| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 87.4 | Confident | 240 Ų | 240 | 94.6 Ų | 94.6 | 100% | 1.182 | 49% | 0.485 | S | S | * | . | 0 | 133.4 | 0 | -68.6 | -157.5 | -76.5 | 0 | 0 | 106.9 | |||||
| 2 | A | 64 | Low | 88.3 | Confident | 71 Ų | 71 | 88.7 Ų | 88.7 | 59% | 0.587 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -60 | 147.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | V4 | A2-V4 PolarHBondContact O-N 2.96Š|
| 3 | A | 76.5 | Confident | 88.9 | Confident | 40 Ų | 40 | 90.2 Ų | 90.2 | 33% | 0.331 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -61 | 135.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q29 E169 P201 | A3-Q29 VanDerWaalsContact O-CG 3.3Å; A3-Q29 WeakPolarHBondContact O-CG 3.46Å; A3-Q29 PolarHBondContact O-NE2 3.33Å; A3-E169 WeakPolarHBondContact CB-OE1 3.43Å; A3-P201 HydrophobicContact CB-CG 4.47Å |
| 4 | V | 89.3 | Confident | 89.6 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 87% | 0.873 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -88 | 119.2 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | A2 | A2-V4 PolarHBondContact O-N 2.96Š|
| 5 | L | 95.5 | Very high | 90.2 | Very high | 24 Ų | 24 | 82.5 Ų | 82.5 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -99 | 133.9 | 176.1 | -63.9 | -171.4 | 0 | 0 | 0 | 110.1 | L19 Q29 P201 | L5-L19 HydrophobicContact CB-CD2 4.36Å; L5-L19 HydrophobicContact CD1-CD1 4.45Å; L5-Q29 HydrophobicContact CB-CB 4.37Å; L5-Q29 HydrophobicContact CD1-CB 3.96Å; L5-Q29 HydrophobicContact CD1-CG 4.24Å; L5-Q29 HydrophobicContact CG-CB 4.17Å; L5-Q29 HydrophobicContact CG-CG 4.08Å; L5-P201 HydrophobicContact CD2-CB 4.11Å |
| 6 | Q | 96.5 | Very high | 90.8 | Very high | 122 Ų | 122 | 77.4 Ų | 77.4 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -68 | 144.3 | 170.6 | -59.8 | -178.8 | 34.8 | 0 | 0 | 109.6 | V8 E9 R17 | Q6-V8 VanDerWaalsContact C-N 3.31Å; Q6-V8 PolarHBondContact O-N 3.12Å; Q6-E9 HydrophobicContact CB-CB 4.2Å; Q6-R17 PolarHBondContact O-NH2 2.74Å; Q6-R17 VanDerWaalsContact O-NH2 3.09Å |
| 7 | R | 97.5 | Very high | 91.2 | Very high | 147 Ų | 147 | 73 Ų | 73 | 56% | 0.555 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -63.6 | -37 | 179.6 | -71.6 | -177.5 | 175 | -175.9 | -3.7 | 112.6 | V18 L19 | R7-V18 CarbonylContact O-C 2.9Å; R7-V18 WeakPolarHBondContact O-CA 3.17Å; R7-L19 PolarHBondContact O-N 3.29Å |
| 8 | V | 98.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.9 | 171.5 | 180 | 0 | 0 | 0 | 0 | 106.4 | Q6 V16 R17 V18 C58 A62 F66 | Q6-V8 VanDerWaalsContact C-N 3.31Å; Q6-V8 PolarHBondContact O-N 3.12Å; V8-V16 HydrophobicContact CG1-CG1 4Å; V8-R17 WeakPolarHBondContact CA-O 3.44Å; V8-V18 HydrophobicContact CG2-CG1 4.46Å; V8-C58 HydrophobicContact CG2-CB 4.1Å; V8-A62 HydrophobicContact CG1-CB 3.81Å; V8-A62 HydrophobicContact CG2-CB 4.25Å; V8-F66 HydrophobicContact CG1-CE2 3.93Å |
| 9 | E | 98.1 | Very high | 92 | Very high | 57 Ų | 57 | 65.9 Ų | 65.9 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 126.1 | -179.2 | -166.3 | 175.7 | -173.7 | 0 | 0 | 110.4 | Q6 L11 V16 R17 | Q6-E9 HydrophobicContact CB-CB 4.2Å; E9-L11 HydrophobicContact CB-CD2 4.27Å; E9-L11 HydrophobicContact CG-CD2 3.89Å; E9-L11 PolarHBondContact O-N 2.96Å; E9-V16 CarbonylContact O-C 3.54Å; E9-V16 WeakPolarHBondContact O-CA 3.47Å; E9-R17 PolarHBondContact N-O 3.05Å; E9-R17 PolarHBondContact O-N 3.18Å; E9-R17 IonicContact OE2-CZ 3.84Å; E9-R17 IonicContact OE2-NH1 3.98Å; E9-R17 PolarHBondContact OE2-NH1 3.43Å; E9-R17 IonicContact OE2-NH2 2.63Å; E9-R17 PolarHBondContact OE2-NH2 3.4Å |
| 10 | R | 98.3 | Very high | 92.3 | Very high | 134 Ų | 134 | 62.6 Ų | 62.6 | 51% | 0.506 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 106 | 168.6 | -174.8 | -179.1 | -171.3 | 175.8 | 5.4 | 109.1 | S12 N13 V16 F66 | R10-S12 WeakPolarHBondContact CG-O 3.08Å; R10-S12 PolarHBondContact NE-O 2.93Å; R10-S12 VanDerWaalsContact NE-O 3.12Å; R10-N13 PolarHBondContact NH2-OD1 3.36Å; R10-V16 HydrophobicContact CB-CG2 4.44Å; R10-V16 HydrophobicContact CG-CG2 4.34Å; R10-F66 HydrophobicContact CB-CE1 4.2Å; R10-F66 HydrophobicContact CB-CZ 4.06Å; R10-F66 HydrophobicContact CG-CE1 4.39Å |
| 11 | L | 98.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | trans | -82.9 | -32.1 | -179.7 | -58.6 | -179.7 | 0 | 0 | 0 | 112.1 | E9 V15 R17 Y34 Y196 V202 | E9-L11 HydrophobicContact CB-CD2 4.27Å; E9-L11 HydrophobicContact CG-CD2 3.89Å; E9-L11 PolarHBondContact O-N 2.96Å; L11-V15 HydrophobicContact CB-CB 4.43Å; L11-V15 HydrophobicContact CB-CG1 4.38Å; L11-V15 HydrophobicContact CD1-CG1 4.14Å; L11-V15 PolarHBondContact N-O 3.4Å; L11-R17 HydrophobicContact CD1-CB 3.83Å; L11-R17 HydrophobicContact CG-CB 4.13Å; L11-Y34 HydrophobicContact CD1-CD1 4.37Å; L11-Y34 HydrophobicContact CD1-CE1 3.84Å; L11-Y196 HydrophobicContact CB-CE1 4.15Å; L11-Y196 HydrophobicContact CD1-CD1 3.77Å; L11-Y196 HydrophobicContact CD1-CE1 3.86Å; L11-V202 HydrophobicContact CD1-CG2 3.6Å; L11-V202 HydrophobicContact CD2-CG2 3.81Å; L11-V202 HydrophobicContact CG-CG2 4.28Å | ||
| 12 | S | 98.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -150.8 | -175.6 | 176.2 | 80.6 | 0 | 0 | 0 | 0 | 111.2 | R10 R14 V15 E157 | R10-S12 WeakPolarHBondContact CG-O 3.08Å; R10-S12 PolarHBondContact NE-O 2.93Å; R10-S12 VanDerWaalsContact NE-O 3.12Å; S12-R14 PolarHBondContact O-N 3.12Å; S12-R14 PolarHBondContact OG-N 3.17Å; S12-V15 PolarHBondContact N-O 3.3Å; S12-V15 VanDerWaalsContact N-O 3.14Å; S12-V15 PolarHBondContact OG-N 3.36Å; S12-E157 WeakPolarHBondContact CB-OE1 3.44Å; S12-E157 WeakPolarHBondContact CB-OE2 3.33Å; S12-E157 VanDerWaalsContact OG-CD 3.23Å; S12-E157 PolarHBondContact OG-OE1 3.35Å; S12-E157 PolarHBondContact OG-OE2 3.31Å |
| 13 | N | 96.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -63.7 | -25.3 | 172 | -77.3 | -26.8 | 0 | 0 | 0 | 112.8 | R10 | R10-N13 PolarHBondContact NH2-OD1 3.36Š|
| 14 | R | 98.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 25% | 0.249 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -103.7 | -28.6 | -176.4 | -63.6 | 176.4 | 175.9 | 81.1 | 0.7 | 113.6 | S12 V36 G37 T38 G134 E157 | S12-R14 PolarHBondContact O-N 3.12Å; S12-R14 PolarHBondContact OG-N 3.17Å; R14-V36 CarbonylContact O-C 3.6Å; R14-V36 WeakPolarHBondContact O-CA 3.47Å; R14-G37 WeakPolarHBondContact CA-O 3.14Å; R14-G37 PolarHBondContact O-N 3.32Å; R14-G37 VanDerWaalsContact O-O 3.09Å; R14-T38 HydrophobicContact CG-CG2 3.7Å; R14-G134 WeakPolarHBondContact CD-O 3.34Å; R14-G134 PolarHBondContact NE-O 3.27Å; R14-E157 WeakPolarHBondContact CB-OE1 3.49Å; R14-E157 WeakPolarHBondContact CD-OE1 3.28Å; R14-E157 WeakPolarHBondContact CG-OE1 3.48Å; R14-E157 IonicContact NH1-OE1 3.57Å |
| 15 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.4 | -167.6 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | L11 S12 Y34 L154 F161 Y196 | L11-V15 HydrophobicContact CB-CB 4.43Å; L11-V15 HydrophobicContact CB-CG1 4.38Å; L11-V15 HydrophobicContact CD1-CG1 4.14Å; L11-V15 PolarHBondContact N-O 3.4Å; S12-V15 PolarHBondContact N-O 3.3Å; S12-V15 VanDerWaalsContact N-O 3.14Å; S12-V15 PolarHBondContact OG-N 3.36Å; V15-Y34 HydrophobicContact CG1-CD1 3.68Å; V15-Y34 HydrophobicContact CG1-CE1 4.38Å; V15-Y34 HydrophobicContact CG1-CG 4.45Å; V15-L154 HydrophobicContact CG2-CD2 3.77Å; V15-F161 HydrophobicContact CG1-CE1 3.9Å; V15-F161 HydrophobicContact CG1-CZ 4.06Å; V15-F161 HydrophobicContact CG2-CE1 4.48Å; V15-F161 HydrophobicContact CG2-CZ 3.83Å; V15-Y196 HydrophobicContact CB-CE2 4.32Å; V15-Y196 HydrophobicContact CG1-CD2 4.38Å; V15-Y196 HydrophobicContact CG1-CE1 4.44Å; V15-Y196 HydrophobicContact CG1-CE2 4.23Å; V15-Y196 HydrophobicContact CG2-CD2 4.46Å; V15-Y196 HydrophobicContact CG2-CE2 3.76Å |
| 16 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.2 | 168.8 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | V8 E9 R10 V18 Y34 L35 F66 | V8-V16 HydrophobicContact CG1-CG1 4Å; E9-V16 CarbonylContact O-C 3.54Å; E9-V16 WeakPolarHBondContact O-CA 3.47Å; R10-V16 HydrophobicContact CB-CG2 4.44Å; R10-V16 HydrophobicContact CG-CG2 4.34Å; V16-V18 HydrophobicContact CG1-CG2 4.49Å; V16-Y34 CarbonylContact O-C 3.49Å; V16-Y34 WeakPolarHBondContact O-CA 3.32Å; V16-L35 HydrophobicContact CB-CB 4.27Å; V16-L35 PolarHBondContact N-O 2.81Å; V16-L35 PolarHBondContact O-N 2.84Å; V16-F66 HydrophobicContact CB-CD2 4.43Å; V16-F66 HydrophobicContact CB-CE2 4.2Å; V16-F66 HydrophobicContact CG1-CD2 3.93Å; V16-F66 HydrophobicContact CG1-CE2 3.42Å; V16-F66 VanDerWaalsContact CG1-CE2 3.42Å; V16-F66 HydrophobicContact CG1-CZ 4.04Å; V16-F66 HydrophobicContact CG2-CD1 4.19Å; V16-F66 HydrophobicContact CG2-CD2 3.86Å; V16-F66 HydrophobicContact CG2-CE1 4.02Å; V16-F66 HydrophobicContact CG2-CE2 3.72Å; V16-F66 HydrophobicContact CG2-CG 4.13Å; V16-F66 HydrophobicContact CG2-CZ 3.8Å |
| 17 | R | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.4 | 173.1 | -168.3 | -178.4 | 81.8 | -130.5 | -15.8 | 109.7 | Q6 V8 E9 L11 N32 T33 Y34 | Q6-R17 PolarHBondContact O-NH2 2.74Å; Q6-R17 VanDerWaalsContact O-NH2 3.09Å; V8-R17 WeakPolarHBondContact CA-O 3.44Å; E9-R17 PolarHBondContact N-O 3.05Å; E9-R17 PolarHBondContact O-N 3.18Å; E9-R17 IonicContact OE2-CZ 3.84Å; E9-R17 IonicContact OE2-NH1 3.98Å; E9-R17 PolarHBondContact OE2-NH1 3.43Å; E9-R17 IonicContact OE2-NH2 2.63Å; E9-R17 PolarHBondContact OE2-NH2 3.4Å; L11-R17 HydrophobicContact CD1-CB 3.83Å; L11-R17 HydrophobicContact CG-CB 4.13Å; R17-N32 VanDerWaalsContact CD-OD1 3.23Å; R17-N32 WeakPolarHBondContact CD-OD1 3.48Å; R17-N32 HydrophobicContact CG-CB 4.06Å; R17-T33 CarbonylContact C-O 3.55Å; R17-T33 WeakPolarHBondContact CA-O 3.38Å; R17-Y34 HydrophobicContact CB-CD1 4.01Å; R17-Y34 HydrophobicContact CB-CE1 3.87Å; R17-Y34 HydrophobicContact CG-CD1 4.09Å; R17-Y34 HydrophobicContact CG-CE1 3.66Å |
| 18 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.5 | 169.4 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | R7 V8 V16 T33 L35 Y55 C58 L59 A62 | R7-V18 CarbonylContact O-C 2.9Å; R7-V18 WeakPolarHBondContact O-CA 3.17Å; V8-V18 HydrophobicContact CG2-CG1 4.46Å; V16-V18 HydrophobicContact CG1-CG2 4.49Å; V18-T33 PolarHBondContact N-O 2.93Å; V18-T33 PolarHBondContact O-N 3.1Å; V18-T33 PolarHBondContact O-OG1 3.25Å; V18-T33 VanDerWaalsContact O-OG1 3.09Å; V18-L35 HydrophobicContact CG2-CD1 4.45Å; V18-Y55 HydrophobicContact CB-CE2 4.47Å; V18-Y55 HydrophobicContact CG1-CD2 4.15Å; V18-Y55 HydrophobicContact CG1-CE2 3.91Å; V18-C58 HydrophobicContact CG1-CB 3.8Å; V18-L59 HydrophobicContact CG1-CB 4.28Å; V18-L59 HydrophobicContact CG2-CD1 4.32Å; V18-A62 HydrophobicContact CG2-CB 3.65Å |
| 19 | L | 98.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132 | -176.3 | -165.3 | 65.8 | 0 | 0 | 0 | 110.5 | L5 R7 C21 Q29 N32 | L5-L19 HydrophobicContact CB-CD2 4.36Å; L5-L19 HydrophobicContact CD1-CD1 4.45Å; R7-L19 PolarHBondContact O-N 3.29Å; L19-C21 PolarHBondContact O-N 2.78Å; L19-C21 PolarHBondContact O-SG 3.38Å; L19-Q29 WeakPolarHBondContact CD2-O 3.43Å; L19-N32 WeakPolarHBondContact CD1-OD1 3.47Å |
| 20 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -64.3 | -1.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N22 T31 I52 | G20-N22 VanDerWaalsContact C-OD1 3.3Å; G20-N22 PolarHBondContact O-N 2.94Å; G20-N22 VanDerWaalsContact O-N 3.09Å; G20-N22 PolarHBondContact O-OD1 3.06Å; G20-T31 WeakPolarHBondContact CA-O 3.34Å; G20-T31 PolarHBondContact N-O 2.99Å; G20-I52 WeakPolarHBondContact O-CG2 3.4Å | ||
| 21 | C | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 54.9 | 26.2 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 115.1 | L19 P23 I52 E54 | L19-C21 PolarHBondContact O-N 2.78Å; L19-C21 PolarHBondContact O-SG 3.38Å; C21-P23 VanDerWaalsContact C-CD 3.41Å; C21-P23 WeakPolarHBondContact O-CD 3.45Å; C21-I52 HydrophobicContact CB-CG2 3.89Å; C21-E54 HydrophobicContact CB-CB 3.88Å |
| 22 | N | 97.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | trans | -121.9 | 59.4 | -176.4 | 62.2 | -36 | 0 | 0 | 0 | 112 | G20 T27 G30 T31 E49 | G20-N22 VanDerWaalsContact C-OD1 3.3Å; G20-N22 PolarHBondContact O-N 2.94Å; G20-N22 VanDerWaalsContact O-N 3.09Å; G20-N22 PolarHBondContact O-OD1 3.06Å; N22-T27 WeakPolarHBondContact O-CB 3.47Å; N22-T27 PolarHBondContact O-OG1 2.71Å; N22-G30 WeakPolarHBondContact OD1-CA 3.38Å; N22-T31 PolarHBondContact ND2-OG1 2.99Å; N22-T31 PolarHBondContact OD1-N 2.88Å; N22-T31 PolarHBondContact OD1-OG1 2.91Å; N22-E49 HydrophobicContact CB-CB 4.37Å; N22-E49 PolarHBondContact ND2-OE2 2.96Å | ||
| 23 | P | 96.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 33.1 Ų | 33.1 | 61% | 0.61 | 19% | 0.189 | S | C | * | . | trans | -64.8 | 144.2 | -178.1 | 29.3 | -35.9 | 0 | 0 | 0 | 112 | C21 L28 | C21-P23 VanDerWaalsContact C-CD 3.41Å; C21-P23 WeakPolarHBondContact O-CD 3.45Å; P23-L28 CarbonylContact C-O 3.6Å; P23-L28 WeakPolarHBondContact CA-O 3.47Å; P23-L28 WeakPolarHBondContact CB-O 3.33Å | ||
| 24 | G | 95.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 27% | 0.268 | 16% | 0.163 | S | C | . | . | B | Isolated β-bridge | trans | -177.3 | 173.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | M26 T27 L28 | G24-M26 PolarHBondContact O-N 2.97Å; G24-T27 WeakPolarHBondContact CA-OG1 3.4Å; G24-T27 PolarHBondContact N-OG1 2.95Å; G24-T27 PolarHBondContact O-N 3.15Å; G24-L28 PolarHBondContact N-O 2.9Å; G24-L28 WeakPolarHBondContact O-CA 3.41Å; G24-L28 PolarHBondContact O-N 3.43Å |
| 25 | P | 92.8 | Very high | 97.5 | Very high | 133 Ų | 133 | 25.1 Ų | 25.1 | 86% | 0.864 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.9 | -179.1 | -25.2 | 35 | 0 | 0 | 0 | 114.2 | ||
| 26 | M | 93.5 | Very high | 97.5 | Very high | 121 Ų | 121 | 25.1 Ų | 25.1 | 60% | 0.596 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -30.4 | 179.1 | -61.6 | -56.6 | -62.6 | 0 | 0 | 112.6 | G24 V173 | G24-M26 PolarHBondContact O-N 2.97Å; M26-V173 HydrophobicContact CE-CG1 3.96Å; M26-V173 HydrophobicContact CE-CG2 3.74Å |
| 27 | T | 96.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 10% | 0.104 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -0.5 | -173.7 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | N22 G24 Q29 G30 D81 H199 | N22-T27 WeakPolarHBondContact O-CB 3.47Å; N22-T27 PolarHBondContact O-OG1 2.71Å; G24-T27 WeakPolarHBondContact CA-OG1 3.4Å; G24-T27 PolarHBondContact N-OG1 2.95Å; G24-T27 PolarHBondContact O-N 3.15Å; T27-Q29 PolarHBondContact O-N 3.26Å; T27-G30 CarbonylContact O-C 3.2Å; T27-G30 VanDerWaalsContact O-C 3.23Å; T27-G30 VanDerWaalsContact O-CA 3.32Å; T27-G30 WeakPolarHBondContact O-CA 3.44Å; T27-G30 PolarHBondContact O-N 2.8Å; T27-G30 VanDerWaalsContact O-O 3.06Å; T27-D81 HydrophobicContact CG2-CB 4.34Å; T27-H199 WeakPolarHBondContact CA-ND1 3.44Å; T27-H199 PolarHBondContact O-ND1 3.19Å; T27-H199 VanDerWaalsContact O-ND1 3.14Å |
| 28 | L | 96.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 27.5 Ų | 27.5 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | B | Isolated β-bridge | trans | 55 | -119.1 | -177.9 | -52.8 | 176.8 | 0 | 0 | 0 | 112 | P23 G24 G30 E169 H199 | P23-L28 CarbonylContact C-O 3.6Å; P23-L28 WeakPolarHBondContact CA-O 3.47Å; P23-L28 WeakPolarHBondContact CB-O 3.33Å; G24-L28 PolarHBondContact N-O 2.9Å; G24-L28 WeakPolarHBondContact O-CA 3.41Å; G24-L28 PolarHBondContact O-N 3.43Å; L28-G30 PolarHBondContact O-N 3.14Å; L28-E169 HydrophobicContact CD1-CB 3.91Å; L28-H199 HydrophobicContact CB-CB 4.39Å; L28-H199 HydrophobicContact CD1-CB 3.84Å; L28-H199 HydrophobicContact CG-CB 4.13Å |
| 29 | Q | 97 | Very high | 97.4 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.5 | 174.8 | -63.2 | 84.1 | -1.9 | 0 | 0 | 113.3 | A3 L5 L19 T27 E169 | A3-Q29 VanDerWaalsContact O-CG 3.3Å; A3-Q29 WeakPolarHBondContact O-CG 3.46Å; A3-Q29 PolarHBondContact O-NE2 3.33Å; L5-Q29 HydrophobicContact CB-CB 4.37Å; L5-Q29 HydrophobicContact CD1-CB 3.96Å; L5-Q29 HydrophobicContact CD1-CG 4.24Å; L5-Q29 HydrophobicContact CG-CB 4.17Å; L5-Q29 HydrophobicContact CG-CG 4.08Å; L19-Q29 WeakPolarHBondContact CD2-O 3.43Å; T27-Q29 PolarHBondContact O-N 3.26Å; Q29-E169 PolarHBondContact NE2-OE1 2.8Å |
| 30 | G | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 132.8 | 164.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | N22 T27 L28 N32 H199 | N22-G30 WeakPolarHBondContact OD1-CA 3.38Å; T27-G30 CarbonylContact O-C 3.2Å; T27-G30 VanDerWaalsContact O-C 3.23Å; T27-G30 VanDerWaalsContact O-CA 3.32Å; T27-G30 WeakPolarHBondContact O-CA 3.44Å; T27-G30 PolarHBondContact O-N 2.8Å; T27-G30 VanDerWaalsContact O-O 3.06Å; L28-G30 PolarHBondContact O-N 3.14Å; G30-N32 PolarHBondContact O-N 3.31Å; G30-H199 PolarHBondContact O-ND1 3.03Å | ||
| 31 | T | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 128.7 | 174.5 | -45 | 0 | 0 | 0 | 0 | 110.2 | G20 N22 D81 H199 | G20-T31 WeakPolarHBondContact CA-O 3.34Å; G20-T31 PolarHBondContact N-O 2.99Å; N22-T31 PolarHBondContact ND2-OG1 2.99Å; N22-T31 PolarHBondContact OD1-N 2.88Å; N22-T31 PolarHBondContact OD1-OG1 2.91Å; T31-D81 VanDerWaalsContact CG2-O 3.32Å; T31-D81 WeakPolarHBondContact CG2-O 3.48Å; T31-D81 PolarHBondContact OG1-O 2.65Å; T31-D81 PolarHBondContact OG1-OD2 3.27Å; T31-D81 VanDerWaalsContact OG1-OD2 3.04Å; T31-H199 WeakPolarHBondContact CA-ND1 3.35Å; T31-H199 PolarHBondContact OG1-CE1 3Å; T31-H199 VanDerWaalsContact OG1-CE1 3.31Å |
| 32 | N | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.9 | 173.1 | -65.1 | -36.7 | 0 | 0 | 0 | 109.3 | R17 L19 G30 Y34 P197 G198 G200 | R17-N32 VanDerWaalsContact CD-OD1 3.23Å; R17-N32 WeakPolarHBondContact CD-OD1 3.48Å; R17-N32 HydrophobicContact CG-CB 4.06Å; L19-N32 WeakPolarHBondContact CD1-OD1 3.47Å; G30-N32 PolarHBondContact O-N 3.31Å; N32-Y34 HydrophobicContact CB-CE1 4.45Å; N32-Y34 HydrophobicContact CB-CE2 3.71Å; N32-Y34 WeakPolarHBondContact CB-OH 3.42Å; N32-Y34 PolarHBondContact ND2-OH 2.92Å; N32-P197 WeakPolarHBondContact CB-O 3.39Å; N32-P197 PolarHBondContact ND2-O 2.96Å; N32-G198 WeakPolarHBondContact CB-O 3.5Å; N32-G198 PolarHBondContact N-O 3.49Å; N32-G200 PolarHBondContact ND2-O 2.98Å |
| 33 | T | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 155.8 | 163.2 | 78.5 | 0 | 0 | 0 | 0 | 109.3 | R17 V18 I45 D46 Y55 | R17-T33 CarbonylContact C-O 3.55Å; R17-T33 WeakPolarHBondContact CA-O 3.38Å; V18-T33 PolarHBondContact N-O 2.93Å; V18-T33 PolarHBondContact O-N 3.1Å; V18-T33 PolarHBondContact O-OG1 3.25Å; V18-T33 VanDerWaalsContact O-OG1 3.09Å; T33-I45 CarbonylContact C-O 3.56Å; T33-I45 VanDerWaalsContact CA-O 3.24Å; T33-I45 WeakPolarHBondContact CA-O 3.35Å; T33-I45 VanDerWaalsContact CB-O 3.3Å; T33-I45 WeakPolarHBondContact CB-O 3.3Å; T33-D46 HydrophobicContact CG2-CB 4.27Å; T33-Y55 HydrophobicContact CG2-CE2 3.85Å; T33-Y55 WeakPolarHBondContact CG2-OH 3.47Å; T33-Y55 WeakPolarHBondContact OG1-CE2 3.32Å; T33-Y55 PolarHBondContact OG1-OH 2.8Å |
| 34 | Y | 99 | Very high | 97.5 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.4 | -173.1 | -59 | -84.2 | 0 | 0 | 0 | 112.2 | L11 V15 V16 R17 N32 L44 I45 F161 Y196 P197 | L11-Y34 HydrophobicContact CD1-CD1 4.37Å; L11-Y34 HydrophobicContact CD1-CE1 3.84Å; V15-Y34 HydrophobicContact CG1-CD1 3.68Å; V15-Y34 HydrophobicContact CG1-CE1 4.38Å; V15-Y34 HydrophobicContact CG1-CG 4.45Å; V16-Y34 CarbonylContact O-C 3.49Å; V16-Y34 WeakPolarHBondContact O-CA 3.32Å; R17-Y34 HydrophobicContact CB-CD1 4.01Å; R17-Y34 HydrophobicContact CB-CE1 3.87Å; R17-Y34 HydrophobicContact CG-CD1 4.09Å; R17-Y34 HydrophobicContact CG-CE1 3.66Å; N32-Y34 HydrophobicContact CB-CE1 4.45Å; N32-Y34 HydrophobicContact CB-CE2 3.71Å; N32-Y34 WeakPolarHBondContact CB-OH 3.42Å; N32-Y34 PolarHBondContact ND2-OH 2.92Å; Y34-L44 CarbonylContact O-C 3.58Å; Y34-L44 WeakPolarHBondContact O-CA 3.39Å; Y34-I45 PolarHBondContact N-O 2.91Å; Y34-I45 PolarHBondContact O-N 3.23Å; Y34-F161 HydrophobicContact CD1-CD1 4.32Å; Y34-F161 AromaticContact CD1-CE1 3.84Å; Y34-F161 HydrophobicContact CD1-CE1 3.84Å; Y34-F161 AromaticContact CD2-CD1 3.62Å; Y34-F161 HydrophobicContact CD2-CD1 3.62Å; Y34-F161 AromaticContact CD2-CE1 3.9Å; Y34-F161 HydrophobicContact CD2-CE1 3.9Å; Y34-F161 HydrophobicContact CE1-CE1 4.4Å; Y34-F161 AromaticContact CE2-CD1 3.99Å; Y34-F161 HydrophobicContact CE2-CD1 3.99Å; Y34-F161 HydrophobicContact CE2-CE1 4.47Å; Y34-F161 AromaticContact CG-CD1 3.8Å; Y34-F161 HydrophobicContact CG-CD1 3.8Å; Y34-F161 AromaticContact CG-CE1 3.54Å; Y34-F161 HydrophobicContact CG-CE1 3.54Å; Y34-Y196 HydrophobicContact CE1-CG 4.41Å; Y34-P197 PolarHBondContact OH-O 3.42Å |
| 35 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.1 | 162.9 | -68.3 | 169 | 0 | 0 | 0 | 108.7 | V16 V18 I43 L44 L59 A62 L63 I70 | V16-L35 HydrophobicContact CB-CB 4.27Å; V16-L35 PolarHBondContact N-O 2.81Å; V16-L35 PolarHBondContact O-N 2.84Å; V18-L35 HydrophobicContact CG2-CD1 4.45Å; L35-I43 CarbonylContact C-O 3.59Å; L35-I43 WeakPolarHBondContact CA-O 3.44Å; L35-L44 HydrophobicContact CD2-CB 4.29Å; L35-L44 HydrophobicContact CD2-CD1 4.02Å; L35-L44 HydrophobicContact CG-CD1 4.4Å; L35-L59 HydrophobicContact CD1-CD1 4.28Å; L35-L59 HydrophobicContact CD2-CD1 4.34Å; L35-L59 HydrophobicContact CG-CD1 4.4Å; L35-A62 HydrophobicContact CD1-CB 3.94Å; L35-L63 HydrophobicContact CD1-CD2 3.91Å; L35-L63 HydrophobicContact CD2-CD2 3.93Å; L35-I70 HydrophobicContact CD2-CG1 4.32Å |
| 36 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.1 | -173.8 | -172.4 | 0 | 0 | 0 | 0 | 111 | R14 R42 I43 I45 T132 A135 L137 L154 F161 | R14-V36 CarbonylContact O-C 3.6Å; R14-V36 WeakPolarHBondContact O-CA 3.47Å; V36-R42 WeakPolarHBondContact O-CA 3.4Å; V36-R42 VanDerWaalsContact O-CB 3.28Å; V36-R42 WeakPolarHBondContact O-CB 3.27Å; V36-I43 PolarHBondContact N-O 3.09Å; V36-I43 PolarHBondContact O-N 2.94Å; V36-I45 HydrophobicContact CG2-CD1 3.64Å; V36-I45 HydrophobicContact CG2-CG1 4.19Å; V36-T132 VanDerWaalsContact O-CG2 3.32Å; V36-T132 WeakPolarHBondContact O-CG2 3.38Å; V36-A135 HydrophobicContact CG1-CB 3.78Å; V36-L137 HydrophobicContact CG1-CD2 4.24Å; V36-L154 HydrophobicContact CG1-CD1 4.09Å; V36-L154 HydrophobicContact CG1-CD2 4.41Å; V36-F161 HydrophobicContact CG1-CE2 4.41Å; V36-F161 HydrophobicContact CG1-CZ 4.32Å; V36-F161 HydrophobicContact CG2-CE1 4Å; V36-F161 HydrophobicContact CG2-CE2 3.96Å; V36-F161 HydrophobicContact CG2-CZ 3.41Å; V36-F161 VanDerWaalsContact CG2-CZ 3.41Å |
| 37 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | 136.2 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R14 R42 E133 | R14-G37 WeakPolarHBondContact CA-O 3.14Å; R14-G37 PolarHBondContact O-N 3.32Å; R14-G37 VanDerWaalsContact O-O 3.09Å; G37-R42 WeakPolarHBondContact O-CD 3.32Å; G37-R42 PolarHBondContact O-NE 3.46Å; G37-R42 VanDerWaalsContact O-NE 3.15Å; G37-R42 PolarHBondContact O-NH1 3.36Å; G37-E133 CarbonylContact C-O 3.56Å; G37-E133 WeakPolarHBondContact CA-O 3.48Å | ||
| 38 | T | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 15.5 Ų | 15.5 | 33% | 0.331 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -111.1 | -23 | 177 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | R14 R42 E133 G134 | R14-T38 HydrophobicContact CG-CG2 3.7Å; T38-R42 PolarHBondContact O-NH2 3.09Å; T38-E133 PolarHBondContact N-O 3.09Å; T38-E133 PolarHBondContact OG1-O 3Å; T38-G134 WeakPolarHBondContact OG1-CA 3.22Å |
| 39 | G | 97.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 7% | 0.072 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -81.3 | -173.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | R41 R42 E133 | G39-R41 PolarHBondContact O-N 2.82Å; G39-R42 PolarHBondContact O-NE 3.14Å; G39-E133 WeakPolarHBondContact CA-OE1 3.24Å; G39-E133 WeakPolarHBondContact CA-OE2 3.49Å |
| 40 | P | 96.8 | Very high | 98.3 | Very high | 79 Ų | 79 | 15.8 Ų | 15.8 | 51% | 0.513 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -75 | -6.9 | -179.6 | 32.3 | -36.5 | 0 | 0 | 0 | 113.4 | T68 A69 E133 | P40-T68 CarbonylContact O-C 3.51Å; P40-T68 WeakPolarHBondContact O-CA 3.37Å; P40-T68 PolarHBondContact O-OG1 2.9Å; P40-A69 PolarHBondContact O-N 3.46Å; P40-E133 WeakPolarHBondContact CD-OE2 3.37Å |
| 41 | R | 97.5 | Very high | 98.2 | Very high | 82 Ų | 82 | 19.4 Ų | 19.4 | 31% | 0.309 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.2 | 170.1 | -56.2 | -170.9 | 71.1 | 107.8 | 8.9 | 108.1 | G39 A69 I70 Q71 N95 D96 T132 | G39-R41 PolarHBondContact O-N 2.82Å; R41-A69 CarbonylContact C-O 3.56Å; R41-A69 VanDerWaalsContact CA-O 3.32Å; R41-A69 WeakPolarHBondContact CA-O 3.4Å; R41-I70 PolarHBondContact NH2-O 2.71Å; R41-Q71 HydrophobicContact CB-CB 4.01Å; R41-N95 PolarHBondContact NH2-OD1 2.83Å; R41-D96 IonicContact NH1-OD2 3.44Å; R41-T132 PolarHBondContact O-OG1 3.49Å |
| 42 | R | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 21 Ų | 21 | 6% | 0.06 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.6 | -175.6 | -69.6 | -174.7 | -167.2 | -154 | -0.8 | 111.8 | V36 G37 T38 G39 T68 A69 I70 Q71 | V36-R42 WeakPolarHBondContact O-CA 3.4Å; V36-R42 VanDerWaalsContact O-CB 3.28Å; V36-R42 WeakPolarHBondContact O-CB 3.27Å; G37-R42 WeakPolarHBondContact O-CD 3.32Å; G37-R42 PolarHBondContact O-NE 3.46Å; G37-R42 VanDerWaalsContact O-NE 3.15Å; G37-R42 PolarHBondContact O-NH1 3.36Å; T38-R42 PolarHBondContact O-NH2 3.09Å; G39-R42 PolarHBondContact O-NE 3.14Å; R42-T68 WeakPolarHBondContact CG-OG1 2.9Å; R42-A69 PolarHBondContact N-O 2.81Å; R42-I70 CarbonylContact O-C 3.6Å; R42-I70 WeakPolarHBondContact O-CA 3.45Å; R42-Q71 PolarHBondContact O-N 3.31Å |
