContact O-C 3.54Å; S19-T26 VanDerWaalsContact O-CA 3.25Å; S19-T26 WeakPolarHBondContact O-CA 3.44Å; I20-T26 HydrophobicContact CB-CG2 4.23Å; I20-T26 HydrophobicContact CD1-CG2 3.87Å; I20-T26 HydrophobicContact CG1-CG2 3.86Å; G24-T26 PolarHBondContact O-N 3.16Å; T26-I38 HydrophobicContact CG2-CG2 3.76Å |
| 27 | Y | 96.9 | Very high | 96.3 | Very high | 129 Ų | 129 | 53.1 Ų | 53.1 | 51% | 0.506 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142.1 | 169.2 | 168.1 | -93.4 | 0 | 0 | 0 | 110.7 | A18 S19 | A18-Y27 VanDerWaalsContact CA-O 3.32Å; A18-Y27 WeakPolarHBondContact CA-O 3.48Å; S19-Y27 PolarHBondContact N-O 2.83Å; S19-Y27 PolarHBondContact O-N 3.21Å |
| 28 | Y | 97.9 | Very high | 96.3 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | trans | -138 | 133.8 | 175.8 | -56.2 | -87.2 | 0 | 0 | 0 | 109.5 | A18 F36 T37 I38 | A18-Y28 HydrophobicContact CB-CD1 3.69Å; A18-Y28 HydrophobicContact CB-CE1 3.76Å; Y28-F36 WeakPolarHBondContact CE1-O 3Å; Y28-T37 WeakPolarHBondContact OH-CA 3.21Å; Y28-I38 HydrophobicContact CE1-CB 4.27Å; Y28-I38 HydrophobicContact CE1-CG2 3.93Å; Y28-I38 WeakPolarHBondContact OH-CG2 3.36Å; Y28-I38 PolarHBondContact OH-N 3.07Å | ||
| 29 | P | 96.8 | Very high | 96.3 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | trans | -73.6 | 156.6 | 166.9 | 25.9 | -21.1 | 0 | 0 | 0 | 111.2 | W16 V17 S31 V32 K33 | W16-P29 WeakPolarHBondContact O-CG 3.18Å; V17-P29 WeakPolarHBondContact O-CD 3.23Å; P29-S31 PolarHBondContact O-N 2.89Å; P29-S31 VanDerWaalsContact O-N 3.13Å; P29-V32 HydrophobicContact CG-CG2 4.04Å; P29-V32 PolarHBondContact O-N 3.43Å; P29-V32 VanDerWaalsContact O-N 3.16Å; P29-K33 PolarHBondContact O-N 2.82Å | ||
| 30 | D | 96.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 57.4 Ų | 57.4 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26 | -174.5 | -66.5 | -32.4 | 0 | 0 | 0 | 113.6 | V32 | D30-V32 PolarHBondContact O-N 2.73Š|
| 31 | S | 93.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.7 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 114 | P29 R35 | P29-S31 PolarHBondContact O-N 2.89Å; P29-S31 VanDerWaalsContact O-N 3.13Å; S31-R35 PolarHBondContact O-NH2 3.17Å |
| 32 | V | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -4.8 | -175.5 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | V17 P29 D30 G34 R35 F36 | V17-V32 HydrophobicContact CG1-CG2 4.4Å; V17-V32 WeakPolarHBondContact O-CG2 3.18Å; P29-V32 HydrophobicContact CG-CG2 4.04Å; P29-V32 PolarHBondContact O-N 3.43Å; P29-V32 VanDerWaalsContact O-N 3.16Å; D30-V32 PolarHBondContact O-N 2.73Å; V32-G34 PolarHBondContact O-N 3.36Å; V32-R35 PolarHBondContact O-N 2.8Å; V32-F36 HydrophobicContact CB-CB 4.17Å; V32-F36 HydrophobicContact CB-CD1 4.48Å; V32-F36 HydrophobicContact CB-CD2 3.63Å; V32-F36 HydrophobicContact CB-CE2 4.07Å; V32-F36 HydrophobicContact CB-CG 3.85Å; V32-F36 HydrophobicContact CG1-CD2 3.66Å; V32-F36 HydrophobicContact CG1-CE2 3.58Å; V32-F36 HydrophobicContact CG1-CG 4.31Å; V32-F36 HydrophobicContact CG1-CZ 4.16Å; V32-F36 HydrophobicContact CG2-CB 4.47Å; V32-F36 HydrophobicContact CG2-CD2 4.22Å; V32-F36 PolarHBondContact O-N 3.28Å |
| 33 | K | 95.8 | Very high | 96 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 131.3 | -179.5 | -167.9 | 172.7 | -176 | 177.5 | 0 | 110.8 | P29 R35 | P29-K33 PolarHBondContact O-N 2.82Å; K33-R35 PolarHBondContact O-N 2.78Å |
| 34 | G | 96.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 79% | 0.794 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V32 | V32-G34 PolarHBondContact O-N 3.36Š|
| 35 | R | 97.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -40.1 | 176.4 | -60 | -169 | -56.4 | 113.3 | -1.4 | 111.7 | S31 V32 K33 S52 S53 D58 | S31-R35 PolarHBondContact O-NH2 3.17Å; V32-R35 PolarHBondContact O-N 2.8Å; K33-R35 PolarHBondContact O-N 2.78Å; R35-S52 WeakPolarHBondContact CB-O 3.19Å; R35-S52 WeakPolarHBondContact O-CB 3.4Å; R35-S52 PolarHBondContact O-N 3.17Å; R35-S52 PolarHBondContact O-OG 3.35Å; R35-S53 PolarHBondContact NH1-O 2.92Å; R35-D58 IonicContact CZ-OD1 3.76Å; R35-D58 IonicContact CZ-OD2 3.43Å; R35-D58 IonicContact NH1-OD1 3.71Å; R35-D58 IonicContact NH1-OD2 2.67Å; R35-D58 PolarHBondContact NH1-OD2 3.03Å; R35-D58 IonicContact NH2-OD1 3.31Å; R35-D58 PolarHBondContact NH2-OD1 2.84Å; R35-D58 IonicContact NH2-OD2 2.91Å; R35-D58 PolarHBondContact NH2-OD2 3.13Å |
