| 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 | 81.4 | Confident | 91 | Very high | 94 Ų | 94 | 84.3 Ų | 84.3 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | 0 | 130.8 | 0 | 48.7 | -173.1 | -176.9 | 0 | 0 | 108.4 | E9 V10 R15 D22 | M1-E9 CarbonylContact O-C 3.59Å; M1-E9 WeakPolarHBondContact O-CA 3.48Å; M1-V10 VanDerWaalsContact CE-C 3.46Å; M1-V10 HydrophobicContact CE-CB 4.27Å; M1-V10 HydrophobicContact CE-CG1 4.16Å; M1-V10 WeakPolarHBondContact CE-O 3.05Å; M1-V10 HydrophobicContact CG-CB 3.92Å; M1-V10 WeakPolarHBondContact CG-O 3.3Å; M1-V10 PolarHBondContact O-N 3.16Å; M1-V10 HydrophobicContact SD-CB 4.32Å; M1-V10 HydrophobicContact SD-CG1 4.48Å; M1-R15 HydrophobicContact CE-CB 3.79Å; M1-R15 HydrophobicContact SD-CB 4.28Å; M1-D22 HydrophobicContact CB-CB 3.91Å; M1-D22 VanDerWaalsContact CB-OD2 3.26Å; M1-D22 WeakPolarHBondContact CB-OD2 2.99Å; M1-D22 HydrophobicContact CG-CB 4.29Å; M1-D22 HydrophobicContact SD-CB 4.01Å | |||
| 2 | R | 90.4 | Very high | 91.1 | Very high | 160 Ų | 160 | 91.2 Ų | 91.2 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.7 | -173.4 | -177.7 | 136.6 | 73.9 | -172.8 | 2 | 110.4 | P4 D7 | R2-P4 WeakPolarHBondContact O-CD 3.02Å; R2-D7 WeakPolarHBondContact CD-O 3.17Å; R2-D7 VanDerWaalsContact CD-OD2 3.25Å; R2-D7 WeakPolarHBondContact CD-OD2 3.44Å; R2-D7 IonicContact CZ-OD1 3.91Å; R2-D7 IonicContact CZ-OD2 3.95Å; R2-D7 IonicContact NE-OD1 3.75Å; R2-D7 IonicContact NE-OD2 3.74Å; R2-D7 PolarHBondContact NE-OD2 2.82Å; R2-D7 VanDerWaalsContact NE-OD2 3.12Å; R2-D7 IonicContact NH1-OD1 3.98Å |
| 3 | C | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 116.2 | 179 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | G5 C6 D7 R8 V10 D22 H24 C27 | C3-G5 PolarHBondContact O-N 2.65Å; C3-C6 PolarHBondContact O-N 2.87Å; C3-D7 WeakPolarHBondContact O-CA 3.38Å; C3-D7 PolarHBondContact O-N 2.94Å; C3-R8 WeakPolarHBondContact CB-O 3.46Å; C3-R8 PolarHBondContact N-O 3.16Å; C3-V10 HydrophobicContact CB-CG2 3.51Å; C3-D22 WeakPolarHBondContact CA-O 2.85Å; C3-H24 WeakPolarHBondContact CB-CE1 3.42Å; C3-H24 WeakPolarHBondContact CB-ND1 3.32Å; C3-H24 PolarHBondContact SG-ND1 2.95Å; C3-C27 WeakPolarHBondContact SG-CB 3.39Å |
| 4 | P | 90.1 | Very high | 91 | Very high | 42 Ų | 42 | 88.2 Ų | 88.2 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.9 | 178.5 | 25.2 | -34.1 | 0 | 0 | 0 | 112.7 | R2 C21 W23 G47 | R2-P4 WeakPolarHBondContact O-CD 3.02Å; P4-C21 HydrophobicContact CG-CB 4.39Å; P4-W23 HydrophobicContact CB-CH2 4.28Å; P4-W23 HydrophobicContact CB-CZ2 4.44Å; P4-W23 HydrophobicContact CG-CD2 4.02Å; P4-W23 HydrophobicContact CG-CE3 4.11Å; P4-W23 HydrophobicContact CG-CH2 3.49Å; P4-W23 VanDerWaalsContact CG-CH2 3.49Å; P4-W23 HydrophobicContact CG-CZ2 3.33Å; P4-W23 HydrophobicContact CG-CZ3 3.87Å; P4-G47 CarbonylContact C-O 3.45Å; P4-G47 VanDerWaalsContact O-O 3.12Å |
| 5 | G | 89.2 | Confident | 91 | Very high | 43 Ų | 43 | 90.1 Ų | 90.1 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C3 G47 | C3-G5 PolarHBondContact O-N 2.65Å; G5-G47 WeakPolarHBondContact CA-O 3.26Å |
| 6 | C | 92 | Very high | 91.1 | Very high | 38 Ų | 38 | 86.1 Ų | 86.1 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | 5.8 | 178.7 | 69.3 | 0 | 0 | 0 | 0 | 114.9 | C3 R8 H24 | C3-C6 PolarHBondContact O-N 2.87Å; C6-R8 PolarHBondContact O-N 2.91Å; C6-R8 VanDerWaalsContact O-N 3.1Å; C6-H24 PolarHBondContact SG-CE1 3.45Å; C6-H24 PolarHBondContact SG-ND1 2.87Å |
| 7 | D | 90.2 | Very high | 91 | Very high | 100 Ų | 100 | 86.1 Ų | 86.1 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 33.3 | -175.8 | -157.6 | -121.4 | 0 | 0 | 0 | 114.5 | R2 C3 | R2-D7 WeakPolarHBondContact CD-O 3.17Å; R2-D7 VanDerWaalsContact CD-OD2 3.25Å; R2-D7 WeakPolarHBondContact CD-OD2 3.44Å; R2-D7 IonicContact CZ-OD1 3.91Å; R2-D7 IonicContact CZ-OD2 3.95Å; R2-D7 IonicContact NE-OD1 3.75Å; R2-D7 IonicContact NE-OD2 3.74Å; R2-D7 PolarHBondContact NE-OD2 2.82Å; R2-D7 VanDerWaalsContact NE-OD2 3.12Å; R2-D7 IonicContact NH1-OD1 3.98Å; C3-D7 WeakPolarHBondContact O-CA 3.38Å; C3-D7 PolarHBondContact O-N 2.94Å |
| 8 | R | 92.8 | Very high | 90.8 | Very high | 164 Ų | 164 | 81.7 Ų | 81.7 | 62% | 0.619 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 156.2 | 176.2 | -70.8 | -179.1 | -68.2 | -171 | -1.2 | 111.6 | C3 C6 V10 | C3-R8 WeakPolarHBondContact CB-O 3.46Å; C3-R8 PolarHBondContact N-O 3.16Å; C6-R8 PolarHBondContact O-N 2.91Å; C6-R8 VanDerWaalsContact O-N 3.1Å; R8-V10 PolarHBondContact O-N 2.83Å |