| 43 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132 | 174.7 | -61.9 | 163.7 | 0 | 0 | 0 | 108.1 | L35 V36 I45 E72 V74 I130 T132 L137 | L35-I43 CarbonylContact C-O 3.59Å; L35-I43 WeakPolarHBondContact CA-O 3.44Å; V36-I43 PolarHBondContact N-O 3.09Å; V36-I43 PolarHBondContact O-N 2.94Å; I43-I45 HydrophobicContact CG2-CG1 4.36Å; I43-E72 HydrophobicContact CG1-CG 4.02Å; I43-E72 HydrophobicContact CG2-CG 4.41Å; I43-V74 HydrophobicContact CG2-CB 4.33Å; I43-V74 HydrophobicContact CG2-CG2 3.63Å; I43-I130 HydrophobicContact CD1-CB 4.33Å; I43-I130 HydrophobicContact CD1-CG2 3.66Å; I43-I130 HydrophobicContact CG1-CG2 4.37Å; I43-T132 HydrophobicContact CD1-CG2 3.83Å; I43-T132 HydrophobicContact CG1-CG2 3.89Å; I43-L137 HydrophobicContact CB-CD1 4.36Å; I43-L137 HydrophobicContact CD1-CD1 3.8Å; I43-L137 HydrophobicContact CD1-CG 4.32Å; I43-L137 HydrophobicContact CG2-CD1 4.01Å |
| 44 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.7 | 169.7 | 177.8 | 63.6 | 0 | 0 | 0 | 109.2 | Y34 L35 D46 L59 I70 E72 I73 V74 I89 | Y34-L44 CarbonylContact O-C 3.58Å; Y34-L44 WeakPolarHBondContact O-CA 3.39Å; L35-L44 HydrophobicContact CD2-CB 4.29Å; L35-L44 HydrophobicContact CD2-CD1 4.02Å; L35-L44 HydrophobicContact CG-CD1 4.4Å; L44-D46 WeakPolarHBondContact CG-O 3.48Å; L44-L59 HydrophobicContact CD1-CD1 4.23Å; L44-L59 HydrophobicContact CD2-CD2 3.99Å; L44-I70 HydrophobicContact CB-CG1 4.39Å; L44-I70 HydrophobicContact CB-CG2 4.04Å; L44-I70 HydrophobicContact CD2-CD1 3.82Å; L44-E72 PolarHBondContact N-O 3.24Å; L44-I73 HydrophobicContact CB-CG1 4.38Å; L44-I73 HydrophobicContact CD2-CG1 4.38Å; L44-I73 CarbonylContact O-C 3.57Å; L44-I73 WeakPolarHBondContact O-CA 3.24Å; L44-V74 PolarHBondContact O-N 2.89Å; L44-I89 HydrophobicContact CD2-CD1 3.71Å |
| 45 | I | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.4 | 172.9 | -56.6 | 172.3 | 0 | 0 | 0 | 108.7 | T33 Y34 V36 I43 V74 T76 L137 L152 F161 | T33-I45 CarbonylContact C-O 3.56Å; T33-I45 VanDerWaalsContact CA-O 3.24Å; T33-I45 WeakPolarHBondContact CA-O 3.35Å; T33-I45 VanDerWaalsContact CB-O 3.3Å; T33-I45 WeakPolarHBondContact CB-O 3.3Å; Y34-I45 PolarHBondContact N-O 2.91Å; Y34-I45 PolarHBondContact O-N 3.23Å; V36-I45 HydrophobicContact CG2-CD1 3.64Å; V36-I45 HydrophobicContact CG2-CG1 4.19Å; I43-I45 HydrophobicContact CG2-CG1 4.36Å; I45-V74 CarbonylContact C-O 3.34Å; I45-V74 VanDerWaalsContact CA-O 3.3Å; I45-V74 WeakPolarHBondContact CA-O 3.31Å; I45-T76 HydrophobicContact CG2-CG2 3.87Å; I45-L137 HydrophobicContact CD1-CD1 3.94Å; I45-L137 HydrophobicContact CG1-CD1 4.35Å; I45-L152 HydrophobicContact CD1-CD1 3.71Å; I45-L152 HydrophobicContact CG1-CD1 3.96Å; I45-L152 HydrophobicContact CG2-CD1 4Å; I45-F161 HydrophobicContact CD1-CB 4.2Å; I45-F161 HydrophobicContact CD1-CD1 3.74Å; I45-F161 HydrophobicContact CD1-CD2 3.52Å; I45-F161 HydrophobicContact CD1-CE1 3.95Å; I45-F161 HydrophobicContact CD1-CE2 3.72Å; I45-F161 HydrophobicContact CD1-CG 3.53Å; I45-F161 HydrophobicContact CD1-CZ 3.94Å |
| 46 | D | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | trans | 56.2 | 167.3 | -173.8 | -67.1 | -28 | 0 | 0 | 0 | 114.6 | T33 L44 V74 V75 T76 H82 | T33-D46 HydrophobicContact CG2-CB 4.27Å; L44-D46 WeakPolarHBondContact CG-O 3.48Å; D46-V74 PolarHBondContact N-O 3.34Å; D46-V75 WeakPolarHBondContact OD1-CA 3.42Å; D46-T76 VanDerWaalsContact CG-OG1 3.29Å; D46-T76 PolarHBondContact OD1-N 2.99Å; D46-T76 PolarHBondContact OD1-OG1 2.94Å; D46-T76 VanDerWaalsContact OD2-CG2 3.25Å; D46-T76 WeakPolarHBondContact OD2-CG2 3.08Å; D46-T76 PolarHBondContact OD2-OG1 3.36Å; D46-H82 HydrophobicContact CB-CB 4.28Å; D46-H82 IonicContact OD1-ND1 2.76Å; D46-H82 IonicContact OD2-CE1 2.65Å; D46-H82 IonicContact OD2-CG 2.9Å; D46-H82 IonicContact OD2-ND1 3.27Å; D46-H82 PolarHBondContact OD2-ND1 3.06Å | ||
| 47 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -136.5 | 4.5 | -166.3 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | Y55 I73 H82 S83 G85 I86 I89 | T47-Y55 WeakPolarHBondContact O-CE1 3.39Å; T47-I73 HydrophobicContact CG2-CG2 3.52Å; T47-H82 WeakPolarHBondContact CA-O 3.47Å; T47-H82 PolarHBondContact N-O 2.97Å; T47-H82 PolarHBondContact OG1-O 2.9Å; T47-S83 VanDerWaalsContact OG1-C 3.29Å; T47-S83 PolarHBondContact OG1-O 2.83Å; T47-G85 VanDerWaalsContact O-CA 3.28Å; T47-G85 WeakPolarHBondContact O-CA 3.32Å; T47-G85 PolarHBondContact OG1-N 3.43Å; T47-I86 HydrophobicContact CG2-CG1 3.64Å; T47-I86 PolarHBondContact OG1-N 3.47Å; T47-I89 HydrophobicContact CG2-CD1 3.61Å | ||
| 48 | G | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 70.9 | -176.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | D81 G84 G85 | G48-D81 VanDerWaalsContact C-C 3.48Å; G48-D81 CarbonylContact C-O 3.58Å; G48-D81 WeakPolarHBondContact CA-O 3.33Å; G48-D81 PolarHBondContact N-O 3.3Å; G48-D81 CarbonylContact O-C 3.4Å; G48-G84 PolarHBondContact O-N 3Å; G48-G85 PolarHBondContact O-N 2.75Å | ||
| 49 | E | 97.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 31.8 Ų | 31.8 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -77.4 | 148.2 | 176.3 | -171.7 | 171.2 | 178.8 | 0 | 0 | 111.3 | N22 I52 R80 D81 | N22-E49 HydrophobicContact CB-CB 4.37Å; N22-E49 PolarHBondContact ND2-OE2 2.96Å; E49-I52 HydrophobicContact CB-CG1 3.99Å; E49-I52 HydrophobicContact CG-CG1 4.48Å; E49-R80 IonicContact OE1-CZ 2.71Å; E49-R80 IonicContact OE1-NH1 2.68Å; E49-R80 PolarHBondContact OE1-NH1 2.95Å; E49-D81 HydrophobicContact CB-CB 4.27Å; E49-D81 PolarHBondContact N-O 3.19Å |
| 50 | P | 96.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 155.5 | 178.3 | 19.1 | -10.3 | 0 | 0 | 0 | 111.1 | R80 G84 D88 | P50-R80 HydrophobicContact CG-CG 4.07Å; P50-G84 WeakPolarHBondContact CB-O 3.32Å; P50-D88 WeakPolarHBondContact CA-OD2 3.48Å |
| 51 | A | 96.2 | Very high | 98.2 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 63% | 0.628 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 40 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P53 D88 | A51-P53 WeakPolarHBondContact O-CD 3.28Å; A51-D88 PolarHBondContact N-OD2 3.13Å |
| 52 | I | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | trans | -110.1 | 90.1 | 169.5 | -51.2 | -61.9 | 0 | 0 | 0 | 109.9 | G20 C21 E49 E54 Y55 I56 | G20-I52 WeakPolarHBondContact O-CG2 3.4Å; C21-I52 HydrophobicContact CB-CG2 3.89Å; E49-I52 HydrophobicContact CB-CG1 3.99Å; E49-I52 HydrophobicContact CG-CG1 4.48Å; I52-E54 VanDerWaalsContact C-N 3.25Å; I52-E54 HydrophobicContact CG2-CB 4.47Å; I52-E54 PolarHBondContact O-N 2.85Å; I52-Y55 PolarHBondContact O-N 3.5Å; I52-I56 PolarHBondContact O-N 3.19Å | ||
| 53 | P | 98.2 | Very high | 98.2 | Very high | 92 Ų | 92 | 32.9 Ų | 32.9 | 60% | 0.597 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -59.2 | -33.5 | -178.9 | -25 | 35.2 | 0 | 0 | 0 | 113.8 | A51 Y55 I56 S57 | A51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-Y55 VanDerWaalsContact C-N 3.32Å; P53-Y55 PolarHBondContact O-N 2.95Å; P53-I56 PolarHBondContact O-N 3.23Å; P53-S57 PolarHBondContact O-N 3.13Å |
| 54 | E | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 178.5 | -66.8 | 78.8 | -176.4 | 0 | 0 | 111.8 | C21 I52 S57 C58 | C21-E54 HydrophobicContact CB-CB 3.88Å; I52-E54 VanDerWaalsContact C-N 3.25Å; I52-E54 HydrophobicContact CG2-CB 4.47Å; I52-E54 PolarHBondContact O-N 2.85Å; E54-S57 WeakPolarHBondContact O-CB 3.37Å; E54-S57 PolarHBondContact O-N 3.35Å; E54-C58 PolarHBondContact O-N 3.35Å; E54-C58 PolarHBondContact O-SG 3.15Å |
| 55 | Y | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 175 | 166.7 | -114.7 | 0 | 0 | 0 | 111 | V18 T33 T47 I52 P53 S57 C58 L59 I89 | V18-Y55 HydrophobicContact CB-CE2 4.47Å; V18-Y55 HydrophobicContact CG1-CD2 4.15Å; V18-Y55 HydrophobicContact CG1-CE2 3.91Å; T33-Y55 HydrophobicContact CG2-CE2 3.85Å; T33-Y55 WeakPolarHBondContact CG2-OH 3.47Å; T33-Y55 WeakPolarHBondContact OG1-CE2 3.32Å; T33-Y55 PolarHBondContact OG1-OH 2.8Å; T47-Y55 WeakPolarHBondContact O-CE1 3.39Å; I52-Y55 PolarHBondContact O-N 3.5Å; P53-Y55 VanDerWaalsContact C-N 3.32Å; P53-Y55 PolarHBondContact O-N 2.95Å; Y55-S57 PolarHBondContact O-N 2.91Å; Y55-C58 PolarHBondContact O-N 2.82Å; Y55-C58 VanDerWaalsContact O-N 3.09Å; Y55-L59 HydrophobicContact CE1-CD2 4.37Å; Y55-L59 HydrophobicContact CE2-CB 4.46Å; Y55-L59 WeakPolarHBondContact O-CB 3.36Å; Y55-L59 PolarHBondContact O-N 2.72Å; Y55-I89 HydrophobicContact CE1-CD1 4.2Å; Y55-I89 HydrophobicContact CE1-CG1 4.43Å |
| 56 | I | 98.6 | Very high | 98 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 177.3 | -59.3 | -58.9 | 0 | 0 | 0 | 111.1 | I52 P53 K60 D88 I89 | I52-I56 PolarHBondContact O-N 3.19Å; P53-I56 PolarHBondContact O-N 3.23Å; I56-K60 HydrophobicContact CG2-CD 4.36Å; I56-K60 WeakPolarHBondContact O-CB 3.33Å; I56-K60 VanDerWaalsContact O-CG 3.32Å; I56-K60 WeakPolarHBondContact O-CG 3.42Å; I56-K60 PolarHBondContact O-N 2.91Å; I56-D88 HydrophobicContact CD1-CB 3.76Å; I56-D88 HydrophobicContact CG1-CB 4.07Å; I56-I89 HydrophobicContact CD1-CG1 3.91Å |
| 57 | S | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 173.3 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | P53 E54 Y55 L59 K60 Q61 | P53-S57 PolarHBondContact O-N 3.13Å; E54-S57 WeakPolarHBondContact O-CB 3.37Å; E54-S57 PolarHBondContact O-N 3.35Å; Y55-S57 PolarHBondContact O-N 2.91Å; S57-L59 PolarHBondContact O-N 2.93Å; S57-K60 PolarHBondContact O-N 2.82Å; S57-Q61 WeakPolarHBondContact O-CB 3.49Å; S57-Q61 PolarHBondContact O-N 2.98Å |
| 58 | C | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | V8 V18 E54 Y55 Q61 A62 | V8-C58 HydrophobicContact CG2-CB 4.1Å; V18-C58 HydrophobicContact CG1-CB 3.8Å; E54-C58 PolarHBondContact O-N 3.35Å; E54-C58 PolarHBondContact O-SG 3.15Å; Y55-C58 PolarHBondContact O-N 2.82Å; Y55-C58 VanDerWaalsContact O-N 3.09Å; C58-Q61 WeakPolarHBondContact O-CB 3.48Å; C58-Q61 PolarHBondContact O-N 2.98Å; C58-A62 PolarHBondContact O-N 3.2Å |
| 59 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 176.5 | -177.3 | 58.1 | 0 | 0 | 0 | 111 | V18 L35 L44 Y55 S57 Q61 A62 L63 I70 I89 I93 | V18-L59 HydrophobicContact CG1-CB 4.28Å; V18-L59 HydrophobicContact CG2-CD1 4.32Å; L35-L59 HydrophobicContact CD1-CD1 4.28Å; L35-L59 HydrophobicContact CD2-CD1 4.34Å; L35-L59 HydrophobicContact CG-CD1 4.4Å; L44-L59 HydrophobicContact CD1-CD1 4.23Å; L44-L59 HydrophobicContact CD2-CD2 3.99Å; Y55-L59 HydrophobicContact CE1-CD2 4.37Å; Y55-L59 HydrophobicContact CE2-CB 4.46Å; Y55-L59 WeakPolarHBondContact O-CB 3.36Å; Y55-L59 PolarHBondContact O-N 2.72Å; S57-L59 PolarHBondContact O-N 2.93Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.26Å; L59-A62 PolarHBondContact O-N 2.9Å; L59-L63 HydrophobicContact CD1-CG 4.41Å; L59-L63 HydrophobicContact CG-CD1 4.34Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.31Å; L59-L63 PolarHBondContact O-N 2.84Å; L59-I70 HydrophobicContact CD2-CD1 4.31Å; L59-I89 HydrophobicContact CD2-CD1 4Å; L59-I89 HydrophobicContact CD2-CG1 3.89Å; L59-I93 HydrophobicContact CB-CD1 4.26Å; L59-I93 HydrophobicContact CD2-CD1 3.46Å; L59-I93 VanDerWaalsContact CD2-CD1 3.46Å; L59-I93 HydrophobicContact CG-CD1 3.69Å |
| 60 | K | 98.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 52 Ų | 52 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 173.2 | -76.1 | 177.7 | 176.4 | -173 | 0 | 112.6 | I56 S57 T64 S92 I93 | I56-K60 HydrophobicContact CG2-CD 4.36Å; I56-K60 WeakPolarHBondContact O-CB 3.33Å; I56-K60 VanDerWaalsContact O-CG 3.32Å; I56-K60 WeakPolarHBondContact O-CG 3.42Å; I56-K60 PolarHBondContact O-N 2.91Å; S57-K60 PolarHBondContact O-N 2.82Å; K60-T64 WeakPolarHBondContact O-CB 3.35Å; K60-T64 PolarHBondContact O-N 2.82Å; K60-T64 PolarHBondContact O-OG1 2.79Å; K60-S92 WeakPolarHBondContact CE-O 3.34Å; K60-S92 PolarHBondContact NZ-O 2.77Å; K60-I93 HydrophobicContact CG-CD1 4.23Å; K60-I93 HydrophobicContact CG-CG1 4.05Å |
| 61 | Q | 98.1 | Very high | 97.9 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.6 | -52.4 | 173.8 | -179.7 | -169.8 | -23.8 | 0 | 0 | 110.2 | S57 C58 L59 L63 T64 E65 | S57-Q61 WeakPolarHBondContact O-CB 3.49Å; S57-Q61 PolarHBondContact O-N 2.98Å; C58-Q61 WeakPolarHBondContact O-CB 3.48Å; C58-Q61 PolarHBondContact O-N 2.98Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.26Å; Q61-L63 PolarHBondContact O-N 2.9Å; Q61-T64 PolarHBondContact O-N 2.91Å; Q61-E65 PolarHBondContact NE2-OE2 2.84Å; Q61-E65 VanDerWaalsContact O-CB 3.28Å; Q61-E65 WeakPolarHBondContact O-CB 3.45Å; Q61-E65 PolarHBondContact O-N 3.48Å |
| 62 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | V8 V18 L35 C58 L59 T64 E65 F66 | V8-A62 HydrophobicContact CG1-CB 3.81Å; V8-A62 HydrophobicContact CG2-CB 4.25Å; V18-A62 HydrophobicContact CG2-CB 3.65Å; L35-A62 HydrophobicContact CD1-CB 3.94Å; C58-A62 PolarHBondContact O-N 3.2Å; L59-A62 PolarHBondContact O-N 2.9Å; A62-T64 VanDerWaalsContact C-N 3.28Å; A62-T64 PolarHBondContact O-N 2.97Å; A62-E65 PolarHBondContact O-N 2.99Å; A62-F66 HydrophobicContact CB-CD2 4.3Å; A62-F66 HydrophobicContact CB-CE2 4.47Å; A62-F66 WeakPolarHBondContact O-CB 3.29Å; A62-F66 WeakPolarHBondContact O-CD2 3.19Å; A62-F66 PolarHBondContact O-N 2.63Å |
| 63 | L | 98.1 | Very high | 98 | Very high | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.4 | -67.3 | 175 | 0 | 0 | 0 | 112.1 | L35 L59 Q61 N67 T68 I70 I93 | L35-L63 HydrophobicContact CD1-CD2 3.91Å; L35-L63 HydrophobicContact CD2-CD2 3.93Å; L59-L63 HydrophobicContact CD1-CG 4.41Å; L59-L63 HydrophobicContact CG-CD1 4.34Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.31Å; L59-L63 PolarHBondContact O-N 2.84Å; Q61-L63 PolarHBondContact O-N 2.9Å; L63-N67 WeakPolarHBondContact O-CA 3.39Å; L63-N67 PolarHBondContact O-N 2.83Å; L63-N67 VanDerWaalsContact O-N 3.17Å; L63-T68 WeakPolarHBondContact CB-O 3.23Å; L63-T68 HydrophobicContact CD2-CG2 4.01Å; L63-T68 WeakPolarHBondContact CD2-O 3.35Å; L63-T68 PolarHBondContact O-N 3.09Å; L63-I70 HydrophobicContact CD1-CD1 4.23Å; L63-I70 HydrophobicContact CD1-CG1 4.26Å; L63-I70 HydrophobicContact CD2-CG1 3.93Å; L63-I93 HydrophobicContact CD1-CD1 4.08Å; L63-I93 HydrophobicContact CD1-CG2 3.66Å |
| 64 | T | 97.6 | Very high | 98 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 70% | 0.699 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.7 | -49.5 | 177.6 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | K60 Q61 A62 F66 N67 | K60-T64 WeakPolarHBondContact O-CB 3.35Å; K60-T64 PolarHBondContact O-N 2.82Å; K60-T64 PolarHBondContact O-OG1 2.79Å; Q61-T64 PolarHBondContact O-N 2.91Å; A62-T64 VanDerWaalsContact C-N 3.28Å; A62-T64 PolarHBondContact O-N 2.97Å; T64-F66 VanDerWaalsContact C-N 3.33Å; T64-F66 PolarHBondContact O-N 3.36Å; T64-N67 PolarHBondContact O-N 2.91Å; T64-N67 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 97.6 | Very high | 98 | Very high | 118 Ų | 118 | 39.8 Ų | 39.8 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.5 | -40.1 | -176.7 | -176 | 177.4 | 155.3 | 0 | 0 | 112 | Q61 A62 | Q61-E65 PolarHBondContact NE2-OE2 2.84Å; Q61-E65 VanDerWaalsContact O-CB 3.28Å; Q61-E65 WeakPolarHBondContact O-CB 3.45Å; Q61-E65 PolarHBondContact O-N 3.48Å; A62-E65 PolarHBondContact O-N 2.99Å |
| 66 | F | 96.6 | Very high | 98 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 18% | 0.18 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.5 | 178.4 | -61.5 | -70 | 0 | 0 | 0 | 113.5 | V8 R10 V16 A62 T64 T68 | V8-F66 HydrophobicContact CG1-CE2 3.93Å; R10-F66 HydrophobicContact CB-CE1 4.2Å; R10-F66 HydrophobicContact CB-CZ 4.06Å; R10-F66 HydrophobicContact CG-CE1 4.39Å; V16-F66 HydrophobicContact CB-CD2 4.43Å; V16-F66 HydrophobicContact CB-CE2 4.2Å; V16-F66 HydrophobicContact CG1-CD2 3.93Å; V16-F66 HydrophobicContact CG1-CE2 3.42Å; V16-F66 VanDerWaalsContact CG1-CE2 3.42Å; V16-F66 HydrophobicContact CG1-CZ 4.04Å; V16-F66 HydrophobicContact CG2-CD1 4.19Å; V16-F66 HydrophobicContact CG2-CD2 3.86Å; V16-F66 HydrophobicContact CG2-CE1 4.02Å; V16-F66 HydrophobicContact CG2-CE2 3.72Å; V16-F66 HydrophobicContact CG2-CG 4.13Å; V16-F66 HydrophobicContact CG2-CZ 3.8Å; A62-F66 HydrophobicContact CB-CD2 4.3Å; A62-F66 HydrophobicContact CB-CE2 4.47Å; A62-F66 WeakPolarHBondContact O-CB 3.29Å; A62-F66 WeakPolarHBondContact O-CD2 3.19Å; A62-F66 PolarHBondContact O-N 2.63Å; T64-F66 VanDerWaalsContact C-N 3.33Å; T64-F66 PolarHBondContact O-N 3.36Å; F66-T68 VanDerWaalsContact C-N 3.31Å; F66-T68 HydrophobicContact CB-CG2 4.03Å; F66-T68 PolarHBondContact O-N 3.19Å |
| 67 | N | 96.5 | Very high | 98 | Very high | 138 Ų | 138 | 39.2 Ų | 39.2 | 74% | 0.738 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46 | 52.3 | -179.7 | -170.7 | 48.1 | 0 | 0 | 0 | 112.8 | L63 T64 | L63-N67 WeakPolarHBondContact O-CA 3.39Å; L63-N67 PolarHBondContact O-N 2.83Å; L63-N67 VanDerWaalsContact O-N 3.17Å; T64-N67 PolarHBondContact O-N 2.91Å; T64-N67 VanDerWaalsContact O-N 3.12Å |
| 68 | T | 96.6 | Very high | 98 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | trans | -135.3 | 153.9 | -174.8 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | P40 R42 L63 F66 | P40-T68 CarbonylContact O-C 3.51Å; P40-T68 WeakPolarHBondContact O-CA 3.37Å; P40-T68 PolarHBondContact O-OG1 2.9Å; R42-T68 WeakPolarHBondContact CG-OG1 2.9Å; L63-T68 WeakPolarHBondContact CB-O 3.23Å; L63-T68 HydrophobicContact CD2-CG2 4.01Å; L63-T68 WeakPolarHBondContact CD2-O 3.35Å; L63-T68 PolarHBondContact O-N 3.09Å; F66-T68 VanDerWaalsContact C-N 3.31Å; F66-T68 HydrophobicContact CB-CG2 4.03Å; F66-T68 PolarHBondContact O-N 3.19Å | ||
| 69 | A | 97.5 | Very high | 98 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 31% | 0.306 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 167.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | P40 R41 R42 | P40-A69 PolarHBondContact O-N 3.46Å; R41-A69 CarbonylContact C-O 3.56Å; R41-A69 VanDerWaalsContact CA-O 3.32Å; R41-A69 WeakPolarHBondContact CA-O 3.4Å; R42-A69 PolarHBondContact N-O 2.81Å |
| 70 | I | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.9 | 172.1 | -61.2 | 167.2 | 0 | 0 | 0 | 108.5 | L35 R41 R42 L44 L59 L63 I73 I89 Y99 | L35-I70 HydrophobicContact CD2-CG1 4.32Å; R41-I70 PolarHBondContact NH2-O 2.71Å; R42-I70 CarbonylContact O-C 3.6Å; R42-I70 WeakPolarHBondContact O-CA 3.45Å; L44-I70 HydrophobicContact CB-CG1 4.39Å; L44-I70 HydrophobicContact CB-CG2 4.04Å; L44-I70 HydrophobicContact CD2-CD1 3.82Å; L59-I70 HydrophobicContact CD2-CD1 4.31Å; L63-I70 HydrophobicContact CD1-CD1 4.23Å; L63-I70 HydrophobicContact CD1-CG1 4.26Å; L63-I70 HydrophobicContact CD2-CG1 3.93Å; I70-I73 HydrophobicContact CG2-CG1 4.03Å; I70-I89 HydrophobicContact CD1-CG2 4.07Å; I70-Y99 HydrophobicContact CB-CD1 4.35Å; I70-Y99 HydrophobicContact CB-CE1 3.65Å; I70-Y99 HydrophobicContact CG2-CD1 3.97Å; I70-Y99 HydrophobicContact CG2-CE1 3.77Å |
| 71 | Q | 97.8 | Very high | 97.9 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -53.1 | 172.2 | -176.2 | 177 | -69.4 | 0 | 0 | 110.6 | R41 R42 K131 T132 | R41-Q71 HydrophobicContact CB-CB 4.01Å; R42-Q71 PolarHBondContact O-N 3.31Å; Q71-K131 PolarHBondContact NE2-O 3.37Å; Q71-T132 PolarHBondContact OE1-OG1 2.62Å |
| 72 | E | 97.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 162.1 | -176.1 | 59.5 | -169.8 | 108.1 | 0 | 0 | 109 | I43 L44 C100 K102 I130 | I43-E72 HydrophobicContact CG1-CG 4.02Å; I43-E72 HydrophobicContact CG2-CG 4.41Å; L44-E72 PolarHBondContact N-O 3.24Å; E72-C100 WeakPolarHBondContact CA-O 3.44Å; E72-C100 HydrophobicContact CB-CB 4.25Å; E72-C100 WeakPolarHBondContact CB-O 3.5Å; E72-K102 WeakPolarHBondContact OE2-CD 3.43Å; E72-K102 WeakPolarHBondContact OE2-CE 3.41Å; E72-K102 IonicContact OE2-NZ 2.91Å; E72-K102 PolarHBondContact OE2-NZ 3.14Å; E72-I130 VanDerWaalsContact CD-CG2 3.46Å; E72-I130 HydrophobicContact CG-CG2 4.37Å; E72-I130 VanDerWaalsContact OE2-CG2 3.28Å; E72-I130 WeakPolarHBondContact OE2-CG2 3.28Å |
| 73 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.6 | -179.4 | -60 | 175.9 | 0 | 0 | 0 | 108.4 | L44 T47 I70 V75 I89 Y99 C100 I101 K102 | L44-I73 HydrophobicContact CB-CG1 4.38Å; L44-I73 HydrophobicContact CD2-CG1 4.38Å; L44-I73 CarbonylContact O-C 3.57Å; L44-I73 WeakPolarHBondContact O-CA 3.24Å; T47-I73 HydrophobicContact CG2-CG2 3.52Å; I70-I73 HydrophobicContact CG2-CG1 4.03Å; I73-V75 HydrophobicContact CG2-CG2 4.09Å; I73-I89 HydrophobicContact CD1-CG2 4.08Å; I73-Y99 HydrophobicContact CD1-CG 4.34Å; I73-C100 PolarHBondContact N-O 2.76Å; I73-I101 HydrophobicContact CB-CG1 4.33Å; I73-I101 HydrophobicContact CB-CG2 4.44Å; I73-I101 HydrophobicContact CD1-CG1 4.41Å; I73-I101 HydrophobicContact CG2-CG2 4.39Å; I73-I101 CarbonylContact O-C 3.45Å; I73-I101 WeakPolarHBondContact O-CA 3.09Å; I73-K102 PolarHBondContact O-N 3.25Å |
| 74 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.7 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | I43 L44 I45 D46 K102 L124 I130 M150 L152 | I43-V74 HydrophobicContact CG2-CB 4.33Å; I43-V74 HydrophobicContact CG2-CG2 3.63Å; L44-V74 PolarHBondContact O-N 2.89Å; I45-V74 CarbonylContact C-O 3.34Å; I45-V74 VanDerWaalsContact CA-O 3.3Å; I45-V74 WeakPolarHBondContact CA-O 3.31Å; D46-V74 PolarHBondContact N-O 3.34Å; V74-K102 CarbonylContact C-O 3.56Å; V74-K102 WeakPolarHBondContact CA-O 3.46Å; V74-K102 HydrophobicContact CG2-CB 4.5Å; V74-L124 HydrophobicContact CG1-CD1 4.43Å; V74-I130 HydrophobicContact CG1-CD1 4.09Å; V74-I130 HydrophobicContact CG2-CD1 3.56Å; V74-M150 HydrophobicContact CG1-CE 3.45Å; V74-M150 VanDerWaalsContact CG1-CE 3.45Å; V74-M150 HydrophobicContact CG1-SD 4.34Å; V74-L152 HydrophobicContact CG1-CD1 3.79Å; V74-L152 HydrophobicContact CG1-CD2 4.26Å |
| 75 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -105.8 | 120.6 | -176.3 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | D46 I73 H77 I86 I101 K102 K103 Y121 M150 | D46-V75 WeakPolarHBondContact OD1-CA 3.42Å; I73-V75 HydrophobicContact CG2-CG2 4.09Å; V75-H77 VanDerWaalsContact C-N 3.34Å; V75-H77 VanDerWaalsContact CG1-O 3.24Å; V75-H77 WeakPolarHBondContact CG1-O 3.43Å; V75-H77 PolarHBondContact O-N 3.3Å; V75-I86 HydrophobicContact CG2-CD1 3.86Å; V75-I86 HydrophobicContact CG2-CG1 4.33Å; V75-I101 HydrophobicContact CG2-CG2 4.37Å; V75-K102 PolarHBondContact N-O 3.44Å; V75-K103 HydrophobicContact CB-CB 4.12Å; V75-K103 WeakPolarHBondContact O-CB 3.36Å; V75-Y121 HydrophobicContact CG2-CE1 4.42Å; V75-M150 WeakPolarHBondContact O-CE 3.35Å | ||
| 76 | T | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -64.1 | -36.7 | -173.4 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | I45 D46 M150 | I45-T76 HydrophobicContact CG2-CG2 3.87Å; D46-T76 VanDerWaalsContact CG-OG1 3.29Å; D46-T76 PolarHBondContact OD1-N 2.99Å; D46-T76 PolarHBondContact OD1-OG1 2.94Å; D46-T76 VanDerWaalsContact OD2-CG2 3.25Å; D46-T76 WeakPolarHBondContact OD2-CG2 3.08Å; D46-T76 PolarHBondContact OD2-OG1 3.36Å; T76-M150 WeakPolarHBondContact O-CG 3.29Å; T76-M150 PolarHBondContact O-N 2.97Å |
| 77 | H | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -166.5 | 173 | 178.4 | 64.2 | -66.7 | 0 | 0 | 0 | 113 | V75 H79 H82 H145 T146 H149 | V75-H77 VanDerWaalsContact C-N 3.34Å; V75-H77 VanDerWaalsContact CG1-O 3.24Å; V75-H77 WeakPolarHBondContact CG1-O 3.43Å; V75-H77 PolarHBondContact O-N 3.3Å; H77-H79 VanDerWaalsContact C-N 3.3Å; H77-H79 AromaticContact CD2-CG 3.47Å; H77-H79 VanDerWaalsContact CD2-CG 3.47Å; H77-H79 AromaticContact CD2-ND1 3.19Å; H77-H79 PolarHBondContact CD2-ND1 3.4Å; H77-H79 WeakPolarHBondContact NE2-CB 3.42Å; H77-H79 AromaticContact NE2-CG 3.41Å; H77-H79 AromaticContact NE2-ND1 2.92Å; H77-H79 PolarHBondContact NE2-ND1 2.85Å; H77-H79 PolarHBondContact O-N 2.89Å; H77-H82 AromaticContact CE1-CD2 3.16Å; H77-H82 PolarHBondContact CE1-CD2 3.43Å; H77-H82 AromaticContact CE1-CE1 3.61Å; H77-H82 AromaticContact CE1-CG 3.38Å; H77-H82 AromaticContact CE1-ND1 3.65Å; H77-H82 AromaticContact CE1-NE2 3.33Å; H77-H82 PolarHBondContact CE1-NE2 2.8Å; H77-H82 VanDerWaalsContact CE1-NE2 3.33Å; H77-H82 AromaticContact ND1-CG 3.83Å; H77-H82 AromaticContact NE2-CD2 3.63Å; H77-H82 AromaticContact NE2-NE2 3.95Å; H77-H145 AromaticContact CD2-CD2 3.59Å; H77-H145 AromaticContact CD2-NE2 3.69Å; H77-H145 AromaticContact NE2-CD2 3.49Å; H77-H145 PolarHBondContact NE2-CD2 2.93Å; H77-H145 AromaticContact NE2-NE2 3.21Å; H77-H145 PolarHBondContact NE2-NE2 3.21Å; H77-T146 WeakPolarHBondContact CB-OG1 3.3Å; H77-H149 HydrophobicContact CB-CB 4.26Å; H77-H149 AromaticContact CG-CD2 3.82Å; H77-H149 AromaticContact ND1-CD2 3.8Å |
| 78 | W | 97.7 | Very high | 97.7 | Very high | 86 Ų | 86 | 24.2 Ų | 24.2 | 33% | 0.326 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -66.6 | -17.7 | -171.5 | 76.6 | -90.4 | 0 | 0 | 0 | 116.6 | S83 R106 D148 | W78-S83 PolarHBondContact O-OG 2.84Å; W78-R106 VanDerWaalsContact CD1-NH1 3.29Å; W78-R106 VanDerWaalsContact CD2-NH1 3.32Å; W78-R106 VanDerWaalsContact CG-CZ 3.49Å; W78-R106 VanDerWaalsContact NE1-NH2 3.16Å; W78-D148 WeakPolarHBondContact CB-OD2 3.46Å; W78-D148 VanDerWaalsContact CD1-OD1 3.32Å; W78-D148 PolarHBondContact N-OD1 3.02Å; W78-D148 PolarHBondContact N-OD2 2.77Å |
