| 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 | Q | 76.9 | Confident | 89.3 | Confident | 134 Ų | 134 | 85 Ų | 85 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | 0 | -64.2 | 0 | -163.6 | 171.9 | 3.4 | 0 | 0 | 112 | F3 F4 C5 V10 V13 | Q1-F3 VanDerWaalsContact C-N 3.28Å; Q1-F3 PolarHBondContact O-N 2.83Å; Q1-F4 PolarHBondContact O-N 3.3Å; Q1-C5 PolarHBondContact O-N 2.86Å; Q1-V10 HydrophobicContact CG-CB 4.43Å; Q1-V10 HydrophobicContact CG-CG1 4.16Å; Q1-V13 HydrophobicContact CB-CG2 4.06Å; Q1-V13 HydrophobicContact CG-CG2 3.99Å | |||
| 2 | Q | 85.9 | Confident | 89.2 | Confident | 175 Ų | 175 | 85.3 Ų | 85.3 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | -44.7 | -175.9 | -127 | 89.8 | 20 | 0 | 0 | 115.3 | F4 C5 | Q2-F4 VanDerWaalsContact C-N 3.29Å; Q2-F4 PolarHBondContact O-N 3.06Å; Q2-C5 WeakPolarHBondContact O-CB 3.36Å; Q2-C5 PolarHBondContact O-N 3.24Å |
| 3 | F | 88.8 | Confident | 89.3 | Confident | 62 Ų | 62 | 82 Ų | 82 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.7 | 178.9 | 179.3 | -91.7 | 0 | 0 | 0 | 112.8 | Q1 Q6 Y7 L41 I43 | Q1-F3 VanDerWaalsContact C-N 3.28Å; Q1-F3 PolarHBondContact O-N 2.83Å; F3-Q6 VanDerWaalsContact CE2-NE2 3.25Å; F3-Q6 VanDerWaalsContact O-CD 3.31Å; F3-Q6 WeakPolarHBondContact O-CG 3.35Å; F3-Q6 PolarHBondContact O-NE2 2.89Å; F3-Y7 HydrophobicContact CD1-CE2 4.19Å; F3-Y7 AromaticContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CZ-CE2 4.13Å; F3-L41 HydrophobicContact CE1-CD1 3.88Å; F3-L41 HydrophobicContact CZ-CD1 4.36Å; F3-I43 HydrophobicContact CB-CG2 4.22Å; F3-I43 HydrophobicContact CD1-CD1 3.39Å; F3-I43 HydrophobicContact CD1-CG1 3.66Å; F3-I43 HydrophobicContact CD1-CG2 4.42Å; F3-I43 HydrophobicContact CD2-CG1 4.23Å; F3-I43 HydrophobicContact CD2-CG2 4.08Å; F3-I43 HydrophobicContact CE1-CD1 3.59Å; F3-I43 HydrophobicContact CE1-CG1 3.51Å; F3-I43 HydrophobicContact CE2-CG1 4.1Å; F3-I43 HydrophobicContact CG-CD1 4.01Å; F3-I43 HydrophobicContact CG-CG1 4.03Å; F3-I43 HydrophobicContact CG-CG2 3.98Å; F3-I43 HydrophobicContact CZ-CD1 4.34Å; F3-I43 HydrophobicContact CZ-CG1 3.75Å |
| 4 | F | 89.8 | Confident | 89.4 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 7% | 0.066 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -79.9 | -22.5 | -177.8 | -70.5 | -70.1 | 0 | 0 | 0 | 112.8 | Q1 Q2 Q6 Y7 V10 V25 F27 I43 I50 V86 | Q1-F4 PolarHBondContact O-N 3.3Å; Q2-F4 VanDerWaalsContact C-N 3.29Å; Q2-F4 PolarHBondContact O-N 3.06Å; F4-Q6 PolarHBondContact O-N 3.1Å; F4-Q6 VanDerWaalsContact O-N 3.1Å; F4-Y7 HydrophobicContact CD1-CD2 4.42Å; F4-Y7 PolarHBondContact O-N 3.48Å; F4-V10 HydrophobicContact CB-CG2 3.66Å; F4-V25 HydrophobicContact CB-CG1 4.26Å; F4-V25 HydrophobicContact CD2-CG1 4.36Å; F4-V25 HydrophobicContact CD2-CG2 3.95Å; F4-V25 HydrophobicContact CE2-CG2 3.95Å; F4-V25 