| 36 | F | 97.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.9 | -177.7 | -64.1 | 5.1 | 0 | 0 | 0 | 110.5 | V17 Y28 V32 L49 Q50 M51 L54 D58 Y62 | V17-F36 HydrophobicContact CG1-CD2 3.58Å; V17-F36 HydrophobicContact CG1-CE2 3.98Å; Y28-F36 WeakPolarHBondContact CE1-O 3Å; V32-F36 HydrophobicContact CB-CB 4.17Å; V32-F36 HydrophobicContact CB-CD1 4.48Å; V32-F36 HydrophobicContact CB-CD2 3.63Å; V32-F36 HydrophobicContact CB-CE2 4.07Å; V32-F36 HydrophobicContact CB-CG 3.85Å; V32-F36 HydrophobicContact CG1-CD2 3.66Å; V32-F36 HydrophobicContact CG1-CE2 3.58Å; V32-F36 HydrophobicContact CG1-CG 4.31Å; V32-F36 HydrophobicContact CG1-CZ 4.16Å; V32-F36 HydrophobicContact CG2-CB 4.47Å; V32-F36 HydrophobicContact CG2-CD2 4.22Å; V32-F36 PolarHBondContact O-N 3.28Å; F36-L49 HydrophobicContact CB-CD1 4.27Å; F36-L49 HydrophobicContact CD2-CD2 4.38Å; F36-Q50 CarbonylContact C-O 3.53Å; F36-Q50 VanDerWaalsContact CA-O 3.3Å; F36-Q50 WeakPolarHBondContact CA-O 3.28Å; F36-M51 HydrophobicContact CD1-CB 3.84Å; F36-M51 HydrophobicContact CD1-CG 3.93Å; F36-M51 HydrophobicContact CD2-CG 3.94Å; F36-M51 HydrophobicContact CE1-CB 3.77Å; F36-M51 HydrophobicContact CE1-CG 3.97Å; F36-M51 HydrophobicContact CE2-CG 3.95Å; F36-M51 HydrophobicContact CE2-SD 4.1Å; F36-M51 HydrophobicContact CG-CB 4.37Å; F36-M51 HydrophobicContact CG-CG 3.96Å; F36-M51 HydrophobicContact CZ-CB 4.19Å; F36-M51 HydrophobicContact CZ-CG 3.97Å; F36-M51 HydrophobicContact CZ-SD 4.2Å; F36-L54 HydrophobicContact CE1-CD2 3.87Å; F36-L54 HydrophobicContact CZ-CD2 3.84Å; F36-D58 HydrophobicContact CZ-CB 4.24Å; F36-Y62 HydrophobicContact CE2-CE1 4.36Å |
| 37 | T | 98.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 122 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | Y28 Q50 | Y28-T37 WeakPolarHBondContact OH-CA 3.21Å; T37-Q50 PolarHBondContact N-O 2.93Å; T37-Q50 PolarHBondContact O-N 2.79Å |
| 38 | I | 98.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.7 | 173.8 | -165.3 | 172.4 | 0 | 0 | 0 | 109.4 | A18 I20 T26 Y28 L47 Y48 L49 | A18-I38 HydrophobicContact CB-CB 3.79Å; A18-I38 HydrophobicContact CB-CD1 3.88Å; A18-I38 HydrophobicContact CB-CG1 4.36Å; A18-I38 HydrophobicContact CB-CG2 4Å; I20-I38 HydrophobicContact CB-CD1 4.12Å; I20-I38 HydrophobicContact CB-CG1 4.33Å; I20-I38 HydrophobicContact CB-CG2 3.99Å; I20-I38 HydrophobicContact CG2-CD1 3.79Å; I20-I38 HydrophobicContact CG2-CG1 4.02Å; T26-I38 HydrophobicContact CG2-CG2 3.76Å; Y28-I38 HydrophobicContact CE1-CB 4.27Å; Y28-I38 HydrophobicContact CE1-CG2 3.93Å; Y28-I38 WeakPolarHBondContact OH-CG2 3.36Å; Y28-I38 PolarHBondContact OH-N 3.07Å; I38-L47 HydrophobicContact CD1-CD1 3.89Å; I38-L47 HydrophobicContact CD1-CD2 4.29Å; I38-L47 HydrophobicContact CD1-CG 4.35Å; I38-L47 HydrophobicContact CG1-CD1 3.91Å; I38-L47 HydrophobicContact CG1-CG 4.4Å; I38-Y48 WeakPolarHBondContact CA-O 3.27Å; I38-Y48 WeakPolarHBondContact CG1-O 3.39Å; I38-L49 HydrophobicContact CB-CD1 4.4Å |
| 39 | S | 97.5 | Very high | 95.7 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 161 | 170.9 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | Y48 | S39-Y48 PolarHBondContact N-O 2.92Å; S39-Y48 VanDerWaalsContact N-O 3.07Å; S39-Y48 PolarHBondContact O-N 2.83Å |
| 40 | R | 95.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 140.2 | -177.9 | -178.4 | 176.5 | -170.8 | -151.2 | -0.5 | 110.7 | M3 I20 N42 I46 L47 | M3-R40 PolarHBondContact SD-NE 3.13Å; I20-R40 HydrophobicContact CD1-CB 4.28Å; I20-R40 HydrophobicContact CG2-CB 4.1Å; R40-N42 WeakPolarHBondContact CD-OD1 3.48Å; R40-N42 PolarHBondContact NE-OD1 2.68Å; R40-N42 VanDerWaalsContact NE-OD1 3.14Å; R40-N42 PolarHBondContact NH1-OD1 3.28Å; R40-N42 VanDerWaalsContact NH1-OD1 3.08Å; R40-I46 WeakPolarHBondContact CA-O 3.45Å; R40-L47 HydrophobicContact CB-CD1 4.14Å |
| 41 | D | 95.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 105 | 164.5 | -175.8 | -23.9 | 0 | 0 | 0 | 108.9 | A43 R44 N45 I46 Y48 | D41-A43 PolarHBondContact OD1-N 2.87Å; D41-R44 HydrophobicContact CB-CB 4.36Å; D41-R44 PolarHBondContact OD1-N 2.87Å; D41-R44 VanDerWaalsContact OD2-CD 3.27Å; D41-R44 WeakPolarHBondContact OD2-CD 3.4Å; D41-R44 WeakPolarHBondContact OD2-CG 3.47Å; D41-R44 IonicContact OD2-CZ 2.89Å; D41-R44 IonicContact OD2-NE 2.68Å; D41-R44 IonicContact OD2-NH1 3.62Å; D41-R44 PolarHBondContact OD2-NH1 2.65Å; D41-N45 WeakPolarHBondContact O-CA 3.42Å; D41-N45 PolarHBondContact O-N 2.86Å; D41-I46 PolarHBondContact N-O 2.76Å; D41-I46 PolarHBondContact O-N 2.84Å; D41-Y48 HydrophobicContact CB-CE2 4.1Å |