| 79 | H | 98 | Very high | 97.7 | Very high | 41 Ų | 41 | 23.6 Ų | 23.6 | 19% | 0.19 | 12% | 0.121 | C | C | . | . | trans | -56.4 | 145.6 | -172.4 | -73.6 | 151.4 | 0 | 0 | 0 | 112.6 | H77 D81 H82 S83 H145 T146 | H77-H79 VanDerWaalsContact C-N 3.3Å; H77-H79 AromaticContact CD2-CG 3.47Å; H77-H79 VanDerWaalsContact CD2-CG 3.47Å; H77-H79 AromaticContact CD2-ND1 3.19Å; H77-H79 PolarHBondContact CD2-ND1 3.4Å; H77-H79 WeakPolarHBondContact NE2-CB 3.42Å; H77-H79 AromaticContact NE2-CG 3.41Å; H77-H79 AromaticContact NE2-ND1 2.92Å; H77-H79 PolarHBondContact NE2-ND1 2.85Å; H77-H79 PolarHBondContact O-N 2.89Å; H79-D81 PolarHBondContact O-N 3.46Å; H79-H82 PolarHBondContact O-N 2.76Å; H79-S83 PolarHBondContact O-N 2.82Å; H79-S83 PolarHBondContact O-OG 2.82Å; H79-H145 AromaticContact CE1-CD2 3.88Å; H79-H145 AromaticContact CE1-CE1 3.65Å; H79-H145 AromaticContact CE1-NE2 3.05Å; H79-H145 PolarHBondContact CE1-NE2 2.89Å; H79-H145 AromaticContact ND1-CD2 3.88Å; H79-H145 AromaticContact ND1-CE1 3.84Å; H79-H145 AromaticContact ND1-NE2 2.96Å; H79-H145 PolarHBondContact ND1-NE2 3.01Å; H79-T146 WeakPolarHBondContact CE1-CG2 3.45Å | ||
| 80 | R | 97 | Very high | 97.5 | Very high | 138 Ų | 138 | 23.9 Ų | 23.9 | 52% | 0.521 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -64.3 | -30.3 | -167.1 | -178.6 | 171.7 | 177.2 | -88.9 | 1.5 | 112.8 | E49 P50 H82 G84 | E49-R80 IonicContact OE1-CZ 2.71Å; E49-R80 IonicContact OE1-NH1 2.68Å; E49-R80 PolarHBondContact OE1-NH1 2.95Å; P50-R80 HydrophobicContact CG-CG 4.07Å; R80-H82 VanDerWaalsContact C-N 3.29Å; R80-G84 WeakPolarHBondContact O-CA 3.48Å; R80-G84 PolarHBondContact O-N 3.43Å |
| 81 | D | 98.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -82.8 | -6 | 179.4 | 66.5 | -59.5 | 0 | 0 | 0 | 113.4 | T27 T31 G48 E49 H79 H199 | T27-D81 HydrophobicContact CG2-CB 4.34Å; T31-D81 VanDerWaalsContact CG2-O 3.32Å; T31-D81 WeakPolarHBondContact CG2-O 3.48Å; T31-D81 PolarHBondContact OG1-O 2.65Å; T31-D81 PolarHBondContact OG1-OD2 3.27Å; T31-D81 VanDerWaalsContact OG1-OD2 3.04Å; G48-D81 VanDerWaalsContact C-C 3.48Å; G48-D81 CarbonylContact C-O 3.58Å; G48-D81 WeakPolarHBondContact CA-O 3.33Å; G48-D81 PolarHBondContact N-O 3.3Å; G48-D81 CarbonylContact O-C 3.4Å; E49-D81 HydrophobicContact CB-CB 4.27Å; E49-D81 PolarHBondContact N-O 3.19Å; H79-D81 PolarHBondContact O-N 3.46Å; D81-H199 IonicContact OD2-CE1 3.12Å; D81-H199 PolarHBondContact OD2-CE1 3.21Å; D81-H199 IonicContact OD2-NE2 3.43Å; D81-H199 PolarHBondContact OD2-NE2 2.97Å |
| 82 | H | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -105.1 | -38.7 | 171.1 | -66.8 | -97.5 | 0 | 0 | 0 | 112.2 | D46 T47 H77 H79 R80 D164 H199 | D46-H82 HydrophobicContact CB-CB 4.28Å; D46-H82 IonicContact OD1-ND1 2.76Å; D46-H82 IonicContact OD2-CE1 2.65Å; D46-H82 IonicContact OD2-CG 2.9Å; D46-H82 IonicContact OD2-ND1 3.27Å; D46-H82 PolarHBondContact OD2-ND1 3.06Å; T47-H82 WeakPolarHBondContact CA-O 3.47Å; T47-H82 PolarHBondContact N-O 2.97Å; T47-H82 PolarHBondContact OG1-O 2.9Å; H77-H82 AromaticContact CE1-CD2 3.16Å; H77-H82 PolarHBondContact CE1-CD2 3.43Å; H77-H82 AromaticContact CE1-CE1 3.61Å; H77-H82 AromaticContact CE1-CG 3.38Å; H77-H82 AromaticContact CE1-ND1 3.65Å; H77-H82 AromaticContact CE1-NE2 3.33Å; H77-H82 PolarHBondContact CE1-NE2 2.8Å; H77-H82 VanDerWaalsContact CE1-NE2 3.33Å; H77-H82 AromaticContact ND1-CG 3.83Å; H77-H82 AromaticContact NE2-CD2 3.63Å; H77-H82 AromaticContact NE2-NE2 3.95Å; H79-H82 PolarHBondContact O-N 2.76Å; R80-H82 VanDerWaalsContact C-N 3.29Å; H82-D164 IonicContact CE1-OD1 3.13Å; H82-D164 PolarHBondContact CE1-OD1 3.33Å; H82-D164 VanDerWaalsContact CE1-OD1 3.24Å; H82-D164 IonicContact NE2-OD1 2.79Å; H82-D164 PolarHBondContact NE2-OD1 3.21Å; H82-D164 IonicContact NE2-OD2 3.14Å; H82-H199 AromaticContact NE2-CE1 3.96Å; H82-H199 AromaticContact NE2-NE2 3.45Å; H82-H199 PolarHBondContact NE2-NE2 2.86Å |
| 83 | S | 97.7 | Very high | 97.1 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -101.1 | -13.6 | -175.3 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | T47 W78 H79 I86 | T47-S83 VanDerWaalsContact OG1-C 3.29Å; T47-S83 PolarHBondContact OG1-O 2.83Å; W78-S83 PolarHBondContact O-OG 2.84Å; H79-S83 PolarHBondContact O-N 2.82Å; H79-S83 PolarHBondContact O-OG 2.82Å; S83-I86 WeakPolarHBondContact O-CD1 3.24Å; S83-I86 WeakPolarHBondContact O-CG1 3.28Å |
| 84 | G | 96.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -37.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114 | G48 P50 R80 I86 | G48-G84 PolarHBondContact O-N 3Å; P50-G84 WeakPolarHBondContact CB-O 3.32Å; R80-G84 WeakPolarHBondContact O-CA 3.48Å; R80-G84 PolarHBondContact O-N 3.43Å; G84-I86 PolarHBondContact O-N 3.22Å |
| 85 | G | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T47 G48 G87 D88 I89 | T47-G85 VanDerWaalsContact O-CA 3.28Å; T47-G85 WeakPolarHBondContact O-CA 3.32Å; T47-G85 PolarHBondContact OG1-N 3.43Å; G48-G85 PolarHBondContact O-N 2.75Å; G85-G87 VanDerWaalsContact C-N 3.26Å; G85-G87 PolarHBondContact O-N 2.95Å; G85-D88 PolarHBondContact O-N 2.83Å; G85-D88 VanDerWaalsContact O-N 3.09Å; G85-I89 WeakPolarHBondContact O-CG1 3.05Å; G85-I89 PolarHBondContact O-N 2.96Å |
| 86 | I | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -50.5 | -47.6 | 176.4 | -62.5 | 163.3 | 0 | 0 | 0 | 111.2 | T47 V75 S83 G84 D88 I89 C90 I101 I114 Y121 | T47-I86 HydrophobicContact CG2-CG1 3.64Å; T47-I86 PolarHBondContact OG1-N 3.47Å; V75-I86 HydrophobicContact CG2-CD1 3.86Å; V75-I86 HydrophobicContact CG2-CG1 4.33Å; S83-I86 WeakPolarHBondContact O-CD1 3.24Å; S83-I86 WeakPolarHBondContact O-CG1 3.28Å; G84-I86 PolarHBondContact O-N 3.22Å; I86-D88 VanDerWaalsContact C-N 3.32Å; I86-D88 PolarHBondContact O-N 3.19Å; I86-I89 PolarHBondContact O-N 2.92Å; I86-C90 WeakPolarHBondContact O-CB 3.28Å; I86-C90 PolarHBondContact O-N 3.42Å; I86-C90 PolarHBondContact O-SG 2.84Å; I86-I101 HydrophobicContact CD1-CG2 4.02Å; I86-I101 HydrophobicContact CG2-CD1 3.54Å; I86-I101 HydrophobicContact CG2-CG1 4.19Å; I86-I101 HydrophobicContact CG2-CG2 4.5Å; I86-I114 HydrophobicContact CB-CG2 4.06Å; I86-I114 HydrophobicContact CD1-CG2 4.43Å; I86-I114 HydrophobicContact CG2-CG2 3.44Å; I86-I114 VanDerWaalsContact CG2-CG2 3.44Å; I86-Y121 HydrophobicContact CD1-CE1 3.95Å; I86-Y121 WeakPolarHBondContact CD1-OH 3.31Å |
| 87 | G | 95.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G85 K91 | G85-G87 VanDerWaalsContact C-N 3.26Å; G85-G87 PolarHBondContact O-N 2.95Å; G87-K91 WeakPolarHBondContact O-CB 3.4Å; G87-K91 WeakPolarHBondContact O-CD 3.45Å; G87-K91 VanDerWaalsContact O-CG 3.24Å; G87-K91 WeakPolarHBondContact O-CG 3.21Å; G87-K91 PolarHBondContact O-N 2.82Å; G87-K91 VanDerWaalsContact O-N 3.14Å |
| 88 | D | 95.8 | Very high | 94.2 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.8 | -36.9 | -179.7 | -61.3 | -37 | 0 | 0 | 0 | 111.7 | P50 A51 I56 G85 I86 K91 S92 | P50-D88 WeakPolarHBondContact CA-OD2 3.48Å; A51-D88 PolarHBondContact N-OD2 3.13Å; I56-D88 HydrophobicContact CD1-CB 3.76Å; I56-D88 HydrophobicContact CG1-CB 4.07Å; G85-D88 PolarHBondContact O-N 2.83Å; G85-D88 VanDerWaalsContact O-N 3.09Å; I86-D88 VanDerWaalsContact C-N 3.32Å; I86-D88 PolarHBondContact O-N 3.19Å; D88-K91 PolarHBondContact O-N 3.34Å; D88-S92 WeakPolarHBondContact O-CB 3.3Å; D88-S92 PolarHBondContact O-N 3.41Å; D88-S92 PolarHBondContact O-OG 2.83Å |
| 89 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -52.5 | 172.7 | -68.6 | 165.4 | 0 | 0 | 0 | 110 | L44 T47 Y55 I56 L59 I70 I73 G85 I86 K91 S92 I93 Y99 | L44-I89 HydrophobicContact CD2-CD1 3.71Å; T47-I89 HydrophobicContact CG2-CD1 3.61Å; Y55-I89 HydrophobicContact CE1-CD1 4.2Å; Y55-I89 HydrophobicContact CE1-CG1 4.43Å; I56-I89 HydrophobicContact CD1-CG1 3.91Å; L59-I89 HydrophobicContact CD2-CD1 4Å; L59-I89 HydrophobicContact CD2-CG1 3.89Å; I70-I89 HydrophobicContact CD1-CG2 4.07Å; I73-I89 HydrophobicContact CD1-CG2 4.08Å; G85-I89 WeakPolarHBondContact O-CG1 3.05Å; G85-I89 PolarHBondContact O-N 2.96Å; I86-I89 PolarHBondContact O-N 2.92Å; I89-K91 PolarHBondContact O-N 2.92Å; I89-S92 PolarHBondContact O-N 2.8Å; I89-I93 HydrophobicContact CG2-CD1 4.33Å; I89-I93 PolarHBondContact O-N 3.42Å; I89-Y99 HydrophobicContact CG2-CE2 4.11Å |
| 90 | C | 94.6 | Very high | 94 | Very high | 42 Ų | 42 | 53 Ų | 53 | 28% | 0.284 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.3 | -36.7 | 179.3 | -71.8 | 0 | 0 | 0 | 0 | 112.7 | I86 | I86-C90 WeakPolarHBondContact O-CB 3.28Å; I86-C90 PolarHBondContact O-N 3.42Å; I86-C90 PolarHBondContact O-SG 2.84Å |
| 91 | K | 93.5 | Very high | 94 | Very high | 147 Ų | 147 | 46.5 Ų | 46.5 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -77.9 | -35 | 178.4 | -72.6 | 170.5 | -174.5 | 172.8 | 0 | 113.4 | G87 D88 I89 | G87-K91 WeakPolarHBondContact O-CB 3.4Å; G87-K91 WeakPolarHBondContact O-CD 3.45Å; G87-K91 VanDerWaalsContact O-CG 3.24Å; G87-K91 WeakPolarHBondContact O-CG 3.21Å; G87-K91 PolarHBondContact O-N 2.82Å; G87-K91 VanDerWaalsContact O-N 3.14Å; D88-K91 PolarHBondContact O-N 3.34Å; I89-K91 PolarHBondContact O-N 2.92Å |
| 92 | S | 95.4 | Very high | 94.1 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -105.6 | -20.4 | -164.2 | -55.6 | 0 | 0 | 0 | 0 | 114.3 | K60 D88 I89 | K60-S92 WeakPolarHBondContact CE-O 3.34Å; K60-S92 PolarHBondContact NZ-O 2.77Å; D88-S92 WeakPolarHBondContact O-CB 3.3Å; D88-S92 PolarHBondContact O-N 3.41Å; D88-S92 PolarHBondContact O-OG 2.83Å; I89-S92 PolarHBondContact O-N 2.8Å |
| 93 | I | 95.7 | Very high | 94 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -119.1 | 103.3 | -175.1 | -56.1 | -177.1 | 0 | 0 | 0 | 108.4 | L59 K60 L63 I89 N95 Y99 | L59-I93 HydrophobicContact CB-CD1 4.26Å; L59-I93 HydrophobicContact CD2-CD1 3.46Å; L59-I93 VanDerWaalsContact CD2-CD1 3.46Å; L59-I93 HydrophobicContact CG-CD1 3.69Å; K60-I93 HydrophobicContact CG-CD1 4.23Å; K60-I93 HydrophobicContact CG-CG1 4.05Å; L63-I93 HydrophobicContact CD1-CD1 4.08Å; L63-I93 HydrophobicContact CD1-CG2 3.66Å; I89-I93 HydrophobicContact CG2-CD1 4.33Å; I89-I93 PolarHBondContact O-N 3.42Å; I93-N95 PolarHBondContact O-N 3.44Å; I93-Y99 WeakPolarHBondContact CG2-OH 3.43Å; I93-Y99 PolarHBondContact O-OH 2.91Å |
| 94 | N | 85.9 | Confident | 94.1 | Very high | 159 Ų | 159 | 46.6 Ų | 46.6 | 85% | 0.85 | 27% | 0.265 | S | S | * | . | trans | -57.6 | 136.6 | 179.9 | -68.6 | -3.2 | 0 | 0 | 0 | 111 | ||||
| 95 | N | 85.4 | Confident | 94.1 | Very high | 37 Ų | 37 | 48 Ų | 48 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | trans | -136.4 | 151.6 | 167 | -173 | 30.6 | 0 | 0 | 0 | 107.8 | R41 I93 T97 Y99 | R41-N95 PolarHBondContact NH2-OD1 2.83Å; I93-N95 PolarHBondContact O-N 3.44Å; N95-T97 WeakPolarHBondContact CB-O 3.3Å; N95-T97 PolarHBondContact ND2-O 3.42Å; N95-T97 PolarHBondContact O-N 2.76Å; N95-Y99 HydrophobicContact CB-CD1 4.27Å; N95-Y99 HydrophobicContact CB-CE1 3.54Å; N95-Y99 HydrophobicContact CB-CE2 4.05Å; N95-Y99 VanDerWaalsContact CB-CZ 3.44Å; N95-Y99 WeakPolarHBondContact CB-OH 3.34Å; N95-Y99 VanDerWaalsContact ND2-CD1 3.35Å; N95-Y99 WeakPolarHBondContact ND2-CD1 3.24Å; N95-Y99 VanDerWaalsContact ND2-CE1 3.31Å; N95-Y99 WeakPolarHBondContact ND2-CE1 3.3Å | ||
| 96 | D | 84.7 | Confident | 94.1 | Very high | 148 Ų | 148 | 48.9 Ų | 48.9 | 79% | 0.791 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -63.4 | -25.2 | -179 | -56.3 | -44.4 | 0 | 0 | 0 | 111.9 | R41 | R41-D96 IonicContact NH1-OD2 3.44Š|
| 97 | T | 86.3 | Confident | 94.1 | Very high | 96 Ų | 96 | 54 Ų | 54 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -134.8 | 162.2 | -179.3 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | N95 Y99 | N95-T97 WeakPolarHBondContact CB-O 3.3Å; N95-T97 PolarHBondContact ND2-O 3.42Å; N95-T97 PolarHBondContact O-N 2.76Å; T97-Y99 PolarHBondContact O-N 2.8Å |
| 98 | T | 90.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 64% | 0.644 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -51 | 130.3 | 165.7 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 99 | Y | 94.8 | Very high | 94 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 135.2 | 176.2 | -68.7 | -66.7 | 0 | 0 | 0 | 111.1 | I70 I73 I89 I93 N95 T97 Q119 | I70-Y99 HydrophobicContact CB-CD1 4.35Å; I70-Y99 HydrophobicContact CB-CE1 3.65Å; I70-Y99 HydrophobicContact CG2-CD1 3.97Å; I70-Y99 HydrophobicContact CG2-CE1 3.77Å; I73-Y99 HydrophobicContact CD1-CG 4.34Å; I89-Y99 HydrophobicContact CG2-CE2 4.11Å; I93-Y99 WeakPolarHBondContact CG2-OH 3.43Å; I93-Y99 PolarHBondContact O-OH 2.91Å; N95-Y99 HydrophobicContact CB-CD1 4.27Å; N95-Y99 HydrophobicContact CB-CE1 3.54Å; N95-Y99 HydrophobicContact CB-CE2 4.05Å; N95-Y99 VanDerWaalsContact CB-CZ 3.44Å; N95-Y99 WeakPolarHBondContact CB-OH 3.34Å; N95-Y99 VanDerWaalsContact ND2-CD1 3.35Å; N95-Y99 WeakPolarHBondContact ND2-CD1 3.24Å; N95-Y99 VanDerWaalsContact ND2-CE1 3.31Å; N95-Y99 WeakPolarHBondContact ND2-CE1 3.3Å; T97-Y99 PolarHBondContact O-N 2.8Å; Y99-Q119 PolarHBondContact O-OE1 2.94Å |
| 100 | C | 96.3 | Very high | 93.8 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -78 | 122.1 | 163.7 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | E72 I73 | E72-C100 WeakPolarHBondContact CA-O 3.44Å; E72-C100 HydrophobicContact CB-CB 4.25Å; E72-C100 WeakPolarHBondContact CB-O 3.5Å; I73-C100 PolarHBondContact N-O 2.76Å |
| 101 | I | 97.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.6 | -177 | -56.6 | 151.5 | 0 | 0 | 0 | 107.8 | I73 V75 I86 I114 Q119 Y121 V122 | I73-I101 HydrophobicContact CB-CG1 4.33Å; I73-I101 HydrophobicContact CB-CG2 4.44Å; I73-I101 HydrophobicContact CD1-CG1 4.41Å; I73-I101 HydrophobicContact CG2-CG2 4.39Å; I73-I101 CarbonylContact O-C 3.45Å; I73-I101 WeakPolarHBondContact O-CA 3.09Å; V75-I101 HydrophobicContact CG2-CG2 4.37Å; I86-I101 HydrophobicContact CD1-CG2 4.02Å; I86-I101 HydrophobicContact CG2-CD1 3.54Å; I86-I101 HydrophobicContact CG2-CG1 4.19Å; I86-I101 HydrophobicContact CG2-CG2 4.5Å; I101-I114 HydrophobicContact CB-CD1 4.31Å; I101-I114 HydrophobicContact CD1-CD1 3.88Å; I101-I114 HydrophobicContact CG2-CD1 4.04Å; I101-Q119 HydrophobicContact CD1-CB 3.89Å; I101-Q119 HydrophobicContact CD1-CG 3.98Å; I101-Q119 VanDerWaalsContact CD1-OE1 3.31Å; I101-Y121 HydrophobicContact CG2-CD1 3.76Å; I101-Y121 HydrophobicContact CG2-CE1 3.72Å; I101-Y121 CarbonylContact O-C 3.59Å; I101-Y121 WeakPolarHBondContact O-CA 3.28Å; I101-V122 PolarHBondContact O-N 3.09Å |
| 102 | K | 98.5 | Very high | 93.5 | Very high | 39 Ų | 39 | 70 Ų | 70 | 17% | 0.17 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.6 | -171.7 | -67.2 | 178.5 | 176.3 | 172.1 | 0 | 111.8 | E72 I73 V74 V75 V122 L124 I130 | E72-K102 WeakPolarHBondContact OE2-CD 3.43Å; E72-K102 WeakPolarHBondContact OE2-CE 3.41Å; E72-K102 IonicContact OE2-NZ 2.91Å; E72-K102 PolarHBondContact OE2-NZ 3.14Å; I73-K102 PolarHBondContact O-N 3.25Å; V74-K102 CarbonylContact C-O 3.56Å; V74-K102 WeakPolarHBondContact CA-O 3.46Å; V74-K102 HydrophobicContact CG2-CB 4.5Å; V75-K102 PolarHBondContact N-O 3.44Å; K102-V122 VanDerWaalsContact CA-O 3.29Å; K102-V122 WeakPolarHBondContact CA-O 3.37Å; K102-V122 HydrophobicContact CG-CB 4.06Å; K102-V122 HydrophobicContact CG-CG1 4.34Å; K102-L124 HydrophobicContact CB-CD1 3.71Å; K102-L124 HydrophobicContact CB-CG 3.98Å; K102-L124 HydrophobicContact CD-CD2 4.11Å; K102-L124 HydrophobicContact CD-CG 4.45Å; K102-I130 HydrophobicContact CD-CD1 4.26Å |
| 103 | K | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 176 | 166.4 | 78.3 | 156.1 | -158.6 | -73.9 | 0 | 112.6 | V75 E112 Y121 V122 Y123 L124 D148 M150 | V75-K103 HydrophobicContact CB-CB 4.12Å; V75-K103 WeakPolarHBondContact O-CB 3.36Å; K103-E112 WeakPolarHBondContact CE-OE1 3.43Å; K103-E112 WeakPolarHBondContact CE-OE2 3.47Å; K103-E112 IonicContact NZ-OE1 2.77Å; K103-E112 PolarHBondContact NZ-OE1 3.19Å; K103-E112 IonicContact NZ-OE2 3.64Å; K103-E112 PolarHBondContact NZ-OE2 2.88Å; K103-Y121 HydrophobicContact CB-CD1 4.35Å; K103-Y121 HydrophobicContact CD-CD1 4.25Å; K103-Y121 HydrophobicContact CD-CE1 4.15Å; K103-Y121 HydrophobicContact CG-CD1 3.68Å; K103-Y121 HydrophobicContact CG-CE1 4.04Å; K103-Y121 HydrophobicContact CG-CG 4.01Å; K103-V122 PolarHBondContact N-O 2.97Å; K103-Y123 HydrophobicContact CG-CD1 4.44Å; K103-Y123 HydrophobicContact CG-CE1 4.3Å; K103-Y123 CarbonylContact O-C 3.58Å; K103-Y123 VanDerWaalsContact O-CA 3.27Å; K103-Y123 WeakPolarHBondContact O-CA 3.24Å; K103-L124 PolarHBondContact O-N 2.91Å; K103-D148 WeakPolarHBondContact CE-OD2 3.39Å; K103-M150 HydrophobicContact CB-CE 4.19Å |
| 104 | L | 98.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 72.7 Ų | 72.7 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 149.6 | 167.7 | -66.7 | -177.3 | 0 | 0 | 0 | 111.6 | L124 V139 Y141 D148 M150 | L104-L124 HydrophobicContact CD2-CB 3.93Å; L104-L124 VanDerWaalsContact CD2-O 3.28Å; L104-L124 WeakPolarHBondContact CD2-O 3.45Å; L104-V139 HydrophobicContact CD2-CG1 4.06Å; L104-V139 HydrophobicContact CG-CG1 4.47Å; L104-Y141 HydrophobicContact CD1-CD2 3.29Å; L104-Y141 HydrophobicContact CD1-CE2 4.03Å; L104-Y141 HydrophobicContact CD1-CG 4.03Å; L104-D148 HydrophobicContact CB-CB 4.46Å; L104-D148 WeakPolarHBondContact CB-O 3.49Å; L104-M150 HydrophobicContact CD1-CB 3.65Å; L104-M150 HydrophobicContact CD1-CG 4.45Å; L104-M150 HydrophobicContact CG-CB 4.08Å; L104-M150 HydrophobicContact CG-CG 4.4Å; L104-M150 HydrophobicContact CG-SD 4.21Å |
| 105 | P | 97.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 67.9 Ų | 67.9 | 31% | 0.312 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 151.5 | 175.5 | 31 | -34.1 | 0 | 0 | 0 | 112 | Y123 | P105-Y123 HydrophobicContact CB-CD1 3.67Å; P105-Y123 HydrophobicContact CB-CD2 4.41Å; P105-Y123 HydrophobicContact CB-CE1 3.88Å; P105-Y123 HydrophobicContact CB-CG 3.96Å; P105-Y123 HydrophobicContact CG-CD1 4.36Å; P105-Y123 HydrophobicContact CG-CG 4.48Å |
| 106 | R | 97.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 8% | 0.075 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 153.8 | 168 | -54.9 | -59.5 | -57.6 | -95.4 | 4.5 | 111.7 | W78 P108 Q109 R110 E112 D147 D148 | W78-R106 VanDerWaalsContact CD1-NH1 3.29Å; W78-R106 VanDerWaalsContact CD2-NH1 3.32Å; W78-R106 VanDerWaalsContact CG-CZ 3.49Å; W78-R106 VanDerWaalsContact NE1-NH2 3.16Å; R106-P108 CarbonylContact C-O 3.59Å; R106-P108 CarbonylContact O-C 3.55Å; R106-Q109 VanDerWaalsContact O-CA 3.26Å; R106-Q109 WeakPolarHBondContact O-CA 3.33Å; R106-Q109 PolarHBondContact O-N 3.33Å; R106-R110 HydrophobicContact CB-CG 3.78Å; R106-R110 HydrophobicContact CG-CG 3.68Å; R106-E112 VanDerWaalsContact CG-CD 3.41Å; R106-E112 HydrophobicContact CG-CG 4.15Å; R106-E112 WeakPolarHBondContact CG-OE2 3.45Å; R106-D147 IonicContact CZ-OD1 3.96Å; R106-D147 IonicContact CZ-OD2 2.74Å; R106-D147 VanDerWaalsContact NE-CG 3.34Å; R106-D147 IonicContact NE-OD1 3.72Å; R106-D147 PolarHBondContact NE-OD1 3.14Å; R106-D147 IonicContact NE-OD2 2.74Å; R106-D147 PolarHBondContact NE-OD2 3.45Å; R106-D147 VanDerWaalsContact NE-OD2 3.16Å; R106-D147 IonicContact NH2-OD1 3.52Å; R106-D147 PolarHBondContact NH2-OD1 2.75Å; R106-D147 IonicContact NH2-OD2 3.79Å; R106-D148 WeakPolarHBondContact CD-OD2 3.21Å |
| 107 | N | 95.4 | Very high | 92.8 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 57% | 0.572 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -135.2 | 106.8 | 175.8 | -174.6 | 17.7 | 0 | 0 | 0 | 111.1 | D147 | N107-D147 HydrophobicContact CB-CB 4.32Å; N107-D147 PolarHBondContact N-OD2 3.15Å; N107-D147 WeakPolarHBondContact O-CB 3.34Å |
| 108 | P | 95.5 | Very high | 92.6 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | S | Bend | cis | -68.7 | 152.1 | 5.4 | 28.9 | -36.1 | 0 | 0 | 0 | 112.4 | R106 R110 | R106-P108 CarbonylContact C-O 3.59Å; R106-P108 CarbonylContact O-C 3.55Å; P108-R110 PolarHBondContact O-N 3.49Å |
| 109 | Q | 93.1 | Very high | 92.5 | Very high | 165 Ų | 165 | 66.8 Ų | 66.8 | 77% | 0.771 | 36% | 0.359 | S | S | * | . | trans | -56.1 | 130.1 | 179.9 | -174.1 | 176.4 | -6.5 | 0 | 0 | 110.5 | R106 | R106-Q109 VanDerWaalsContact O-CA 3.26Å; R106-Q109 WeakPolarHBondContact O-CA 3.33Å; R106-Q109 PolarHBondContact O-N 3.33Å | ||
| 110 | R | 93.3 | Very high | 92.4 | Very high | 121 Ų | 121 | 73.9 Ų | 73.9 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | trans | -141.2 | 153.7 | 172.7 | 68.1 | -167.1 | 74.7 | -178.1 | 9.4 | 109 | R106 P108 D147 | R106-R110 HydrophobicContact CB-CG 3.78Å; R106-R110 HydrophobicContact CG-CG 3.68Å; P108-R110 PolarHBondContact O-N 3.49Å; R110-D147 IonicContact NH2-OD2 3.16Å | ||
| 111 | E | 89.4 | Confident | 92.4 | Very high | 171 Ų | 171 | 72.8 Ų | 72.8 | 80% | 0.799 | 38% | 0.381 | S | S | * | . | trans | -69.6 | 138.3 | 176.1 | -173.3 | 175.8 | -171.6 | 0 | 0 | 110.4 | I113 | E111-I113 HydrophobicContact CG-CG1 4.33Š| ||
| 112 | E | 93.8 | Very high | 92.4 | Very high | 35 Ų | 35 | 76.3 Ų | 76.3 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | trans | -129.7 | 117.3 | 176.2 | -69.9 | 171.3 | 88 | 0 | 0 | 109.2 | K103 R106 Y121 | K103-E112 WeakPolarHBondContact CE-OE1 3.43Å; K103-E112 WeakPolarHBondContact CE-OE2 3.47Å; K103-E112 IonicContact NZ-OE1 2.77Å; K103-E112 PolarHBondContact NZ-OE1 3.19Å; K103-E112 IonicContact NZ-OE2 3.64Å; K103-E112 PolarHBondContact NZ-OE2 2.88Å; R106-E112 VanDerWaalsContact CG-CD 3.41Å; R106-E112 HydrophobicContact CG-CG 4.15Å; R106-E112 WeakPolarHBondContact CG-OE2 3.45Å; E112-Y121 HydrophobicContact CB-CD2 4.09Å; E112-Y121 HydrophobicContact CB-CE2 3.85Å | ||
| 113 | I | 91.3 | Very high | 92.4 | Very high | 111 Ų | 111 | 78.5 Ų | 78.5 | 57% | 0.569 | 41% | 0.411 | S | S | * | . | trans | -94.5 | 127.7 | -173.5 | -59.1 | 174.7 | 0 | 0 | 0 | 108.8 | E111 | E111-I113 HydrophobicContact CG-CG1 4.33Š| ||
| 114 | I | 91.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 118.6 | 172 | -56 | 177.6 | 0 | 0 | 0 | 108.5 | I86 I101 N116 G117 Q119 Y121 | I86-I114 HydrophobicContact CB-CG2 4.06Å; I86-I114 HydrophobicContact CD1-CG2 4.43Å; I86-I114 HydrophobicContact CG2-CG2 3.44Å; I86-I114 VanDerWaalsContact CG2-CG2 3.44Å; I101-I114 HydrophobicContact CB-CD1 4.31Å; I101-I114 HydrophobicContact CD1-CD1 3.88Å; I101-I114 HydrophobicContact CG2-CD1 4.04Å; I114-N116 PolarHBondContact O-N 3.39Å; I114-G117 PolarHBondContact O-N 2.73Å; I114-Q119 HydrophobicContact CB-CB 3.85Å; I114-Q119 HydrophobicContact CD1-CB 4.11Å; I114-Q119 HydrophobicContact CG2-CB 3.75Å; I114-Y121 HydrophobicContact CD1-CD1 3.76Å; I114-Y121 HydrophobicContact CD1-CD2 3.89Å; I114-Y121 HydrophobicContact CD1-CE1 3.64Å; I114-Y121 HydrophobicContact CD1-CE2 3.77Å; I114-Y121 HydrophobicContact CD1-CG 3.89Å; I114-Y121 HydrophobicContact CG1-CD1 4.5Å; I114-Y121 HydrophobicContact CG1-CD2 3.92Å; I114-Y121 HydrophobicContact CG1-CE1 4.09Å; I114-Y121 HydrophobicContact CG1-CE2 3.44Å; I114-Y121 VanDerWaalsContact CG1-CE2 3.44Å; I114-Y121 HydrophobicContact CG1-CG 4.43Å |
| 115 | G | 81.3 | Confident | 92.4 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | -122.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G117 | G115-G117 VanDerWaalsContact C-N 3.35Š|
| 116 | N | 81.5 | Confident | 92.4 | Very high | 134 Ų | 134 | 88.6 Ų | 88.6 | 72% | 0.717 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12 | 178.2 | -64.5 | -23.5 | 0 | 0 | 0 | 113.7 | I114 | I114-N116 PolarHBondContact O-N 3.39Š|
| 117 | G | 85.4 | Confident | 92.4 | Very high | 42 Ų | 42 | 89.1 Ų | 89.1 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 9.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I114 G115 Q119 | I114-G117 PolarHBondContact O-N 2.73Å; G115-G117 VanDerWaalsContact C-N 3.35Å; G117-Q119 PolarHBondContact O-N 3.25Å |
| 118 | E | 83.3 | Confident | 92.6 | Very high | 154 Ų | 154 | 87 Ų | 87 | 72% | 0.72 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.1 | 176.4 | -65.2 | 167.1 | -159.7 | 0 | 0 | 112.9 | ||
| 119 | Q | 88.2 | Confident | 92.8 | Very high | 34 Ų | 34 | 85.6 Ų | 85.6 | 16% | 0.159 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -125.6 | 148.7 | -177.7 | -73.5 | -81.6 | 1.3 | 0 | 0 | 109.4 | Y99 I101 I114 G117 | Y99-Q119 PolarHBondContact O-OE1 2.94Å; I101-Q119 HydrophobicContact CD1-CB 3.89Å; I101-Q119 HydrophobicContact CD1-CG 3.98Å; I101-Q119 VanDerWaalsContact CD1-OE1 3.31Å; I114-Q119 HydrophobicContact CB-CB 3.85Å; I114-Q119 HydrophobicContact CD1-CB 4.11Å; I114-Q119 HydrophobicContact CG2-CB 3.75Å; G117-Q119 PolarHBondContact O-N 3.25Å |
| 120 | Q | 93 | Very high | 93 | Very high | 160 Ų | 160 | 77.9 Ų | 77.9 | 75% | 0.748 | 41% | 0.409 | S | S | * | . | trans | -129.3 | 147.5 | 177.6 | -67.2 | -175.9 | -9.5 | 0 | 0 | 110.6 | ||||