HydrophobicContact CG-CG1 4.21Å; F4-F27 HydrophobicContact CB-CE1 4.22Å; F4-F27 HydrophobicContact CB-CZ 3.89Å; F4-F27 AromaticContact CD1-CZ 4Å; F4-F27 HydrophobicContact CD1-CZ 4Å; F4-F27 HydrophobicContact CG-CZ 4.29Å; F4-I43 HydrophobicContact CE1-CD1 4.46Å; F4-I43 HydrophobicContact CE2-CD1 3.98Å; F4-I43 HydrophobicContact CZ-CD1 3.69Å; F4-I50 HydrophobicContact CE1-CD1 4.06Å; F4-V86 HydrophobicContact CE1-CG2 4.38Å; F4-V86 HydrophobicContact CE2-CG2 4.3Å; F4-V86 HydrophobicContact CZ-CG1 4.04Å; F4-V86 HydrophobicContact CZ-CG2 3.75Å |
| 5 | C | 90.3 | Very high | 89.5 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -61.7 | -17.3 | 177 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | Q1 Q2 Y7 G8 | Q1-C5 PolarHBondContact O-N 2.86Å; Q2-C5 WeakPolarHBondContact O-CB 3.36Å; Q2-C5 PolarHBondContact O-N 3.24Å; C5-Y7 VanDerWaalsContact C-N 3.32Å; C5-G8 WeakPolarHBondContact CA-O 3.37Å |
| 6 | Q | 91.1 | Very high | 89.4 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -74.2 | -22.5 | 175.7 | 78.4 | -167.5 | -44.7 | 0 | 0 | 113.3 | F3 F4 | F3-Q6 VanDerWaalsContact CE2-NE2 3.25Å; F3-Q6 VanDerWaalsContact O-CD 3.31Å; F3-Q6 WeakPolarHBondContact O-CG 3.35Å; F3-Q6 PolarHBondContact O-NE2 2.89Å; F4-Q6 PolarHBondContact O-N 3.1Å; F4-Q6 VanDerWaalsContact O-N 3.1Å |
| 7 | Y | 90.8 | Very high | 89.3 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 34% | 0.341 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -24.3 | 179.9 | -59.5 | -77.9 | 0 | 0 | 0 | 112.3 | F3 F4 C5 V32 L36 L41 | F3-Y7 HydrophobicContact CD1-CE2 4.19Å; F3-Y7 AromaticContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CZ-CE2 4.13Å; F4-Y7 HydrophobicContact CD1-CD2 4.42Å; F4-Y7 PolarHBondContact O-N 3.48Å; C5-Y7 VanDerWaalsContact C-N 3.32Å; Y7-V32 VanDerWaalsContact O-CG1 3.28Å; Y7-V32 WeakPolarHBondContact O-CG1 3.37Å; Y7-V32 WeakPolarHBondContact O-CG2 3.36Å; Y7-L36 HydrophobicContact CD1-CD2 3.77Å; Y7-L36 HydrophobicContact CD2-CD1 4.17Å; Y7-L36 HydrophobicContact CD2-CD2 4.3Å; Y7-L36 HydrophobicContact CE1-CD2 3.9Å; Y7-L36 HydrophobicContact CE2-CD2 4.43Å; Y7-L36 HydrophobicContact CG-CD1 3.99Å; Y7-L36 HydrophobicContact CG-CD2 3.97Å; Y7-L36 HydrophobicContact CG-CG 4.48Å; Y7-L41 HydrophobicContact CE2-CD1 4.25Å |
| 8 | G | 92 | Very high | 89.4 | Confident | 22 Ų | 22 | 87.1 Ų | 87.1 | 23% | 0.227 | 44% | 0.439 | C | S | . | . | S | Bend | trans | 168.6 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C5 V10 | C5-G8 WeakPolarHBondContact CA-O 3.37Å; G8-V10 PolarHBondContact O-N 3.47Å |
| 9 | E | 93.6 | Very high | 89.5 | Confident | 146 Ų | 146 | 89.6 Ų | 89.6 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | trans | -68.1 | 121.3 | 177.8 | -175.1 | 177.7 | 177.9 | 0 | 0 | 110.8 | F27 A28 | E9-F27 CarbonylContact O-C 3.57Å; E9-F27 WeakPolarHBondContact O-CA 3.48Å; E9-A28 HydrophobicContact CB-CB 3.92Å; E9-A28 HydrophobicContact CG-CB 4.2Å; E9-A28 PolarHBondContact O-N 3.26Å | ||