| 42 | N | 91.6 | Very high | 96 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.3 | -179.1 | -72.1 | -28.5 | 0 | 0 | 0 | 112.5 | R40 R44 | R40-N42 WeakPolarHBondContact CD-OD1 3.48Å; R40-N42 PolarHBondContact NE-OD1 2.68Å; R40-N42 VanDerWaalsContact NE-OD1 3.14Å; R40-N42 PolarHBondContact NH1-OD1 3.28Å; R40-N42 VanDerWaalsContact NH1-OD1 3.08Å; N42-R44 VanDerWaalsContact C-N 3.34Å |
| 43 | A | 93.1 | Very high | 95.9 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 77% | 0.769 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -35.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D41 | D41-A43 PolarHBondContact OD1-N 2.87Š|
| 44 | R | 93.3 | Very high | 95.9 | Very high | 178 Ų | 178 | 67.5 Ų | 67.5 | 67% | 0.672 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.3 | 178.7 | -58.8 | -175 | 178.9 | 96.2 | -2.8 | 113.9 | D41 N42 I46 | D41-R44 HydrophobicContact CB-CB 4.36Å; D41-R44 PolarHBondContact OD1-N 2.87Å; D41-R44 VanDerWaalsContact OD2-CD 3.27Å; D41-R44 WeakPolarHBondContact OD2-CD 3.4Å; D41-R44 WeakPolarHBondContact OD2-CG 3.47Å; D41-R44 IonicContact OD2-CZ 2.89Å; D41-R44 IonicContact OD2-NE 2.68Å; D41-R44 IonicContact OD2-NH1 3.62Å; D41-R44 PolarHBondContact OD2-NH1 2.65Å; N42-R44 VanDerWaalsContact C-N 3.34Å; R44-I46 HydrophobicContact CB-CD1 3.76Å; R44-I46 HydrophobicContact CB-CG1 3.81Å; R44-I46 WeakPolarHBondContact O-CG1 3.38Å; R44-I46 PolarHBondContact O-N 2.89Å |
| 45 | N | 89.2 | Confident | 95.9 | Very high | 112 Ų | 112 | 70.6 Ų | 70.6 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.6 | -172.1 | -67.5 | -58.5 | 0 | 0 | 0 | 113.7 | D41 | D41-N45 WeakPolarHBondContact O-CA 3.42Å; D41-N45 PolarHBondContact O-N 2.86Å |
| 46 | I | 94.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.4 | -178.8 | -54.5 | 175.4 | 0 | 0 | 0 | 110 | R40 D41 R44 Y48 | R40-I46 WeakPolarHBondContact CA-O 3.45Å; D41-I46 PolarHBondContact N-O 2.76Å; D41-I46 PolarHBondContact O-N 2.84Å; R44-I46 HydrophobicContact CB-CD1 3.76Å; R44-I46 HydrophobicContact CB-CG1 3.81Å; R44-I46 WeakPolarHBondContact O-CG1 3.38Å; R44-I46 PolarHBondContact O-N 2.89Å; I46-Y48 HydrophobicContact CB-CE2 3.91Å; I46-Y48 HydrophobicContact CG2-CD1 4.1Å; I46-Y48 HydrophobicContact CG2-CD2 4.18Å; I46-Y48 HydrophobicContact CG2-CE1 3.53Å; I46-Y48 HydrophobicContact CG2-CE2 3.62Å; I46-Y48 HydrophobicContact CG2-CG 4.41Å; I46-Y48 WeakPolarHBondContact CG2-OH 3.35Å |
| 47 | L | 96.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 78.2 Ų | 78.2 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.6 | 172.6 | -172.3 | 72.3 | 0 | 0 | 0 | 109.3 | M3 W5 I20 I38 R40 C64 | M3-L47 HydrophobicContact CB-CD1 3.96Å; M3-L47 HydrophobicContact CB-CD2 3.8Å; M3-L47 HydrophobicContact CB-CG 4.38Å; M3-L47 HydrophobicContact CE-CB 3.87Å; M3-L47 HydrophobicContact CE-CD2 4.44Å; M3-L47 HydrophobicContact SD-CB 4.39Å; W5-L47 HydrophobicContact CG-CD2 4.32Å; W5-L47 VanDerWaalsContact NE1-CD2 3.33Å; I20-L47 HydrophobicContact CG2-CD1 3.47Å; I20-L47 VanDerWaalsContact CG2-CD1 3.47Å; I38-L47 HydrophobicContact CD1-CD1 3.89Å; I38-L47 HydrophobicContact CD1-CD2 4.29Å; I38-L47 HydrophobicContact CD1-CG 4.35Å; I38-L47 HydrophobicContact CG1-CD1 3.91Å; I38-L47 HydrophobicContact CG1-CG 4.4Å; R40-L47 HydrophobicContact CB-CD1 4.14Å; L47-C64 HydrophobicContact CD2-CB 4.31Å |
| 48 | Y | 97.7 | Very high | 95.4 | Very high | 104 Ų | 104 | 74.9 Ų | 74.9 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146.6 | 179.4 | -56.1 | -83.1 | 0 | 0 | 0 | 110.5 | I38 S39 D41 I46 | I38-Y48 WeakPolarHBondContact CA-O 3.27Å; I38-Y48 WeakPolarHBondContact CG1-O 3.39Å; S39-Y48 PolarHBondContact N-O 2.92Å; S39-Y48 VanDerWaalsContact N-O 3.07Å; S39-Y48 PolarHBondContact O-N 2.83Å; D41-Y48 HydrophobicContact CB-CE2 4.1Å; I46-Y48 HydrophobicContact CB-CE2 3.91Å; I46-Y48 HydrophobicContact CG2-CD1 4.1Å; I46-Y48 HydrophobicContact CG2-CD2 4.18Å; I46-Y48 HydrophobicContact CG2-CE1 3.53Å; I46-Y48 HydrophobicContact CG2-CE2 3.62Å; I46-Y48 HydrophobicContact CG2-CG 4.41Å; I46-Y48 WeakPolarHBondContact CG2-OH 3.35Å |