| 121 | Y | 96.6 | Very high | 93.3 | Very high | 26 Ų | 26 | 78.6 Ų | 78.6 | 10% | 0.102 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 131.7 | 171.3 | -68.4 | -69.8 | 0 | 0 | 0 | 110.7 | V75 I86 I101 K103 E112 I114 | V75-Y121 HydrophobicContact CG2-CE1 4.42Å; I86-Y121 HydrophobicContact CD1-CE1 3.95Å; I86-Y121 WeakPolarHBondContact CD1-OH 3.31Å; I101-Y121 HydrophobicContact CG2-CD1 3.76Å; I101-Y121 HydrophobicContact CG2-CE1 3.72Å; I101-Y121 CarbonylContact O-C 3.59Å; I101-Y121 WeakPolarHBondContact O-CA 3.28Å; K103-Y121 HydrophobicContact CB-CD1 4.35Å; K103-Y121 HydrophobicContact CD-CD1 4.25Å; K103-Y121 HydrophobicContact CD-CE1 4.15Å; K103-Y121 HydrophobicContact CG-CD1 3.68Å; K103-Y121 HydrophobicContact CG-CE1 4.04Å; K103-Y121 HydrophobicContact CG-CG 4.01Å; E112-Y121 HydrophobicContact CB-CD2 4.09Å; E112-Y121 HydrophobicContact CB-CE2 3.85Å; I114-Y121 HydrophobicContact CD1-CD1 3.76Å; I114-Y121 HydrophobicContact CD1-CD2 3.89Å; I114-Y121 HydrophobicContact CD1-CE1 3.64Å; I114-Y121 HydrophobicContact CD1-CE2 3.77Å; I114-Y121 HydrophobicContact CD1-CG 3.89Å; I114-Y121 HydrophobicContact CG1-CD1 4.5Å; I114-Y121 HydrophobicContact CG1-CD2 3.92Å; I114-Y121 HydrophobicContact CG1-CE1 4.09Å; I114-Y121 HydrophobicContact CG1-CE2 3.44Å; I114-Y121 VanDerWaalsContact CG1-CE2 3.44Å; I114-Y121 HydrophobicContact CG1-CG 4.43Å |
| 122 | V | 97.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 108.7 | 161.2 | 176.2 | 0 | 0 | 0 | 0 | 107.3 | I101 K102 K103 L124 | I101-V122 PolarHBondContact O-N 3.09Å; K102-V122 VanDerWaalsContact CA-O 3.29Å; K102-V122 WeakPolarHBondContact CA-O 3.37Å; K102-V122 HydrophobicContact CG-CB 4.06Å; K102-V122 HydrophobicContact CG-CG1 4.34Å; K103-V122 PolarHBondContact N-O 2.97Å; V122-L124 PolarHBondContact O-N 3.41Å |
| 123 | Y | 97.7 | Very high | 93.9 | Very high | 86 Ų | 86 | 75 Ų | 75 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.6 | -175.1 | -69.5 | -58.8 | 0 | 0 | 0 | 112.8 | K103 P105 | K103-Y123 HydrophobicContact CG-CD1 4.44Å; K103-Y123 HydrophobicContact CG-CE1 4.3Å; K103-Y123 CarbonylContact O-C 3.58Å; K103-Y123 VanDerWaalsContact O-CA 3.27Å; K103-Y123 WeakPolarHBondContact O-CA 3.24Å; P105-Y123 HydrophobicContact CB-CD1 3.67Å; P105-Y123 HydrophobicContact CB-CD2 4.41Å; P105-Y123 HydrophobicContact CB-CE1 3.88Å; P105-Y123 HydrophobicContact CB-CG 3.96Å; P105-Y123 HydrophobicContact CG-CD1 4.36Å; P105-Y123 HydrophobicContact CG-CG 4.48Å |
| 124 | L | 98.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | trans | -88.2 | 171.3 | 173.6 | -70.1 | 166.4 | 0 | 0 | 0 | 111.2 | V74 K102 K103 L104 V122 D128 I130 V139 M150 | V74-L124 HydrophobicContact CG1-CD1 4.43Å; K102-L124 HydrophobicContact CB-CD1 3.71Å; K102-L124 HydrophobicContact CB-CG 3.98Å; K102-L124 HydrophobicContact CD-CD2 4.11Å; K102-L124 HydrophobicContact CD-CG 4.45Å; K103-L124 PolarHBondContact O-N 2.91Å; L104-L124 HydrophobicContact CD2-CB 3.93Å; L104-L124 VanDerWaalsContact CD2-O 3.28Å; L104-L124 WeakPolarHBondContact CD2-O 3.45Å; V122-L124 PolarHBondContact O-N 3.41Å; L124-D128 WeakPolarHBondContact CA-OD2 2.9Å; L124-D128 HydrophobicContact CD2-CB 4Å; L124-I130 HydrophobicContact CD1-CD1 3.79Å; L124-I130 HydrophobicContact CD2-CD1 4.21Å; L124-I130 HydrophobicContact CD2-CG1 4.34Å; L124-V139 HydrophobicContact CB-CG2 4.48Å; L124-V139 HydrophobicContact CD1-CG2 3.93Å; L124-V139 HydrophobicContact CD2-CG2 4.38Å; L124-M150 HydrophobicContact CD1-CE 4.04Å; L124-M150 HydrophobicContact CD1-SD 4.13Å | ||
| 125 | K | 98.4 | Very high | 94.6 | Very high | 151 Ų | 151 | 70.8 Ų | 70.8 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | trans | -131.7 | 163 | 170.6 | -60 | 178.6 | -175.9 | 175 | 0 | 110.7 | G127 D128 V139 | K125-G127 PolarHBondContact O-N 3Å; K125-D128 PolarHBondContact N-OD2 3.01Å; K125-D128 WeakPolarHBondContact O-CB 3.32Å; K125-D128 PolarHBondContact O-N 2.83Å; K125-V139 WeakPolarHBondContact O-CG1 3.37Å | ||
| 126 | D | 98.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 69 Ų | 69 | 57% | 0.567 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.3 | 170.8 | -171.5 | 46.8 | 0 | 0 | 0 | 111.2 | D128 L140 Y141 | D126-D128 VanDerWaalsContact C-N 3.28Å; D126-D128 PolarHBondContact O-N 2.82Å; D126-L140 WeakPolarHBondContact OD1-CA 3.49Å; D126-Y141 PolarHBondContact OD1-N 3.27Å |
| 127 | G | 98.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 62.6 Ų | 62.6 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -6.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K125 V139 | K125-G127 PolarHBondContact O-N 3Å; G127-V139 WeakPolarHBondContact CA-O 3.42Å; G127-V139 PolarHBondContact N-O 2.9Å |
| 128 | D | 98.8 | Very high | 96.9 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -57.2 | 150.3 | 172.7 | -80.7 | -13.2 | 0 | 0 | 0 | 110.9 | L124 K125 D126 R138 V139 | L124-D128 WeakPolarHBondContact CA-OD2 2.9Å; L124-D128 HydrophobicContact CD2-CB 4Å; K125-D128 PolarHBondContact N-OD2 3.01Å; K125-D128 WeakPolarHBondContact O-CB 3.32Å; K125-D128 PolarHBondContact O-N 2.83Å; D126-D128 VanDerWaalsContact C-N 3.28Å; D126-D128 PolarHBondContact O-N 2.82Å; D128-R138 WeakPolarHBondContact O-CA 3.32Å; D128-V139 HydrophobicContact CB-CB 4.35Å; D128-V139 HydrophobicContact CB-CG2 4.06Å; D128-V139 WeakPolarHBondContact O-CG2 3.34Å; D128-V139 PolarHBondContact O-N 3.27Å | ||
| 129 | V | 98.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.1 | -176.9 | -178 | 0 | 0 | 0 | 0 | 110.3 | K131 T136 L137 | V129-K131 HydrophobicContact CG1-CD 4.4Å; V129-K131 HydrophobicContact CG1-CG 3.88Å; V129-T136 HydrophobicContact CG1-CG2 3.52Å; V129-L137 CarbonylContact C-O 3.54Å; V129-L137 WeakPolarHBondContact CA-O 2.95Å |
| 130 | I | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.1 | 177.4 | -46.2 | 172.3 | 0 | 0 | 0 | 107.4 | I43 E72 V74 K102 L124 L137 V139 | I43-I130 HydrophobicContact CD1-CB 4.33Å; I43-I130 HydrophobicContact CD1-CG2 3.66Å; I43-I130 HydrophobicContact CG1-CG2 4.37Å; E72-I130 VanDerWaalsContact CD-CG2 3.46Å; E72-I130 HydrophobicContact CG-CG2 4.37Å; E72-I130 VanDerWaalsContact OE2-CG2 3.28Å; E72-I130 WeakPolarHBondContact OE2-CG2 3.28Å; V74-I130 HydrophobicContact CG1-CD1 4.09Å; V74-I130 HydrophobicContact CG2-CD1 3.56Å; K102-I130 HydrophobicContact CD-CD1 4.26Å; L124-I130 HydrophobicContact CD1-CD1 3.79Å; L124-I130 HydrophobicContact CD2-CD1 4.21Å; L124-I130 HydrophobicContact CD2-CG1 4.34Å; I130-L137 HydrophobicContact CB-CB 4.37Å; I130-L137 PolarHBondContact N-O 3.49Å; I130-L137 PolarHBondContact O-N 3.43Å; I130-V139 HydrophobicContact CD1-CG2 4.34Å |
| 131 | K | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 59% | 0.591 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.1 | -173.5 | -62.2 | -170.6 | 177.7 | -173.6 | 0 | 111.2 | Q71 V129 T136 | Q71-K131 PolarHBondContact NE2-O 3.37Å; V129-K131 HydrophobicContact CG1-CD 4.4Å; V129-K131 HydrophobicContact CG1-CG 3.88Å; K131-T136 HydrophobicContact CG-CG2 4.25Å |
| 132 | T | 98.4 | Very high | 98.6 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 176.6 | 163.4 | -168.7 | 0 | 0 | 0 | 0 | 108.7 | V36 R41 I43 Q71 G134 A135 | V36-T132 VanDerWaalsContact O-CG2 3.32Å; V36-T132 WeakPolarHBondContact O-CG2 3.38Å; R41-T132 PolarHBondContact O-OG1 3.49Å; I43-T132 HydrophobicContact CD1-CG2 3.83Å; I43-T132 HydrophobicContact CG1-CG2 3.89Å; Q71-T132 PolarHBondContact OE1-OG1 2.62Å; T132-G134 PolarHBondContact O-N 3.47Å; T132-G134 VanDerWaalsContact O-N 3.1Å; T132-A135 HydrophobicContact CG2-CB 3.95Å; T132-A135 PolarHBondContact N-O 3.37Å; T132-A135 PolarHBondContact O-N 3.05Å; T132-A135 VanDerWaalsContact O-N 3.15Å |
| 133 | E | 98.5 | Very high | 98.6 | Very high | 114 Ų | 114 | 49.8 Ų | 49.8 | 53% | 0.533 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 120.9 | -179.6 | -171.3 | -174.1 | 137.5 | 0 | 0 | 110.3 | G37 T38 G39 P40 A135 | G37-E133 CarbonylContact C-O 3.56Å; G37-E133 WeakPolarHBondContact CA-O 3.48Å; T38-E133 PolarHBondContact N-O 3.09Å; T38-E133 PolarHBondContact OG1-O 3Å; G39-E133 WeakPolarHBondContact CA-OE1 3.24Å; G39-E133 WeakPolarHBondContact CA-OE2 3.49Å; P40-E133 WeakPolarHBondContact CD-OE2 3.37Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.38Å |
| 134 | G | 98.3 | Very high | 98.7 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 7.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | R14 T38 T132 | R14-G134 WeakPolarHBondContact CD-O 3.34Å; R14-G134 PolarHBondContact NE-O 3.27Å; T38-G134 WeakPolarHBondContact OG1-CA 3.22Å; T132-G134 PolarHBondContact O-N 3.47Å; T132-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | A | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V36 T132 E133 L154 E156 | V36-A135 HydrophobicContact CG1-CB 3.78Å; T132-A135 HydrophobicContact CG2-CB 3.95Å; T132-A135 PolarHBondContact N-O 3.37Å; T132-A135 PolarHBondContact O-N 3.05Å; T132-A135 VanDerWaalsContact O-N 3.15Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.38Å; A135-L154 HydrophobicContact CB-CD1 3.74Å; A135-E156 WeakPolarHBondContact CA-OE2 3.38Å |
| 136 | T | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 109.8 | 175.7 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | V129 K131 E155 E156 | V129-T136 HydrophobicContact CG1-CG2 3.52Å; K131-T136 HydrophobicContact CG-CG2 4.25Å; T136-E155 HydrophobicContact CG2-CG 4.24Å; T136-E155 WeakPolarHBondContact CG2-OE2 3.24Å; T136-E155 PolarHBondContact O-N 2.77Å; T136-E156 VanDerWaalsContact CB-OE1 3.24Å; T136-E156 WeakPolarHBondContact CB-OE1 3.25Å; T136-E156 PolarHBondContact N-OE1 3.48Å; T136-E156 PolarHBondContact N-OE2 3.27Å; T136-E156 PolarHBondContact OG1-OE1 3.19Å |
| 137 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.4 | 176.7 | -63.5 | -180 | 0 | 0 | 0 | 109.8 | V36 I43 I45 V129 I130 L152 L153 L154 F161 | V36-L137 HydrophobicContact CG1-CD2 4.24Å; I43-L137 HydrophobicContact CB-CD1 4.36Å; I43-L137 HydrophobicContact CD1-CD1 3.8Å; I43-L137 HydrophobicContact CD1-CG 4.32Å; I43-L137 HydrophobicContact CG2-CD1 4.01Å; I45-L137 HydrophobicContact CD1-CD1 3.94Å; I45-L137 HydrophobicContact CG1-CD1 4.35Å; V129-L137 CarbonylContact C-O 3.54Å; V129-L137 WeakPolarHBondContact CA-O 2.95Å; I130-L137 HydrophobicContact CB-CB 4.37Å; I130-L137 PolarHBondContact N-O 3.49Å; I130-L137 PolarHBondContact O-N 3.43Å; L137-L152 HydrophobicContact CB-CD2 4.5Å; L137-L152 HydrophobicContact CD2-CB 4.45Å; L137-L153 CarbonylContact C-O 3.59Å; L137-L153 VanDerWaalsContact CA-O 3.32Å; L137-L153 WeakPolarHBondContact CA-O 3.37Å; L137-L154 HydrophobicContact CD2-CB 3.92Å; L137-L154 HydrophobicContact CD2-CD1 3.92Å; L137-F161 HydrophobicContact CD2-CD2 4.07Å; L137-F161 HydrophobicContact CD2-CE2 3.76Å |
| 138 | R | 98.9 | Very high | 98.6 | Very high | 91 Ų | 91 | 32.8 Ų | 32.8 | 34% | 0.343 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.8 | 171.4 | -176.9 | 176.6 | -60.7 | -87.5 | -2.3 | 110.2 | D128 L152 L153 E155 | D128-R138 WeakPolarHBondContact O-CA 3.32Å; R138-L152 WeakPolarHBondContact O-CA 3.39Å; R138-L153 HydrophobicContact CB-CB 4.32Å; R138-L153 PolarHBondContact N-O 3.33Å; R138-L153 PolarHBondContact O-N 3.24Å; R138-E155 IonicContact CZ-OE1 2.79Å; R138-E155 VanDerWaalsContact CZ-OE1 3.27Å; R138-E155 IonicContact NE-OE1 3.8Å; R138-E155 PolarHBondContact NE-OE1 2.72Å; R138-E155 IonicContact NH2-OE1 3.72Å; R138-E155 PolarHBondContact NH2-OE1 3.36Å |
| 139 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.1 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | L104 L124 K125 G127 D128 I130 M150 L152 | L104-V139 HydrophobicContact CD2-CG1 4.06Å; L104-V139 HydrophobicContact CG-CG1 4.47Å; L124-V139 HydrophobicContact CB-CG2 4.48Å; L124-V139 HydrophobicContact CD1-CG2 3.93Å; L124-V139 HydrophobicContact CD2-CG2 4.38Å; K125-V139 WeakPolarHBondContact O-CG1 3.37Å; G127-V139 WeakPolarHBondContact CA-O 3.42Å; G127-V139 PolarHBondContact N-O 2.9Å; D128-V139 HydrophobicContact CB-CB 4.35Å; D128-V139 HydrophobicContact CB-CG2 4.06Å; D128-V139 WeakPolarHBondContact O-CG2 3.34Å; D128-V139 PolarHBondContact O-N 3.27Å; I130-V139 HydrophobicContact CD1-CG2 4.34Å; V139-M150 HydrophobicContact CG1-CB 4.26Å; V139-M150 HydrophobicContact CG1-SD 3.86Å; V139-M150 HydrophobicContact CG2-SD 4.35Å; V139-L152 HydrophobicContact CG2-CD2 3.98Å |
| 140 | L | 98.9 | Very high | 98.6 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 14% | 0.141 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.9 | 174.2 | -54 | 168.8 | 0 | 0 | 0 | 108.2 | D126 T142 M150 A151 L153 L187 I190 | D126-L140 WeakPolarHBondContact OD1-CA 3.49Å; L140-T142 HydrophobicContact CB-CG2 4.29Å; L140-T142 PolarHBondContact O-N 2.91Å; L140-T142 VanDerWaalsContact O-N 3.16Å; L140-T142 PolarHBondContact O-OG1 3.36Å; L140-M150 VanDerWaalsContact O-CA 3.28Å; L140-M150 WeakPolarHBondContact O-CA 3.34Å; L140-M150 WeakPolarHBondContact O-CB 3.38Å; L140-A151 HydrophobicContact CB-CB 4.24Å; L140-A151 WeakPolarHBondContact CB-O 3.44Å; L140-A151 HydrophobicContact CD1-CB 4.21Å; L140-A151 PolarHBondContact N-O 2.84Å; L140-A151 PolarHBondContact O-N 3.43Å; L140-L153 HydrophobicContact CD1-CB 4.07Å; L140-L153 HydrophobicContact CG-CB 4.47Å; L140-L187 HydrophobicContact CD1-CD2 3.97Å; L140-I190 HydrophobicContact CD1-CD1 3.31Å; L140-I190 HydrophobicContact CD2-CD1 3.95Å; L140-I190 HydrophobicContact CG-CD1 4.25Å |
| 141 | Y | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 27 Ų | 27 | 34% | 0.337 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 114.6 | 174.4 | -178.5 | -140 | 0 | 0 | 0 | 109.6 | L104 D126 P143 D147 H149 | L104-Y141 HydrophobicContact CD1-CD2 3.29Å; L104-Y141 HydrophobicContact CD1-CE2 4.03Å; L104-Y141 HydrophobicContact CD1-CG 4.03Å; D126-Y141 PolarHBondContact OD1-N 3.27Å; Y141-P143 VanDerWaalsContact C-CD 3.44Å; Y141-P143 HydrophobicContact CD1-CG 4.19Å; Y141-P143 HydrophobicContact CD2-CB 4.49Å; Y141-P143 HydrophobicContact CD2-CG 4.34Å; Y141-P143 HydrophobicContact CE1-CB 4.29Å; Y141-P143 HydrophobicContact CE1-CG 3.72Å; Y141-P143 HydrophobicContact CE2-CB 3.74Å; Y141-P143 HydrophobicContact CE2-CG 3.91Å; Y141-D147 VanDerWaalsContact CE2-O 3.27Å; Y141-D147 WeakPolarHBondContact CE2-O 3.49Å; Y141-D147 PolarHBondContact OH-O 2.65Å; Y141-H149 WeakPolarHBondContact CD2-O 3.46Å |
| 142 | T | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | trans | -129.8 | 60.7 | -173.4 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | L140 H149 M150 A151 S183 L187 | L140-T142 HydrophobicContact CB-CG2 4.29Å; L140-T142 PolarHBondContact O-N 2.91Å; L140-T142 VanDerWaalsContact O-N 3.16Å; L140-T142 PolarHBondContact O-OG1 3.36Å; T142-H149 CarbonylContact C-O 3.53Å; T142-H149 PolarHBondContact N-O 3.31Å; T142-H149 WeakPolarHBondContact O-CB 3.43Å; T142-H149 PolarHBondContact O-ND1 2.74Å; T142-H149 PolarHBondContact OG1-ND1 2.93Å; T142-H149 PolarHBondContact OG1-O 2.98Å; T142-M150 VanDerWaalsContact OG1-C 3.31Å; T142-M150 WeakPolarHBondContact OG1-CA 3.48Å; T142-A151 HydrophobicContact CG2-CB 4.05Å; T142-A151 PolarHBondContact OG1-N 3.12Å; T142-S183 WeakPolarHBondContact CA-OG 3.4Å; T142-L187 HydrophobicContact CG2-CD1 4.15Å; T142-L187 HydrophobicContact CG2-CD2 3.96Å; T142-L187 HydrophobicContact CG2-CG 3.99Å | ||
| 143 | P | 98.6 | Very high | 98.7 | Very high | 16 Ų | 16 | 20.9 Ų | 20.9 | 10% | 0.104 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 161.3 | -177.7 | 29.1 | -35 | 0 | 0 | 0 | 111.7 | Y141 T146 D179 Y180 S183 | Y141-P143 VanDerWaalsContact C-CD 3.44Å; Y141-P143 HydrophobicContact CD1-CG 4.19Å; Y141-P143 HydrophobicContact CD2-CB 4.49Å; Y141-P143 HydrophobicContact CD2-CG 4.34Å; Y141-P143 HydrophobicContact CE1-CB 4.29Å; Y141-P143 HydrophobicContact CE1-CG 3.72Å; Y141-P143 HydrophobicContact CE2-CB 3.74Å; Y141-P143 HydrophobicContact CE2-CG 3.91Å; P143-T146 WeakPolarHBondContact CA-O 3.42Å; P143-D179 HydrophobicContact CB-CB 4.16Å; P143-D179 HydrophobicContact CG-CB 4.09Å; P143-D179 CarbonylContact O-C 3.5Å; P143-Y180 WeakPolarHBondContact O-CA 3.31Å; P143-Y180 PolarHBondContact O-N 2.9Å; P143-S183 WeakPolarHBondContact CD-OG 3.21Å; P143-S183 PolarHBondContact O-OG 3.35Å |
| 144 | G | 98.2 | Very high | 98.7 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 129.6 | -48.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | T146 F174 E175 D176 | G144-T146 VanDerWaalsContact C-N 3.34Å; G144-T146 PolarHBondContact N-O 3.43Å; G144-F174 CarbonylContact O-C 3.26Å; G144-F174 WeakPolarHBondContact O-CB 3.5Å; G144-E175 PolarHBondContact O-N 2.8Å; G144-D176 WeakPolarHBondContact CA-O 3.06Å; G144-D176 PolarHBondContact O-N 2.79Å |
| 145 | H | 98.5 | Very high | 98.7 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -57.9 | -53.9 | 166.6 | 176.8 | 70.7 | 0 | 0 | 0 | 109.3 | H77 H79 H149 D164 T172 V173 E175 | H77-H145 AromaticContact CD2-CD2 3.59Å; H77-H145 AromaticContact CD2-NE2 3.69Å; H77-H145 AromaticContact NE2-CD2 3.49Å; H77-H145 PolarHBondContact NE2-CD2 2.93Å; H77-H145 AromaticContact NE2-NE2 3.21Å; H77-H145 PolarHBondContact NE2-NE2 3.21Å; H79-H145 AromaticContact CE1-CD2 3.88Å; H79-H145 AromaticContact CE1-CE1 3.65Å; H79-H145 AromaticContact CE1-NE2 3.05Å; H79-H145 PolarHBondContact CE1-NE2 2.89Å; H79-H145 AromaticContact ND1-CD2 3.88Å; H79-H145 AromaticContact ND1-CE1 3.84Å; H79-H145 AromaticContact ND1-NE2 2.96Å; H79-H145 PolarHBondContact ND1-NE2 3.01Å; H145-H149 AromaticContact CD2-CD2 3.82Å; H145-D164 VanDerWaalsContact CD2-CB 3.5Å; H145-D164 WeakPolarHBondContact CD2-CB 3.16Å; H145-D164 IonicContact CE1-OD2 3.54Å; H145-D164 VanDerWaalsContact NE2-CB 3.3Å; H145-D164 WeakPolarHBondContact NE2-CB 3.38Å; H145-D164 IonicContact NE2-OD2 3.24Å; H145-T172 PolarHBondContact ND1-OG1 2.91Å; H145-V173 PolarHBondContact ND1-O 3.41Å; H145-E175 WeakPolarHBondContact O-CG 3.32Å; H145-E175 PolarHBondContact O-N 3.26Å |
| 146 | T | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -134.4 | 167.4 | 161.5 | 62.2 | 0 | 0 | 0 | 0 | 109.3 | H77 H79 P143 G144 D148 H149 | H77-T146 WeakPolarHBondContact CB-OG1 3.3Å; H79-T146 WeakPolarHBondContact CE1-CG2 3.45Å; P143-T146 WeakPolarHBondContact CA-O 3.42Å; G144-T146 VanDerWaalsContact C-N 3.34Å; G144-T146 PolarHBondContact N-O 3.43Å; T146-D148 VanDerWaalsContact C-N 3.3Å; T146-D148 WeakPolarHBondContact CB-OD1 3.24Å; T146-D148 PolarHBondContact O-N 3.29Å; T146-D148 PolarHBondContact OG1-OD1 3.28Å; T146-H149 PolarHBondContact O-N 2.95Å; T146-H149 WeakPolarHBondContact OG1-CB 2.85Å; T146-H149 PolarHBondContact OG1-N 3.03Å |
| 147 | D | 98.2 | Very high | 98.7 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.9 | 178.1 | 59.3 | -32.2 | 0 | 0 | 0 | 114.6 | R106 N107 R110 Y141 | R106-D147 IonicContact CZ-OD1 3.96Å; R106-D147 IonicContact CZ-OD2 2.74Å; R106-D147 VanDerWaalsContact NE-CG 3.34Å; R106-D147 IonicContact NE-OD1 3.72Å; R106-D147 PolarHBondContact NE-OD1 3.14Å; R106-D147 IonicContact NE-OD2 2.74Å; R106-D147 PolarHBondContact NE-OD2 3.45Å; R106-D147 VanDerWaalsContact NE-OD2 3.16Å; R106-D147 IonicContact NH2-OD1 3.52Å; R106-D147 PolarHBondContact NH2-OD1 2.75Å; R106-D147 IonicContact NH2-OD2 3.79Å; N107-D147 HydrophobicContact CB-CB 4.32Å; N107-D147 PolarHBondContact N-OD2 3.15Å; N107-D147 WeakPolarHBondContact O-CB 3.34Å; R110-D147 IonicContact NH2-OD2 3.16Å; Y141-D147 VanDerWaalsContact CE2-O 3.27Å; Y141-D147 WeakPolarHBondContact CE2-O 3.49Å; Y141-D147 PolarHBondContact OH-O 2.65Å |
| 148 | D | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 8.7 | 178.6 | 69.9 | -27.6 | 0 | 0 | 0 | 113.9 | W78 K103 L104 R106 T146 M150 | W78-D148 WeakPolarHBondContact CB-OD2 3.46Å; W78-D148 VanDerWaalsContact CD1-OD1 3.32Å; W78-D148 PolarHBondContact N-OD1 3.02Å; W78-D148 PolarHBondContact N-OD2 2.77Å; K103-D148 WeakPolarHBondContact CE-OD2 3.39Å; L104-D148 HydrophobicContact CB-CB 4.46Å; L104-D148 WeakPolarHBondContact CB-O 3.49Å; R106-D148 WeakPolarHBondContact CD-OD2 3.21Å; T146-D148 VanDerWaalsContact C-N 3.3Å; T146-D148 WeakPolarHBondContact CB-OD1 3.24Å; T146-D148 PolarHBondContact O-N 3.29Å; T146-D148 PolarHBondContact OG1-OD1 3.28Å; D148-M150 PolarHBondContact O-N 3.35Å |
| 149 | H | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -64.8 | 132 | -173.8 | -172.6 | -77.7 | 0 | 0 | 0 | 112.1 | H77 Y141 T142 H145 T146 S162 D164 C165 | H77-H149 HydrophobicContact CB-CB 4.26Å; H77-H149 AromaticContact CG-CD2 3.82Å; H77-H149 AromaticContact ND1-CD2 3.8Å; Y141-H149 WeakPolarHBondContact CD2-O 3.46Å; T142-H149 CarbonylContact C-O 3.53Å; T142-H149 PolarHBondContact N-O 3.31Å; T142-H149 WeakPolarHBondContact O-CB 3.43Å; T142-H149 PolarHBondContact O-ND1 2.74Å; T142-H149 PolarHBondContact OG1-ND1 2.93Å; T142-H149 PolarHBondContact OG1-O 2.98Å; H145-H149 AromaticContact CD2-CD2 3.82Å; T146-H149 PolarHBondContact O-N 2.95Å; T146-H149 WeakPolarHBondContact OG1-CB 2.85Å; T146-H149 PolarHBondContact OG1-N 3.03Å; H149-S162 PolarHBondContact CE1-O 3.29Å; H149-S162 PolarHBondContact NE2-O 3.04Å; H149-D164 PolarHBondContact NE2-N 2.89Å; H149-C165 VanDerWaalsContact CE1-CB 3.46Å; H149-C165 WeakPolarHBondContact CE1-CB 3.43Å; H149-C165 PolarHBondContact NE2-N 3.34Å | ||
| 150 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.5 | 167.2 | 61.9 | 174.8 | 159.6 | 0 | 0 | 113 | V74 V75 T76 K103 L104 L124 V139 L140 T142 D148 L152 | V74-M150 HydrophobicContact CG1-CE 3.45Å; V74-M150 VanDerWaalsContact CG1-CE 3.45Å; V74-M150 HydrophobicContact CG1-SD 4.34Å; V75-M150 WeakPolarHBondContact O-CE 3.35Å; T76-M150 WeakPolarHBondContact O-CG 3.29Å; T76-M150 PolarHBondContact O-N 2.97Å; K103-M150 HydrophobicContact CB-CE 4.19Å; L104-M150 HydrophobicContact CD1-CB 3.65Å; L104-M150 HydrophobicContact CD1-CG 4.45Å; L104-M150 HydrophobicContact CG-CB 4.08Å; L104-M150 HydrophobicContact CG-CG 4.4Å; L104-M150 HydrophobicContact CG-SD 4.21Å; L124-M150 HydrophobicContact CD1-CE 4.04Å; L124-M150 HydrophobicContact CD1-SD 4.13Å; V139-M150 HydrophobicContact CG1-CB 4.26Å; V139-M150 HydrophobicContact CG1-SD 3.86Å; V139-M150 HydrophobicContact CG2-SD 4.35Å; L140-M150 VanDerWaalsContact O-CA 3.28Å; L140-M150 WeakPolarHBondContact O-CA 3.34Å; L140-M150 WeakPolarHBondContact O-CB 3.38Å; T142-M150 VanDerWaalsContact OG1-C 3.31Å; T142-M150 WeakPolarHBondContact OG1-CA 3.48Å; D148-M150 PolarHBondContact O-N 3.35Å; M150-L152 HydrophobicContact SD-CD2 4.1Å |
| 151 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 160.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L140 T142 I160 F161 L187 | L140-A151 HydrophobicContact CB-CB 4.24Å; L140-A151 WeakPolarHBondContact CB-O 3.44Å; L140-A151 HydrophobicContact CD1-CB 4.21Å; L140-A151 PolarHBondContact N-O 2.84Å; L140-A151 PolarHBondContact O-N 3.43Å; T142-A151 HydrophobicContact CG2-CB 4.05Å; T142-A151 PolarHBondContact OG1-N 3.12Å; A151-I160 HydrophobicContact CB-CG2 4.06Å; A151-F161 CarbonylContact C-O 3.56Å; A151-F161 WeakPolarHBondContact CA-O 3.39Å; A151-F161 WeakPolarHBondContact CB-O 3.45Å; A151-L187 HydrophobicContact CB-CD2 3.98Å |
| 152 | L | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.1 | 178.2 | -61.6 | 157 | 0 | 0 | 0 | 109.2 | I45 V74 L137 R138 V139 M150 I160 F161 | I45-L152 HydrophobicContact CD1-CD1 3.71Å; I45-L152 HydrophobicContact CG1-CD1 3.96Å; I45-L152 HydrophobicContact CG2-CD1 4Å; V74-L152 HydrophobicContact CG1-CD1 3.79Å; V74-L152 HydrophobicContact CG1-CD2 4.26Å; L137-L152 HydrophobicContact CB-CD2 4.5Å; L137-L152 HydrophobicContact CD2-CB 4.45Å; R138-L152 WeakPolarHBondContact O-CA 3.39Å; V139-L152 HydrophobicContact CG2-CD2 3.98Å; M150-L152 HydrophobicContact SD-CD2 4.1Å; L152-I160 CarbonylContact O-C 3.54Å; L152-I160 WeakPolarHBondContact O-CA 3.06Å; L152-F161 HydrophobicContact CB-CB 4.19Å; L152-F161 HydrophobicContact CB-CD2 4.15Å; L152-F161 PolarHBondContact N-O 3.26Å; L152-F161 PolarHBondContact O-N 2.9Å |
| 153 | L | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 15.1 Ų | 15.1 | 13% | 0.131 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119 | 170.7 | 173.2 | 64.1 | 0 | 0 | 0 | 109.3 | L137 R138 L140 E155 A159 I160 I190 | L137-L153 CarbonylContact C-O 3.59Å; L137-L153 VanDerWaalsContact CA-O 3.32Å; L137-L153 WeakPolarHBondContact CA-O 3.37Å; R138-L153 HydrophobicContact CB-CB 4.32Å; R138-L153 PolarHBondContact N-O 3.33Å; R138-L153 PolarHBondContact O-N 3.24Å; L140-L153 HydrophobicContact CD1-CB 4.07Å; L140-L153 HydrophobicContact CG-CB 4.47Å; L153-E155 HydrophobicContact CD2-CG 4.49Å; L153-E155 HydrophobicContact CG-CG 4.45Å; L153-A159 CarbonylContact C-O 3.44Å; L153-A159 WeakPolarHBondContact CA-O 3.44Å; L153-I160 HydrophobicContact CD1-CG1 4.3Å; L153-I190 HydrophobicContact CD1-CG2 3.98Å; L153-I190 HydrophobicContact CD2-CG2 4.18Å |
| 154 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.9 | 165.1 | 177.8 | 61.7 | 0 | 0 | 0 | 109 | V15 V36 A135 L137 E156 E157 N158 A159 F161 | V15-L154 HydrophobicContact CG2-CD2 3.77Å; V36-L154 HydrophobicContact CG1-CD1 4.09Å; V36-L154 HydrophobicContact CG1-CD2 4.41Å; A135-L154 HydrophobicContact CB-CD1 3.74Å; L137-L154 HydrophobicContact CD2-CB 3.92Å; L137-L154 HydrophobicContact CD2-CD1 3.92Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 VanDerWaalsContact CD1-OE2 3.3Å; L154-E156 WeakPolarHBondContact CD1-OE2 3.39Å; L154-E156 PolarHBondContact O-N 3.28Å; L154-E157 HydrophobicContact CD2-CB 3.93Å; L154-E157 HydrophobicContact CD2-CG 3.82Å; L154-E157 HydrophobicContact CG-CB 4.24Å; L154-E157 HydrophobicContact CG-CG 4.36Å; L154-E157 PolarHBondContact O-N 3.38Å; L154-N158 PolarHBondContact O-N 3.31Å; L154-N158 VanDerWaalsContact O-N 3.13Å; L154-A159 HydrophobicContact CB-CB 4.24Å; L154-A159 PolarHBondContact N-O 3.45Å; L154-A159 PolarHBondContact O-N 3.04Å; L154-F161 HydrophobicContact CB-CE2 3.96Å; L154-F161 HydrophobicContact CD2-CE2 4.29Å; L154-F161 HydrophobicContact CD2-CZ 4.46Å |