| 9 | E | 94.3 | Very high | 90.4 | Very high | 124 Ų | 124 | 81.7 Ų | 81.7 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 131.5 | 175.6 | -70.8 | 154.6 | 81.8 | 0 | 0 | 111 | M1 H24 | M1-E9 CarbonylContact O-C 3.59Å; M1-E9 WeakPolarHBondContact O-CA 3.48Å; E9-H24 PolarHBondContact O-CE1 3.42Å; E9-H24 PolarHBondContact O-NE2 3.38Å |
| 10 | V | 94.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.03 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 130.4 | 170.9 | -173.5 | 0 | 0 | 0 | 0 | 106.8 | M1 C3 R8 R15 D22 | M1-V10 VanDerWaalsContact CE-C 3.46Å; M1-V10 HydrophobicContact CE-CB 4.27Å; M1-V10 HydrophobicContact CE-CG1 4.16Å; M1-V10 WeakPolarHBondContact CE-O 3.05Å; M1-V10 HydrophobicContact CG-CB 3.92Å; M1-V10 WeakPolarHBondContact CG-O 3.3Å; M1-V10 PolarHBondContact O-N 3.16Å; M1-V10 HydrophobicContact SD-CB 4.32Å; M1-V10 HydrophobicContact SD-CG1 4.48Å; C3-V10 HydrophobicContact CB-CG2 3.51Å; R8-V10 PolarHBondContact O-N 2.83Å; V10-R15 VanDerWaalsContact CG1-CA 3.43Å; V10-R15 HydrophobicContact CG1-CB 3.65Å; V10-D22 HydrophobicContact CB-CB 4.3Å; V10-D22 HydrophobicContact CG1-CB 4.39Å; V10-D22 HydrophobicContact CG2-CB 4.35Å |
| 11 | Y | 93.5 | Very high | 90.2 | Very high | 157 Ų | 157 | 80.6 Ų | 80.6 | 62% | 0.616 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -101 | 158 | 172.9 | -64.5 | -75.1 | 0 | 0 | 0 | 110 | A13 E14 R15 | Y11-A13 PolarHBondContact O-N 3.42Å; Y11-A13 VanDerWaalsContact O-N 3.07Å; Y11-E14 PolarHBondContact O-N 2.78Å; Y11-R15 PolarHBondContact O-N 2.89Å; Y11-R15 VanDerWaalsContact O-N 3.07Å |
| 12 | F | 91.4 | Very high | 90.7 | Very high | 167 Ų | 167 | 78 Ų | 78 | 73% | 0.732 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -53.1 | -35.3 | -174 | -175.4 | -98.5 | 0 | 0 | 0 | 113.7 | E14 R15 | F12-E14 PolarHBondContact O-N 3.45Å; F12-R15 WeakPolarHBondContact O-CG 3.4Å |
| 13 | A | 92 | Very high | 90.8 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 70% | 0.702 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -64.9 | -33.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y11 | Y11-A13 PolarHBondContact O-N 3.42Å; Y11-A13 VanDerWaalsContact O-N 3.07Å |
| 14 | E | 89.1 | Confident | 90.9 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -108.8 | 5.8 | -176.5 | -71.1 | -71.9 | 90 | 0 | 0 | 112.3 | Y11 F12 W23 H24 R25 Q26 | Y11-E14 PolarHBondContact O-N 2.78Å; F12-E14 PolarHBondContact O-N 3.45Å; E14-W23 VanDerWaalsContact O-O 3.13Å; E14-H24 WeakPolarHBondContact O-CA 3.32Å; E14-R25 PolarHBondContact O-N 3.48Å; E14-R25 VanDerWaalsContact O-N 3.1Å; E14-R25 VanDerWaalsContact OE1-CD 3.32Å; E14-R25 WeakPolarHBondContact OE1-CD 3.43Å; E14-Q26 PolarHBondContact OE2-NE2 3.22Å |
| 15 | R | 91.7 | Very high | 90.9 | Very high | 117 Ų | 117 | 77 Ų | 77 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.7 | -174.1 | 87.1 | -177.8 | -151.8 | 128.7 | 1.3 | 111.2 | M1 V10 Y11 F12 D22 W23 | M1-R15 HydrophobicContact CE-CB 3.79Å; M1-R15 HydrophobicContact SD-CB 4.28Å; V10-R15 VanDerWaalsContact CG1-CA 3.43Å; V10-R15 HydrophobicContact CG1-CB 3.65Å; Y11-R15 PolarHBondContact O-N 2.89Å; Y11-R15 VanDerWaalsContact O-N 3.07Å; F12-R15 WeakPolarHBondContact O-CG 3.4Å; R15-D22 IonicContact NH1-OD1 3.12Å; R15-W23 CarbonylContact C-O 3.57Å |
| 16 | V | 91.9 | Very high | 91 | Very high | 25 Ų | 25 | 81.3 Ų | 81.3 | 15% | 0.152 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 114.2 | 168.3 | -168.4 | 0 | 0 | 0 | 0 | 108.4 | S18 W23 R25 L28 P39 | V16-S18 PolarHBondContact O-N 2.85Å; V16-W23 PolarHBondContact N-O 3.22Å; V16-W23 PolarHBondContact O-N 2.79Å; V16-R25 HydrophobicContact CG2-CB 4.23Å; V16-R25 HydrophobicContact CG2-CG 3.43Å; V16-R25 VanDerWaalsContact CG2-CG 3.43Å; V16-L28 HydrophobicContact CB-CD1 3.52Å; V16-L28 HydrophobicContact CG1-CD1 3.38Å; V16-L28 HydrophobicContact CG2-CD1 3.94Å; V16-P39 HydrophobicContact CG1-CB 3.66Å; V16-P39 HydrophobicContact CG1-CG 3.93Å |
| 17 | S | 89.2 | Confident | 91 | Very high | 86 Ų | 86 | 80.6 Ų | 80.6 | 60% | 0.601 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.6 | 174 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | C21 | S17-C21 WeakPolarHBondContact CA-O 3.48Å |
| 18 | S | 87.3 | Confident | 91.1 | Very high | 7 Ų | 7 | 76 Ų | 76 | 5% | 0.049 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 139.3 | 177.7 | -165 | 0 | 0 | 0 | 0 | 110 | V16 G20 C21 W23 G40 | V16-S18 PolarHBondContact O-N 2.85Å; S18-G20 PolarHBondContact O-N 3.27Å; S18-C21 PolarHBondContact N-O 3.47Å; S18-C21 PolarHBondContact O-N 2.84Å; S18-W23 PolarHBondContact O-NE1 3.27Å; S18-G40 PolarHBondContact OG-N 2.95Å |