| 49 | L | 98.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 76.3 Ų | 76.3 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 107.4 | 168.9 | -173.3 | 69 | 0 | 0 | 0 | 108.1 | W5 V17 A18 F36 I38 M51 Y62 | W5-L49 HydrophobicContact CB-CD2 4.11Å; W5-L49 HydrophobicContact CD2-CB 4.1Å; W5-L49 HydrophobicContact CD2-CD2 4.22Å; W5-L49 HydrophobicContact CG-CB 4.04Å; W5-L49 HydrophobicContact CG-CD1 4.38Å; W5-L49 HydrophobicContact CG-CD2 3.96Å; W5-L49 HydrophobicContact CG-CG 4.36Å; W5-L49 HydrophobicContact CZ2-CB 4.43Å; V17-L49 HydrophobicContact CG1-CD1 4.35Å; V17-L49 HydrophobicContact CG1-CD2 3.85Å; A18-L49 HydrophobicContact CB-CD1 4.18Å; F36-L49 HydrophobicContact CB-CD1 4.27Å; F36-L49 HydrophobicContact CD2-CD2 4.38Å; I38-L49 HydrophobicContact CB-CD1 4.4Å; L49-M51 HydrophobicContact CD2-CG 3.93Å; L49-M51 HydrophobicContact CD2-SD 3.88Å; L49-M51 HydrophobicContact CG-CG 3.9Å; L49-M51 HydrophobicContact CG-SD 4.45Å; L49-Y62 HydrophobicContact CD2-CD1 4.21Å; L49-Y62 HydrophobicContact CD2-CE1 4.42Å |
| 50 | Q | 98.2 | Very high | 95.4 | Very high | 137 Ų | 137 | 73.9 Ų | 73.9 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.6 | 170 | -178 | 173.1 | -16.7 | 0 | 0 | 108.4 | F36 T37 | F36-Q50 CarbonylContact C-O 3.53Å; F36-Q50 VanDerWaalsContact CA-O 3.3Å; F36-Q50 WeakPolarHBondContact CA-O 3.28Å; T37-Q50 PolarHBondContact N-O 2.93Å; T37-Q50 PolarHBondContact O-N 2.79Å |
| 51 | M | 97.4 | Very high | 95.5 | Very high | 63 Ų | 63 | 74.3 Ų | 74.3 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.4 | -179.7 | -62.5 | 175.2 | -77 | 0 | 0 | 108.7 | F36 L49 L54 Y62 L78 | F36-M51 HydrophobicContact CD1-CB 3.84Å; F36-M51 HydrophobicContact CD1-CG 3.93Å; F36-M51 HydrophobicContact CD2-CG 3.94Å; F36-M51 HydrophobicContact CE1-CB 3.77Å; F36-M51 HydrophobicContact CE1-CG 3.97Å; F36-M51 HydrophobicContact CE2-CG 3.95Å; F36-M51 HydrophobicContact CE2-SD 4.1Å; F36-M51 HydrophobicContact CG-CB 4.37Å; F36-M51 HydrophobicContact CG-CG 3.96Å; F36-M51 HydrophobicContact CZ-CB 4.19Å; F36-M51 HydrophobicContact CZ-CG 3.97Å; F36-M51 HydrophobicContact CZ-SD 4.2Å; L49-M51 HydrophobicContact CD2-CG 3.93Å; L49-M51 HydrophobicContact CD2-SD 3.88Å; L49-M51 HydrophobicContact CG-CG 3.9Å; L49-M51 HydrophobicContact CG-SD 4.45Å; M51-L54 HydrophobicContact CB-CD2 3.9Å; M51-L54 HydrophobicContact CB-CG 4.26Å; M51-L54 HydrophobicContact SD-CD2 4.39Å; M51-Y62 HydrophobicContact SD-CE1 4.18Å; M51-L78 HydrophobicContact CE-CD2 3.87Å; M51-L78 HydrophobicContact SD-CD2 3.68Å |
| 52 | S | 96.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 72.9 Ų | 72.9 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | trans | -116.3 | 157.4 | 175.1 | 71.5 | 0 | 0 | 0 | 0 | 110.5 | R35 L54 | R35-S52 WeakPolarHBondContact CB-O 3.19Å; R35-S52 WeakPolarHBondContact O-CB 3.4Å; R35-S52 PolarHBondContact O-N 3.17Å; R35-S52 PolarHBondContact O-OG 3.35Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 2.91Å | ||
| 53 | S | 95.1 | Very high | 96 | Very high | 92 Ų | 92 | 70.8 Ų | 70.8 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 49.3 | 50.8 | -179 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | R35 | R35-S53 PolarHBondContact NH1-O 2.92Š|
| 54 | L | 96.2 | Very high | 96.1 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | trans | -60.7 | 143.6 | 176.7 | -77.5 | 171.7 | 0 | 0 | 0 | 110.9 | F36 M51 S52 D58 L78 V80 | F36-L54 HydrophobicContact CE1-CD2 3.87Å; F36-L54 HydrophobicContact CZ-CD2 3.84Å; M51-L54 HydrophobicContact CB-CD2 3.9Å; M51-L54 HydrophobicContact CB-CG 4.26Å; M51-L54 HydrophobicContact SD-CD2 4.39Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 2.91Å; L54-D58 HydrophobicContact CD2-CB 3.87Å; L54-L78 HydrophobicContact CD1-CD1 4.42Å; L54-L78 HydrophobicContact CD1-CD2 4.23Å; L54-L78 HydrophobicContact CD2-CD2 3.8Å; L54-V80 HydrophobicContact CB-CG1 4.28Å; L54-V80 HydrophobicContact CB-CG2 4.04Å; L54-V80 HydrophobicContact CD1-CG2 4.18Å; L54-V80 HydrophobicContact CD2-CG2 4.36Å; L54-V80 HydrophobicContact CG-CG2 4.44Å | ||