| 155 | E | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 14.8 Ų | 14.8 | 39% | 0.388 | 7% | 0.073 | S | C | . | . | G | 310 helix | trans | -62.7 | -37.6 | -172.2 | -63.9 | -172.6 | 167.1 | 0 | 0 | 112 | T136 R138 L153 E157 N158 | T136-E155 HydrophobicContact CG2-CG 4.24Å; T136-E155 WeakPolarHBondContact CG2-OE2 3.24Å; T136-E155 PolarHBondContact O-N 2.77Å; R138-E155 IonicContact CZ-OE1 2.79Å; R138-E155 VanDerWaalsContact CZ-OE1 3.27Å; R138-E155 IonicContact NE-OE1 3.8Å; R138-E155 PolarHBondContact NE-OE1 2.72Å; R138-E155 IonicContact NH2-OE1 3.72Å; R138-E155 PolarHBondContact NH2-OE1 3.36Å; L153-E155 HydrophobicContact CD2-CG 4.49Å; L153-E155 HydrophobicContact CG-CG 4.45Å; E155-E157 VanDerWaalsContact C-N 3.28Å; E155-E157 PolarHBondContact O-N 3.16Å; E155-N158 PolarHBondContact O-N 2.97Å |
| 156 | E | 98.6 | Very high | 98.7 | Very high | 71 Ų | 71 | 14.7 Ų | 14.7 | 33% | 0.332 | 7% | 0.072 | S | C | . | . | G | 310 helix | trans | -70.6 | -19.1 | -175.8 | -65 | 80.7 | 179.3 | 0 | 0 | 114.7 | A135 T136 L154 | A135-E156 WeakPolarHBondContact CA-OE2 3.38Å; T136-E156 VanDerWaalsContact CB-OE1 3.24Å; T136-E156 WeakPolarHBondContact CB-OE1 3.25Å; T136-E156 PolarHBondContact N-OE1 3.48Å; T136-E156 PolarHBondContact N-OE2 3.27Å; T136-E156 PolarHBondContact OG1-OE1 3.19Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 VanDerWaalsContact CD1-OE2 3.3Å; L154-E156 WeakPolarHBondContact CD1-OE2 3.39Å; L154-E156 PolarHBondContact O-N 3.28Å |
| 157 | E | 98.4 | Very high | 98.7 | Very high | 39 Ų | 39 | 15.1 Ų | 15.1 | 18% | 0.182 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -118.9 | 3.8 | -179.9 | -60.6 | -169 | 171.5 | 0 | 0 | 112.8 | S12 R14 L154 E155 A159 Y196 | S12-E157 WeakPolarHBondContact CB-OE1 3.44Å; S12-E157 WeakPolarHBondContact CB-OE2 3.33Å; S12-E157 VanDerWaalsContact OG-CD 3.23Å; S12-E157 PolarHBondContact OG-OE1 3.35Å; S12-E157 PolarHBondContact OG-OE2 3.31Å; R14-E157 WeakPolarHBondContact CB-OE1 3.49Å; R14-E157 WeakPolarHBondContact CD-OE1 3.28Å; R14-E157 WeakPolarHBondContact CG-OE1 3.48Å; R14-E157 IonicContact NH1-OE1 3.57Å; L154-E157 HydrophobicContact CD2-CB 3.93Å; L154-E157 HydrophobicContact CD2-CG 3.82Å; L154-E157 HydrophobicContact CG-CB 4.24Å; L154-E157 HydrophobicContact CG-CG 4.36Å; L154-E157 PolarHBondContact O-N 3.38Å; E155-E157 VanDerWaalsContact C-N 3.28Å; E155-E157 PolarHBondContact O-N 3.16Å; E157-A159 HydrophobicContact CB-CB 3.9Å; E157-A159 PolarHBondContact O-N 3.41Å; E157-Y196 PolarHBondContact OE2-OH 3.14Å |
| 158 | N | 98.4 | Very high | 98.7 | Very high | 52 Ų | 52 | 14.6 Ų | 14.6 | 28% | 0.278 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 45.6 | -171 | -169.9 | 35.6 | 0 | 0 | 0 | 111.5 | L154 E155 K191 A192 D193 | L154-N158 PolarHBondContact O-N 3.31Å; L154-N158 VanDerWaalsContact O-N 3.13Å; E155-N158 PolarHBondContact O-N 2.97Å; N158-K191 PolarHBondContact ND2-O 3.04Å; N158-A192 CarbonylContact O-C 3.55Å; N158-A192 VanDerWaalsContact O-CA 3.31Å; N158-A192 WeakPolarHBondContact O-CA 3.37Å; N158-A192 WeakPolarHBondContact O-CB 3.49Å; N158-D193 WeakPolarHBondContact CB-OD2 3.46Å; N158-D193 PolarHBondContact ND2-N 3.45Å; N158-D193 PolarHBondContact ND2-OD2 2.75Å; N158-D193 PolarHBondContact O-N 3.44Å |
| 159 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 143.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L153 L154 E157 I194 Y196 | L153-A159 CarbonylContact C-O 3.44Å; L153-A159 WeakPolarHBondContact CA-O 3.44Å; L154-A159 HydrophobicContact CB-CB 4.24Å; L154-A159 PolarHBondContact N-O 3.45Å; L154-A159 PolarHBondContact O-N 3.04Å; E157-A159 HydrophobicContact CB-CB 3.9Å; E157-A159 PolarHBondContact O-N 3.41Å; A159-I194 WeakPolarHBondContact CA-O 3.24Å; A159-I194 HydrophobicContact CB-CG2 3.23Å; A159-Y196 HydrophobicContact CB-CD2 4.05Å; A159-Y196 HydrophobicContact CB-CE2 3.55Å |
| 160 | I | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.6 | 177.3 | -68.6 | 168.6 | 0 | 0 | 0 | 109.8 | A151 L152 L153 S162 L187 I190 A192 I194 I195 Y196 | A151-I160 HydrophobicContact CB-CG2 4.06Å; L152-I160 CarbonylContact O-C 3.54Å; L152-I160 WeakPolarHBondContact O-CA 3.06Å; L153-I160 HydrophobicContact CD1-CG1 4.3Å; I160-S162 PolarHBondContact O-N 3.27Å; I160-L187 HydrophobicContact CD1-CD2 4.03Å; I160-L187 HydrophobicContact CG2-CD2 4.22Å; I160-I190 HydrophobicContact CD1-CB 4.26Å; I160-I190 HydrophobicContact CD1-CD1 4.06Å; I160-I190 HydrophobicContact CD1-CG2 4.14Å; I160-A192 HydrophobicContact CB-CB 4.46Å; I160-A192 HydrophobicContact CD1-CB 3.41Å; I160-A192 VanDerWaalsContact CD1-CB 3.41Å; I160-A192 HydrophobicContact CG1-CB 3.63Å; I160-I194 PolarHBondContact N-O 2.72Å; I160-I195 HydrophobicContact CB-CG1 4.31Å; I160-I195 CarbonylContact O-C 3.6Å; I160-I195 VanDerWaalsContact O-CA 3.28Å; I160-I195 WeakPolarHBondContact O-CA 3.44Å; I160-Y196 PolarHBondContact O-N 3.2Å |
| 161 | F | 99 | Very high | 98.1 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 106.9 | 157.9 | -58.6 | -86.2 | 0 | 0 | 0 | 107.7 | V15 Y34 V36 I45 L137 A151 L152 L154 Y196 | V15-F161 HydrophobicContact CG1-CE1 3.9Å; V15-F161 HydrophobicContact CG1-CZ 4.06Å; V15-F161 HydrophobicContact CG2-CE1 4.48Å; V15-F161 HydrophobicContact CG2-CZ 3.83Å; Y34-F161 HydrophobicContact CD1-CD1 4.32Å; Y34-F161 AromaticContact CD1-CE1 3.84Å; Y34-F161 HydrophobicContact CD1-CE1 3.84Å; Y34-F161 AromaticContact CD2-CD1 3.62Å; Y34-F161 HydrophobicContact CD2-CD1 3.62Å; Y34-F161 AromaticContact CD2-CE1 3.9Å; Y34-F161 HydrophobicContact CD2-CE1 3.9Å; Y34-F161 HydrophobicContact CE1-CE1 4.4Å; Y34-F161 AromaticContact CE2-CD1 3.99Å; Y34-F161 HydrophobicContact CE2-CD1 3.99Å; Y34-F161 HydrophobicContact CE2-CE1 4.47Å; Y34-F161 AromaticContact CG-CD1 3.8Å; Y34-F161 HydrophobicContact CG-CD1 3.8Å; Y34-F161 AromaticContact CG-CE1 3.54Å; Y34-F161 HydrophobicContact CG-CE1 3.54Å; V36-F161 HydrophobicContact CG1-CE2 4.41Å; V36-F161 HydrophobicContact CG1-CZ 4.32Å; V36-F161 HydrophobicContact CG2-CE1 4Å; V36-F161 HydrophobicContact CG2-CE2 3.96Å; V36-F161 HydrophobicContact CG2-CZ 3.41Å; V36-F161 VanDerWaalsContact CG2-CZ 3.41Å; I45-F161 HydrophobicContact CD1-CB 4.2Å; I45-F161 HydrophobicContact CD1-CD1 3.74Å; I45-F161 HydrophobicContact CD1-CD2 3.52Å; I45-F161 HydrophobicContact CD1-CE1 3.95Å; I45-F161 HydrophobicContact CD1-CE2 3.72Å; I45-F161 HydrophobicContact CD1-CG 3.53Å; I45-F161 HydrophobicContact CD1-CZ 3.94Å; L137-F161 HydrophobicContact CD2-CD2 4.07Å; L137-F161 HydrophobicContact CD2-CE2 3.76Å; A151-F161 CarbonylContact C-O 3.56Å; A151-F161 WeakPolarHBondContact CA-O 3.39Å; A151-F161 WeakPolarHBondContact CB-O 3.45Å; L152-F161 HydrophobicContact CB-CB 4.19Å; L152-F161 HydrophobicContact CB-CD2 4.15Å; L152-F161 PolarHBondContact N-O 3.26Å; L152-F161 PolarHBondContact O-N 2.9Å; L154-F161 HydrophobicContact CB-CE2 3.96Å; L154-F161 HydrophobicContact CD2-CE2 4.29Å; L154-F161 HydrophobicContact CD2-CZ 4.46Å; F161-Y196 VanDerWaalsContact CA-O 3.3Å; F161-Y196 WeakPolarHBondContact CA-O 3.3Å; F161-Y196 VanDerWaalsContact CD1-CB 3.47Å; F161-Y196 AromaticContact CD1-CD2 3.88Å; F161-Y196 HydrophobicContact CD1-CD2 3.88Å; F161-Y196 HydrophobicContact CD1-CG 4.09Å; F161-Y196 AromaticContact CE1-CD2 3.45Å; F161-Y196 HydrophobicContact CE1-CD2 3.45Å; F161-Y196 VanDerWaalsContact CE1-CD2 3.45Å; F161-Y196 HydrophobicContact CE1-CE2 4.31Å; F161-Y196 AromaticContact CE1-CG 3.86Å; F161-Y196 HydrophobicContact CE1-CG 3.86Å; F161-Y196 HydrophobicContact CE2-CD2 4.24Å; F161-Y196 HydrophobicContact CG-CD2 4.41Å; F161-Y196 AromaticContact CZ-CD2 3.65Å; F161-Y196 HydrophobicContact CZ-CD2 3.65Å; F161-Y196 HydrophobicContact CZ-CE2 4.16Å; F161-Y196 HydrophobicContact CZ-CG 4.49Å |
| 162 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -2.9 | -169.2 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | H149 I160 D164 C165 I166 I195 Y196 P197 | H149-S162 PolarHBondContact CE1-O 3.29Å; H149-S162 PolarHBondContact NE2-O 3.04Å; I160-S162 PolarHBondContact O-N 3.27Å; S162-D164 PolarHBondContact O-N 3.4Å; S162-C165 VanDerWaalsContact O-CB 3.24Å; S162-C165 WeakPolarHBondContact O-CB 3.41Å; S162-C165 PolarHBondContact O-N 3.25Å; S162-I166 PolarHBondContact OG-O 2.92Å; S162-I195 WeakPolarHBondContact OG-CG2 3.09Å; S162-Y196 PolarHBondContact N-O 3.05Å; S162-Y196 VanDerWaalsContact N-O 3.13Å; S162-P197 WeakPolarHBondContact OG-CA 3.15Å |
| 163 | G | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.5 | -131.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G198 | G163-G198 WeakPolarHBondContact O-CA 3.28Å; G163-G198 PolarHBondContact O-N 3.21Å |
| 164 | D | 98.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 6.4 | 179.5 | -85.4 | 21.2 | 0 | 0 | 0 | 114.2 | H82 H145 H149 S162 I166 L167 T172 H199 | H82-D164 IonicContact CE1-OD1 3.13Å; H82-D164 PolarHBondContact CE1-OD1 3.33Å; H82-D164 VanDerWaalsContact CE1-OD1 3.24Å; H82-D164 IonicContact NE2-OD1 2.79Å; H82-D164 PolarHBondContact NE2-OD1 3.21Å; H82-D164 IonicContact NE2-OD2 3.14Å; H145-D164 VanDerWaalsContact CD2-CB 3.5Å; H145-D164 WeakPolarHBondContact CD2-CB 3.16Å; H145-D164 IonicContact CE1-OD2 3.54Å; H145-D164 VanDerWaalsContact NE2-CB 3.3Å; H145-D164 WeakPolarHBondContact NE2-CB 3.38Å; H145-D164 IonicContact NE2-OD2 3.24Å; H149-D164 PolarHBondContact NE2-N 2.89Å; S162-D164 PolarHBondContact O-N 3.4Å; D164-I166 VanDerWaalsContact C-N 3.32Å; D164-L167 HydrophobicContact CB-CD2 4.35Å; D164-T172 WeakPolarHBondContact O-CB 3.43Å; D164-T172 WeakPolarHBondContact O-CG2 3.49Å; D164-T172 PolarHBondContact O-OG1 3.18Å; D164-H199 IonicContact OD1-CD2 2.59Å; D164-H199 PolarHBondContact OD1-CD2 2.63Å; D164-H199 IonicContact OD1-NE2 2.61Å; D164-H199 PolarHBondContact OD1-NE2 3.37Å; D164-H199 IonicContact OD2-CD2 3.26Å; D164-H199 PolarHBondContact OD2-CD2 2.92Å; D164-H199 IonicContact OD2-NE2 2.65Å; D164-H199 PolarHBondContact OD2-NE2 3.43Å |
| 165 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -40 | 169.5 | -173 | 0 | 0 | 0 | 0 | 111.2 | H149 S162 Y180 | H149-C165 VanDerWaalsContact CE1-CB 3.46Å; H149-C165 WeakPolarHBondContact CE1-CB 3.43Å; H149-C165 PolarHBondContact NE2-N 3.34Å; S162-C165 VanDerWaalsContact O-CB 3.24Å; S162-C165 WeakPolarHBondContact O-CB 3.41Å; S162-C165 PolarHBondContact O-N 3.25Å; C165-Y180 WeakPolarHBondContact O-CE2 3.22Å; C165-Y180 PolarHBondContact O-OH 2.94Å |
| 166 | I | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -137.7 | 132.4 | 177.1 | -57.1 | 174.6 | 0 | 0 | 0 | 108.9 | S162 D164 L184 L187 I195 P197 I203 K209 I210 Y213 | S162-I166 PolarHBondContact OG-O 2.92Å; D164-I166 VanDerWaalsContact C-N 3.32Å; I166-L184 HydrophobicContact CD1-CD2 3.91Å; I166-L184 HydrophobicContact CG1-CD2 3.84Å; I166-L187 HydrophobicContact CD1-CD1 4.18Å; I166-I195 HydrophobicContact CD1-CD1 3.95Å; I166-I195 HydrophobicContact CG2-CD1 4.28Å; I166-P197 VanDerWaalsContact O-CB 3.24Å; I166-P197 WeakPolarHBondContact O-CB 3.5Å; I166-I203 HydrophobicContact CG2-CD1 3.86Å; I166-K209 HydrophobicContact CG2-CG 3.77Å; I166-I210 HydrophobicContact CD1-CB 4.48Å; I166-I210 HydrophobicContact CD1-CD1 4.42Å; I166-I210 HydrophobicContact CD1-CG1 3.47Å; I166-I210 VanDerWaalsContact CD1-CG1 3.47Å; I166-Y213 HydrophobicContact CB-CE1 4.21Å; I166-Y213 HydrophobicContact CG1-CD1 4.12Å; I166-Y213 HydrophobicContact CG1-CE1 4.14Å; I166-Y213 HydrophobicContact CG2-CE1 4.1Å; I166-Y213 HydrophobicContact CG2-CE2 4.32Å |
| 167 | L | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | trans | -110.8 | 152.3 | -177.5 | -54 | -175.3 | 0 | 0 | 0 | 110.2 | D164 E169 H199 K209 Y213 | D164-L167 HydrophobicContact CB-CD2 4.35Å; L167-E169 VanDerWaalsContact C-N 3.31Å; L167-E169 WeakPolarHBondContact CB-O 3.44Å; L167-E169 PolarHBondContact O-N 3.36Å; L167-H199 HydrophobicContact CD2-CB 4.1Å; L167-K209 WeakPolarHBondContact O-CE 3.36Å; L167-K209 PolarHBondContact O-NZ 3.08Å; L167-Y213 PolarHBondContact N-OH 2.59Å; L167-Y213 PolarHBondContact O-OH 2.79Å | ||
| 168 | G | 97.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -61.7 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H199 P201 K209 | G168-H199 PolarHBondContact N-O 3.31Å; G168-P201 WeakPolarHBondContact CA-O 3.44Å; G168-K209 PolarHBondContact O-NZ 3.3Å |
| 169 | E | 95.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 26.6 Ų | 26.6 | 27% | 0.266 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -119.3 | 149.5 | 176.8 | -69.9 | 172.8 | -144.2 | 0 | 0 | 111.6 | A3 L28 Q29 L167 P201 | A3-E169 WeakPolarHBondContact CB-OE1 3.43Å; L28-E169 HydrophobicContact CD1-CB 3.91Å; Q29-E169 PolarHBondContact NE2-OE1 2.8Å; L167-E169 VanDerWaalsContact C-N 3.31Å; L167-E169 WeakPolarHBondContact CB-O 3.44Å; L167-E169 PolarHBondContact O-N 3.36Å; E169-P201 HydrophobicContact CG-CG 4.16Å |
| 170 | G | 94 | Very high | 97.5 | Very high | 60 Ų | 60 | 26.6 Ų | 26.6 | 62% | 0.619 | 15% | 0.154 | S | C | * | . | S | Bend | trans | 63.2 | -138.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y213 | G170-Y213 WeakPolarHBondContact O-CE2 3.22Å; G170-Y213 PolarHBondContact O-OH 2.79Å |
| 171 | T | 94.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 34% | 0.344 | 15% | 0.154 | S | C | . | . | trans | -139.1 | 162.2 | 178 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | Y213 R217 | T171-Y213 WeakPolarHBondContact CA-OH 3.4Å; T171-R217 PolarHBondContact OG1-NH2 2.87Å | ||
| 172 | T | 95.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -89 | 162.7 | 173.6 | -164.5 | 0 | 0 | 0 | 0 | 113.3 | H145 D164 F174 Y180 Y213 R217 | H145-T172 PolarHBondContact ND1-OG1 2.91Å; D164-T172 WeakPolarHBondContact O-CB 3.43Å; D164-T172 WeakPolarHBondContact O-CG2 3.49Å; D164-T172 PolarHBondContact O-OG1 3.18Å; T172-F174 HydrophobicContact CG2-CD1 4.39Å; T172-Y180 HydrophobicContact CG2-CE2 3.64Å; T172-Y180 WeakPolarHBondContact CG2-OH 3.47Å; T172-Y213 HydrophobicContact CG2-CE1 4.42Å; T172-R217 PolarHBondContact O-NH2 2.93Å | ||
| 173 | V | 94.1 | Very high | 97.4 | Very high | 81 Ų | 81 | 29 Ų | 29 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | trans | -89.8 | 161.8 | 163 | -64 | 0 | 0 | 0 | 0 | 109.8 | M26 H145 | M26-V173 HydrophobicContact CE-CG1 3.96Å; M26-V173 HydrophobicContact CE-CG2 3.74Å; H145-V173 PolarHBondContact ND1-O 3.41Å | ||
| 174 | F | 96.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | trans | -154.8 | 149.5 | -178.6 | 40.7 | -95.6 | 0 | 0 | 0 | 111.5 | G144 T172 L177 Y180 L263 | G144-F174 CarbonylContact O-C 3.26Å; G144-F174 WeakPolarHBondContact O-CB 3.5Å; T172-F174 HydrophobicContact CG2-CD1 4.39Å; F174-L177 HydrophobicContact CD2-CB 4.11Å; F174-L177 HydrophobicContact CD2-CD1 4.19Å; F174-L177 HydrophobicContact CE1-CD1 4.27Å; F174-L177 HydrophobicContact CE2-CB 3.78Å; F174-L177 HydrophobicContact CE2-CD1 3.51Å; F174-L177 HydrophobicContact CE2-CG 4.1Å; F174-L177 HydrophobicContact CZ-CD1 3.59Å; F174-Y180 HydrophobicContact CB-CD2 4.32Å; F174-Y180 HydrophobicContact CB-CG 4.21Å; F174-Y180 AromaticContact CD1-CD1 3.81Å; F174-Y180 HydrophobicContact CD1-CD1 3.81Å; F174-Y180 AromaticContact CD1-CE1 3.83Å; F174-Y180 HydrophobicContact CD1-CE1 3.83Å; F174-Y180 HydrophobicContact CD1-CG 4.15Å; F174-Y180 HydrophobicContact CE1-CD1 4.13Å; F174-Y180 HydrophobicContact CE1-CE1 4.03Å; F174-Y180 HydrophobicContact CG-CD1 4.17Å; F174-Y180 HydrophobicContact CG-CG 4.17Å; F174-L263 HydrophobicContact CD2-CD1 3.69Å; F174-L263 HydrophobicContact CE2-CB 4.04Å; F174-L263 HydrophobicContact CE2-CD1 3.42Å; F174-L263 VanDerWaalsContact CE2-CD1 3.42Å; F174-L263 HydrophobicContact CE2-CG 4.25Å; F174-L263 HydrophobicContact CZ-CD1 4.36Å | ||
| 175 | E | 97.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -79.4 | -35.4 | 176.2 | -68.3 | 176.3 | 174.4 | 0 | 0 | 112.2 | G144 H145 L263 | G144-E175 PolarHBondContact O-N 2.8Å; H145-E175 WeakPolarHBondContact O-CG 3.32Å; H145-E175 PolarHBondContact O-N 3.26Å; E175-L263 VanDerWaalsContact O-CD2 3.25Å; E175-L263 WeakPolarHBondContact O-CD2 3.35Å |
| 176 | D | 98.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 16% | 0.16 | 20% | 0.203 | C | C | . | . | trans | -138.8 | 116.6 | -178.9 | -167.3 | -80.6 | 0 | 0 | 0 | 112.8 | G144 Y178 D179 Y180 K270 | G144-D176 WeakPolarHBondContact CA-O 3.06Å; G144-D176 PolarHBondContact O-N 2.79Å; D176-Y178 WeakPolarHBondContact OD1-CA 3.33Å; D176-Y178 WeakPolarHBondContact OD1-CB 3.47Å; D176-Y178 PolarHBondContact OD1-N 2.91Å; D176-D179 HydrophobicContact CB-CB 4.35Å; D176-D179 PolarHBondContact OD1-N 3.24Å; D176-Y180 WeakPolarHBondContact O-CB 3.46Å; D176-Y180 PolarHBondContact O-N 3.4Å; D176-Y180 VanDerWaalsContact O-N 3.08Å; D176-K270 IonicContact OD1-NZ 3.57Å; D176-K270 PolarHBondContact OD1-NZ 3.06Å; D176-K270 IonicContact OD2-NZ 3.83Å; D176-K270 PolarHBondContact OD2-NZ 3.37Å | ||
| 177 | L | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.4 | -28.4 | -177.3 | -175.5 | 62.7 | 0 | 0 | 0 | 113.3 | F174 Y180 M181 R217 L263 H264 K267 | F174-L177 HydrophobicContact CD2-CB 4.11Å; F174-L177 HydrophobicContact CD2-CD1 4.19Å; F174-L177 HydrophobicContact CE1-CD1 4.27Å; F174-L177 HydrophobicContact CE2-CB 3.78Å; F174-L177 HydrophobicContact CE2-CD1 3.51Å; F174-L177 HydrophobicContact CE2-CG 4.1Å; F174-L177 HydrophobicContact CZ-CD1 3.59Å; L177-Y180 HydrophobicContact CD1-CD1 4.08Å; L177-M181 HydrophobicContact CD1-CG 3.71Å; L177-M181 HydrophobicContact CD1-SD 4.21Å; L177-M181 HydrophobicContact CG-CG 4.04Å; L177-M181 WeakPolarHBondContact O-CB 3.28Å; L177-M181 WeakPolarHBondContact O-CG 3.44Å; L177-M181 PolarHBondContact O-N 3.01Å; L177-R217 HydrophobicContact CD1-CG 4.38Å; L177-L263 HydrophobicContact CB-CB 4.17Å; L177-H264 HydrophobicContact CD2-CB 4.26Å; L177-H264 VanDerWaalsContact CD2-CE1 3.45Å; L177-H264 WeakPolarHBondContact CD2-CE1 3.48Å; L177-H264 WeakPolarHBondContact CD2-ND1 3.3Å; L177-K267 HydrophobicContact CB-CB 4.2Å; L177-K267 HydrophobicContact CB-CD 4.24Å; L177-K267 HydrophobicContact CD2-CB 4.4Å; L177-K267 HydrophobicContact CD2-CD 3.91Å; L177-K267 HydrophobicContact CG-CB 4.43Å; L177-K267 HydrophobicContact CG-CD 3.69Å |
| 178 | Y | 98.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.3 | -52 | -179.4 | 175.2 | -92.6 | 0 | 0 | 0 | 109.8 | D176 Y180 M181 N182 K267 K270 E271 | D176-Y178 WeakPolarHBondContact OD1-CA 3.33Å; D176-Y178 WeakPolarHBondContact OD1-CB 3.47Å; D176-Y178 PolarHBondContact OD1-N 2.91Å; Y178-Y180 VanDerWaalsContact C-N 3.35Å; Y178-M181 PolarHBondContact O-N 2.93Å; Y178-N182 WeakPolarHBondContact CE1-ND2 3.27Å; Y178-N182 PolarHBondContact O-N 2.97Å; Y178-N182 VanDerWaalsContact O-N 3.14Å; Y178-N182 PolarHBondContact O-ND2 2.93Å; Y178-K267 HydrophobicContact CD2-CG 4.22Å; Y178-K270 HydrophobicContact CD1-CD 4.24Å; Y178-K270 HydrophobicContact CD2-CB 4.3Å; Y178-K270 HydrophobicContact CG-CB 4.42Å; Y178-K270 HydrophobicContact CG-CD 4.01Å; Y178-E271 HydrophobicContact CD2-CG 3.83Å; Y178-E271 HydrophobicContact CE2-CG 3.76Å |
| 179 | D | 98.5 | Very high | 97.5 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -45 | 177.8 | -65.4 | -31.8 | 0 | 0 | 0 | 110.3 | P143 D176 M181 N182 S183 K270 | P143-D179 HydrophobicContact CB-CB 4.16Å; P143-D179 HydrophobicContact CG-CB 4.09Å; P143-D179 CarbonylContact O-C 3.5Å; D176-D179 HydrophobicContact CB-CB 4.35Å; D176-D179 PolarHBondContact OD1-N 3.24Å; D179-M181 PolarHBondContact O-N 3.45Å; D179-N182 PolarHBondContact O-N 3.48Å; D179-N182 VanDerWaalsContact O-N 3.11Å; D179-S183 PolarHBondContact O-N 2.82Å; D179-S183 PolarHBondContact O-OG 2.82Å; D179-S183 VanDerWaalsContact O-OG 3.06Å; D179-K270 IonicContact OD2-NZ 3.94Å |
| 180 | Y | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 177.9 | -178.1 | -109.7 | 0 | 0 | 0 | 113.1 | P143 C165 T172 F174 D176 L177 Y178 N182 S183 L184 Y213 | P143-Y180 WeakPolarHBondContact O-CA 3.31Å; P143-Y180 PolarHBondContact O-N 2.9Å; C165-Y180 WeakPolarHBondContact O-CE2 3.22Å; C165-Y180 PolarHBondContact O-OH 2.94Å; T172-Y180 HydrophobicContact CG2-CE2 3.64Å; T172-Y180 WeakPolarHBondContact CG2-OH 3.47Å; F174-Y180 HydrophobicContact CB-CD2 4.32Å; F174-Y180 HydrophobicContact CB-CG 4.21Å; F174-Y180 AromaticContact CD1-CD1 3.81Å; F174-Y180 HydrophobicContact CD1-CD1 3.81Å; F174-Y180 AromaticContact CD1-CE1 3.83Å; F174-Y180 HydrophobicContact CD1-CE1 3.83Å; F174-Y180 HydrophobicContact CD1-CG 4.15Å; F174-Y180 HydrophobicContact CE1-CD1 4.13Å; F174-Y180 HydrophobicContact CE1-CE1 4.03Å; F174-Y180 HydrophobicContact CG-CD1 4.17Å; F174-Y180 HydrophobicContact CG-CG 4.17Å; D176-Y180 WeakPolarHBondContact O-CB 3.46Å; D176-Y180 PolarHBondContact O-N 3.4Å; D176-Y180 VanDerWaalsContact O-N 3.08Å; L177-Y180 HydrophobicContact CD1-CD1 4.08Å; Y178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-N182 VanDerWaalsContact C-N 3.31Å; Y180-N182 PolarHBondContact O-N 3.16Å; Y180-S183 WeakPolarHBondContact O-CB 3.43Å; Y180-S183 PolarHBondContact O-N 3.47Å; Y180-L184 HydrophobicContact CD1-CD1 4.02Å; Y180-L184 HydrophobicContact CD1-CG 4.49Å; Y180-L184 HydrophobicContact CE1-CD1 3.47Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.47Å; Y180-L184 HydrophobicContact CE1-CG 4.13Å; Y180-L184 HydrophobicContact CE2-CD2 4.45Å; Y180-L184 HydrophobicContact CE2-CG 4.39Å; Y180-L184 WeakPolarHBondContact O-CG 3.39Å; Y180-L184 PolarHBondContact O-N 2.75Å; Y180-Y213 WeakPolarHBondContact OH-CD1 3.18Å; Y180-Y213 WeakPolarHBondContact OH-CE1 3.43Å |
| 181 | M | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.1 | -29.6 | 179.2 | -72.1 | -63.4 | -63.9 | 0 | 0 | 112.6 | L177 Y178 D179 L184 K185 I214 R217 N218 K267 | L177-M181 HydrophobicContact CD1-CG 3.71Å; L177-M181 HydrophobicContact CD1-SD 4.21Å; L177-M181 HydrophobicContact CG-CG 4.04Å; L177-M181 WeakPolarHBondContact O-CB 3.28Å; L177-M181 WeakPolarHBondContact O-CG 3.44Å; L177-M181 PolarHBondContact O-N 3.01Å; Y178-M181 PolarHBondContact O-N 2.93Å; D179-M181 PolarHBondContact O-N 3.45Å; M181-L184 HydrophobicContact SD-CD1 4.12Å; M181-K185 WeakPolarHBondContact O-CD 3.47Å; M181-K185 VanDerWaalsContact O-CG 3.26Å; M181-K185 WeakPolarHBondContact O-CG 3.46Å; M181-K185 PolarHBondContact O-N 3.47Å; M181-I214 HydrophobicContact CE-CB 4.34Å; M181-I214 HydrophobicContact CE-CG1 4.42Å; M181-I214 HydrophobicContact CE-CG2 3.96Å; M181-R217 HydrophobicContact CE-CB 4.33Å; M181-R217 HydrophobicContact SD-CB 3.72Å; M181-R217 HydrophobicContact SD-CG 4.05Å; M181-N218 WeakPolarHBondContact CE-OD1 3.26Å; M181-K267 HydrophobicContact CG-CD 4.3Å |
| 182 | N | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.4 | -43.7 | 172.3 | -68.8 | -27.4 | 0 | 0 | 0 | 110.6 | Y178 D179 Y180 L184 K185 E186 | Y178-N182 WeakPolarHBondContact CE1-ND2 3.27Å; Y178-N182 PolarHBondContact O-N 2.97Å; Y178-N182 VanDerWaalsContact O-N 3.14Å; Y178-N182 PolarHBondContact O-ND2 2.93Å; D179-N182 PolarHBondContact O-N 3.48Å; D179-N182 VanDerWaalsContact O-N 3.11Å; Y180-N182 VanDerWaalsContact C-N 3.31Å; Y180-N182 PolarHBondContact O-N 3.16Å; N182-L184 PolarHBondContact O-N 2.86Å; N182-K185 WeakPolarHBondContact O-CB 3.4Å; N182-K185 PolarHBondContact O-N 3.48Å; N182-E186 PolarHBondContact O-N 3.34Å |
| 183 | S | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.6 | -46.7 | 173.6 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | T142 P143 D179 Y180 K185 E186 L187 | T142-S183 WeakPolarHBondContact CA-OG 3.4Å; P143-S183 WeakPolarHBondContact CD-OG 3.21Å; P143-S183 PolarHBondContact O-OG 3.35Å; D179-S183 PolarHBondContact O-N 2.82Å; D179-S183 PolarHBondContact O-OG 2.82Å; D179-S183 VanDerWaalsContact O-OG 3.06Å; Y180-S183 WeakPolarHBondContact O-CB 3.43Å; Y180-S183 PolarHBondContact O-N 3.47Å; S183-K185 VanDerWaalsContact C-N 3.31Å; S183-K185 PolarHBondContact O-N 3.46Å; S183-E186 PolarHBondContact O-N 3.46Å; S183-L187 VanDerWaalsContact O-CG 3.31Å; S183-L187 WeakPolarHBondContact O-CG 3.47Å; S183-L187 PolarHBondContact O-N 3.03Å |
| 184 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.3 | -70.3 | 178.8 | 0 | 0 | 0 | 112.8 | I166 Y180 M181 N182 L188 I210 Y213 I214 | I166-L184 HydrophobicContact CD1-CD2 3.91Å; I166-L184 HydrophobicContact CG1-CD2 3.84Å; Y180-L184 HydrophobicContact CD1-CD1 4.02Å; Y180-L184 HydrophobicContact CD1-CG 4.49Å; Y180-L184 HydrophobicContact CE1-CD1 3.47Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.47Å; Y180-L184 HydrophobicContact CE1-CG 4.13Å; Y180-L184 HydrophobicContact CE2-CD2 4.45Å; Y180-L184 HydrophobicContact CE2-CG 4.39Å; Y180-L184 WeakPolarHBondContact O-CG 3.39Å; Y180-L184 PolarHBondContact O-N 2.75Å; M181-L184 HydrophobicContact SD-CD1 4.12Å; N182-L184 PolarHBondContact O-N 2.86Å; L184-L188 WeakPolarHBondContact O-CB 3.21Å; L184-L188 PolarHBondContact O-N 3.31Å; L184-I210 WeakPolarHBondContact O-CG2 3.42Å; L184-Y213 HydrophobicContact CD2-CD1 4.21Å; L184-I214 HydrophobicContact CB-CD1 4.14Å; L184-I214 HydrophobicContact CB-CG1 3.82Å; L184-I214 HydrophobicContact CD1-CG1 4.06Å |
| 185 | K | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.8 | -39.8 | 176.6 | -70.7 | 167.1 | -169.6 | 167.2 | 0 | 111.7 | M181 N182 S183 L188 K189 I214 | M181-K185 WeakPolarHBondContact O-CD 3.47Å; M181-K185 VanDerWaalsContact O-CG 3.26Å; M181-K185 WeakPolarHBondContact O-CG 3.46Å; M181-K185 PolarHBondContact O-N 3.47Å; N182-K185 WeakPolarHBondContact O-CB 3.4Å; N182-K185 PolarHBondContact O-N 3.48Å; S183-K185 VanDerWaalsContact C-N 3.31Å; S183-K185 PolarHBondContact O-N 3.46Å; K185-L188 WeakPolarHBondContact O-CB 3.44Å; K185-L188 PolarHBondContact O-N 2.94Å; K185-K189 WeakPolarHBondContact O-CG 3.21Å; K185-K189 PolarHBondContact O-N 2.91Å; K185-I214 HydrophobicContact CG-CD1 4.46Å |