| 19 | F | 84.2 | Confident | 91.1 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 28.5 | -177.7 | -49.3 | -76.4 | 0 | 0 | 0 | 114.3 | C21 G42 E44 L49 | F19-C21 PolarHBondContact O-N 2.78Å; F19-G42 WeakPolarHBondContact CE1-O 3.5Å; F19-G42 WeakPolarHBondContact CZ-O 3.49Å; F19-E44 HydrophobicContact CB-CB 4.45Å; F19-E44 HydrophobicContact CD2-CB 4.22Å; F19-E44 HydrophobicContact CG-CB 4.25Å; F19-L49 HydrophobicContact CD2-CD1 4Å; F19-L49 HydrophobicContact CE2-CD1 3.5Å; F19-L49 VanDerWaalsContact CE2-CD1 3.5Å; F19-L49 HydrophobicContact CZ-CD1 4.27Å |
| 20 | G | 87.5 | Confident | 91.1 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 90% | 0.897 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 1.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S18 | S18-G20 PolarHBondContact O-N 3.27Š|
| 21 | C | 89.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 69.4 Ų | 69.4 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 158.7 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | P4 S17 S18 F19 W23 | P4-C21 HydrophobicContact CG-CB 4.39Å; S17-C21 WeakPolarHBondContact CA-O 3.48Å; S18-C21 PolarHBondContact N-O 3.47Å; S18-C21 PolarHBondContact O-N 2.84Å; F19-C21 PolarHBondContact O-N 2.78Å; C21-W23 VanDerWaalsContact O-CD1 3.32Å |
| 22 | D | 92 | Very high | 90.8 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.9 | 171.6 | -62.1 | -77.6 | 0 | 0 | 0 | 110.6 | M1 C3 V10 R15 | M1-D22 HydrophobicContact CB-CB 3.91Å; M1-D22 VanDerWaalsContact CB-OD2 3.26Å; M1-D22 WeakPolarHBondContact CB-OD2 2.99Å; M1-D22 HydrophobicContact CG-CB 4.29Å; M1-D22 HydrophobicContact SD-CB 4.01Å; C3-D22 WeakPolarHBondContact CA-O 2.85Å; V10-D22 HydrophobicContact CB-CB 4.3Å; V10-D22 HydrophobicContact CG1-CB 4.39Å; V10-D22 HydrophobicContact CG2-CB 4.35Å; R15-D22 IonicContact NH1-OD1 3.12Å |
| 23 | W | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 152.5 | 178.4 | -63.2 | 78.3 | 0 | 0 | 0 | 110.7 | P4 E14 R15 V16 S18 C21 C27 L28 E44 L49 | P4-W23 HydrophobicContact CB-CH2 4.28Å; P4-W23 HydrophobicContact CB-CZ2 4.44Å; P4-W23 HydrophobicContact CG-CD2 4.02Å; P4-W23 HydrophobicContact CG-CE3 4.11Å; P4-W23 HydrophobicContact CG-CH2 3.49Å; P4-W23 VanDerWaalsContact CG-CH2 3.49Å; P4-W23 HydrophobicContact CG-CZ2 3.33Å; P4-W23 HydrophobicContact CG-CZ3 3.87Å; E14-W23 VanDerWaalsContact O-O 3.13Å; R15-W23 CarbonylContact C-O 3.57Å; V16-W23 PolarHBondContact N-O 3.22Å; V16-W23 PolarHBondContact O-N 2.79Å; S18-W23 PolarHBondContact O-NE1 3.27Å; C21-W23 VanDerWaalsContact O-CD1 3.32Å; W23-C27 HydrophobicContact CE3-CB 4.37Å; W23-L28 HydrophobicContact CB-CD1 4.38Å; W23-L28 HydrophobicContact CB-CD2 3.96Å; W23-L28 HydrophobicContact CB-CG 3.79Å; W23-L28 HydrophobicContact CD2-CD2 4.12Å; W23-L28 HydrophobicContact CG-CD2 3.85Å; W23-L28 HydrophobicContact CG-CG 4.24Å; W23-E44 HydrophobicContact CH2-CB 4.22Å; W23-E44 HydrophobicContact CH2-CG 3.67Å; W23-E44 HydrophobicContact CZ2-CB 3.85Å; W23-E44 HydrophobicContact CZ2-CG 3.56Å; W23-L49 HydrophobicContact CH2-CB 4.12Å; W23-L49 HydrophobicContact CH2-CD1 4.49Å; W23-L49 HydrophobicContact CZ3-CB 4.17Å |
| 24 | H | 93.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 142.2 | 161.4 | -53.1 | 100.6 | 0 | 0 | 0 | 109.5 | C3 C6 E9 E14 Q26 C27 L28 | C3-H24 WeakPolarHBondContact CB-CE1 3.42Å; C3-H24 WeakPolarHBondContact CB-ND1 3.32Å; C3-H24 PolarHBondContact SG-ND1 2.95Å; C6-H24 PolarHBondContact SG-CE1 3.45Å; C6-H24 PolarHBondContact SG-ND1 2.87Å; E9-H24 PolarHBondContact O-CE1 3.42Å; E9-H24 PolarHBondContact O-NE2 3.38Å; E14-H24 WeakPolarHBondContact O-CA 3.32Å; H24-Q26 PolarHBondContact O-N 2.85Å; H24-Q26 VanDerWaalsContact O-N 3.09Å; H24-C27 HydrophobicContact CB-CB 3.97Å; H24-C27 WeakPolarHBondContact O-CA 3.46Å; H24-C27 WeakPolarHBondContact O-CB 3.43Å; H24-C27 PolarHBondContact O-N 3.3Å; H24-L28 PolarHBondContact O-N 3.07Å; H24-L28 VanDerWaalsContact O-N 3.1Å |
| 25 | R | 90.1 | Very high | 91.1 | Very high | 155 Ų | 155 | 68 Ų | 68 | 59% | 0.585 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -40.6 | 171.5 | -59.5 | 175.7 | 83.3 | -177.5 | 4.3 | 112.3 | E14 V16 | E14-R25 PolarHBondContact O-N 3.48Å; E14-R25 VanDerWaalsContact O-N 3.1Å; E14-R25 VanDerWaalsContact OE1-CD 3.32Å; E14-R25 WeakPolarHBondContact OE1-CD 3.43Å; V16-R25 HydrophobicContact CG2-CB 4.23Å; V16-R25 HydrophobicContact CG2-CG 3.43Å; V16-R25 VanDerWaalsContact CG2-CG 3.43Å |
| 26 | Q | 90.7 | Very high | 91 | Very high | 133 Ų | 133 | 67.4 Ų | 67.4 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17 | 180 | -62.1 | 171.8 | 66.7 | 0 | 0 | 114.1 | E14 H24 K29 | E14-Q26 PolarHBondContact OE2-NE2 3.22Å; H24-Q26 PolarHBondContact O-N 2.85Å; H24-Q26 VanDerWaalsContact O-N 3.09Å; Q26-K29 VanDerWaalsContact O-CD 3.32Å; Q26-K29 WeakPolarHBondContact O-CD 3.48Å; Q26-K29 WeakPolarHBondContact O-CE 3.45Å; Q26-K29 PolarHBondContact O-NZ 2.83Å |