| 55 | R | 95.4 | Very high | 96.2 | Very high | 141 Ų | 141 | 60 Ų | 60 | 53% | 0.532 | 31% | 0.31 | S | S | . | . | trans | -123.7 | 164.6 | 176.5 | -54.5 | 177.9 | -179.2 | 171.7 | -1 | 110 | E57 D58 V80 | R55-E57 WeakPolarHBondContact CB-OE2 3.33Å; R55-E57 PolarHBondContact O-N 2.99Å; R55-D58 PolarHBondContact N-OD2 2.94Å; R55-D58 WeakPolarHBondContact O-CB 3.49Å; R55-D58 PolarHBondContact O-N 3.02Å; R55-V80 WeakPolarHBondContact O-CB 3.28Å | ||
| 56 | S | 94.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -51.6 | -38.5 | 174.6 | 28.3 | 0 | 0 | 0 | 0 | 112.5 | D58 T59 | S56-D58 PolarHBondContact O-N 2.97Å; S56-T59 VanDerWaalsContact O-CB 3.31Å; S56-T59 WeakPolarHBondContact O-CB 3.37Å; S56-T59 PolarHBondContact O-N 3.24Å; S56-T59 VanDerWaalsContact O-N 3.12Å; S56-T59 PolarHBondContact O-OG1 3.14Å; S56-T59 VanDerWaalsContact O-OG1 3.09Å |
| 57 | E | 93.6 | Very high | 95.9 | Very high | 121 Ų | 121 | 59 Ų | 59 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -68.7 | -12 | -179.8 | -52 | 75 | -125.5 | 0 | 0 | 113.6 | R55 T59 | R55-E57 WeakPolarHBondContact CB-OE2 3.33Å; R55-E57 PolarHBondContact O-N 2.99Å; E57-T59 VanDerWaalsContact C-N 3.3Å |
| 58 | D | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.011 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -85.2 | -4.2 | 174.8 | -60.7 | -50.6 | 0 | 0 | 0 | 113 | R7 R35 F36 L54 R55 S56 A60 Y62 | R7-D58 IonicContact NH1-OD1 3.83Å; R7-D58 PolarHBondContact NH1-OD1 3.04Å; R35-D58 IonicContact CZ-OD1 3.76Å; R35-D58 IonicContact CZ-OD2 3.43Å; R35-D58 IonicContact NH1-OD1 3.71Å; R35-D58 IonicContact NH1-OD2 2.67Å; R35-D58 PolarHBondContact NH1-OD2 3.03Å; R35-D58 IonicContact NH2-OD1 3.31Å; R35-D58 PolarHBondContact NH2-OD1 2.84Å; R35-D58 IonicContact NH2-OD2 2.91Å; R35-D58 PolarHBondContact NH2-OD2 3.13Å; F36-D58 HydrophobicContact CZ-CB 4.24Å; L54-D58 HydrophobicContact CD2-CB 3.87Å; R55-D58 PolarHBondContact N-OD2 2.94Å; R55-D58 WeakPolarHBondContact O-CB 3.49Å; R55-D58 PolarHBondContact O-N 3.02Å; S56-D58 PolarHBondContact O-N 2.97Å; D58-A60 PolarHBondContact O-N 2.82Å; D58-Y62 VanDerWaalsContact O-CE2 3.32Å; D58-Y62 WeakPolarHBondContact O-CE2 3.25Å; D58-Y62 PolarHBondContact O-OH 2.82Å |
| 59 | T | 97.1 | Very high | 94.6 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | trans | -61.8 | 114.8 | 173.3 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | P10 S56 E57 L78 T79 V80 | P10-T59 WeakPolarHBondContact CD-O 3.32Å; S56-T59 VanDerWaalsContact O-CB 3.31Å; S56-T59 WeakPolarHBondContact O-CB 3.37Å; S56-T59 PolarHBondContact O-N 3.24Å; S56-T59 VanDerWaalsContact O-N 3.12Å; S56-T59 PolarHBondContact O-OG1 3.14Å; S56-T59 VanDerWaalsContact O-OG1 3.09Å; E57-T59 VanDerWaalsContact C-N 3.3Å; T59-L78 WeakPolarHBondContact CA-O 3.21Å; T59-T79 HydrophobicContact CG2-CG2 4.31Å; T59-V80 PolarHBondContact OG1-N 3.37Å; T59-V80 PolarHBondContact OG1-O 2.9Å | ||
| 60 | A | 97.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 5% | 0.05 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 169.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111 | R7 Q8 D58 Y62 L78 | R7-A60 HydrophobicContact CB-CB 3.86Å; R7-A60 HydrophobicContact CG-CB 4.19Å; Q8-A60 WeakPolarHBondContact O-CA 3.36Å; Q8-A60 VanDerWaalsContact O-CB 3.28Å; Q8-A60 WeakPolarHBondContact O-CB 3.14Å; D58-A60 PolarHBondContact O-N 2.82Å; A60-Y62 HydrophobicContact CB-CD2 4.25Å; A60-Y62 HydrophobicContact CB-CE2 3.72Å; A60-Y62 WeakPolarHBondContact O-CD2 3.32Å; A60-L78 PolarHBondContact N-O 3.36Å; A60-L78 PolarHBondContact O-N 3.26Å |
| 61 | M | 98.3 | Very high | 93.9 | Very high | 58 Ų | 58 | 71.1 Ų | 71.1 | 29% | 0.286 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124 | 164.1 | -175.4 | 69.6 | 73.3 | 0 | 0 | 109.2 | R7 Q8 Y63 T76 T77 | R7-M61 CarbonylContact C-O 3.59Å; R7-M61 WeakPolarHBondContact CA-O 3.48Å; Q8-M61 HydrophobicContact CB-CB 4.48Å; Q8-M61 PolarHBondContact N-O 2.83Å; Q8-M61 PolarHBondContact O-N 3.27Å; M61-Y63 HydrophobicContact CB-CE2 3.89Å; M61-Y63 HydrophobicContact CG-CD2 4.32Å; M61-Y63 HydrophobicContact CG-CE1 3.93Å; M61-Y63 HydrophobicContact CG-CE2 3.48Å; M61-Y63 VanDerWaalsContact CG-CE2 3.48Å; M61-Y63 WeakPolarHBondContact CG-OH 3.35Å; M61-Y63 WeakPolarHBondContact O-CE2 3.26Å; M61-T76 PolarHBondContact SD-N 3.03Å; M61-T76 VanDerWaalsContact SD-N 3.36Å; M61-T77 WeakPolarHBondContact CE-OG1 3.38Å; M61-T77 PolarHBondContact SD-N 2.99Å; M61-T77 VanDerWaalsContact SD-N 3.36Å |