| 186 | E | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 44.6 Ų | 44.6 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -45 | 174.9 | -64.5 | -45.2 | 127.2 | 0 | 0 | 110.8 | N182 S183 L188 K189 I190 | N182-E186 PolarHBondContact O-N 3.34Å; S183-E186 PolarHBondContact O-N 3.46Å; E186-L188 VanDerWaalsContact C-N 3.28Å; E186-L188 PolarHBondContact O-N 3.46Å; E186-K189 WeakPolarHBondContact O-CB 3.31Å; E186-K189 PolarHBondContact O-N 3.4Å; E186-K189 IonicContact OE1-NZ 3.74Å; E186-K189 PolarHBondContact OE1-NZ 3.42Å; E186-K189 IonicContact OE2-NZ 2.67Å; E186-K189 PolarHBondContact OE2-NZ 3.27Å; E186-I190 PolarHBondContact O-N 3.25Å |
| 187 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.7 | -38.3 | 174.6 | -68.7 | 174 | 0 | 0 | 0 | 112.3 | L140 T142 A151 I160 I166 S183 K189 I190 I210 | L140-L187 HydrophobicContact CD1-CD2 3.97Å; T142-L187 HydrophobicContact CG2-CD1 4.15Å; T142-L187 HydrophobicContact CG2-CD2 3.96Å; T142-L187 HydrophobicContact CG2-CG 3.99Å; A151-L187 HydrophobicContact CB-CD2 3.98Å; I160-L187 HydrophobicContact CD1-CD2 4.03Å; I160-L187 HydrophobicContact CG2-CD2 4.22Å; I166-L187 HydrophobicContact CD1-CD1 4.18Å; S183-L187 VanDerWaalsContact O-CG 3.31Å; S183-L187 WeakPolarHBondContact O-CG 3.47Å; S183-L187 PolarHBondContact O-N 3.03Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 2.9Å; L187-I190 HydrophobicContact CD2-CD1 4.08Å; L187-I190 WeakPolarHBondContact O-CB 3.08Å; L187-I190 PolarHBondContact O-N 3.36Å; L187-I210 HydrophobicContact CB-CD1 4.29Å |
| 188 | L | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 28% | 0.277 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.3 | -34 | 176.1 | -171.7 | 62.3 | 0 | 0 | 0 | 112.5 | L184 K185 E186 I190 K191 E207 I210 Q211 I214 | L184-L188 WeakPolarHBondContact O-CB 3.21Å; L184-L188 PolarHBondContact O-N 3.31Å; K185-L188 WeakPolarHBondContact O-CB 3.44Å; K185-L188 PolarHBondContact O-N 2.94Å; E186-L188 VanDerWaalsContact C-N 3.28Å; E186-L188 PolarHBondContact O-N 3.46Å; L188-I190 VanDerWaalsContact C-N 3.28Å; L188-I190 PolarHBondContact O-N 3.37Å; L188-K191 PolarHBondContact O-N 2.95Å; L188-E207 HydrophobicContact CD1-CG 3.96Å; L188-I210 HydrophobicContact CB-CG2 3.8Å; L188-I210 HydrophobicContact CD1-CB 4.13Å; L188-I210 HydrophobicContact CD1-CG2 3.96Å; L188-I210 HydrophobicContact CG-CG2 4.37Å; L188-Q211 HydrophobicContact CD1-CG 3.99Å; L188-Q211 HydrophobicContact CD2-CG 4.43Å; L188-I214 HydrophobicContact CD2-CD1 4.05Å |
| 189 | K | 98.5 | Very high | 98.6 | Very high | 132 Ų | 132 | 39.5 Ų | 39.5 | 57% | 0.574 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -70.6 | -24.2 | 179.9 | -66.1 | 173.5 | -161.1 | 167.4 | 0 | 113.1 | K185 E186 L187 K191 | K185-K189 WeakPolarHBondContact O-CG 3.21Å; K185-K189 PolarHBondContact O-N 2.91Å; E186-K189 WeakPolarHBondContact O-CB 3.31Å; E186-K189 PolarHBondContact O-N 3.4Å; E186-K189 IonicContact OE1-NZ 3.74Å; E186-K189 PolarHBondContact OE1-NZ 3.42Å; E186-K189 IonicContact OE2-NZ 2.67Å; E186-K189 PolarHBondContact OE2-NZ 3.27Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 2.9Å; K189-K191 PolarHBondContact O-N 3.24Å |
| 190 | I | 98.2 | Very high | 98.6 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -30.4 | -179.7 | -59.7 | 177.7 | 0 | 0 | 0 | 110.9 | L140 L153 I160 E186 L187 L188 A192 | L140-I190 HydrophobicContact CD1-CD1 3.31Å; L140-I190 HydrophobicContact CD2-CD1 3.95Å; L140-I190 HydrophobicContact CG-CD1 4.25Å; L153-I190 HydrophobicContact CD1-CG2 3.98Å; L153-I190 HydrophobicContact CD2-CG2 4.18Å; I160-I190 HydrophobicContact CD1-CB 4.26Å; I160-I190 HydrophobicContact CD1-CD1 4.06Å; I160-I190 HydrophobicContact CD1-CG2 4.14Å; E186-I190 PolarHBondContact O-N 3.25Å; L187-I190 HydrophobicContact CD2-CD1 4.08Å; L187-I190 WeakPolarHBondContact O-CB 3.08Å; L187-I190 PolarHBondContact O-N 3.36Å; L188-I190 VanDerWaalsContact C-N 3.28Å; L188-I190 PolarHBondContact O-N 3.37Å; I190-A192 VanDerWaalsContact C-N 3.28Å; I190-A192 HydrophobicContact CG2-CB 4.43Å; I190-A192 PolarHBondContact O-N 2.89Å |
| 191 | K | 98.1 | Very high | 98.5 | Very high | 156 Ų | 156 | 38.4 Ų | 38.4 | 68% | 0.678 | 19% | 0.187 | S | C | * | . | trans | 54.4 | 45 | -176.1 | -56.2 | 179 | -178.6 | -177.2 | 0 | 112.1 | N158 L188 K189 | N158-K191 PolarHBondContact ND2-O 3.04Å; L188-K191 PolarHBondContact O-N 2.95Å; K189-K191 PolarHBondContact O-N 3.24Å | ||
| 192 | A | 98.5 | Very high | 98.5 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | trans | -61 | 152.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N158 I160 I190 A206 | N158-A192 CarbonylContact O-C 3.55Å; N158-A192 VanDerWaalsContact O-CA 3.31Å; N158-A192 WeakPolarHBondContact O-CA 3.37Å; N158-A192 WeakPolarHBondContact O-CB 3.49Å; I160-A192 HydrophobicContact CB-CB 4.46Å; I160-A192 HydrophobicContact CD1-CB 3.41Å; I160-A192 VanDerWaalsContact CD1-CB 3.41Å; I160-A192 HydrophobicContact CG1-CB 3.63Å; I190-A192 VanDerWaalsContact C-N 3.28Å; I190-A192 HydrophobicContact CG2-CB 4.43Å; I190-A192 PolarHBondContact O-N 2.89Å; A192-A206 HydrophobicContact CB-CB 4.35Å; A192-A206 VanDerWaalsContact O-CB 3.31Å; A192-A206 WeakPolarHBondContact O-CB 3.39Å | ||
| 193 | D | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 38 Ų | 38 | 55% | 0.551 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -85.9 | -39.9 | 176.9 | -64.4 | -54.9 | 0 | 0 | 0 | 110.7 | N158 H204 A206 | N158-D193 WeakPolarHBondContact CB-OD2 3.46Å; N158-D193 PolarHBondContact ND2-N 3.45Å; N158-D193 PolarHBondContact ND2-OD2 2.75Å; N158-D193 PolarHBondContact O-N 3.44Å; D193-H204 CarbonylContact O-C 3.57Å; D193-A206 PolarHBondContact O-N 2.97Å |
| 194 | I | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 45 Ų | 45 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145 | -168.9 | -166.1 | 172.2 | 0 | 0 | 0 | 111.4 | A159 I160 Y196 V202 I203 | A159-I194 WeakPolarHBondContact CA-O 3.24Å; A159-I194 HydrophobicContact CB-CG2 3.23Å; I160-I194 PolarHBondContact N-O 2.72Å; I194-Y196 HydrophobicContact CD1-CE1 3.78Å; I194-Y196 HydrophobicContact CG1-CE1 4.24Å; I194-Y196 HydrophobicContact CG2-CE2 4.36Å; I194-V202 HydrophobicContact CD1-CG1 3.48Å; I194-V202 VanDerWaalsContact CD1-CG1 3.48Å; I194-V202 HydrophobicContact CG1-CG1 3.49Å; I194-V202 VanDerWaalsContact CG1-CG1 3.49Å; I194-I203 CarbonylContact C-O 3.58Å; I194-I203 WeakPolarHBondContact CA-O 3.09Å; I194-I203 WeakPolarHBondContact CG1-O 3.5Å |
| 195 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.1 | 171.8 | -63.9 | 162.7 | 0 | 0 | 0 | 109.6 | I160 S162 I166 P197 I203 A206 I210 | I160-I195 HydrophobicContact CB-CG1 4.31Å; I160-I195 CarbonylContact O-C 3.6Å; I160-I195 VanDerWaalsContact O-CA 3.28Å; I160-I195 WeakPolarHBondContact O-CA 3.44Å; S162-I195 WeakPolarHBondContact OG-CG2 3.09Å; I166-I195 HydrophobicContact CD1-CD1 3.95Å; I166-I195 HydrophobicContact CG2-CD1 4.28Å; I195-P197 WeakPolarHBondContact O-CD 3.35Å; I195-I203 HydrophobicContact CB-CB 4.05Å; I195-I203 HydrophobicContact CB-CD1 3.95Å; I195-I203 HydrophobicContact CD1-CD1 4.49Å; I195-I203 HydrophobicContact CG2-CD1 3.86Å; I195-I203 PolarHBondContact N-O 3.06Å; I195-I203 PolarHBondContact O-N 2.61Å; I195-A206 HydrophobicContact CD1-CB 3.66Å; I195-A206 HydrophobicContact CG1-CB 3.63Å; I195-I210 HydrophobicContact CD1-CD1 4.24Å; I195-I210 HydrophobicContact CD1-CG1 4.11Å |
| 196 | Y | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 96.3 | 169.7 | -59.9 | -53.9 | 0 | 0 | 0 | 108.7 | L11 V15 Y34 E157 A159 I160 F161 S162 I194 V202 | L11-Y196 HydrophobicContact CB-CE1 4.15Å; L11-Y196 HydrophobicContact CD1-CD1 3.77Å; L11-Y196 HydrophobicContact CD1-CE1 3.86Å; V15-Y196 HydrophobicContact CB-CE2 4.32Å; V15-Y196 HydrophobicContact CG1-CD2 4.38Å; V15-Y196 HydrophobicContact CG1-CE1 4.44Å; V15-Y196 HydrophobicContact CG1-CE2 4.23Å; V15-Y196 HydrophobicContact CG2-CD2 4.46Å; V15-Y196 HydrophobicContact CG2-CE2 3.76Å; Y34-Y196 HydrophobicContact CE1-CG 4.41Å; E157-Y196 PolarHBondContact OE2-OH 3.14Å; A159-Y196 HydrophobicContact CB-CD2 4.05Å; A159-Y196 HydrophobicContact CB-CE2 3.55Å; I160-Y196 PolarHBondContact O-N 3.2Å; F161-Y196 VanDerWaalsContact CA-O 3.3Å; F161-Y196 WeakPolarHBondContact CA-O 3.3Å; F161-Y196 VanDerWaalsContact CD1-CB 3.47Å; F161-Y196 AromaticContact CD1-CD2 3.88Å; F161-Y196 HydrophobicContact CD1-CD2 3.88Å; F161-Y196 HydrophobicContact CD1-CG 4.09Å; F161-Y196 AromaticContact CE1-CD2 3.45Å; F161-Y196 HydrophobicContact CE1-CD2 3.45Å; F161-Y196 VanDerWaalsContact CE1-CD2 3.45Å; F161-Y196 HydrophobicContact CE1-CE2 4.31Å; F161-Y196 AromaticContact CE1-CG 3.86Å; F161-Y196 HydrophobicContact CE1-CG 3.86Å; F161-Y196 HydrophobicContact CE2-CD2 4.24Å; F161-Y196 HydrophobicContact CG-CD2 4.41Å; F161-Y196 AromaticContact CZ-CD2 3.65Å; F161-Y196 HydrophobicContact CZ-CD2 3.65Å; F161-Y196 HydrophobicContact CZ-CE2 4.16Å; F161-Y196 HydrophobicContact CZ-CG 4.49Å; S162-Y196 PolarHBondContact N-O 3.05Å; S162-Y196 VanDerWaalsContact N-O 3.13Å; I194-Y196 HydrophobicContact CD1-CE1 3.78Å; I194-Y196 HydrophobicContact CG1-CE1 4.24Å; I194-Y196 HydrophobicContact CG2-CE2 4.36Å; Y196-V202 HydrophobicContact CD1-CG1 3.93Å; Y196-V202 HydrophobicContact CD1-CG2 4.01Å; Y196-V202 HydrophobicContact CE1-CG1 3.95Å; Y196-V202 HydrophobicContact CE1-CG2 4.3Å |
| 197 | P | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 161.3 | -170.5 | 33.3 | -37 | 0 | 0 | 0 | 113.5 | N32 Y34 S162 I166 I195 H199 P201 | N32-P197 WeakPolarHBondContact CB-O 3.39Å; N32-P197 PolarHBondContact ND2-O 2.96Å; Y34-P197 PolarHBondContact OH-O 3.42Å; S162-P197 WeakPolarHBondContact OG-CA 3.15Å; I166-P197 VanDerWaalsContact O-CB 3.24Å; I166-P197 WeakPolarHBondContact O-CB 3.5Å; I195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-H199 WeakPolarHBondContact CB-O 3.26Å; P197-H199 VanDerWaalsContact CG-O 3.28Å; P197-H199 WeakPolarHBondContact CG-O 3.34Å; P197-H199 PolarHBondContact O-N 3.22Å; P197-P201 VanDerWaalsContact CG-O 3.29Å; P197-P201 WeakPolarHBondContact CG-O 3.27Å |
| 198 | G | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -62.6 | -30.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N32 G163 | N32-G198 WeakPolarHBondContact CB-O 3.5Å; N32-G198 PolarHBondContact N-O 3.49Å; G163-G198 WeakPolarHBondContact O-CA 3.28Å; G163-G198 PolarHBondContact O-N 3.21Å |
| 199 | H | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -138.4 | 148.8 | 173.4 | -56 | -72.2 | 0 | 0 | 0 | 113 | T27 L28 G30 T31 D81 H82 D164 L167 G168 P197 | T27-H199 WeakPolarHBondContact CA-ND1 3.44Å; T27-H199 PolarHBondContact O-ND1 3.19Å; T27-H199 VanDerWaalsContact O-ND1 3.14Å; L28-H199 HydrophobicContact CB-CB 4.39Å; L28-H199 HydrophobicContact CD1-CB 3.84Å; L28-H199 HydrophobicContact CG-CB 4.13Å; G30-H199 PolarHBondContact O-ND1 3.03Å; T31-H199 WeakPolarHBondContact CA-ND1 3.35Å; T31-H199 PolarHBondContact OG1-CE1 3Å; T31-H199 VanDerWaalsContact OG1-CE1 3.31Å; D81-H199 IonicContact OD2-CE1 3.12Å; D81-H199 PolarHBondContact OD2-CE1 3.21Å; D81-H199 IonicContact OD2-NE2 3.43Å; D81-H199 PolarHBondContact OD2-NE2 2.97Å; H82-H199 AromaticContact NE2-CE1 3.96Å; H82-H199 AromaticContact NE2-NE2 3.45Å; H82-H199 PolarHBondContact NE2-NE2 2.86Å; D164-H199 IonicContact OD1-CD2 2.59Å; D164-H199 PolarHBondContact OD1-CD2 2.63Å; D164-H199 IonicContact OD1-NE2 2.61Å; D164-H199 PolarHBondContact OD1-NE2 3.37Å; D164-H199 IonicContact OD2-CD2 3.26Å; D164-H199 PolarHBondContact OD2-CD2 2.92Å; D164-H199 IonicContact OD2-NE2 2.65Å; D164-H199 PolarHBondContact OD2-NE2 3.43Å; L167-H199 HydrophobicContact CD2-CB 4.1Å; G168-H199 PolarHBondContact N-O 3.31Å; P197-H199 WeakPolarHBondContact CB-O 3.26Å; P197-H199 VanDerWaalsContact CG-O 3.28Å; P197-H199 WeakPolarHBondContact CG-O 3.34Å; P197-H199 PolarHBondContact O-N 3.22Å |
| 200 | G | 98 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 82.7 | -174.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N32 | N32-G200 PolarHBondContact ND2-O 2.98Š|
| 201 | P | 97.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -71.6 | 161.5 | -175.3 | 29.9 | -35.8 | 0 | 0 | 0 | 112.9 | A3 L5 G168 E169 P197 | A3-P201 HydrophobicContact CB-CG 4.47Å; L5-P201 HydrophobicContact CD2-CB 4.11Å; G168-P201 WeakPolarHBondContact CA-O 3.44Å; E169-P201 HydrophobicContact CG-CG 4.16Å; P197-P201 VanDerWaalsContact CG-O 3.29Å; P197-P201 WeakPolarHBondContact CG-O 3.27Å |
| 202 | V | 98.5 | Very high | 98.4 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | trans | -59.7 | 141.6 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 111 | L11 I194 Y196 | L11-V202 HydrophobicContact CD1-CG2 3.6Å; L11-V202 HydrophobicContact CD2-CG2 3.81Å; L11-V202 HydrophobicContact CG-CG2 4.28Å; I194-V202 HydrophobicContact CD1-CG1 3.48Å; I194-V202 VanDerWaalsContact CD1-CG1 3.48Å; I194-V202 HydrophobicContact CG1-CG1 3.49Å; I194-V202 VanDerWaalsContact CG1-CG1 3.49Å; Y196-V202 HydrophobicContact CD1-CG1 3.93Å; Y196-V202 HydrophobicContact CD1-CG2 4.01Å; Y196-V202 HydrophobicContact CE1-CG1 3.95Å; Y196-V202 HydrophobicContact CE1-CG2 4.3Å | ||
| 203 | I | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 111.3 | 177.5 | -61.5 | 147.9 | 0 | 0 | 0 | 108.4 | I166 I194 I195 K209 | I166-I203 HydrophobicContact CG2-CD1 3.86Å; I194-I203 CarbonylContact C-O 3.58Å; I194-I203 WeakPolarHBondContact CA-O 3.09Å; I194-I203 WeakPolarHBondContact CG1-O 3.5Å; I195-I203 HydrophobicContact CB-CB 4.05Å; I195-I203 HydrophobicContact CB-CD1 3.95Å; I195-I203 HydrophobicContact CD1-CD1 4.49Å; I195-I203 HydrophobicContact CG2-CD1 3.86Å; I195-I203 PolarHBondContact N-O 3.06Å; I195-I203 PolarHBondContact O-N 2.61Å; I203-K209 HydrophobicContact CD1-CD 4.48Å; I203-K209 HydrophobicContact CD1-CG 3.93Å; I203-K209 HydrophobicContact CG1-CG 4.35Å; I203-K209 HydrophobicContact CG2-CB 3.63Å; I203-K209 HydrophobicContact CG2-CG 3.96Å |
| 204 | H | 98 | Very high | 98.4 | Very high | 153 Ų | 153 | 36.2 Ų | 36.2 | 71% | 0.708 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -86.6 | -2.6 | -178.3 | -65.6 | -74 | 0 | 0 | 0 | 115 | D193 | D193-H204 CarbonylContact O-C 3.57Š|
| 205 | N | 97.9 | Very high | 98.4 | Very high | 94 Ų | 94 | 37.9 Ų | 37.9 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | trans | -131.9 | 83.1 | 172.4 | -173.1 | -23.2 | 0 | 0 | 0 | 108.4 | A208 K209 | N205-A208 HydrophobicContact CB-CB 4.24Å; N205-A208 VanDerWaalsContact CG-CB 3.42Å; N205-A208 VanDerWaalsContact OD1-CB 3.24Å; N205-A208 WeakPolarHBondContact OD1-CB 3.43Å; N205-A208 PolarHBondContact OD1-N 3.11Å; N205-K209 PolarHBondContact O-N 3.38Å | ||
| 206 | A | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A192 D193 I195 A208 K209 I210 | A192-A206 HydrophobicContact CB-CB 4.35Å; A192-A206 VanDerWaalsContact O-CB 3.31Å; A192-A206 WeakPolarHBondContact O-CB 3.39Å; D193-A206 PolarHBondContact O-N 2.97Å; I195-A206 HydrophobicContact CD1-CB 3.66Å; I195-A206 HydrophobicContact CG1-CB 3.63Å; A206-A208 PolarHBondContact O-N 3.35Å; A206-K209 PolarHBondContact O-N 2.96Å; A206-I210 WeakPolarHBondContact O-CD1 3.48Å; A206-I210 VanDerWaalsContact O-CG1 3.24Å; A206-I210 WeakPolarHBondContact O-CG1 3.36Å; A206-I210 PolarHBondContact O-N 2.7Å |
| 207 | E | 98.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 43.4 Ų | 43.4 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.4 | -51.2 | -179.9 | -177.2 | 177.9 | -177.1 | 0 | 0 | 111.6 | L188 K209 I210 Q211 | L188-E207 HydrophobicContact CD1-CG 3.96Å; E207-K209 VanDerWaalsContact C-N 3.31Å; E207-K209 PolarHBondContact O-N 3.3Å; E207-I210 PolarHBondContact O-N 2.87Å; E207-Q211 HydrophobicContact CG-CG 4.41Å; E207-Q211 WeakPolarHBondContact O-CB 3.18Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.18Å; E207-Q211 PolarHBondContact O-N 3.14Å; E207-Q211 PolarHBondContact OE1-NE2 3.44Å |
| 208 | A | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 46 Ų | 46 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -39.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | N205 A206 Q212 | N205-A208 HydrophobicContact CB-CB 4.24Å; N205-A208 VanDerWaalsContact CG-CB 3.42Å; N205-A208 VanDerWaalsContact OD1-CB 3.24Å; N205-A208 WeakPolarHBondContact OD1-CB 3.43Å; N205-A208 PolarHBondContact OD1-N 3.11Å; A206-A208 PolarHBondContact O-N 3.35Å; A208-Q212 WeakPolarHBondContact O-CB 3.33Å; A208-Q212 PolarHBondContact O-N 3.45Å |
| 209 | K | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 178.3 | -173 | 68.4 | 139.8 | 179.4 | 0 | 112.1 | I166 L167 G168 I203 N205 A206 E207 Q212 Y213 | I166-K209 HydrophobicContact CG2-CG 3.77Å; L167-K209 WeakPolarHBondContact O-CE 3.36Å; L167-K209 PolarHBondContact O-NZ 3.08Å; G168-K209 PolarHBondContact O-NZ 3.3Å; I203-K209 HydrophobicContact CD1-CD 4.48Å; I203-K209 HydrophobicContact CD1-CG 3.93Å; I203-K209 HydrophobicContact CG1-CG 4.35Å; I203-K209 HydrophobicContact CG2-CB 3.63Å; I203-K209 HydrophobicContact CG2-CG 3.96Å; N205-K209 PolarHBondContact O-N 3.38Å; A206-K209 PolarHBondContact O-N 2.96Å; E207-K209 VanDerWaalsContact C-N 3.31Å; E207-K209 PolarHBondContact O-N 3.3Å; K209-Q212 WeakPolarHBondContact O-CB 3.12Å; K209-Q212 PolarHBondContact O-N 3.45Å; K209-Y213 HydrophobicContact CD-CD2 4.34Å; K209-Y213 HydrophobicContact CD-CE2 4.06Å; K209-Y213 HydrophobicContact CG-CD2 4.49Å; K209-Y213 HydrophobicContact CG-CE2 4.4Å; K209-Y213 WeakPolarHBondContact O-CD2 3.43Å; K209-Y213 PolarHBondContact O-N 2.71Å |
| 210 | I | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.1 | -63.4 | 160.3 | 0 | 0 | 0 | 110 | I166 L184 L187 L188 I195 A206 E207 Q212 Y213 I214 | I166-I210 HydrophobicContact CD1-CB 4.48Å; I166-I210 HydrophobicContact CD1-CD1 4.42Å; I166-I210 HydrophobicContact CD1-CG1 3.47Å; I166-I210 VanDerWaalsContact CD1-CG1 3.47Å; L184-I210 WeakPolarHBondContact O-CG2 3.42Å; L187-I210 HydrophobicContact CB-CD1 4.29Å; L188-I210 HydrophobicContact CB-CG2 3.8Å; L188-I210 HydrophobicContact CD1-CB 4.13Å; L188-I210 HydrophobicContact CD1-CG2 3.96Å; L188-I210 HydrophobicContact CG-CG2 4.37Å; I195-I210 HydrophobicContact CD1-CD1 4.24Å; I195-I210 HydrophobicContact CD1-CG1 4.11Å; A206-I210 WeakPolarHBondContact O-CD1 3.48Å; A206-I210 VanDerWaalsContact O-CG1 3.24Å; A206-I210 WeakPolarHBondContact O-CG1 3.36Å; A206-I210 PolarHBondContact O-N 2.7Å; E207-I210 PolarHBondContact O-N 2.87Å; I210-Q212 VanDerWaalsContact C-N 3.33Å; I210-Q212 PolarHBondContact O-N 3.38Å; I210-Y213 WeakPolarHBondContact O-CB 3.35Å; I210-Y213 PolarHBondContact O-N 3.48Å; I210-I214 HydrophobicContact CG2-CD1 3.87Å; I210-I214 HydrophobicContact CG2-CG1 4.46Å; I210-I214 WeakPolarHBondContact O-CG1 3.42Å; I210-I214 PolarHBondContact O-N 2.98Å |
| 211 | Q | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 175.9 | -73.4 | 176.9 | -3.2 | 0 | 0 | 112.3 | L188 E207 I214 S215 | L188-Q211 HydrophobicContact CD1-CG 3.99Å; L188-Q211 HydrophobicContact CD2-CG 4.43Å; E207-Q211 HydrophobicContact CG-CG 4.41Å; E207-Q211 WeakPolarHBondContact O-CB 3.18Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.18Å; E207-Q211 PolarHBondContact O-N 3.14Å; E207-Q211 PolarHBondContact OE1-NE2 3.44Å; Q211-I214 PolarHBondContact O-N 3.19Å; Q211-S215 WeakPolarHBondContact O-CB 3.49Å; Q211-S215 PolarHBondContact O-N 3.42Å; Q211-S215 PolarHBondContact O-OG 3.04Å |
| 212 | Q | 98.4 | Very high | 97.9 | Very high | 117 Ų | 117 | 56.5 Ų | 56.5 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.1 | -179.7 | -173 | -15.5 | 0 | 0 | 111.1 | A208 K209 I210 S215 H216 | A208-Q212 WeakPolarHBondContact O-CB 3.33Å; A208-Q212 PolarHBondContact O-N 3.45Å; K209-Q212 WeakPolarHBondContact O-CB 3.12Å; K209-Q212 PolarHBondContact O-N 3.45Å; I210-Q212 VanDerWaalsContact C-N 3.33Å; I210-Q212 PolarHBondContact O-N 3.38Å; Q212-S215 PolarHBondContact O-N 3.19Å; Q212-H216 WeakPolarHBondContact O-CB 3.11Å; Q212-H216 PolarHBondContact O-N 2.71Å |
| 213 | Y | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 177.5 | -91.2 | -136.2 | 0 | 0 | 0 | 111.6 | I166 L167 G170 T171 T172 Y180 L184 K209 I210 S215 H216 R217 | I166-Y213 HydrophobicContact CB-CE1 4.21Å; I166-Y213 HydrophobicContact CG1-CD1 4.12Å; I166-Y213 HydrophobicContact CG1-CE1 4.14Å; I166-Y213 HydrophobicContact CG2-CE1 4.1Å; I166-Y213 HydrophobicContact CG2-CE2 4.32Å; L167-Y213 PolarHBondContact N-OH 2.59Å; L167-Y213 PolarHBondContact O-OH 2.79Å; G170-Y213 WeakPolarHBondContact O-CE2 3.22Å; G170-Y213 PolarHBondContact O-OH 2.79Å; T171-Y213 WeakPolarHBondContact CA-OH 3.4Å; T172-Y213 HydrophobicContact CG2-CE1 4.42Å; Y180-Y213 WeakPolarHBondContact OH-CD1 3.18Å; Y180-Y213 WeakPolarHBondContact OH-CE1 3.43Å; L184-Y213 HydrophobicContact CD2-CD1 4.21Å; K209-Y213 HydrophobicContact CD-CD2 4.34Å; K209-Y213 HydrophobicContact CD-CE2 4.06Å; K209-Y213 HydrophobicContact CG-CD2 4.49Å; K209-Y213 HydrophobicContact CG-CE2 4.4Å; K209-Y213 WeakPolarHBondContact O-CD2 3.43Å; K209-Y213 PolarHBondContact O-N 2.71Å; I210-Y213 WeakPolarHBondContact O-CB 3.35Å; I210-Y213 PolarHBondContact O-N 3.48Å; Y213-S215 PolarHBondContact O-N 3.31Å; Y213-H216 PolarHBondContact O-N 2.86Å; Y213-R217 WeakPolarHBondContact O-CG 3.11Å; Y213-R217 PolarHBondContact O-N 3.03Å |
| 214 | I | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 178.2 | -69.6 | 170.7 | 0 | 0 | 0 | 110.6 | M181 L184 K185 L188 I210 Q211 H216 R217 N218 | M181-I214 HydrophobicContact CE-CB 4.34Å; M181-I214 HydrophobicContact CE-CG1 4.42Å; M181-I214 HydrophobicContact CE-CG2 3.96Å; L184-I214 HydrophobicContact CB-CD1 4.14Å; L184-I214 HydrophobicContact CB-CG1 3.82Å; L184-I214 HydrophobicContact CD1-CG1 4.06Å; K185-I214 HydrophobicContact CG-CD1 4.46Å; L188-I214 HydrophobicContact CD2-CD1 4.05Å; I210-I214 HydrophobicContact CG2-CD1 3.87Å; I210-I214 HydrophobicContact CG2-CG1 4.46Å; I210-I214 WeakPolarHBondContact O-CG1 3.42Å; I210-I214 PolarHBondContact O-N 2.98Å; Q211-I214 PolarHBondContact O-N 3.19Å; I214-H216 PolarHBondContact O-N 3.41Å; I214-R217 PolarHBondContact O-N 3.35Å; I214-N218 WeakPolarHBondContact CG2-ND2 3.29Å; I214-N218 WeakPolarHBondContact O-CB 3.4Å; I214-N218 VanDerWaalsContact O-CG 3.29Å; I214-N218 PolarHBondContact O-N 2.86Å; I214-N218 PolarHBondContact O-ND2 3.26Å |
| 215 | S | 98.2 | Very high | 97.6 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | -178 | -60 | 0 | 0 | 0 | 0 | 111.6 | Q211 Q212 Y213 R217 N218 I219 | Q211-S215 WeakPolarHBondContact O-CB 3.49Å; Q211-S215 PolarHBondContact O-N 3.42Å; Q211-S215 PolarHBondContact O-OG 3.04Å; Q212-S215 PolarHBondContact O-N 3.19Å; Y213-S215 PolarHBondContact O-N 3.31Å; S215-R217 VanDerWaalsContact C-N 3.31Å; S215-R217 PolarHBondContact O-N 3.07Å; S215-N218 PolarHBondContact O-N 3.25Å; S215-I219 VanDerWaalsContact O-CG1 3.31Å; S215-I219 WeakPolarHBondContact O-CG1 3.35Å; S215-I219 PolarHBondContact O-N 2.84Å |
| 216 | H | 96.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 178.9 | 177.6 | 63.8 | 0 | 0 | 0 | 112.2 | Q212 Y213 I214 | Q212-H216 WeakPolarHBondContact O-CB 3.11Å; Q212-H216 PolarHBondContact O-N 2.71Å; Y213-H216 PolarHBondContact O-N 2.86Å; I214-H216 PolarHBondContact O-N 3.41Å |
| 217 | R | 96.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.2 | -40.5 | 177.6 | -58 | -50.8 | -178.3 | -164.7 | 10.3 | 112 | T171 T172 L177 M181 Y213 I214 S215 I219 R220 E221 H264 | T171-R217 PolarHBondContact OG1-NH2 2.87Å; T172-R217 PolarHBondContact O-NH2 2.93Å; L177-R217 HydrophobicContact CD1-CG 4.38Å; M181-R217 HydrophobicContact CE-CB 4.33Å; M181-R217 HydrophobicContact SD-CB 3.72Å; M181-R217 HydrophobicContact SD-CG 4.05Å; Y213-R217 WeakPolarHBondContact O-CG 3.11Å; Y213-R217 PolarHBondContact O-N 3.03Å; I214-R217 PolarHBondContact O-N 3.35Å; S215-R217 VanDerWaalsContact C-N 3.31Å; S215-R217 PolarHBondContact O-N 3.07Å; R217-I219 VanDerWaalsContact C-N 3.3Å; R217-I219 PolarHBondContact O-N 2.74Å; R217-R220 PolarHBondContact O-N 3.11Å; R217-E221 PolarHBondContact O-N 2.87Å; R217-H264 PolarHBondContact O-CE1 3.21Å; R217-H264 VanDerWaalsContact O-CE1 3.31Å |
| 218 | N | 97.6 | Very high | 97.3 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 178 | -75.5 | -16.9 | 0 | 0 | 0 | 112.9 | M181 I214 S215 R220 E221 Q222 | M181-N218 WeakPolarHBondContact CE-OD1 3.26Å; I214-N218 WeakPolarHBondContact CG2-ND2 3.29Å; I214-N218 WeakPolarHBondContact O-CB 3.4Å; I214-N218 VanDerWaalsContact O-CG 3.29Å; I214-N218 PolarHBondContact O-N 2.86Å; I214-N218 PolarHBondContact O-ND2 3.26Å; S215-N218 PolarHBondContact O-N 3.25Å; N218-R220 VanDerWaalsContact C-N 3.32Å; N218-R220 PolarHBondContact O-N 3.08Å; N218-E221 PolarHBondContact O-N 2.68Å; N218-Q222 WeakPolarHBondContact O-CG 3.37Å; N218-Q222 PolarHBondContact O-N 3.29Å |
| 219 | I | 97.1 | Very high | 97.1 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 53% | 0.528 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.8 | -72.2 | 163 | 0 | 0 | 0 | 110.7 | S215 R217 Q222 Q223 | S215-I219 VanDerWaalsContact O-CG1 3.31Å; S215-I219 WeakPolarHBondContact O-CG1 3.35Å; S215-I219 PolarHBondContact O-N 2.84Å; R217-I219 VanDerWaalsContact C-N 3.3Å; R217-I219 PolarHBondContact O-N 2.74Å; I219-Q222 PolarHBondContact O-N 2.67Å; I219-Q223 WeakPolarHBondContact O-CG 3.2Å; I219-Q223 PolarHBondContact O-N 3.22Å |