| 27 | C | 92.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -14.8 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | C3 W23 H24 K29 | C3-C27 WeakPolarHBondContact SG-CB 3.39Å; W23-C27 HydrophobicContact CE3-CB 4.37Å; H24-C27 HydrophobicContact CB-CB 3.97Å; H24-C27 WeakPolarHBondContact O-CA 3.46Å; H24-C27 WeakPolarHBondContact O-CB 3.43Å; H24-C27 PolarHBondContact O-N 3.3Å; C27-K29 PolarHBondContact O-N 3.39Å |
| 28 | L | 92 | Very high | 90.8 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | trans | -72.6 | 61.7 | 169.9 | -78.2 | 174.6 | 0 | 0 | 0 | 111.7 | V16 W23 H24 M37 L49 | V16-L28 HydrophobicContact CB-CD1 3.52Å; V16-L28 HydrophobicContact CG1-CD1 3.38Å; V16-L28 HydrophobicContact CG2-CD1 3.94Å; W23-L28 HydrophobicContact CB-CD1 4.38Å; W23-L28 HydrophobicContact CB-CD2 3.96Å; W23-L28 HydrophobicContact CB-CG 3.79Å; W23-L28 HydrophobicContact CD2-CD2 4.12Å; W23-L28 HydrophobicContact CG-CD2 3.85Å; W23-L28 HydrophobicContact CG-CG 4.24Å; H24-L28 PolarHBondContact O-N 3.07Å; H24-L28 VanDerWaalsContact O-N 3.1Å; L28-M37 PolarHBondContact O-N 3.48Å; L28-L49 HydrophobicContact CB-CD2 4.31Å; L28-L49 HydrophobicContact CD2-CD2 3.69Å | ||
| 29 | K | 93 | Very high | 90.8 | Very high | 89 Ų | 89 | 72.2 Ų | 72.2 | 39% | 0.387 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -137.4 | 148.6 | 175.9 | 60.9 | -171.3 | 166.1 | -150.3 | 0 | 110.7 | Q26 C27 S31 K35 | Q26-K29 VanDerWaalsContact O-CD 3.32Å; Q26-K29 WeakPolarHBondContact O-CD 3.48Å; Q26-K29 WeakPolarHBondContact O-CE 3.45Å; Q26-K29 PolarHBondContact O-NZ 2.83Å; C27-K29 PolarHBondContact O-N 3.39Å; K29-S31 PolarHBondContact O-N 2.96Å; K29-K35 CarbonylContact C-O 3.4Å; K29-K35 WeakPolarHBondContact CA-O 3.46Å; K29-K35 WeakPolarHBondContact CB-O 3.45Å |
| 30 | C | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -62.9 | 127 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | R32 C33 N34 K35 L49 C51 C55 | C30-R32 PolarHBondContact O-N 3.41Å; C30-R32 PolarHBondContact SG-N 2.99Å; C30-R32 VanDerWaalsContact SG-N 3.42Å; C30-C33 WeakPolarHBondContact CB-SG 3.07Å; C30-C33 PolarHBondContact SG-SG 3.03Å; C30-N34 WeakPolarHBondContact O-CA 3.42Å; C30-N34 PolarHBondContact O-N 3.38Å; C30-K35 PolarHBondContact N-O 3.31Å; C30-L49 CarbonylContact C-O 3.55Å; C30-L49 VanDerWaalsContact CA-O 3.26Å; C30-L49 WeakPolarHBondContact CA-O 3.44Å; C30-C51 WeakPolarHBondContact CB-SG 3.32Å; C30-C51 PolarHBondContact SG-N 2.85Å; C30-C51 VanDerWaalsContact SG-N 3.42Å; C30-C55 VanDerWaalsContact SG-SG 3.6Å | ||
| 31 | S | 91.6 | Very high | 90.9 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 113.4 | K29 L49 | K29-S31 PolarHBondContact O-N 2.96Å; S31-L49 PolarHBondContact N-O 3.41Å |
| 32 | R | 90.5 | Very high | 91 | Very high | 122 Ų | 122 | 67.8 Ų | 67.8 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -49.2 | 179.4 | -176.1 | -177.5 | 174.2 | -153.3 | -4.2 | 112.7 | C30 Y50 C55 T58 L59 | C30-R32 PolarHBondContact O-N 3.41Å; C30-R32 PolarHBondContact SG-N 2.99Å; C30-R32 VanDerWaalsContact SG-N 3.42Å; R32-Y50 HydrophobicContact CB-CD1 4.32Å; R32-Y50 HydrophobicContact CB-CE1 4.46Å; R32-C55 HydrophobicContact CB-CB 4.26Å; R32-T58 PolarHBondContact NH1-OG1 3.1Å; R32-L59 HydrophobicContact CB-CD1 4.48Å |
| 33 | C | 94.5 | Very high | 90.9 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 43% | 0.432 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 0.5 | -175.4 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | C30 K35 C55 | C30-C33 WeakPolarHBondContact CB-SG 3.07Å; C30-C33 PolarHBondContact SG-SG 3.03Å; C33-K35 PolarHBondContact O-N 3.28Å; C33-K35 WeakPolarHBondContact SG-CB 3.26Å; C33-C55 VanDerWaalsContact SG-SG 3.62Å |
| 34 | N | 91.3 | Very high | 90.7 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | trans | 56.5 | 14.5 | -179.2 | -64.3 | 34.6 | 0 | 0 | 0 | 114.5 | C30 T36 | C30-N34 WeakPolarHBondContact O-CA 3.42Å; C30-N34 PolarHBondContact O-N 3.38Å; N34-T36 PolarHBondContact O-N 2.81Å | ||
| 35 | K | 92.1 | Very high | 90.5 | Very high | 136 Ų | 136 | 75.3 Ų | 75.3 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | trans | -69.1 | 124.1 | 177 | -175.6 | 178.5 | 180 | -176.2 | 0 | 110.1 | K29 C30 C33 | K29-K35 CarbonylContact C-O 3.4Å; K29-K35 WeakPolarHBondContact CA-O 3.46Å; K29-K35 WeakPolarHBondContact CB-O 3.45Å; C30-K35 PolarHBondContact N-O 3.31Å; C33-K35 PolarHBondContact O-N 3.28Å; C33-K35 WeakPolarHBondContact SG-CB 3.26Å | ||