| 62 | Y | 98.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.4 | -177.2 | -73.3 | -103.2 | 0 | 0 | 0 | 111 | V6 R7 V17 F36 L49 M51 D58 A60 G75 T76 L78 | V6-Y62 CarbonylContact O-C 3.42Å; V6-Y62 WeakPolarHBondContact O-CA 3.4Å; R7-Y62 HydrophobicContact CB-CD1 3.82Å; R7-Y62 HydrophobicContact CB-CD2 4.37Å; R7-Y62 HydrophobicContact CB-CE1 3.76Å; R7-Y62 HydrophobicContact CB-CE2 4.3Å; R7-Y62 HydrophobicContact CB-CG 4.13Å; R7-Y62 WeakPolarHBondContact CD-OH 3.27Å; R7-Y62 HydrophobicContact CG-CE1 4.39Å; R7-Y62 PolarHBondContact NH1-OH 3.38Å; V17-Y62 HydrophobicContact CG1-CE1 4.29Å; V17-Y62 HydrophobicContact CG2-CD1 4.22Å; V17-Y62 HydrophobicContact CG2-CE1 3.94Å; F36-Y62 HydrophobicContact CE2-CE1 4.36Å; L49-Y62 HydrophobicContact CD2-CD1 4.21Å; L49-Y62 HydrophobicContact CD2-CE1 4.42Å; M51-Y62 HydrophobicContact SD-CE1 4.18Å; D58-Y62 VanDerWaalsContact O-CE2 3.32Å; D58-Y62 WeakPolarHBondContact O-CE2 3.25Å; D58-Y62 PolarHBondContact O-OH 2.82Å; A60-Y62 HydrophobicContact CB-CD2 4.25Å; A60-Y62 HydrophobicContact CB-CE2 3.72Å; A60-Y62 WeakPolarHBondContact O-CD2 3.32Å; Y62-G75 CarbonylContact O-C 3.45Å; Y62-G75 WeakPolarHBondContact O-CA 3.35Å; Y62-T76 PolarHBondContact N-O 3.06Å; Y62-T76 PolarHBondContact O-N 3.48Å; Y62-L78 HydrophobicContact CD2-CB 3.81Å; Y62-L78 HydrophobicContact CD2-CD2 4.46Å; Y62-L78 HydrophobicContact CE2-CB 3.72Å; Y62-L78 HydrophobicContact CE2-CD2 3.81Å; Y62-L78 HydrophobicContact CE2-CG 4.38Å |
| 63 | Y | 98.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.1 | -178.6 | -54.5 | -92 | 0 | 0 | 0 | 109.9 | W5 V6 Q8 M61 W72 G73 | W5-Y63 WeakPolarHBondContact CA-O 3.22Å; W5-Y63 VanDerWaalsContact CE3-O 3.28Å; V6-Y63 PolarHBondContact N-O 2.73Å; V6-Y63 PolarHBondContact O-N 2.82Å; Q8-Y63 HydrophobicContact CB-CE2 3.84Å; M61-Y63 HydrophobicContact CB-CE2 3.89Å; M61-Y63 HydrophobicContact CG-CD2 4.32Å; M61-Y63 HydrophobicContact CG-CE1 3.93Å; M61-Y63 HydrophobicContact CG-CE2 3.48Å; M61-Y63 VanDerWaalsContact CG-CE2 3.48Å; M61-Y63 WeakPolarHBondContact CG-OH 3.35Å; M61-Y63 WeakPolarHBondContact O-CE2 3.26Å; Y63-W72 HydrophobicContact CG-CE3 4.09Å; Y63-W72 HydrophobicContact CG-CZ3 4.31Å; Y63-G73 WeakPolarHBondContact CD1-O 3.34Å |
| 64 | C | 96.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 76.5 Ų | 76.5 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 141.8 | 161.5 | 65.3 | 0 | 0 | 0 | 0 | 109.1 | S4 W5 L47 G73 | S4-C64 CarbonylContact O-C 3.55Å; S4-C64 WeakPolarHBondContact O-CA 2.94Å; W5-C64 HydrophobicContact CD2-CB 4.31Å; W5-C64 HydrophobicContact CE3-CB 4.21Å; W5-C64 HydrophobicContact CH2-CB 3.99Å; W5-C64 HydrophobicContact CZ2-CB 4.08Å; W5-C64 HydrophobicContact CZ3-CB 4.05Å; L47-C64 HydrophobicContact CD2-CB 4.31Å; C64-G73 PolarHBondContact O-N 3.01Å |
| 65 | A | 95.8 | Very high | 94 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M3 S4 F69 Y71 W72 | M3-A65 CarbonylContact C-O 3.54Å; M3-A65 WeakPolarHBondContact CA-O 3.45Å; S4-A65 PolarHBondContact N-O 2.62Å; S4-A65 PolarHBondContact O-N 3.17Å; A65-F69 HydrophobicContact CB-CD1 3.52Å; A65-F69 HydrophobicContact CB-CE1 3.96Å; A65-Y71 VanDerWaalsContact CA-O 3.22Å; A65-Y71 WeakPolarHBondContact CA-O 3.01Å; A65-W72 HydrophobicContact CB-CD2 4.07Å; A65-W72 HydrophobicContact CB-CE3 4.19Å; A65-W72 HydrophobicContact CB-CZ3 4.48Å |
| 66 | R | 92.7 | Very high | 94.1 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 169.5 | -178 | 79.3 | -162.9 | -161.5 | 123.6 | -6.3 | 111.1 | Y1 M3 F69 D70 Y71 | Y1-R66 HydrophobicContact CE2-CB 3.92Å; Y1-R66 HydrophobicContact CE2-CG 4.25Å; Y1-R66 WeakPolarHBondContact OH-CB 3.13Å; Y1-R66 WeakPolarHBondContact OH-CD 3.34Å; Y1-R66 WeakPolarHBondContact OH-CG 3.39Å; Y1-R66 PolarHBondContact OH-NE 3.26Å; Y1-R66 PolarHBondContact OH-NH1 2.92Å; M3-R66 HydrophobicContact CB-CB 4.49Å; M3-R66 HydrophobicContact CE-CB 4.49Å; M3-R66 HydrophobicContact CG-CB 3.97Å; R66-F69 PolarHBondContact O-N 3.18Å; R66-D70 PolarHBondContact O-N 3.42Å; R66-Y71 HydrophobicContact CG-CD2 3.99Å; R66-Y71 HydrophobicContact CG-CG 4.43Å; R66-Y71 PolarHBondContact N-O 2.96Å; R66-Y71 PolarHBondContact O-N 2.9Å |