| 220 | R | 95.5 | Very high | 97 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178.4 | -178.5 | 61.4 | 67.6 | 179.1 | 14.2 | 111.6 | R217 N218 Q222 Q223 I224 I245 Y246 H264 | R217-R220 PolarHBondContact O-N 3.11Å; N218-R220 VanDerWaalsContact C-N 3.32Å; N218-R220 PolarHBondContact O-N 3.08Å; R220-Q222 VanDerWaalsContact C-N 3.34Å; R220-Q222 PolarHBondContact O-N 2.74Å; R220-Q223 WeakPolarHBondContact O-CB 3.48Å; R220-Q223 PolarHBondContact O-N 3.26Å; R220-I224 HydrophobicContact CG-CD1 4.23Å; R220-I224 WeakPolarHBondContact O-CG1 3.33Å; R220-I224 PolarHBondContact O-N 3.4Å; R220-I245 PolarHBondContact NH1-O 2.94Å; R220-Y246 VanDerWaalsContact CZ-CE1 3.5Å; R220-H264 WeakPolarHBondContact CG-NE2 3.36Å |
| 221 | E | 97.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.3 | -177.6 | 167.5 | 120 | 0 | 0 | 112.2 | R217 N218 Q223 I224 L225 K267 L268 K273 | R217-E221 PolarHBondContact O-N 2.87Å; N218-E221 PolarHBondContact O-N 2.68Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.02Å; E221-I224 WeakPolarHBondContact O-CB 3.44Å; E221-I224 PolarHBondContact O-N 3.18Å; E221-L225 HydrophobicContact CG-CD1 4Å; E221-L225 HydrophobicContact CG-CG 4.36Å; E221-L225 WeakPolarHBondContact O-CG 3.24Å; E221-L225 PolarHBondContact O-N 2.92Å; E221-K267 VanDerWaalsContact CD-NZ 3.31Å; E221-K267 IonicContact OE1-NZ 3.21Å; E221-K267 PolarHBondContact OE1-NZ 2.63Å; E221-K267 WeakPolarHBondContact OE2-CE 3.4Å; E221-K267 IonicContact OE2-NZ 3.11Å; E221-K267 PolarHBondContact OE2-NZ 3.21Å; E221-L268 HydrophobicContact CG-CD2 3.88Å; E221-L268 HydrophobicContact CG-CG 4.48Å; E221-K273 IonicContact OE1-NZ 2.63Å |
| 222 | Q | 97.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.9 | -70.5 | -54.2 | -38.7 | 0 | 0 | 112.1 | N218 I219 R220 I224 L225 T226 R229 | N218-Q222 WeakPolarHBondContact O-CG 3.37Å; N218-Q222 PolarHBondContact O-N 3.29Å; I219-Q222 PolarHBondContact O-N 2.67Å; R220-Q222 VanDerWaalsContact C-N 3.34Å; R220-Q222 PolarHBondContact O-N 2.74Å; Q222-I224 VanDerWaalsContact C-N 3.3Å; Q222-I224 PolarHBondContact O-N 3.2Å; Q222-L225 PolarHBondContact O-N 3.16Å; Q222-T226 WeakPolarHBondContact O-CB 3.26Å; Q222-T226 PolarHBondContact O-N 3.33Å; Q222-T226 PolarHBondContact O-OG1 3.28Å; Q222-R229 VanDerWaalsContact OE1-NH2 3.1Å |
| 223 | Q | 96.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.6 | -68.7 | 170.4 | -13.2 | 0 | 0 | 112 | I219 R220 E221 L227 | I219-Q223 WeakPolarHBondContact O-CG 3.2Å; I219-Q223 PolarHBondContact O-N 3.22Å; R220-Q223 WeakPolarHBondContact O-CB 3.48Å; R220-Q223 PolarHBondContact O-N 3.26Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.02Å; Q223-L227 PolarHBondContact O-N 3.21Å; Q223-L227 VanDerWaalsContact O-N 3.12Å |
| 224 | I | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 177.7 | -62.8 | 161.9 | 0 | 0 | 0 | 110.4 | R220 E221 Q222 T226 L227 F228 I245 L261 H264 L265 L268 | R220-I224 HydrophobicContact CG-CD1 4.23Å; R220-I224 WeakPolarHBondContact O-CG1 3.33Å; R220-I224 PolarHBondContact O-N 3.4Å; E221-I224 WeakPolarHBondContact O-CB 3.44Å; E221-I224 PolarHBondContact O-N 3.18Å; Q222-I224 VanDerWaalsContact C-N 3.3Å; Q222-I224 PolarHBondContact O-N 3.2Å; I224-T226 PolarHBondContact O-N 2.84Å; I224-L227 PolarHBondContact O-N 3.21Å; I224-F228 HydrophobicContact CG2-CD2 3.76Å; I224-F228 HydrophobicContact CG2-CE2 3.66Å; I224-F228 VanDerWaalsContact O-CD2 3.29Å; I224-F228 WeakPolarHBondContact O-CD2 3.49Å; I224-F228 PolarHBondContact O-N 3.45Å; I224-F228 VanDerWaalsContact O-N 3.08Å; I224-I245 HydrophobicContact CB-CD1 4.18Å; I224-I245 HydrophobicContact CG1-CD1 3.5Å; I224-L261 HydrophobicContact CD1-CD1 3.46Å; I224-L261 VanDerWaalsContact CD1-CD1 3.46Å; I224-L261 HydrophobicContact CG1-CD1 3.69Å; I224-H264 HydrophobicContact CD1-CB 3.3Å; I224-L265 HydrophobicContact CG2-CD2 4.14Å; I224-L268 HydrophobicContact CB-CD1 4.35Å; I224-L268 HydrophobicContact CG2-CD1 3.67Å |
| 225 | L | 96.2 | Very high | 95.7 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | -179.4 | -73.2 | 174.9 | 0 | 0 | 0 | 112.9 | E221 Q222 R229 L268 K273 | E221-L225 HydrophobicContact CG-CD1 4Å; E221-L225 HydrophobicContact CG-CG 4.36Å; E221-L225 WeakPolarHBondContact O-CG 3.24Å; E221-L225 PolarHBondContact O-N 2.92Å; Q222-L225 PolarHBondContact O-N 3.16Å; L225-R229 WeakPolarHBondContact O-CB 3.45Å; L225-R229 WeakPolarHBondContact O-CG 3.36Å; L225-R229 PolarHBondContact O-N 3.29Å; L225-R229 PolarHBondContact O-NE 2.74Å; L225-L268 HydrophobicContact CD1-CD2 4.19Å; L225-L268 HydrophobicContact CD2-CD1 4Å; L225-L268 HydrophobicContact CD2-CD2 3.79Å; L225-L268 HydrophobicContact CG-CD1 4.25Å; L225-L268 HydrophobicContact CG-CD2 4.08Å; L225-K273 HydrophobicContact CD2-CB 4.38Å; L225-K273 HydrophobicContact CD2-CD 4.24Å |
| 226 | T | 96.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | Q222 I224 F228 R229 E230 | Q222-T226 WeakPolarHBondContact O-CB 3.26Å; Q222-T226 PolarHBondContact O-N 3.33Å; Q222-T226 PolarHBondContact O-OG1 3.28Å; I224-T226 PolarHBondContact O-N 2.84Å; T226-F228 VanDerWaalsContact C-N 3.31Å; T226-F228 PolarHBondContact O-N 3.32Å; T226-R229 PolarHBondContact O-N 3.46Å; T226-R229 VanDerWaalsContact O-N 3.16Å; T226-E230 HydrophobicContact CG2-CG 4.35Å; T226-E230 WeakPolarHBondContact CG2-OE1 3.25Å; T226-E230 WeakPolarHBondContact O-CG 3.47Å; T226-E230 PolarHBondContact O-N 2.91Å |
| 227 | L | 96.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 61.5 Ų | 61.5 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 177.4 | 178.9 | 61.7 | 0 | 0 | 0 | 112.1 | Q223 I224 N231 L241 I244 I245 | Q223-L227 PolarHBondContact O-N 3.21Å; Q223-L227 VanDerWaalsContact O-N 3.12Å; I224-L227 PolarHBondContact O-N 3.21Å; L227-N231 WeakPolarHBondContact O-CB 3.38Å; L227-N231 PolarHBondContact O-N 2.99Å; L227-N231 VanDerWaalsContact O-N 3.17Å; L227-N231 PolarHBondContact O-ND2 3.26Å; L227-L241 HydrophobicContact CD2-CD2 3.49Å; L227-L241 VanDerWaalsContact CD2-CD2 3.49Å; L227-L241 HydrophobicContact CG-CD2 4.45Å; L227-I244 HydrophobicContact CD1-CD1 4.39Å; L227-I244 HydrophobicContact CD1-CG2 3.82Å; L227-I244 HydrophobicContact CD2-CB 4.14Å; L227-I244 HydrophobicContact CD2-CD1 4.16Å; L227-I244 HydrophobicContact CD2-CG2 3.75Å; L227-I244 HydrophobicContact CG-CG2 4.44Å; L227-I245 HydrophobicContact CD2-CD1 3.9Å; L227-I245 HydrophobicContact CD2-CG1 3.85Å |
| 228 | F | 96 | Very high | 95.5 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 176.2 | -84.5 | -61.5 | 0 | 0 | 0 | 113.1 | I224 T226 N231 F232 F236 L241 L265 I274 W284 A286 | I224-F228 HydrophobicContact CG2-CD2 3.76Å; I224-F228 HydrophobicContact CG2-CE2 3.66Å; I224-F228 VanDerWaalsContact O-CD2 3.29Å; I224-F228 WeakPolarHBondContact O-CD2 3.49Å; I224-F228 PolarHBondContact O-N 3.45Å; I224-F228 VanDerWaalsContact O-N 3.08Å; T226-F228 VanDerWaalsContact C-N 3.31Å; T226-F228 PolarHBondContact O-N 3.32Å; F228-N231 CarbonylContact O-C 3.54Å; F228-N231 VanDerWaalsContact O-C 3.26Å; F228-N231 PolarHBondContact O-N 3.28Å; F228-F232 WeakPolarHBondContact O-CA 3.39Å; F228-F232 PolarHBondContact O-N 3.04Å; F228-F236 HydrophobicContact CD1-CD2 4.33Å; F228-F236 AromaticContact CE1-CD2 3.88Å; F228-F236 HydrophobicContact CE1-CD2 3.88Å; F228-F236 HydrophobicContact CE1-CE2 4.48Å; F228-L241 HydrophobicContact CE2-CD1 4.45Å; F228-L241 HydrophobicContact CZ-CD1 4.06Å; F228-L241 HydrophobicContact CZ-CD2 4.26Å; F228-L265 HydrophobicContact CE2-CD2 3.77Å; F228-L265 HydrophobicContact CZ-CD2 4.1Å; F228-I274 HydrophobicContact CD2-CG2 3.96Å; F228-I274 HydrophobicContact CE2-CD1 4.29Å; F228-I274 HydrophobicContact CE2-CG2 4.07Å; F228-I274 HydrophobicContact CG-CG2 4.32Å; F228-W284 HydrophobicContact CE1-CB 4.3Å; F228-W284 WeakPolarHBondContact CE1-O 3.48Å; F228-W284 HydrophobicContact CZ-CB 3.76Å; F228-A286 HydrophobicContact CB-CB 4.16Å; F228-A286 HydrophobicContact CD1-CB 4.43Å |
| 229 | R | 94.1 | Very high | 95.4 | Very high | 154 Ų | 154 | 61.6 Ų | 61.6 | 58% | 0.581 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 176.5 | -81.2 | 178.6 | -95.2 | 168.8 | -8.9 | 112.1 | Q222 L225 T226 N231 | Q222-R229 VanDerWaalsContact OE1-NH2 3.1Å; L225-R229 WeakPolarHBondContact O-CB 3.45Å; L225-R229 WeakPolarHBondContact O-CG 3.36Å; L225-R229 PolarHBondContact O-N 3.29Å; L225-R229 PolarHBondContact O-NE 2.74Å; T226-R229 PolarHBondContact O-N 3.46Å; T226-R229 VanDerWaalsContact O-N 3.16Å; R229-N231 PolarHBondContact O-N 3.38Å |
| 230 | E | 95.1 | Very high | 95.3 | Very high | 143 Ų | 143 | 60.7 Ų | 60.7 | 67% | 0.668 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -72.6 | -15.4 | 178.8 | -68.8 | 175.6 | 176 | 0 | 0 | 113.2 | T226 | T226-E230 HydrophobicContact CG2-CG 4.35Å; T226-E230 WeakPolarHBondContact CG2-OE1 3.25Å; T226-E230 WeakPolarHBondContact O-CG 3.47Å; T226-E230 PolarHBondContact O-N 2.91Å |
| 231 | N | 95.3 | Very high | 95.3 | Very high | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 40.2 | -177.5 | -64.8 | -93.3 | 0 | 0 | 0 | 111.7 | L227 F228 R229 E233 K234 F236 | L227-N231 WeakPolarHBondContact O-CB 3.38Å; L227-N231 PolarHBondContact O-N 2.99Å; L227-N231 VanDerWaalsContact O-N 3.17Å; L227-N231 PolarHBondContact O-ND2 3.26Å; F228-N231 CarbonylContact O-C 3.54Å; F228-N231 VanDerWaalsContact O-C 3.26Å; F228-N231 PolarHBondContact O-N 3.28Å; R229-N231 PolarHBondContact O-N 3.38Å; N231-E233 PolarHBondContact O-N 3.31Å; N231-K234 HydrophobicContact CB-CB 4.24Å; N231-K234 HydrophobicContact CB-CD 4.09Å; N231-K234 HydrophobicContact CB-CG 4.31Å; N231-K234 PolarHBondContact O-N 3.17Å; N231-K234 PolarHBondContact OD1-NZ 2.87Å; N231-F236 HydrophobicContact CB-CE2 3.78Å; N231-F236 HydrophobicContact CB-CZ 3.59Å |
| 232 | F | 91.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -36.3 | -171.3 | 170.8 | -98.1 | 0 | 0 | 0 | 114.5 | F228 K285 A286 L288 | F228-F232 WeakPolarHBondContact O-CA 3.39Å; F228-F232 PolarHBondContact O-N 3.04Å; F232-K285 WeakPolarHBondContact O-CE 3.44Å; F232-A286 HydrophobicContact CD2-CB 3.81Å; F232-A286 HydrophobicContact CE2-CB 4.12Å; F232-L288 HydrophobicContact CD1-CD2 4.44Å; F232-L288 HydrophobicContact CD2-CD2 3.77Å; F232-L288 HydrophobicContact CD2-CG 4.33Å; F232-L288 HydrophobicContact CE1-CD1 4.03Å; F232-L288 HydrophobicContact CE1-CD2 3.89Å; F232-L288 HydrophobicContact CE1-CG 4.09Å; F232-L288 HydrophobicContact CE2-CB 4.43Å; F232-L288 HydrophobicContact CE2-CD1 4.07Å; F232-L288 HydrophobicContact CE2-CD2 3.16Å; F232-L288 HydrophobicContact CE2-CG 3.26Å; F232-L288 HydrophobicContact CG-CD2 4.42Å; F232-L288 HydrophobicContact CZ-CD1 3.39Å; F232-L288 HydrophobicContact CZ-CD2 3.26Å; F232-L288 HydrophobicContact CZ-CG 3.13Å |
| 233 | E | 91.8 | Very high | 95.2 | Very high | 164 Ų | 164 | 60.1 Ų | 60.1 | 77% | 0.766 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21.6 | -178.8 | -63 | -174.5 | 160.6 | 0 | 0 | 113.8 | N231 K285 | N231-E233 PolarHBondContact O-N 3.31Å; E233-K285 PolarHBondContact O-NZ 3.2Å |
| 234 | K | 93.7 | Very high | 95.2 | Very high | 118 Ų | 118 | 60.1 Ų | 60.1 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | trans | -84.7 | 155.4 | -174 | -58.2 | -174.7 | -171.2 | 159.1 | 0 | 111.6 | N231 F236 | N231-K234 HydrophobicContact CB-CB 4.24Å; N231-K234 HydrophobicContact CB-CD 4.09Å; N231-K234 HydrophobicContact CB-CG 4.31Å; N231-K234 PolarHBondContact O-N 3.17Å; N231-K234 PolarHBondContact OD1-NZ 2.87Å; K234-F236 HydrophobicContact CB-CE2 3.95Å; K234-F236 HydrophobicContact CB-CZ 3.96Å; K234-F236 HydrophobicContact CD-CZ 4.14Å | ||
| 235 | S | 94.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | trans | -119.5 | 144.3 | 166.1 | 64.5 | 0 | 0 | 0 | 0 | 109.3 | K283 W284 | S235-K283 WeakPolarHBondContact OG-CD 3.25Å; S235-W284 CarbonylContact C-O 3.56Å; S235-W284 VanDerWaalsContact CA-O 3.27Å; S235-W284 WeakPolarHBondContact CA-O 3.4Å | ||
| 236 | F | 95.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -125.3 | 137.9 | -174.9 | -58.8 | -88.8 | 0 | 0 | 0 | 110.8 | F228 N231 K234 E240 L241 I244 K283 W284 | F228-F236 HydrophobicContact CD1-CD2 4.33Å; F228-F236 AromaticContact CE1-CD2 3.88Å; F228-F236 HydrophobicContact CE1-CD2 3.88Å; F228-F236 HydrophobicContact CE1-CE2 4.48Å; N231-F236 HydrophobicContact CB-CE2 3.78Å; N231-F236 HydrophobicContact CB-CZ 3.59Å; K234-F236 HydrophobicContact CB-CE2 3.95Å; K234-F236 HydrophobicContact CB-CZ 3.96Å; K234-F236 HydrophobicContact CD-CZ 4.14Å; F236-E240 HydrophobicContact CB-CB 4.44Å; F236-E240 HydrophobicContact CD1-CB 4.29Å; F236-L241 HydrophobicContact CB-CD1 4.15Å; F236-L241 HydrophobicContact CB-CD2 3.58Å; F236-L241 HydrophobicContact CB-CG 3.57Å; F236-L241 HydrophobicContact CD1-CD2 4.28Å; F236-L241 HydrophobicContact CD2-CD2 3.92Å; F236-L241 HydrophobicContact CG-CD2 3.68Å; F236-L241 HydrophobicContact CG-CG 4.23Å; F236-I244 HydrophobicContact CD1-CD1 4.28Å; F236-I244 HydrophobicContact CE1-CD1 4.01Å; F236-K283 CarbonylContact O-C 3.23Å; F236-K283 WeakPolarHBondContact O-CA 3.3Å; F236-W284 PolarHBondContact N-O 2.94Å; F236-W284 PolarHBondContact O-N 3.44Å |
| 237 | T | 95.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | trans | -67.9 | 158.4 | 160.4 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | M239 E240 L241 D281 K283 | T237-M239 PolarHBondContact O-N 3.01Å; T237-E240 WeakPolarHBondContact CB-OE2 3.49Å; T237-E240 PolarHBondContact N-OE2 3.45Å; T237-E240 PolarHBondContact O-N 3.32Å; T237-E240 VanDerWaalsContact OG1-CD 3.3Å; T237-E240 VanDerWaalsContact OG1-CG 3.25Å; T237-E240 WeakPolarHBondContact OG1-CG 3.33Å; T237-E240 PolarHBondContact OG1-N 2.98Å; T237-E240 PolarHBondContact OG1-OE2 3.18Å; T237-L241 WeakPolarHBondContact O-CG 3.43Å; T237-L241 PolarHBondContact O-N 3.31Å; T237-D281 HydrophobicContact CG2-CB 4.23Å; T237-K283 HydrophobicContact CG2-CG 4.02Å | ||
| 238 | V | 95.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 73 Ų | 73 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -37.5 | 176 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | L241 V242 K258 L261 L262 L265 | V238-L241 PolarHBondContact O-N 2.83Å; V238-V242 WeakPolarHBondContact O-CG2 3.36Å; V238-V242 PolarHBondContact O-N 3.04Å; V238-K258 HydrophobicContact CG1-CG 4.04Å; V238-K258 HydrophobicContact CG2-CG 3.84Å; V238-L261 HydrophobicContact CG2-CB 4.44Å; V238-L261 HydrophobicContact CG2-CD2 4.05Å; V238-L261 HydrophobicContact CG2-CG 4.32Å; V238-L262 HydrophobicContact CB-CD2 4.16Å; V238-L262 HydrophobicContact CG2-CD2 3.85Å; V238-L262 HydrophobicContact CG2-CG 3.88Å; V238-L265 HydrophobicContact CG2-CD1 4.36Å |
| 239 | M | 95 | Very high | 94.6 | Very high | 57 Ų | 57 | 74.7 Ų | 74.7 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.9 | -33 | -177.9 | -69.7 | -52.5 | -61.6 | 0 | 0 | 113 | T237 L241 V242 K243 K258 | T237-M239 PolarHBondContact O-N 3.01Å; M239-L241 VanDerWaalsContact C-N 3.34Å; M239-V242 PolarHBondContact O-N 2.95Å; M239-V242 HydrophobicContact SD-CG2 4.45Å; M239-K243 WeakPolarHBondContact O-CG 3.33Å; M239-K243 PolarHBondContact O-N 3.23Å; M239-K258 HydrophobicContact SD-CB 4.26Å; M239-K258 HydrophobicContact SD-CD 3.71Å; M239-K258 HydrophobicContact SD-CG 4Å |
| 240 | E | 95.9 | Very high | 94.6 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 169.8 | -73.9 | 164.1 | 143.5 | 0 | 0 | 110.5 | F236 T237 V242 K243 I244 | F236-E240 HydrophobicContact CB-CB 4.44Å; F236-E240 HydrophobicContact CD1-CB 4.29Å; T237-E240 WeakPolarHBondContact CB-OE2 3.49Å; T237-E240 PolarHBondContact N-OE2 3.45Å; T237-E240 PolarHBondContact O-N 3.32Å; T237-E240 VanDerWaalsContact OG1-CD 3.3Å; T237-E240 VanDerWaalsContact OG1-CG 3.25Å; T237-E240 WeakPolarHBondContact OG1-CG 3.33Å; T237-E240 PolarHBondContact OG1-N 2.98Å; T237-E240 PolarHBondContact OG1-OE2 3.18Å; E240-V242 PolarHBondContact O-N 3.49Å; E240-K243 PolarHBondContact O-N 2.81Å; E240-I244 WeakPolarHBondContact O-CD1 3.49Å; E240-I244 VanDerWaalsContact O-CG1 3.3Å; E240-I244 WeakPolarHBondContact O-CG1 3.46Å; E240-I244 PolarHBondContact O-N 3.24Å; E240-I244 VanDerWaalsContact O-N 3.17Å |
| 241 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 176.2 | -62.3 | 170.4 | 0 | 0 | 0 | 111.7 | L227 F228 F236 T237 V238 M239 K243 I244 I245 L261 L265 | L227-L241 HydrophobicContact CD2-CD2 3.49Å; L227-L241 VanDerWaalsContact CD2-CD2 3.49Å; L227-L241 HydrophobicContact CG-CD2 4.45Å; F228-L241 HydrophobicContact CE2-CD1 4.45Å; F228-L241 HydrophobicContact CZ-CD1 4.06Å; F228-L241 HydrophobicContact CZ-CD2 4.26Å; F236-L241 HydrophobicContact CB-CD1 4.15Å; F236-L241 HydrophobicContact CB-CD2 3.58Å; F236-L241 HydrophobicContact CB-CG 3.57Å; F236-L241 HydrophobicContact CD1-CD2 4.28Å; F236-L241 HydrophobicContact CD2-CD2 3.92Å; F236-L241 HydrophobicContact CG-CD2 3.68Å; F236-L241 HydrophobicContact CG-CG 4.23Å; T237-L241 WeakPolarHBondContact O-CG 3.43Å; T237-L241 PolarHBondContact O-N 3.31Å; V238-L241 PolarHBondContact O-N 2.83Å; M239-L241 VanDerWaalsContact C-N 3.34Å; L241-K243 PolarHBondContact O-N 3Å; L241-I244 PolarHBondContact O-N 3.38Å; L241-I245 HydrophobicContact CB-CD1 4.49Å; L241-I245 VanDerWaalsContact O-CB 3.25Å; L241-I245 WeakPolarHBondContact O-CB 3.48Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 3.33Å; L241-L261 HydrophobicContact CB-CD2 3.45Å; L241-L261 VanDerWaalsContact CB-CD2 3.45Å; L241-L261 HydrophobicContact CB-CG 4.46Å; L241-L265 HydrophobicContact CD1-CD1 3.79Å; L241-L265 HydrophobicContact CD1-CD2 3.91Å; L241-L265 HydrophobicContact CD1-CG 4.45Å |
| 242 | V | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.6 | -49.7 | 175 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | V238 M239 E240 I244 I245 Y246 H254 A257 K258 L261 | V238-V242 WeakPolarHBondContact O-CG2 3.36Å; V238-V242 PolarHBondContact O-N 3.04Å; M239-V242 PolarHBondContact O-N 2.95Å; M239-V242 HydrophobicContact SD-CG2 4.45Å; E240-V242 PolarHBondContact O-N 3.49Å; V242-I244 PolarHBondContact O-N 3.01Å; V242-I245 PolarHBondContact O-N 3.49Å; V242-Y246 HydrophobicContact CG1-CD2 4.47Å; V242-Y246 WeakPolarHBondContact O-CA 3.43Å; V242-Y246 VanDerWaalsContact O-CB 3.3Å; V242-Y246 WeakPolarHBondContact O-CB 3.43Å; V242-Y246 PolarHBondContact O-N 3.21Å; V242-H254 HydrophobicContact CG1-CB 4.23Å; V242-A257 HydrophobicContact CG1-CB 4.21Å; V242-K258 HydrophobicContact CG2-CB 3.87Å; V242-L261 HydrophobicContact CB-CD2 4.45Å; V242-L261 HydrophobicContact CG2-CD2 3.63Å |
| 243 | K | 95.5 | Very high | 94.5 | Very high | 143 Ų | 143 | 77 Ų | 77 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.5 | -31.1 | -179.2 | -71.7 | 176.6 | 179.4 | -178.5 | 0 | 113.1 | M239 E240 L241 | M239-K243 WeakPolarHBondContact O-CG 3.33Å; M239-K243 PolarHBondContact O-N 3.23Å; E240-K243 PolarHBondContact O-N 2.81Å; L241-K243 PolarHBondContact O-N 3Å |
| 244 | I | 96.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 70.7 Ų | 70.7 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -81 | -50.6 | 178.5 | -62.6 | 164.3 | 0 | 0 | 0 | 110.9 | L227 F236 E240 L241 V242 | L227-I244 HydrophobicContact CD1-CD1 4.39Å; L227-I244 HydrophobicContact CD1-CG2 3.82Å; L227-I244 HydrophobicContact CD2-CB 4.14Å; L227-I244 HydrophobicContact CD2-CD1 4.16Å; L227-I244 HydrophobicContact CD2-CG2 3.75Å; L227-I244 HydrophobicContact CG-CG2 4.44Å; F236-I244 HydrophobicContact CD1-CD1 4.28Å; F236-I244 HydrophobicContact CE1-CD1 4.01Å; E240-I244 WeakPolarHBondContact O-CD1 3.49Å; E240-I244 VanDerWaalsContact O-CG1 3.3Å; E240-I244 WeakPolarHBondContact O-CG1 3.46Å; E240-I244 PolarHBondContact O-N 3.24Å; E240-I244 VanDerWaalsContact O-N 3.17Å; L241-I244 PolarHBondContact O-N 3.38Å; V242-I244 PolarHBondContact O-N 3.01Å |
| 245 | I | 95.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 70.7 Ų | 70.7 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -83.1 | -28.2 | -169 | -65.3 | -177.7 | 0 | 0 | 0 | 112.5 | R220 I224 L227 L241 V242 L261 | R220-I245 PolarHBondContact NH1-O 2.94Å; I224-I245 HydrophobicContact CB-CD1 4.18Å; I224-I245 HydrophobicContact CG1-CD1 3.5Å; L227-I245 HydrophobicContact CD2-CD1 3.9Å; L227-I245 HydrophobicContact CD2-CG1 3.85Å; L241-I245 HydrophobicContact CB-CD1 4.49Å; L241-I245 VanDerWaalsContact O-CB 3.25Å; L241-I245 WeakPolarHBondContact O-CB 3.48Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 3.33Å; V242-I245 PolarHBondContact O-N 3.49Å; I245-L261 HydrophobicContact CD1-CD1 4.1Å |
| 246 | Y | 94.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 75 Ų | 75 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 33.3 | 178.6 | -63.7 | -98.5 | 0 | 0 | 0 | 111.5 | R220 V242 N248 T249 A257 N260 L261 | R220-Y246 VanDerWaalsContact CZ-CE1 3.5Å; V242-Y246 HydrophobicContact CG1-CD2 4.47Å; V242-Y246 WeakPolarHBondContact O-CA 3.43Å; V242-Y246 VanDerWaalsContact O-CB 3.3Å; V242-Y246 WeakPolarHBondContact O-CB 3.43Å; V242-Y246 PolarHBondContact O-N 3.21Å; Y246-N248 PolarHBondContact O-N 2.74Å; Y246-T249 VanDerWaalsContact O-CB 3.29Å; Y246-T249 WeakPolarHBondContact O-CB 3.43Å; Y246-T249 PolarHBondContact O-N 3.41Å; Y246-A257 HydrophobicContact CD1-CB 3.52Å; Y246-A257 HydrophobicContact CD2-CB 3.86Å; Y246-A257 HydrophobicContact CE1-CB 3.64Å; Y246-A257 HydrophobicContact CE2-CB 3.98Å; Y246-A257 HydrophobicContact CG-CB 3.62Å; Y246-N260 PolarHBondContact OH-ND2 2.91Å; Y246-L261 HydrophobicContact CE2-CB 4.3Å |
| 247 | K | 92 | Very high | 94.6 | Very high | 169 Ų | 169 | 74.5 Ų | 74.5 | 74% | 0.735 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -35.9 | -176.8 | -177.8 | 179.4 | 177 | -178.4 | 0 | 114.5 | ||
| 248 | N | 93.1 | Very high | 94.6 | Very high | 154 Ų | 154 | 75.9 Ų | 75.9 | 82% | 0.824 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 7.1 | -178.4 | -60.2 | -23.6 | 0 | 0 | 0 | 113.3 | Y246 | Y246-N248 PolarHBondContact O-N 2.74Š|
| 249 | T | 92.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 80.3 Ų | 80.3 | 25% | 0.245 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -89 | 129 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | Y246 L253 H254 | Y246-T249 VanDerWaalsContact O-CB 3.29Å; Y246-T249 WeakPolarHBondContact O-CB 3.43Å; Y246-T249 PolarHBondContact O-N 3.41Å; T249-L253 HydrophobicContact CG2-CB 3.69Å; T249-L253 HydrophobicContact CG2-CD1 4.3Å; T249-H254 PolarHBondContact O-NE2 3.26Å |
| 250 | P | 94.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 79 Ų | 79 | 47% | 0.468 | 39% | 0.389 | S | S | . | . | trans | -51 | 142.3 | 175.1 | -29.9 | 36.2 | 0 | 0 | 0 | 113.4 | N252 L253 H254 | P250-N252 WeakPolarHBondContact CB-OD1 3.41Å; P250-N252 PolarHBondContact O-N 2.97Å; P250-L253 HydrophobicContact CG-CD1 4.48Å; P250-L253 WeakPolarHBondContact O-CB 3.29Å; P250-L253 PolarHBondContact O-N 3.27Å; P250-H254 PolarHBondContact O-CD2 2.9Å; P250-H254 VanDerWaalsContact O-CD2 3.23Å | ||
| 251 | E | 92.5 | Very high | 94.7 | Very high | 165 Ų | 165 | 75 Ų | 75 | 77% | 0.771 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -58.1 | -34.8 | -175.6 | -69 | -171.4 | 169.6 | 0 | 0 | 113.4 | L253 H254 | E251-L253 PolarHBondContact O-N 2.91Å; E251-L253 VanDerWaalsContact O-N 3.08Å; E251-H254 WeakPolarHBondContact O-CB 3.29Å; E251-H254 PolarHBondContact O-N 3.25Å |
| 252 | N | 94.4 | Very high | 94.7 | Very high | 138 Ų | 138 | 77.5 Ų | 77.5 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -64.9 | -11.9 | 176.8 | 69.4 | -54.5 | 0 | 0 | 0 | 113.7 | P250 | P250-N252 WeakPolarHBondContact CB-OD1 3.41Å; P250-N252 PolarHBondContact O-N 2.97Å |
| 253 | L | 94.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 78 Ų | 78 | 38% | 0.382 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -103.4 | 2.1 | 175.2 | -60.1 | 179.9 | 0 | 0 | 0 | 113 | T249 P250 E251 E255 M256 A257 | T249-L253 HydrophobicContact CG2-CB 3.69Å; T249-L253 HydrophobicContact CG2-CD1 4.3Å; P250-L253 HydrophobicContact CG-CD1 4.48Å; P250-L253 WeakPolarHBondContact O-CB 3.29Å; P250-L253 PolarHBondContact O-N 3.27Å; E251-L253 PolarHBondContact O-N 2.91Å; E251-L253 VanDerWaalsContact O-N 3.08Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E255 PolarHBondContact O-N 3.39Å; L253-M256 PolarHBondContact O-N 2.92Å; L253-A257 PolarHBondContact O-N 3.38Å |
| 254 | H | 95.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 71.2 Ų | 71.2 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -33 | -175.9 | -77.1 | -166.5 | 0 | 0 | 0 | 113.3 | V242 T249 P250 E251 A257 K258 | V242-H254 HydrophobicContact CG1-CB 4.23Å; T249-H254 PolarHBondContact O-NE2 3.26Å; P250-H254 PolarHBondContact O-CD2 2.9Å; P250-H254 VanDerWaalsContact O-CD2 3.23Å; E251-H254 WeakPolarHBondContact O-CB 3.29Å; E251-H254 PolarHBondContact O-N 3.25Å; H254-A257 WeakPolarHBondContact O-CB 3.31Å; H254-A257 PolarHBondContact O-N 2.94Å; H254-K258 VanDerWaalsContact O-CB 3.26Å; H254-K258 WeakPolarHBondContact O-CB 3.43Å; H254-K258 PolarHBondContact O-N 3.16Å |
| 255 | E | 94.4 | Very high | 94.9 | Very high | 118 Ų | 118 | 67.2 Ų | 67.2 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.9 | -36.3 | 175.9 | -72.2 | -56.8 | 127.7 | 0 | 0 | 112.3 | L253 K258 H259 | L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E255 PolarHBondContact O-N 3.39Å; E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.35Å; E255-K258 IonicContact OE1-NZ 2.91Å; E255-K258 VanDerWaalsContact OE2-CD 3.31Å; E255-K258 WeakPolarHBondContact OE2-CD 3.36Å; E255-K258 IonicContact OE2-NZ 3.14Å; E255-K258 PolarHBondContact OE2-NZ 3.12Å; E255-H259 PolarHBondContact O-N 3.46Å |