| 36 | T | 90.7 | Very high | 90.4 | Very high | 105 Ų | 105 | 75 Ų | 75 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | B | Isolated β-bridge | trans | -64 | 133.1 | 170.2 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | N34 | N34-T36 PolarHBondContact O-N 2.81Å |
| 37 | M | 88.2 | Confident | 90.2 | Very high | 19 Ų | 19 | 69.7 Ų | 69.7 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | trans | -121.8 | 154.5 | -177.9 | -60.6 | -163.6 | -65.5 | 0 | 0 | 111.1 | L28 L49 Y50 C51 | L28-M37 PolarHBondContact O-N 3.48Å; M37-L49 HydrophobicContact CE-CD1 4.25Å; M37-L49 HydrophobicContact CE-CD2 3.44Å; M37-L49 VanDerWaalsContact CE-CD2 3.44Å; M37-L49 HydrophobicContact CE-CG 3.47Å; M37-L49 VanDerWaalsContact CE-CG 3.47Å; M37-Y50 WeakPolarHBondContact CE-O 3.47Å; M37-C51 WeakPolarHBondContact SD-CA 3.25Å; M37-C51 HydrophobicContact SD-CB 3.86Å; M37-C51 PolarHBondContact SD-SG 3.42Å | ||
| 38 | L | 88.2 | Confident | 90 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | trans | -72.3 | 153.1 | 170.1 | -66.6 | 97.6 | 0 | 0 | 0 | 110.1 | G40 C41 | L38-G40 PolarHBondContact O-N 2.94Å; L38-C41 HydrophobicContact CB-CB 4.09Å; L38-C41 WeakPolarHBondContact O-CB 3.19Å; L38-C41 PolarHBondContact O-N 3.19Å | ||
| 39 | P | 86.8 | Confident | 90 | Very high | 75 Ų | 75 | 75.5 Ų | 75.5 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 129.7 | 169.2 | 21.4 | -31.9 | 0 | 0 | 0 | 110.5 | V16 C41 | V16-P39 HydrophobicContact CG1-CB 3.66Å; V16-P39 HydrophobicContact CG1-CG 3.93Å; P39-C41 VanDerWaalsContact C-N 3.32Å; P39-C41 PolarHBondContact O-N 3.18Å |
| 40 | G | 86.4 | Confident | 90 | Very high | 53 Ų | 53 | 72.2 Ų | 72.2 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S18 L38 | S18-G40 PolarHBondContact OG-N 2.95Å; L38-G40 PolarHBondContact O-N 2.94Å |
| 41 | C | 88 | Confident | 89.9 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 49% | 0.493 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -89.2 | 7 | 179 | -95.2 | 0 | 0 | 0 | 0 | 115 | L38 P39 T52 | L38-C41 HydrophobicContact CB-CB 4.09Å; L38-C41 WeakPolarHBondContact O-CB 3.19Å; L38-C41 PolarHBondContact O-N 3.19Å; P39-C41 VanDerWaalsContact C-N 3.32Å; P39-C41 PolarHBondContact O-N 3.18Å; C41-T52 PolarHBondContact O-OG1 3.05Å |
| 42 | G | 90.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | -167.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F19 Y50 | F19-G42 WeakPolarHBondContact CE1-O 3.5Å; F19-G42 WeakPolarHBondContact CZ-O 3.49Å; G42-Y50 CarbonylContact C-O 3.58Å; G42-Y50 WeakPolarHBondContact CA-O 3.32Å |
| 43 | L | 90.6 | Very high | 89.7 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.7 | 165.3 | -79.8 | 75 | 0 | 0 | 0 | 108.5 | Y50 T52 Y56 | L43-Y50 PolarHBondContact N-O 3.04Å; L43-Y50 PolarHBondContact O-N 2.8Å; L43-T52 HydrophobicContact CD1-CG2 3.94Å; L43-T52 WeakPolarHBondContact CD1-OG1 3.47Å; L43-Y56 HydrophobicContact CB-CD2 3.62Å; L43-Y56 HydrophobicContact CB-CE2 3.72Å; L43-Y56 HydrophobicContact CB-CG 4.17Å; L43-Y56 HydrophobicContact CD2-CD1 3.78Å; L43-Y56 HydrophobicContact CD2-CD2 3.99Å; L43-Y56 HydrophobicContact CD2-CE1 3.51Å; L43-Y56 HydrophobicContact CD2-CE2 3.69Å; L43-Y56 HydrophobicContact CD2-CG 4.02Å; L43-Y56 VanDerWaalsContact CD2-CZ 3.44Å; L43-Y56 HydrophobicContact CG-CD2 4.4Å; L43-Y56 HydrophobicContact CG-CE2 4.37Å |
| 44 | E | 89.7 | Confident | 89.4 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.2 | 166 | -177 | -111 | 121 | 0 | 0 | 110 | F19 W23 D46 G47 R48 L49 | F19-E44 HydrophobicContact CB-CB 4.45Å; F19-E44 HydrophobicContact CD2-CB 4.22Å; F19-E44 HydrophobicContact CG-CB 4.25Å; W23-E44 HydrophobicContact CH2-CB 4.22Å; W23-E44 HydrophobicContact CH2-CG 3.67Å; W23-E44 HydrophobicContact CZ2-CB 3.85Å; W23-E44 HydrophobicContact CZ2-CG 3.56Å; E44-D46 PolarHBondContact OE1-N 2.91Å; E44-G47 PolarHBondContact OE1-N 3.33Å; E44-R48 WeakPolarHBondContact CA-O 3.42Å; E44-L49 HydrophobicContact CB-CD1 4.18Å |
| 45 | R | 89.2 | Confident | 89.5 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 127.6 | 171.4 | -177.5 | 168.1 | -179 | 152.4 | -1.5 | 109.9 | G47 R48 Y50 Y56 F60 | R45-G47 PolarHBondContact O-N 2.77Å; R45-R48 PolarHBondContact N-O 2.87Å; R45-R48 PolarHBondContact O-N 3.35Å; R45-R48 VanDerWaalsContact O-O 3.08Å; R45-Y50 HydrophobicContact CB-CD2 4.49Å; R45-Y50 HydrophobicContact CB-CE2 4.46Å; R45-Y56 HydrophobicContact CB-CE2 4.15Å; R45-F60 HydrophobicContact CG-CZ 4.33Å; R45-F60 VanDerWaalsContact NH1-CB 3.35Å |
| 46 | D | 87.3 | Confident | 89.5 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 80% | 0.797 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 36.9 | 176.6 | -156.3 | -121.2 | 0 | 0 | 0 | 112.5 | E44 R48 | E44-D46 PolarHBondContact OE1-N 2.91Å; D46-R48 PolarHBondContact O-N 3.24Å |