| 67 | D | 83 | Confident | 94.2 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 64.7 | -178.2 | -67.7 | -57.1 | 0 | 0 | 0 | 111.4 | Y1 F69 D70 Y71 | Y1-D67 WeakPolarHBondContact CD2-OD1 3.47Å; Y1-D67 HydrophobicContact CE2-CB 4.15Å; Y1-D67 VanDerWaalsContact CE2-N 3.34Å; Y1-D67 WeakPolarHBondContact CE2-OD1 3.46Å; Y1-D67 WeakPolarHBondContact CE2-OD2 3.44Å; Y1-D67 PolarHBondContact OH-OD2 3.09Å; D67-F69 PolarHBondContact O-N 3.27Å; D67-D70 HydrophobicContact CB-CB 4.35Å; D67-D70 VanDerWaalsContact O-CB 3.28Å; D67-D70 WeakPolarHBondContact O-CB 2.99Å; D67-D70 PolarHBondContact O-N 2.9Å; D67-Y71 HydrophobicContact CB-CD2 3.82Å; D67-Y71 HydrophobicContact CB-CE2 3.9Å; D67-Y71 WeakPolarHBondContact OD2-CD2 3.1Å; D67-Y71 WeakPolarHBondContact OD2-CE2 3.36Å |
| 68 | Y | 80.9 | Confident | 94.4 | Very high | 221 Ų | 221 | 69.2 Ų | 69.2 | 87% | 0.867 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 29.4 | -179.3 | -66.1 | -82 | 0 | 0 | 0 | 115.5 | ||
| 69 | F | 85.9 | Confident | 94.4 | Very high | 64 Ų | 64 | 74.1 Ų | 74.1 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 20.6 | -176.4 | -50.7 | -76.7 | 0 | 0 | 0 | 115.4 | V6 W16 A65 R66 D67 Y71 W72 | V6-F69 HydrophobicContact CG2-CD1 4.28Å; V6-F69 HydrophobicContact CG2-CE1 3.51Å; V6-F69 HydrophobicContact CG2-CZ 4.31Å; W16-F69 AromaticContact CD2-CZ 3.98Å; W16-F69 HydrophobicContact CD2-CZ 3.98Å; W16-F69 AromaticContact CE2-CZ 3.85Å; W16-F69 HydrophobicContact CE3-CE2 4.11Å; W16-F69 AromaticContact CE3-CZ 3.62Å; W16-F69 HydrophobicContact CE3-CZ 3.62Å; W16-F69 HydrophobicContact CH2-CE1 4.37Å; W16-F69 AromaticContact CH2-CE2 3.24Å; W16-F69 HydrophobicContact CH2-CE2 3.24Å; W16-F69 AromaticContact CH2-CZ 3.1Å; W16-F69 HydrophobicContact CH2-CZ 3.1Å; W16-F69 HydrophobicContact CZ2-CE1 4.42Å; W16-F69 HydrophobicContact CZ2-CE2 4.04Å; W16-F69 AromaticContact CZ2-CZ 3.44Å; W16-F69 HydrophobicContact CZ2-CZ 3.44Å; W16-F69 VanDerWaalsContact CZ2-CZ 3.44Å; W16-F69 HydrophobicContact CZ3-CE1 4.49Å; W16-F69 AromaticContact CZ3-CE2 3.27Å; W16-F69 HydrophobicContact CZ3-CE2 3.27Å; W16-F69 AromaticContact CZ3-CZ 3.18Å; W16-F69 HydrophobicContact CZ3-CZ 3.18Å; A65-F69 HydrophobicContact CB-CD1 3.52Å; A65-F69 HydrophobicContact CB-CE1 3.96Å; R66-F69 PolarHBondContact O-N 3.18Å; D67-F69 PolarHBondContact O-N 3.27Å; F69-Y71 VanDerWaalsContact C-N 3.32Å; F69-W72 HydrophobicContact CB-CZ2 3.78Å; F69-W72 AromaticContact CD1-CH2 3.96Å; F69-W72 HydrophobicContact CD1-CH2 3.96Å; F69-W72 AromaticContact CD1-CZ2 3.54Å; F69-W72 HydrophobicContact CD1-CZ2 3.54Å; F69-W72 HydrophobicContact CE1-CH2 4.49Å; F69-W72 HydrophobicContact CE1-CZ2 4.46Å; F69-W72 AromaticContact CG-CZ2 3.98Å; F69-W72 HydrophobicContact CG-CZ2 3.98Å; F69-W72 VanDerWaalsContact O-CD1 3.3Å; F69-W72 PolarHBondContact O-NE1 3.08Å |
| 70 | D | 89.9 | Confident | 94.3 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 66% | 0.658 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.8 | 172.4 | -66 | -25.5 | 0 | 0 | 0 | 111.8 | R66 D67 | R66-D70 PolarHBondContact O-N 3.42Å; D67-D70 HydrophobicContact CB-CB 4.35Å; D67-D70 VanDerWaalsContact O-CB 3.28Å; D67-D70 WeakPolarHBondContact O-CB 2.99Å; D67-D70 PolarHBondContact O-N 2.9Å |
| 71 | Y | 92.9 | Very high | 94 | Very high | 130 Ų | 130 | 78.7 Ų | 78.7 | 51% | 0.51 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.6 | 176.5 | -49 | -80.4 | 0 | 0 | 0 | 112 | A65 R66 D67 F69 | A65-Y71 VanDerWaalsContact CA-O 3.22Å; A65-Y71 WeakPolarHBondContact CA-O 3.01Å; R66-Y71 HydrophobicContact CG-CD2 3.99Å; R66-Y71 HydrophobicContact CG-CG 4.43Å; R66-Y71 PolarHBondContact N-O 2.96Å; R66-Y71 PolarHBondContact O-N 2.9Å; D67-Y71 HydrophobicContact CB-CD2 3.82Å; D67-Y71 HydrophobicContact CB-CE2 3.9Å; D67-Y71 WeakPolarHBondContact OD2-CD2 3.1Å; D67-Y71 WeakPolarHBondContact OD2-CE2 3.36Å; F69-Y71 VanDerWaalsContact C-N 3.32Å |
| 72 | W | 96.1 | Very high | 93 | Very high | 106 Ų | 106 | 84.5 Ų | 84.5 | 40% | 0.402 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.3 | 179.8 | -67.4 | 74.2 | 0 | 0 | 0 | 110.8 | V6 Y63 A65 F69 | V6-W72 HydrophobicContact CB-CH2 4.07Å; V6-W72 HydrophobicContact CB-CZ3 3.82Å; V6-W72 HydrophobicContact CG1-CH2 3.95Å; V6-W72 HydrophobicContact CG1-CZ3 3.97Å; V6-W72 HydrophobicContact CG2-CH2 3.96Å; V6-W72 HydrophobicContact CG2-CZ3 4.08Å; Y63-W72 HydrophobicContact CG-CE3 4.09Å; Y63-W72 HydrophobicContact CG-CZ3 4.31Å; A65-W72 HydrophobicContact CB-CD2 4.07Å; A65-W72 HydrophobicContact CB-CE3 4.19Å; A65-W72 HydrophobicContact CB-CZ3 4.48Å; F69-W72 HydrophobicContact CB-CZ2 3.78Å; F69-W72 AromaticContact CD1-CH2 3.96Å; F69-W72 HydrophobicContact CD1-CH2 3.96Å; F69-W72 AromaticContact CD1-CZ2 3.54Å; F69-W72 HydrophobicContact CD1-CZ2 3.54Å; F69-W72 HydrophobicContact CE1-CH2 4.49Å; F69-W72 HydrophobicContact CE1-CZ2 4.46Å; F69-W72 AromaticContact CG-CZ2 3.98Å; F69-W72 HydrophobicContact CG-CZ2 3.98Å; F69-W72 VanDerWaalsContact O-CD1 3.3Å; F69-W72 PolarHBondContact O-NE1 3.08Å |