| 256 | M | 92.8 | Very high | 95 | Very high | 139 Ų | 139 | 71 Ų | 71 | 69% | 0.685 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 173.1 | -172.5 | -176.2 | -68.4 | 0 | 0 | 111.1 | L253 K258 H259 N260 | L253-M256 PolarHBondContact O-N 2.92Å; M256-K258 VanDerWaalsContact C-N 3.35Å; M256-K258 PolarHBondContact O-N 3.29Å; M256-H259 PolarHBondContact O-N 2.96Å; M256-N260 PolarHBondContact O-N 3.45Å |
| 257 | A | 95 | Very high | 95.1 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V242 Y246 L253 H254 N260 L261 | V242-A257 HydrophobicContact CG1-CB 4.21Å; Y246-A257 HydrophobicContact CD1-CB 3.52Å; Y246-A257 HydrophobicContact CD2-CB 3.86Å; Y246-A257 HydrophobicContact CE1-CB 3.64Å; Y246-A257 HydrophobicContact CE2-CB 3.98Å; Y246-A257 HydrophobicContact CG-CB 3.62Å; L253-A257 PolarHBondContact O-N 3.38Å; H254-A257 WeakPolarHBondContact O-CB 3.31Å; H254-A257 PolarHBondContact O-N 2.94Å; A257-N260 PolarHBondContact O-N 3.28Å; A257-L261 VanDerWaalsContact O-CB 3.24Å; A257-L261 WeakPolarHBondContact O-CB 3.26Å; A257-L261 PolarHBondContact O-N 3.35Å |
| 258 | K | 96 | Very high | 95.4 | Very high | 57 Ų | 57 | 62.4 Ų | 62.4 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 174.4 | 177.8 | -165.2 | -180 | -179.6 | 0 | 111.5 | V238 M239 V242 H254 E255 M256 L261 L262 | V238-K258 HydrophobicContact CG1-CG 4.04Å; V238-K258 HydrophobicContact CG2-CG 3.84Å; M239-K258 HydrophobicContact SD-CB 4.26Å; M239-K258 HydrophobicContact SD-CD 3.71Å; M239-K258 HydrophobicContact SD-CG 4Å; V242-K258 HydrophobicContact CG2-CB 3.87Å; H254-K258 VanDerWaalsContact O-CB 3.26Å; H254-K258 WeakPolarHBondContact O-CB 3.43Å; H254-K258 PolarHBondContact O-N 3.16Å; E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.35Å; E255-K258 IonicContact OE1-NZ 2.91Å; E255-K258 VanDerWaalsContact OE2-CD 3.31Å; E255-K258 WeakPolarHBondContact OE2-CD 3.36Å; E255-K258 IonicContact OE2-NZ 3.14Å; E255-K258 PolarHBondContact OE2-NZ 3.12Å; M256-K258 VanDerWaalsContact C-N 3.35Å; M256-K258 PolarHBondContact O-N 3.29Å; K258-L261 PolarHBondContact O-N 2.89Å; K258-L262 HydrophobicContact CG-CD1 4.4Å; K258-L262 WeakPolarHBondContact O-CG 3.24Å; K258-L262 PolarHBondContact O-N 3.41Å |
| 259 | H | 95.5 | Very high | 95.5 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.2 | -50.9 | 176.6 | -179.6 | 79.3 | 0 | 0 | 0 | 111.5 | E255 M256 L261 L262 L263 | E255-H259 PolarHBondContact O-N 3.46Å; M256-H259 PolarHBondContact O-N 2.96Å; H259-L261 VanDerWaalsContact C-N 3.27Å; H259-L261 PolarHBondContact O-N 2.88Å; H259-L262 PolarHBondContact O-N 3.08Å; H259-L263 PolarHBondContact O-N 2.85Å; H259-L263 VanDerWaalsContact O-N 3.17Å |
| 260 | N | 95.2 | Very high | 95.7 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 176.8 | -174.9 | 62 | 0 | 0 | 0 | 111.8 | Y246 M256 A257 L263 H264 | Y246-N260 PolarHBondContact OH-ND2 2.91Å; M256-N260 PolarHBondContact O-N 3.45Å; A257-N260 PolarHBondContact O-N 3.28Å; N260-L263 WeakPolarHBondContact O-CB 3.38Å; N260-L263 PolarHBondContact O-N 3.17Å; N260-H264 PolarHBondContact O-CD2 2.87Å; N260-H264 VanDerWaalsContact O-CD2 3.28Å; N260-H264 PolarHBondContact O-N 3.31Å |
| 261 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.8 | -171.4 | 58.7 | 0 | 0 | 0 | 112.4 | I224 V238 L241 V242 I245 Y246 A257 K258 H259 L263 H264 L265 | I224-L261 HydrophobicContact CD1-CD1 3.46Å; I224-L261 VanDerWaalsContact CD1-CD1 3.46Å; I224-L261 HydrophobicContact CG1-CD1 3.69Å; V238-L261 HydrophobicContact CG2-CB 4.44Å; V238-L261 HydrophobicContact CG2-CD2 4.05Å; V238-L261 HydrophobicContact CG2-CG 4.32Å; L241-L261 HydrophobicContact CB-CD2 3.45Å; L241-L261 VanDerWaalsContact CB-CD2 3.45Å; L241-L261 HydrophobicContact CB-CG 4.46Å; V242-L261 HydrophobicContact CB-CD2 4.45Å; V242-L261 HydrophobicContact CG2-CD2 3.63Å; I245-L261 HydrophobicContact CD1-CD1 4.1Å; Y246-L261 HydrophobicContact CE2-CB 4.3Å; A257-L261 VanDerWaalsContact O-CB 3.24Å; A257-L261 WeakPolarHBondContact O-CB 3.26Å; A257-L261 PolarHBondContact O-N 3.35Å; K258-L261 PolarHBondContact O-N 2.89Å; H259-L261 VanDerWaalsContact C-N 3.27Å; H259-L261 PolarHBondContact O-N 2.88Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 3.25Å; L261-H264 PolarHBondContact O-N 3.46Å; L261-L265 HydrophobicContact CG-CD1 4.11Å; L261-L265 HydrophobicContact CG-CG 4.43Å; L261-L265 VanDerWaalsContact O-CG 3.26Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 3.38Å |
| 262 | L | 96.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 174.6 | -74 | 169.5 | 0 | 0 | 0 | 112.2 | V238 K258 H259 L265 K266 W284 | V238-L262 HydrophobicContact CB-CD2 4.16Å; V238-L262 HydrophobicContact CG2-CD2 3.85Å; V238-L262 HydrophobicContact CG2-CG 3.88Å; K258-L262 HydrophobicContact CG-CD1 4.4Å; K258-L262 WeakPolarHBondContact O-CG 3.24Å; K258-L262 PolarHBondContact O-N 3.41Å; H259-L262 PolarHBondContact O-N 3.08Å; L262-L265 PolarHBondContact O-N 3.49Å; L262-K266 WeakPolarHBondContact O-CB 3.39Å; L262-K266 VanDerWaalsContact O-CG 3.31Å; L262-K266 WeakPolarHBondContact O-CG 3.19Å; L262-K266 PolarHBondContact O-N 3.28Å; L262-W284 HydrophobicContact CD2-CZ2 4.3Å |
| 263 | L | 97.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.9 | -64.9 | 168.9 | 0 | 0 | 0 | 111.4 | F174 E175 L177 H259 N260 L261 K267 | F174-L263 HydrophobicContact CD2-CD1 3.69Å; F174-L263 HydrophobicContact CE2-CB 4.04Å; F174-L263 HydrophobicContact CE2-CD1 3.42Å; F174-L263 VanDerWaalsContact CE2-CD1 3.42Å; F174-L263 HydrophobicContact CE2-CG 4.25Å; F174-L263 HydrophobicContact CZ-CD1 4.36Å; E175-L263 VanDerWaalsContact O-CD2 3.25Å; E175-L263 WeakPolarHBondContact O-CD2 3.35Å; L177-L263 HydrophobicContact CB-CB 4.17Å; H259-L263 PolarHBondContact O-N 2.85Å; H259-L263 VanDerWaalsContact O-N 3.17Å; N260-L263 WeakPolarHBondContact O-CB 3.38Å; N260-L263 PolarHBondContact O-N 3.17Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 3.25Å; L263-K267 PolarHBondContact O-N 3.27Å |
| 264 | H | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 173.2 | -78.7 | -80.5 | 0 | 0 | 0 | 112.7 | L177 R217 R220 I224 N260 L261 K267 L268 | L177-H264 HydrophobicContact CD2-CB 4.26Å; L177-H264 VanDerWaalsContact CD2-CE1 3.45Å; L177-H264 WeakPolarHBondContact CD2-CE1 3.48Å; L177-H264 WeakPolarHBondContact CD2-ND1 3.3Å; R217-H264 PolarHBondContact O-CE1 3.21Å; R217-H264 VanDerWaalsContact O-CE1 3.31Å; R220-H264 WeakPolarHBondContact CG-NE2 3.36Å; I224-H264 HydrophobicContact CD1-CB 3.3Å; N260-H264 PolarHBondContact O-CD2 2.87Å; N260-H264 VanDerWaalsContact O-CD2 3.28Å; N260-H264 PolarHBondContact O-N 3.31Å; L261-H264 PolarHBondContact O-N 3.46Å; H264-K267 PolarHBondContact O-N 3.28Å; H264-L268 WeakPolarHBondContact O-CB 3.37Å; H264-L268 VanDerWaalsContact O-CG 3.29Å; H264-L268 WeakPolarHBondContact O-CG 3.34Å; H264-L268 PolarHBondContact O-N 3.36Å |
| 265 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | -179.6 | -68 | 170.4 | 0 | 0 | 0 | 111.5 | I224 F228 V238 L241 L261 L262 K267 L268 E269 I274 W284 | I224-L265 HydrophobicContact CG2-CD2 4.14Å; F228-L265 HydrophobicContact CE2-CD2 3.77Å; F228-L265 HydrophobicContact CZ-CD2 4.1Å; V238-L265 HydrophobicContact CG2-CD1 4.36Å; L241-L265 HydrophobicContact CD1-CD1 3.79Å; L241-L265 HydrophobicContact CD1-CD2 3.91Å; L241-L265 HydrophobicContact CD1-CG 4.45Å; L261-L265 HydrophobicContact CG-CD1 4.11Å; L261-L265 HydrophobicContact CG-CG 4.43Å; L261-L265 VanDerWaalsContact O-CG 3.26Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 3.38Å; L262-L265 PolarHBondContact O-N 3.49Å; L265-K267 PolarHBondContact O-N 2.95Å; L265-L268 PolarHBondContact O-N 3.17Å; L265-E269 WeakPolarHBondContact O-CB 3.26Å; L265-E269 PolarHBondContact O-N 3.05Å; L265-I274 HydrophobicContact CB-CD1 4.06Å; L265-I274 HydrophobicContact CD2-CD1 3.45Å; L265-I274 VanDerWaalsContact CD2-CD1 3.45Å; L265-I274 HydrophobicContact CG-CD1 4.37Å; L265-I274 WeakPolarHBondContact O-CD1 3.31Å; L265-W284 HydrophobicContact CB-CD2 3.94Å; L265-W284 HydrophobicContact CB-CE3 3.83Å; L265-W284 HydrophobicContact CB-CH2 3.89Å; L265-W284 HydrophobicContact CB-CZ2 4.01Å; L265-W284 HydrophobicContact CB-CZ3 3.8Å; L265-W284 HydrophobicContact CD1-CD2 3.93Å; L265-W284 HydrophobicContact CD1-CG 3.97Å; L265-W284 HydrophobicContact CD1-CZ2 4.38Å; L265-W284 HydrophobicContact CD2-CB 4.39Å; L265-W284 HydrophobicContact CD2-CD2 4.26Å; L265-W284 HydrophobicContact CD2-CE3 4.43Å; L265-W284 HydrophobicContact CD2-CG 4.25Å; L265-W284 HydrophobicContact CG-CD2 4.26Å |
| 266 | K | 96.7 | Very high | 95.7 | Very high | 103 Ų | 103 | 47 Ų | 47 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.2 | -74.3 | 176.3 | 178.1 | -177.4 | 0 | 112.3 | L262 E269 K270 W284 | L262-K266 WeakPolarHBondContact O-CB 3.39Å; L262-K266 VanDerWaalsContact O-CG 3.31Å; L262-K266 WeakPolarHBondContact O-CG 3.19Å; L262-K266 PolarHBondContact O-N 3.28Å; K266-E269 PolarHBondContact O-N 3.06Å; K266-K270 WeakPolarHBondContact O-CG 3.32Å; K266-K270 PolarHBondContact O-N 2.91Å; K266-W284 HydrophobicContact CG-CH2 4.42Å |
| 267 | K | 97.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 174.4 | 169.9 | 174 | 179.5 | -63.4 | 0 | 111.3 | L177 Y178 M181 E221 L263 H264 L265 E269 K270 E271 | L177-K267 HydrophobicContact CB-CB 4.2Å; L177-K267 HydrophobicContact CB-CD 4.24Å; L177-K267 HydrophobicContact CD2-CB 4.4Å; L177-K267 HydrophobicContact CD2-CD 3.91Å; L177-K267 HydrophobicContact CG-CB 4.43Å; L177-K267 HydrophobicContact CG-CD 3.69Å; Y178-K267 HydrophobicContact CD2-CG 4.22Å; M181-K267 HydrophobicContact CG-CD 4.3Å; E221-K267 VanDerWaalsContact CD-NZ 3.31Å; E221-K267 IonicContact OE1-NZ 3.21Å; E221-K267 PolarHBondContact OE1-NZ 2.63Å; E221-K267 WeakPolarHBondContact OE2-CE 3.4Å; E221-K267 IonicContact OE2-NZ 3.11Å; E221-K267 PolarHBondContact OE2-NZ 3.21Å; L263-K267 PolarHBondContact O-N 3.27Å; H264-K267 PolarHBondContact O-N 3.28Å; L265-K267 PolarHBondContact O-N 2.95Å; K267-E269 VanDerWaalsContact C-N 3.27Å; K267-E269 PolarHBondContact O-N 3.24Å; K267-K270 WeakPolarHBondContact O-CB 3.4Å; K267-K270 PolarHBondContact O-N 2.94Å; K267-E271 VanDerWaalsContact CE-OE1 3.26Å; K267-E271 WeakPolarHBondContact CE-OE1 3.39Å; K267-E271 IonicContact NZ-OE1 3.22Å; K267-E271 PolarHBondContact NZ-OE1 3.17Å; K267-E271 IonicContact NZ-OE2 3.35Å; K267-E271 PolarHBondContact NZ-OE2 2.86Å; K267-E271 VanDerWaalsContact NZ-OE2 3.11Å; K267-E271 WeakPolarHBondContact O-CG 3.36Å; K267-E271 PolarHBondContact O-N 2.87Å |
| 268 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -34.1 | -179.7 | -70.7 | 176.8 | 0 | 0 | 0 | 112.4 | E221 I224 L225 H264 L265 E271 G272 K273 I274 | E221-L268 HydrophobicContact CG-CD2 3.88Å; E221-L268 HydrophobicContact CG-CG 4.48Å; I224-L268 HydrophobicContact CB-CD1 4.35Å; I224-L268 HydrophobicContact CG2-CD1 3.67Å; L225-L268 HydrophobicContact CD1-CD2 4.19Å; L225-L268 HydrophobicContact CD2-CD1 4Å; L225-L268 HydrophobicContact CD2-CD2 3.79Å; L225-L268 HydrophobicContact CG-CD1 4.25Å; L225-L268 HydrophobicContact CG-CD2 4.08Å; H264-L268 WeakPolarHBondContact O-CB 3.37Å; H264-L268 VanDerWaalsContact O-CG 3.29Å; H264-L268 WeakPolarHBondContact O-CG 3.34Å; H264-L268 PolarHBondContact O-N 3.36Å; L265-L268 PolarHBondContact O-N 3.17Å; L268-E271 CarbonylContact O-C 3.58Å; L268-E271 PolarHBondContact O-N 2.96Å; L268-G272 PolarHBondContact O-N 3.24Å; L268-K273 HydrophobicContact CB-CB 4.47Å; L268-K273 HydrophobicContact CD2-CB 4.33Å; L268-K273 HydrophobicContact CD2-CD 3.58Å; L268-K273 PolarHBondContact O-N 3.25Å; L268-I274 HydrophobicContact CB-CD1 3.76Å; L268-I274 HydrophobicContact CB-CG1 3.75Å; L268-I274 HydrophobicContact CB-CG2 4.39Å; L268-I274 HydrophobicContact CD1-CD1 4.39Å |
| 269 | E | 96.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 173.6 | 178.4 | 172.1 | -113.6 | 0 | 0 | 111.8 | L265 K266 K267 E271 G272 I274 S276 W284 | L265-E269 WeakPolarHBondContact O-CB 3.26Å; L265-E269 PolarHBondContact O-N 3.05Å; K266-E269 PolarHBondContact O-N 3.06Å; K267-E269 VanDerWaalsContact C-N 3.27Å; K267-E269 PolarHBondContact O-N 3.24Å; E269-E271 PolarHBondContact O-N 2.83Å; E269-G272 PolarHBondContact O-N 3.28Å; E269-I274 WeakPolarHBondContact CA-O 3.3Å; E269-I274 HydrophobicContact CB-CG1 4.14Å; E269-S276 WeakPolarHBondContact OE1-CB 3.41Å; E269-S276 PolarHBondContact OE1-N 2.56Å; E269-S276 PolarHBondContact OE1-OG 3.05Å; E269-W284 HydrophobicContact CB-CZ3 3.97Å; E269-W284 HydrophobicContact CG-CZ3 4.4Å |
| 270 | K | 96 | Very high | 92.9 | Very high | 109 Ų | 109 | 51.5 Ų | 51.5 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.2 | -34.5 | 171.3 | -76.4 | 179.6 | 170.6 | -174.1 | 0 | 112.4 | D176 Y178 D179 K266 K267 G272 | D176-K270 IonicContact OD1-NZ 3.57Å; D176-K270 PolarHBondContact OD1-NZ 3.06Å; D176-K270 IonicContact OD2-NZ 3.83Å; D176-K270 PolarHBondContact OD2-NZ 3.37Å; Y178-K270 HydrophobicContact CD1-CD 4.24Å; Y178-K270 HydrophobicContact CD2-CB 4.3Å; Y178-K270 HydrophobicContact CG-CB 4.42Å; Y178-K270 HydrophobicContact CG-CD 4.01Å; D179-K270 IonicContact OD2-NZ 3.94Å; K266-K270 WeakPolarHBondContact O-CG 3.32Å; K266-K270 PolarHBondContact O-N 2.91Å; K267-K270 WeakPolarHBondContact O-CB 3.4Å; K267-K270 PolarHBondContact O-N 2.94Å; K270-G272 VanDerWaalsContact C-N 3.27Å; K270-G272 PolarHBondContact O-N 3.25Å |
| 271 | E | 96.1 | Very high | 92.1 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.9 | 176.5 | -70.4 | 177.7 | 163.8 | 0 | 0 | 113.9 | Y178 K267 L268 E269 K273 | Y178-E271 HydrophobicContact CD2-CG 3.83Å; Y178-E271 HydrophobicContact CE2-CG 3.76Å; K267-E271 VanDerWaalsContact CE-OE1 3.26Å; K267-E271 WeakPolarHBondContact CE-OE1 3.39Å; K267-E271 IonicContact NZ-OE1 3.22Å; K267-E271 PolarHBondContact NZ-OE1 3.17Å; K267-E271 IonicContact NZ-OE2 3.35Å; K267-E271 PolarHBondContact NZ-OE2 2.86Å; K267-E271 VanDerWaalsContact NZ-OE2 3.11Å; K267-E271 WeakPolarHBondContact O-CG 3.36Å; K267-E271 PolarHBondContact O-N 2.87Å; L268-E271 CarbonylContact O-C 3.58Å; L268-E271 PolarHBondContact O-N 2.96Å; E269-E271 PolarHBondContact O-N 2.83Å; E271-K273 HydrophobicContact CB-CD 4.18Å; E271-K273 HydrophobicContact CB-CG 4.23Å; E271-K273 PolarHBondContact O-N 3.48Å; E271-K273 WeakPolarHBondContact OE2-CE 3.35Å; E271-K273 IonicContact OE2-NZ 3.31Å; E271-K273 PolarHBondContact OE2-NZ 3.04Å |
| 272 | G | 95.1 | Very high | 91.7 | Very high | 39 Ų | 39 | 60 Ų | 60 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 16.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L268 E269 K270 H287 | L268-G272 PolarHBondContact O-N 3.24Å; E269-G272 PolarHBondContact O-N 3.28Å; K270-G272 VanDerWaalsContact C-N 3.27Å; K270-G272 PolarHBondContact O-N 3.25Å; G272-H287 WeakPolarHBondContact O-CB 3.48Å; G272-H287 PolarHBondContact O-CD2 2.85Å; G272-H287 VanDerWaalsContact O-CD2 3.28Å |
| 273 | K | 94.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -86.7 | -25.2 | -178.8 | -67.8 | 171.6 | 177.8 | 163.3 | 0 | 113 | E221 L225 L268 E271 H287 | E221-K273 IonicContact OE1-NZ 2.63Å; L225-K273 HydrophobicContact CD2-CB 4.38Å; L225-K273 HydrophobicContact CD2-CD 4.24Å; L268-K273 HydrophobicContact CB-CB 4.47Å; L268-K273 HydrophobicContact CD2-CB 4.33Å; L268-K273 HydrophobicContact CD2-CD 3.58Å; L268-K273 PolarHBondContact O-N 3.25Å; E271-K273 HydrophobicContact CB-CD 4.18Å; E271-K273 HydrophobicContact CB-CG 4.23Å; E271-K273 PolarHBondContact O-N 3.48Å; E271-K273 WeakPolarHBondContact OE2-CE 3.35Å; E271-K273 IonicContact OE2-NZ 3.31Å; E271-K273 PolarHBondContact OE2-NZ 3.04Å; K273-H287 PolarHBondContact O-N 3.26Å |
| 274 | I | 94.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 161.4 | 175.9 | 70 | 176.2 | 0 | 0 | 0 | 109.1 | F228 L265 L268 E269 W284 K285 | F228-I274 HydrophobicContact CD2-CG2 3.96Å; F228-I274 HydrophobicContact CE2-CD1 4.29Å; F228-I274 HydrophobicContact CE2-CG2 4.07Å; F228-I274 HydrophobicContact CG-CG2 4.32Å; L265-I274 HydrophobicContact CB-CD1 4.06Å; L265-I274 HydrophobicContact CD2-CD1 3.45Å; L265-I274 VanDerWaalsContact CD2-CD1 3.45Å; L265-I274 HydrophobicContact CG-CD1 4.37Å; L265-I274 WeakPolarHBondContact O-CD1 3.31Å; L268-I274 HydrophobicContact CB-CD1 3.76Å; L268-I274 HydrophobicContact CB-CG1 3.75Å; L268-I274 HydrophobicContact CB-CG2 4.39Å; L268-I274 HydrophobicContact CD1-CD1 4.39Å; E269-I274 WeakPolarHBondContact CA-O 3.3Å; E269-I274 HydrophobicContact CB-CG1 4.14Å; I274-W284 HydrophobicContact CD1-CD2 4.42Å; I274-W284 HydrophobicContact CD1-CE3 3.59Å; I274-W284 HydrophobicContact CD1-CZ3 4.2Å; I274-W284 HydrophobicContact CG1-CE3 4.19Å; I274-K285 CarbonylContact C-O 3.58Å; I274-K285 WeakPolarHBondContact CA-O 3.25Å; I274-K285 VanDerWaalsContact CB-O 3.26Å; I274-K285 WeakPolarHBondContact CB-O 3.48Å |
| 275 | F | 93.6 | Very high | 91.2 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 153.1 | 168.9 | 66 | -85.6 | 0 | 0 | 0 | 110 | W284 K285 A286 H287 | F275-W284 WeakPolarHBondContact O-CA 3.21Å; F275-K285 HydrophobicContact CE1-CB 4.02Å; F275-K285 HydrophobicContact CE1-CD 4.35Å; F275-K285 HydrophobicContact CE1-CG 3.98Å; F275-K285 HydrophobicContact CE2-CB 4.28Å; F275-K285 HydrophobicContact CZ-CB 3.87Å; F275-K285 HydrophobicContact CZ-CD 3.88Å; F275-K285 HydrophobicContact CZ-CG 3.93Å; F275-K285 PolarHBondContact N-O 2.91Å; F275-K285 PolarHBondContact O-N 3.44Å; F275-A286 VanDerWaalsContact CE1-O 3.3Å; F275-A286 WeakPolarHBondContact CE1-O 3.44Å; F275-H287 HydrophobicContact CD1-CB 4.36Å; F275-H287 AromaticContact CD1-ND1 4Å |
| 276 | S | 91.6 | Very high | 90.8 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 147.5 | 169 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | E269 K282 K283 | E269-S276 WeakPolarHBondContact OE1-CB 3.41Å; E269-S276 PolarHBondContact OE1-N 2.56Å; E269-S276 PolarHBondContact OE1-OG 3.05Å; S276-K282 WeakPolarHBondContact OG-CE 2.8Å; S276-K282 PolarHBondContact OG-NZ 2.84Å; S276-K283 VanDerWaalsContact CA-O 3.26Å; S276-K283 WeakPolarHBondContact CA-O 3.46Å |
| 277 | N | 86.5 | Confident | 90.3 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | trans | -84.7 | 167.3 | 170 | 67.5 | 8.7 | 0 | 0 | 0 | 111.3 | D279 K283 | N277-D279 PolarHBondContact ND2-OD2 3.42Å; N277-D279 PolarHBondContact O-N 2.87Å; N277-D279 WeakPolarHBondContact OD1-CB 3.26Å; N277-D279 PolarHBondContact OD1-N 2.9Å; N277-K283 PolarHBondContact N-O 2.9Å; N277-K283 PolarHBondContact OD1-N 3.39Å; N277-K283 PolarHBondContact OD1-O 2.74Å | ||
| 278 | T | 78.8 | Confident | 88.7 | Confident | 148 Ų | 148 | 72.8 Ų | 72.8 | 91% | 0.908 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -86 | 14.7 | 178 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 279 | D | 77.9 | Confident | 88.3 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -66.8 | 155.1 | -179.4 | -70.4 | -12.5 | 0 | 0 | 0 | 111.1 | N277 D281 K282 | N277-D279 PolarHBondContact ND2-OD2 3.42Å; N277-D279 PolarHBondContact O-N 2.87Å; N277-D279 WeakPolarHBondContact OD1-CB 3.26Å; N277-D279 PolarHBondContact OD1-N 2.9Å; D279-D281 PolarHBondContact O-N 3Å; D279-K282 WeakPolarHBondContact O-CA 3.27Å; D279-K282 PolarHBondContact O-N 2.92Å |
| 280 | P | 76.3 | Confident | 87.9 | Confident | 135 Ų | 135 | 77.1 Ų | 77.1 | 88% | 0.877 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.3 | 178.2 | -25.6 | 33.8 | 0 | 0 | 0 | 113.6 | K282 | P280-K282 VanDerWaalsContact C-N 3.3Š|
| 281 | D | 79.5 | Confident | 87.5 | Confident | 123 Ų | 123 | 75.3 Ų | 75.3 | 66% | 0.658 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.7 | 179.4 | -66.2 | -34.5 | 0 | 0 | 0 | 113.6 | T237 D279 | T237-D281 HydrophobicContact CG2-CB 4.23Å; D279-D281 PolarHBondContact O-N 3Å |
| 282 | K | 87.1 | Confident | 86.9 | Confident | 85 Ų | 85 | 76.4 Ų | 76.4 | 37% | 0.37 | 41% | 0.411 | S | S | . | . | trans | 37 | 91.6 | -178.4 | -169.9 | 172.2 | -176.2 | 174.3 | 0 | 113.3 | S276 D279 P280 W284 | S276-K282 WeakPolarHBondContact OG-CE 2.8Å; S276-K282 PolarHBondContact OG-NZ 2.84Å; D279-K282 WeakPolarHBondContact O-CA 3.27Å; D279-K282 PolarHBondContact O-N 2.92Å; P280-K282 VanDerWaalsContact C-N 3.3Å; K282-W284 HydrophobicContact CD-CZ2 4.14Å; K282-W284 PolarHBondContact O-NE1 2.66Å | ||
| 283 | K | 93.2 | Very high | 86.4 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 30% | 0.3 | 41% | 0.412 | S | S | . | . | trans | -91 | 142.9 | 176.9 | -60.7 | -169.6 | 178.9 | -172.2 | 0 | 111.5 | S235 F236 T237 S276 N277 | S235-K283 WeakPolarHBondContact OG-CD 3.25Å; F236-K283 CarbonylContact O-C 3.23Å; F236-K283 WeakPolarHBondContact O-CA 3.3Å; T237-K283 HydrophobicContact CG2-CG 4.02Å; S276-K283 VanDerWaalsContact CA-O 3.26Å; S276-K283 WeakPolarHBondContact CA-O 3.46Å; N277-K283 PolarHBondContact N-O 2.9Å; N277-K283 PolarHBondContact OD1-N 3.39Å; N277-K283 PolarHBondContact OD1-O 2.74Å | ||
| 284 | W | 95 | Very high | 85.9 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 2% | 0.019 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.4 | -179.3 | -56.8 | 81.9 | 0 | 0 | 0 | 109.9 | F228 S235 F236 L262 L265 K266 E269 I274 F275 K282 | F228-W284 HydrophobicContact CE1-CB 4.3Å; F228-W284 WeakPolarHBondContact CE1-O 3.48Å; F228-W284 HydrophobicContact CZ-CB 3.76Å; S235-W284 CarbonylContact C-O 3.56Å; S235-W284 VanDerWaalsContact CA-O 3.27Å; S235-W284 WeakPolarHBondContact CA-O 3.4Å; F236-W284 PolarHBondContact N-O 2.94Å; F236-W284 PolarHBondContact O-N 3.44Å; L262-W284 HydrophobicContact CD2-CZ2 4.3Å; L265-W284 HydrophobicContact CB-CD2 3.94Å; L265-W284 HydrophobicContact CB-CE3 3.83Å; L265-W284 HydrophobicContact CB-CH2 3.89Å; L265-W284 HydrophobicContact CB-CZ2 4.01Å; L265-W284 HydrophobicContact CB-CZ3 3.8Å; L265-W284 HydrophobicContact CD1-CD2 3.93Å; L265-W284 HydrophobicContact CD1-CG 3.97Å; L265-W284 HydrophobicContact CD1-CZ2 4.38Å; L265-W284 HydrophobicContact CD2-CB 4.39Å; L265-W284 HydrophobicContact CD2-CD2 4.26Å; L265-W284 HydrophobicContact CD2-CE3 4.43Å; L265-W284 HydrophobicContact CD2-CG 4.25Å; L265-W284 HydrophobicContact CG-CD2 4.26Å; K266-W284 HydrophobicContact CG-CH2 4.42Å; E269-W284 HydrophobicContact CB-CZ3 3.97Å; E269-W284 HydrophobicContact CG-CZ3 4.4Å; I274-W284 HydrophobicContact CD1-CD2 4.42Å; I274-W284 HydrophobicContact CD1-CE3 3.59Å; I274-W284 HydrophobicContact CD1-CZ3 4.2Å; I274-W284 HydrophobicContact CG1-CE3 4.19Å; F275-W284 WeakPolarHBondContact O-CA 3.21Å; K282-W284 HydrophobicContact CD-CZ2 4.14Å; K282-W284 PolarHBondContact O-NE1 2.66Å |
| 285 | K | 93.3 | Very high | 85.2 | Confident | 56 Ų | 56 | 84 Ų | 84 | 24% | 0.243 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.3 | 179.8 | 179.3 | 164.1 | 174.1 | 164.7 | 0 | 111 | F232 E233 I274 F275 | F232-K285 WeakPolarHBondContact O-CE 3.44Å; E233-K285 PolarHBondContact O-NZ 3.2Å; I274-K285 CarbonylContact C-O 3.58Å; I274-K285 WeakPolarHBondContact CA-O 3.25Å; I274-K285 VanDerWaalsContact CB-O 3.26Å; I274-K285 WeakPolarHBondContact CB-O 3.48Å; F275-K285 HydrophobicContact CE1-CB 4.02Å; F275-K285 HydrophobicContact CE1-CD 4.35Å; F275-K285 HydrophobicContact CE1-CG 3.98Å; F275-K285 HydrophobicContact CE2-CB 4.28Å; F275-K285 HydrophobicContact CZ-CB 3.87Å; F275-K285 HydrophobicContact CZ-CD 3.88Å; F275-K285 HydrophobicContact CZ-CG 3.93Å; F275-K285 PolarHBondContact N-O 2.91Å; F275-K285 PolarHBondContact O-N 3.44Å |
| 286 | A | 89.9 | Confident | 84.6 | Confident | 11 Ų | 11 | 83.6 Ų | 83.6 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 140.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F228 F232 F275 | F228-A286 HydrophobicContact CB-CB 4.16Å; F228-A286 HydrophobicContact CD1-CB 4.43Å; F232-A286 HydrophobicContact CD2-CB 3.81Å; F232-A286 HydrophobicContact CE2-CB 4.12Å; F275-A286 VanDerWaalsContact CE1-O 3.3Å; F275-A286 WeakPolarHBondContact CE1-O 3.44Å |
| 287 | H | 85.3 | Confident | 84 | Confident | 113 Ų | 113 | 88.4 Ų | 88.4 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | trans | -93.7 | 132.6 | 166.4 | -161.8 | 67.2 | 0 | 0 | 0 | 108.6 | G272 K273 F275 | G272-H287 WeakPolarHBondContact O-CB 3.48Å; G272-H287 PolarHBondContact O-CD2 2.85Å; G272-H287 VanDerWaalsContact O-CD2 3.28Å; K273-H287 PolarHBondContact O-N 3.26Å; F275-H287 HydrophobicContact CD1-CB 4.36Å; F275-H287 AromaticContact CD1-ND1 4Å | ||
| 288 | L | 65.4 | Low | 83.8 | Confident | 188 Ų | 188 | 92.3 Ų | 92.3 | 98% | 0.984 | 49% | 0.492 | S | S | * | . | trans | -72.9 | 0 | 177.1 | -76.8 | 170.9 | 0 | 0 | 0 | 111.5 | F232 | F232-L288 HydrophobicContact CD1-CD2 4.44Å; F232-L288 HydrophobicContact CD2-CD2 3.77Å; F232-L288 HydrophobicContact CD2-CG 4.33Å; F232-L288 HydrophobicContact CE1-CD1 4.03Å; F232-L288 HydrophobicContact CE1-CD2 3.89Å; F232-L288 HydrophobicContact CE1-CG 4.09Å; F232-L288 HydrophobicContact CE2-CB 4.43Å; F232-L288 HydrophobicContact CE2-CD1 4.07Å; F232-L288 HydrophobicContact CE2-CD2 3.16Å; F232-L288 HydrophobicContact CE2-CG 3.26Å; F232-L288 HydrophobicContact CG-CD2 4.42Å; F232-L288 HydrophobicContact CZ-CD1 3.39Å; F232-L288 HydrophobicContact CZ-CD2 3.26Å; F232-L288 HydrophobicContact CZ-CG 3.13Å |
Retrieved 288 of 288 residues in 428.1 ms
(Link to these results)