| 47 | G | 86.7 | Confident | 89.4 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 4.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P4 G5 E44 R45 | P4-G47 CarbonylContact C-O 3.45Å; P4-G47 VanDerWaalsContact O-O 3.12Å; G5-G47 WeakPolarHBondContact CA-O 3.26Å; E44-G47 PolarHBondContact OE1-N 3.33Å; R45-G47 PolarHBondContact O-N 2.77Å |
| 48 | R | 88.7 | Confident | 89.4 | Confident | 142 Ų | 142 | 66.3 Ų | 66.3 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.4 | 178.2 | -64.5 | 178.6 | 176 | 170.9 | -1.8 | 110.8 | E44 R45 D46 Y50 | E44-R48 WeakPolarHBondContact CA-O 3.42Å; R45-R48 PolarHBondContact N-O 2.87Å; R45-R48 PolarHBondContact O-N 3.35Å; R45-R48 VanDerWaalsContact O-O 3.08Å; D46-R48 PolarHBondContact O-N 3.24Å; R48-Y50 HydrophobicContact CB-CD2 4.44Å; R48-Y50 HydrophobicContact CB-CE2 3.55Å; R48-Y50 WeakPolarHBondContact CD-OH 3.21Å; R48-Y50 WeakPolarHBondContact O-CD2 3.36Å |
| 49 | L | 91.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137.5 | 178.6 | -167.9 | 73.8 | 0 | 0 | 0 | 110.7 | F19 W23 L28 C30 S31 M37 E44 | F19-L49 HydrophobicContact CD2-CD1 4Å; F19-L49 HydrophobicContact CE2-CD1 3.5Å; F19-L49 VanDerWaalsContact CE2-CD1 3.5Å; F19-L49 HydrophobicContact CZ-CD1 4.27Å; W23-L49 HydrophobicContact CH2-CB 4.12Å; W23-L49 HydrophobicContact CH2-CD1 4.49Å; W23-L49 HydrophobicContact CZ3-CB 4.17Å; L28-L49 HydrophobicContact CB-CD2 4.31Å; L28-L49 HydrophobicContact CD2-CD2 3.69Å; C30-L49 CarbonylContact C-O 3.55Å; C30-L49 VanDerWaalsContact CA-O 3.26Å; C30-L49 WeakPolarHBondContact CA-O 3.44Å; S31-L49 PolarHBondContact N-O 3.41Å; M37-L49 HydrophobicContact CE-CD1 4.25Å; M37-L49 HydrophobicContact CE-CD2 3.44Å; M37-L49 VanDerWaalsContact CE-CD2 3.44Å; M37-L49 HydrophobicContact CE-CG 3.47Å; M37-L49 VanDerWaalsContact CE-CG 3.47Å; E44-L49 HydrophobicContact CB-CD1 4.18Å |
| 50 | Y | 93 | Very high | 89.4 | Confident | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.078 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 145 | 178.7 | -61.7 | -85.4 | 0 | 0 | 0 | 111.2 | R32 M37 G42 L43 R45 R48 T52 L59 F60 | R32-Y50 HydrophobicContact CB-CD1 4.32Å; R32-Y50 HydrophobicContact CB-CE1 4.46Å; M37-Y50 WeakPolarHBondContact CE-O 3.47Å; G42-Y50 CarbonylContact C-O 3.58Å; G42-Y50 WeakPolarHBondContact CA-O 3.32Å; L43-Y50 PolarHBondContact N-O 3.04Å; L43-Y50 PolarHBondContact O-N 2.8Å; R45-Y50 HydrophobicContact CB-CD2 4.49Å; R45-Y50 HydrophobicContact CB-CE2 4.46Å; R48-Y50 HydrophobicContact CB-CD2 4.44Å; R48-Y50 HydrophobicContact CB-CE2 3.55Å; R48-Y50 WeakPolarHBondContact CD-OH 3.21Å; R48-Y50 WeakPolarHBondContact O-CD2 3.36Å; Y50-T52 PolarHBondContact O-N 3.1Å; Y50-L59 HydrophobicContact CD1-CD1 3.59Å; Y50-L59 HydrophobicContact CE1-CD1 3.39Å; Y50-F60 AromaticContact CD2-CE2 3.82Å; Y50-F60 HydrophobicContact CD2-CE2 3.82Å; Y50-F60 HydrophobicContact CE1-CE2 4.4Å; Y50-F60 AromaticContact CE2-CE2 3.69Å; Y50-F60 HydrophobicContact CE2-CE2 3.69Å; Y50-F60 AromaticContact CE2-CZ 3.99Å; Y50-F60 HydrophobicContact CE2-CZ 3.99Å; Y50-F60 HydrophobicContact CG-CE2 4.23Å; Y50-F60 AromaticContact CZ-CE2 4Å |
| 51 | C | 93.2 | Very high | 89.2 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.054 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 135.9 | 168.4 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | C30 M37 E53 C55 Y56 | C30-C51 WeakPolarHBondContact CB-SG 3.32Å; C30-C51 PolarHBondContact SG-N 2.85Å; C30-C51 VanDerWaalsContact SG-N 3.42Å; M37-C51 WeakPolarHBondContact SD-CA 3.25Å; M37-C51 HydrophobicContact SD-CB 3.86Å; M37-C51 PolarHBondContact SD-SG 3.42Å; C51-E53 PolarHBondContact O-N 3.34Å; C51-C55 HydrophobicContact CB-CB 4.04Å; C51-Y56 WeakPolarHBondContact O-CB 3.34Å; C51-Y56 PolarHBondContact O-N 2.82Å |
| 52 | T | 89.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -46 | -50.2 | 173.5 | -52 | 0 | 0 | 0 | 0 | 110.9 | C41 L43 Y50 | C41-T52 PolarHBondContact O-OG1 3.05Å; L43-T52 HydrophobicContact CD1-CG2 3.94Å; L43-T52 WeakPolarHBondContact CD1-OG1 3.47Å; Y50-T52 PolarHBondContact O-N 3.1Å |
| 53 | E | 88.1 | Confident | 87.5 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | I | π-helix | trans | -137.6 | 144.8 | 176.9 | -68.2 | -100.7 | 70 | 0 | 0 | 110.1 | C51 C55 N57 | C51-E53 PolarHBondContact O-N 3.34Å; E53-C55 VanDerWaalsContact C-N 3.32Å; E53-N57 WeakPolarHBondContact OE1-CB 3.42Å; E53-N57 VanDerWaalsContact OE1-CG 3.3Å; E53-N57 PolarHBondContact OE1-ND2 2.78Å |