| 73 | G | 96.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 88.6 Ų | 88.6 | 27% | 0.268 | 47% | 0.472 | S | S | . | . | trans | -69.2 | 163.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y63 C64 G75 | Y63-G73 WeakPolarHBondContact CD1-O 3.34Å; C64-G73 PolarHBondContact O-N 3.01Å; G73-G75 PolarHBondContact O-N 3.47Å; G73-G75 VanDerWaalsContact O-N 3.17Å | ||
| 74 | Q | 97.2 | Very high | 92.5 | Very high | 189 Ų | 189 | 91 Ų | 91 | 88% | 0.883 | 49% | 0.489 | S | S | * | . | trans | -63.9 | -19.2 | 177.3 | -66.5 | -63.7 | -35 | 0 | 0 | 113.4 | ||||
| 75 | G | 96.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 93.7 Ų | 93.7 | 32% | 0.32 | 50% | 0.5 | S | S | . | . | trans | 93.4 | 159.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y62 G73 | Y62-G75 CarbonylContact O-C 3.45Å; Y62-G75 WeakPolarHBondContact O-CA 3.35Å; G73-G75 PolarHBondContact O-N 3.47Å; G73-G75 VanDerWaalsContact O-N 3.17Å | ||
| 76 | T | 97.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 99 Ų | 99 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 133.5 | 172.1 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | M61 Y62 | M61-T76 PolarHBondContact SD-N 3.03Å; M61-T76 VanDerWaalsContact SD-N 3.36Å; Y62-T76 PolarHBondContact N-O 3.06Å; Y62-T76 PolarHBondContact O-N 3.48Å |
| 77 | T | 97.6 | Very high | 92 | Very high | 88 Ų | 88 | 98.5 Ų | 98.5 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.4 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | M61 | M61-T77 WeakPolarHBondContact CE-OG1 3.38Å; M61-T77 PolarHBondContact SD-N 2.99Å; M61-T77 VanDerWaalsContact SD-N 3.36Å |
| 78 | L | 96.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 101.7 Ų | 101.7 | 20% | 0.199 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.3 | 165.8 | 179.2 | 68.3 | 0 | 0 | 0 | 108.7 | M51 L54 T59 A60 Y62 V80 | M51-L78 HydrophobicContact CE-CD2 3.87Å; M51-L78 HydrophobicContact SD-CD2 3.68Å; L54-L78 HydrophobicContact CD1-CD1 4.42Å; L54-L78 HydrophobicContact CD1-CD2 4.23Å; L54-L78 HydrophobicContact CD2-CD2 3.8Å; T59-L78 WeakPolarHBondContact CA-O 3.21Å; A60-L78 PolarHBondContact N-O 3.36Å; A60-L78 PolarHBondContact O-N 3.26Å; Y62-L78 HydrophobicContact CD2-CB 3.81Å; Y62-L78 HydrophobicContact CD2-CD2 4.46Å; Y62-L78 HydrophobicContact CE2-CB 3.72Å; Y62-L78 HydrophobicContact CE2-CD2 3.81Å; Y62-L78 HydrophobicContact CE2-CG 4.38Å; L78-V80 HydrophobicContact CD2-CG2 4.47Å; L78-V80 HydrophobicContact CG-CG2 4.28Å |
| 79 | T | 96.7 | Very high | 93.5 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 64% | 0.638 | 53% | 0.53 | S | S | * | . | trans | -119.2 | 127.9 | 175.2 | -55 | 0 | 0 | 0 | 0 | 109.4 | T59 | T59-T79 HydrophobicContact CG2-CG2 4.31Š| ||
| 80 | V | 95.3 | Very high | 94 | Very high | 31 Ų | 31 | 95.4 Ų | 95.4 | 19% | 0.188 | 55% | 0.55 | C | S | . | . | trans | -120.2 | 113.4 | 177.5 | -173.4 | 0 | 0 | 0 | 0 | 107.4 | L54 R55 T59 L78 | L54-V80 HydrophobicContact CB-CG1 4.28Å; L54-V80 HydrophobicContact CB-CG2 4.04Å; L54-V80 HydrophobicContact CD1-CG2 4.18Å; L54-V80 HydrophobicContact CD2-CG2 4.36Å; L54-V80 HydrophobicContact CG-CG2 4.44Å; R55-V80 WeakPolarHBondContact O-CB 3.28Å; T59-V80 PolarHBondContact OG1-N 3.37Å; T59-V80 PolarHBondContact OG1-O 2.9Å; L78-V80 HydrophobicContact CD2-CG2 4.47Å; L78-V80 HydrophobicContact CG-CG2 4.28Å | ||
| 81 | S | 90.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 93.1 Ų | 93.1 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | -102.1 | 150.4 | 173.2 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 82 | S | 78.8 | Confident | 94.5 | Very high | 180 Ų | 180 | 89.7 Ų | 89.7 | 100% | 1.259 | 54% | 0.543 | S | S | * | . | trans | -74.5 | 0 | 170.2 | -176.8 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 82 of 82 residues in 26 ms
(Link to these results)