| 54 | P | 88.1 | Confident | 86.1 | Confident | 84 Ų | 84 | 75 Ų | 75 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | I | π-helix | cis | -83.1 | -4.5 | -12.5 | 33.9 | -34.5 | 0 | 0 | 0 | 112.4 | T58 | P54-T58 VanDerWaalsContact O-CB 3.32Å; P54-T58 WeakPolarHBondContact O-CB 3.36Å; P54-T58 PolarHBondContact O-N 2.81Å; P54-T58 PolarHBondContact O-OG1 3.32Å |
| 55 | C | 93.6 | Very high | 84.6 | Confident | 6 Ų | 6 | 84 Ų | 84 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | I | π-helix | trans | -64.1 | -51.9 | -164.6 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | C30 R32 C33 C51 E53 L59 | C30-C55 VanDerWaalsContact SG-SG 3.6Å; R32-C55 HydrophobicContact CB-CB 4.26Å; C33-C55 VanDerWaalsContact SG-SG 3.62Å; C51-C55 HydrophobicContact CB-CB 4.04Å; E53-C55 VanDerWaalsContact C-N 3.32Å; C55-L59 WeakPolarHBondContact O-CB 2.99Å; C55-L59 WeakPolarHBondContact O-CD1 3.02Å; C55-L59 VanDerWaalsContact O-CG 3.3Å; C55-L59 WeakPolarHBondContact O-CG 2.91Å; C55-L59 PolarHBondContact O-N 3.24Å |
| 56 | Y | 91.7 | Very high | 83 | Confident | 56 Ų | 56 | 81.3 Ų | 81.3 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | I | π-helix | trans | -65.9 | -47.6 | 179.5 | -174.9 | -87.3 | 0 | 0 | 0 | 110.7 | L43 R45 C51 T58 L59 F60 G61 | L43-Y56 HydrophobicContact CB-CD2 3.62Å; L43-Y56 HydrophobicContact CB-CE2 3.72Å; L43-Y56 HydrophobicContact CB-CG 4.17Å; L43-Y56 HydrophobicContact CD2-CD1 3.78Å; L43-Y56 HydrophobicContact CD2-CD2 3.99Å; L43-Y56 HydrophobicContact CD2-CE1 3.51Å; L43-Y56 HydrophobicContact CD2-CE2 3.69Å; L43-Y56 HydrophobicContact CD2-CG 4.02Å; L43-Y56 VanDerWaalsContact CD2-CZ 3.44Å; L43-Y56 HydrophobicContact CG-CD2 4.4Å; L43-Y56 HydrophobicContact CG-CE2 4.37Å; R45-Y56 HydrophobicContact CB-CE2 4.15Å; C51-Y56 WeakPolarHBondContact O-CB 3.34Å; C51-Y56 PolarHBondContact O-N 2.82Å; Y56-T58 PolarHBondContact O-N 3.07Å; Y56-L59 PolarHBondContact O-N 2.83Å; Y56-F60 HydrophobicContact CD1-CB 4.4Å; Y56-F60 AromaticContact CD2-CD2 3.61Å; Y56-F60 HydrophobicContact CD2-CD2 3.61Å; Y56-F60 HydrophobicContact CD2-CE2 4.17Å; Y56-F60 HydrophobicContact CE1-CB 4.13Å; Y56-F60 AromaticContact CE2-CD2 3.77Å; Y56-F60 HydrophobicContact CE2-CD2 3.77Å; Y56-F60 HydrophobicContact CE2-CE2 4.38Å; Y56-F60 HydrophobicContact CE2-CG 4.4Å; Y56-F60 HydrophobicContact CG-CD2 4.04Å; Y56-F60 WeakPolarHBondContact O-CA 3.44Å; Y56-F60 WeakPolarHBondContact O-CB 3.39Å; Y56-F60 PolarHBondContact O-N 2.88Å; Y56-G61 PolarHBondContact O-N 2.87Å |
| 57 | N | 89 | Confident | 81.6 | Confident | 75 Ų | 75 | 78 Ų | 78 | 40% | 0.401 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 179.1 | -174.7 | 39.2 | 0 | 0 | 0 | 113.5 | E53 L59 G61 | E53-N57 WeakPolarHBondContact OE1-CB 3.42Å; E53-N57 VanDerWaalsContact OE1-CG 3.3Å; E53-N57 PolarHBondContact OE1-ND2 2.78Å; N57-L59 VanDerWaalsContact C-N 3.32Å; N57-L59 PolarHBondContact O-N 3.12Å; N57-G61 WeakPolarHBondContact O-CA 3.36Å; N57-G61 PolarHBondContact O-N 3.09Å; N57-G61 WeakPolarHBondContact OD1-CA 3.22Å |
| 58 | T | 87.8 | Confident | 80.3 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 48% | 0.479 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 175.7 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | R32 P54 Y56 | R32-T58 PolarHBondContact NH1-OG1 3.1Å; P54-T58 VanDerWaalsContact O-CB 3.32Å; P54-T58 WeakPolarHBondContact O-CB 3.36Å; P54-T58 PolarHBondContact O-N 2.81Å; P54-T58 PolarHBondContact O-OG1 3.32Å; Y56-T58 PolarHBondContact O-N 3.07Å |
| 59 | L | 87.2 | Confident | 78.7 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -83.8 | -38.3 | -176.4 | -73.1 | 170.5 | 0 | 0 | 0 | 112.7 | R32 Y50 C55 Y56 N57 | R32-L59 HydrophobicContact CB-CD1 4.48Å; Y50-L59 HydrophobicContact CD1-CD1 3.59Å; Y50-L59 HydrophobicContact CE1-CD1 3.39Å; C55-L59 WeakPolarHBondContact O-CB 2.99Å; C55-L59 WeakPolarHBondContact O-CD1 3.02Å; C55-L59 VanDerWaalsContact O-CG 3.3Å; C55-L59 WeakPolarHBondContact O-CG 2.91Å; C55-L59 PolarHBondContact O-N 3.24Å; Y56-L59 PolarHBondContact O-N 2.83Å; N57-L59 VanDerWaalsContact C-N 3.32Å; N57-L59 PolarHBondContact O-N 3.12Å |
| 60 | F | 88.3 | Confident | 77 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -131.7 | -8.1 | -167 | -54.9 | -65.5 | 0 | 0 | 0 | 114.1 | R45 Y50 Y56 | R45-F60 HydrophobicContact CG-CZ 4.33Å; R45-F60 VanDerWaalsContact NH1-CB 3.35Å; Y50-F60 AromaticContact CD2-CE2 3.82Å; Y50-F60 HydrophobicContact CD2-CE2 3.82Å; Y50-F60 HydrophobicContact CE1-CE2 4.4Å; Y50-F60 AromaticContact CE2-CE2 3.69Å; Y50-F60 HydrophobicContact CE2-CE2 3.69Å; Y50-F60 AromaticContact CE2-CZ 3.99Å; Y50-F60 HydrophobicContact CE2-CZ 3.99Å; Y50-F60 HydrophobicContact CG-CE2 4.23Å; Y50-F60 AromaticContact CZ-CE2 4Å; Y56-F60 HydrophobicContact CD1-CB 4.4Å; Y56-F60 AromaticContact CD2-CD2 3.61Å; Y56-F60 HydrophobicContact CD2-CD2 3.61Å; Y56-F60 HydrophobicContact CD2-CE2 4.17Å; Y56-F60 HydrophobicContact CE1-CB 4.13Å; Y56-F60 AromaticContact CE2-CD2 3.77Å; Y56-F60 HydrophobicContact CE2-CD2 3.77Å; Y56-F60 HydrophobicContact CE2-CE2 4.38Å; Y56-F60 HydrophobicContact CE2-CG 4.4Å; Y56-F60 HydrophobicContact CG-CD2 4.04Å; Y56-F60 WeakPolarHBondContact O-CA 3.44Å; Y56-F60 WeakPolarHBondContact O-CB 3.39Å; Y56-F60 PolarHBondContact O-N 2.88Å |
| 61 | G | 82.7 | Confident | 75.3 | Confident | 17 Ų | 17 | 92 Ų | 92 | 18% | 0.175 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -63 | 166.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y56 N57 R63 | Y56-G61 PolarHBondContact O-N 2.87Å; N57-G61 WeakPolarHBondContact O-CA 3.36Å; N57-G61 PolarHBondContact O-N 3.09Å; N57-G61 WeakPolarHBondContact OD1-CA 3.22Å; G61-R63 PolarHBondContact O-N 2.82Å |
| 62 | P | 78 | Confident | 73.6 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 81% | 0.805 | 55% | 0.547 | S | S | * | . | trans | -58.3 | 106.4 | 176.9 | 25.9 | -32.8 | 0 | 0 | 0 | 108 | G64 | P62-G64 PolarHBondContact O-N 3.4Š| ||
| 63 | R | 64.1 | Low | 72.1 | Confident | 218 Ų | 218 | 101.3 Ų | 101.3 | 82% | 0.823 | 56% | 0.561 | S | S | * | * | trans | -62.7 | 95.7 | 161.4 | -93.5 | 177.6 | 150.5 | -175.6 | -8.3 | 105 | G61 Y65 | G61-R63 PolarHBondContact O-N 2.82Å; R63-Y65 PolarHBondContact O-N 3.44Å; R63-Y65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | G | 60.4 | Low | 70.8 | Confident | 56 Ų | 56 | 104 Ų | 104 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | trans | -45.9 | 127.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | P62 G66 A67 | P62-G64 PolarHBondContact O-N 3.4Å; G64-G66 PolarHBondContact O-N 3.32Å; G64-A67 PolarHBondContact O-N 3.49Å | ||
| 65 | Y | 59.1 | Low | 69.6 | Low | 252 Ų | 252 | 111.2 Ų | 111.2 | 99% | 0.988 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 59 | -177.1 | -133.6 | -95.6 | 0 | 0 | 0 | 110.3 | R63 | R63-Y65 PolarHBondContact O-N 3.44Å; R63-Y65 VanDerWaalsContact O-N 3.16Å |
| 66 | G | 55.9 | Low | 68.3 | Low | 53 Ų | 53 | 118.6 Ų | 118.6 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -166.5 | -0.6 | -163 | 0 | 0 | 0 | 0 | 0 | 114.1 | G64 V68 | G64-G66 PolarHBondContact O-N 3.32Å; G66-V68 PolarHBondContact O-N 3.1Å |
| 67 | A | 57.5 | Low | 67.1 | Low | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 67% | 0.672 | S | S | * | * | trans | -74 | 53.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G64 | G64-A67 PolarHBondContact O-N 3.49Š| ||
| 68 | V | 58.7 | Low | 65.9 | Low | 99 Ų | 99 | 124.2 Ų | 124.2 | 60% | 0.6 | 69% | 0.686 | S | S | * | * | trans | -59.3 | 123.8 | 146.9 | -66 | 0 | 0 | 0 | 0 | 104.1 | G66 D70 | G66-V68 PolarHBondContact O-N 3.1Å; V68-D70 PolarHBondContact O-N 2.98Å; V68-D70 VanDerWaalsContact O-N 3.16Å | ||
| 69 | P | 54.8 | Low | 64.7 | Low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -52.7 | 128.1 | 155.8 | 25.6 | -29.9 | 0 | 0 | 0 | 105 | I71 | P69-I71 PolarHBondContact O-N 3.44Š| ||
| 70 | D | 57.3 | Low | 63.4 | Low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | -22.6 | 106.1 | 172 | -162.3 | -120.2 | 0 | 0 | 0 | 110.3 | V68 D72 | V68-D70 PolarHBondContact O-N 2.98Å; V68-D70 VanDerWaalsContact O-N 3.16Å; D70-D72 PolarHBondContact O-N 3.07Å | ||
| 71 | I | 56.7 | Low | 61.8 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | -78.1 | 65.6 | 178.3 | -166.3 | 155.1 | 0 | 0 | 0 | 107.3 | P69 D73 | P69-I71 PolarHBondContact O-N 3.44Å; I71-D73 HydrophobicContact CG1-CB 4.45Å; I71-D73 PolarHBondContact O-N 3.03Å | ||
| 72 | D | 58.1 | Low | 60.4 | Low | 139 Ų | 139 | 140.9 Ų | 140.9 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 54.1 | 165.6 | -163.8 | -118.8 | 0 | 0 | 0 | 109.4 | D70 | D70-D72 PolarHBondContact O-N 3.07Š|
| 73 | D | 57.8 | Low | 59.2 | Low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 16.8 | 171.1 | -164.1 | -115.3 | 0 | 0 | 0 | 111.3 | I71 | I71-D73 HydrophobicContact CG1-CB 4.45Å; I71-D73 PolarHBondContact O-N 3.03Å |
| 74 | F | 59.8 | Low | 58.8 | Low | 180 Ų | 180 | 136.2 Ų | 136.2 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -102.8 | 4.7 | 178.8 | -112 | -84 | 0 | 0 | 0 | 115.7 | ||
| 75 | Y | 64.2 | Low | 58.7 | Low | 236 Ų | 236 | 142.9 Ų | 142.9 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -125.6 | 62.1 | 167.8 | -106.1 | -90.1 | 0 | 0 | 0 | 111 | ||||
| 76 | A | 64.5 | Low | 58.6 | Low | 160 Ų | 160 | 133 Ų | 133 | 100% | 1.322 | 77% | 0.768 | S | S | * | * | trans | -75.1 | 0 | 148.1 | 0 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 76 of 76 residues in 105.4 ms
(Link to these results)