| 10 | V | 92.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 93.5 Ų | 93.5 | 9% | 0.085 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.6 | 176.3 | 179 | 0 | 0 | 0 | 0 | 108.5 | Q1 F4 G8 V13 V25 F27 | Q1-V10 HydrophobicContact CG-CB 4.43Å; Q1-V10 HydrophobicContact CG-CG1 4.16Å; F4-V10 HydrophobicContact CB-CG2 3.66Å; G8-V10 PolarHBondContact O-N 3.47Å; V10-V13 HydrophobicContact CG1-CG2 3.6Å; V10-V25 HydrophobicContact CG1-CG1 3.83Å; V10-V25 HydrophobicContact CG2-CG1 4.3Å; V10-F27 HydrophobicContact CG2-CD1 4.05Å; V10-F27 HydrophobicContact CG2-CE1 3.69Å; V10-F27 HydrophobicContact CG2-CZ 4.33Å |
| 11 | V | 91.2 | Very high | 89.6 | Confident | 90 Ų | 90 | 91 Ų | 91 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -39.7 | -178.1 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | T26 A28 | V11-T26 PolarHBondContact N-O 3.4Å; V11-A28 HydrophobicContact CG2-CB 3.67Å |
| 12 | D | 88.4 | Confident | 90.4 | Very high | 88 Ų | 88 | 86.1 Ų | 86.1 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 151.1 | -177 | -168.9 | 23.6 | 0 | 0 | 0 | 112.4 | T26 | D12-T26 PolarHBondContact N-O 3.47Å; D12-T26 PolarHBondContact O-N 3.12Å |
| 13 | V | 90.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 78.6 Ų | 78.6 | 26% | 0.261 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 114.7 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | Q1 V10 I15 F24 V25 | Q1-V13 HydrophobicContact CB-CG2 4.06Å; Q1-V13 HydrophobicContact CG-CG2 3.99Å; V10-V13 HydrophobicContact CG1-CG2 3.6Å; V13-I15 HydrophobicContact CG1-CG1 4.49Å; V13-F24 CarbonylContact C-O 3.56Å; V13-F24 WeakPolarHBondContact CA-O 3.19Å; V13-V25 HydrophobicContact CG1-CG2 4.44Å; V13-V25 HydrophobicContact CG2-CG1 4.47Å; V13-V25 HydrophobicContact CG2-CG2 4.48Å |
| 14 | F | 90.4 | Very high | 90.8 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 46% | 0.456 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.7 | -179.5 | 176.2 | -113.5 | 0 | 0 | 0 | 111.4 | P16 A23 F24 | F14-P16 HydrophobicContact CD1-CG 4.3Å; F14-P16 HydrophobicContact CE1-CB 4.33Å; F14-P16 HydrophobicContact CE1-CG 3.8Å; F14-P16 HydrophobicContact CZ-CG 4.43Å; F14-A23 CarbonylContact O-C 3.54Å; F14-A23 WeakPolarHBondContact O-CA 3.36Å; F14-F24 HydrophobicContact CB-CB 4.34Å; F14-F24 AromaticContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CE2 4.13Å; F14-F24 HydrophobicContact CE1-CD2 4.26Å; F14-F24 HydrophobicContact CE1-CE2 4.36Å; F14-F24 PolarHBondContact N-O 3.34Å; F14-F24 PolarHBondContact O-N 3.49Å |
| 15 | I | 90.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 76.6 Ų | 76.6 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | trans | -109.3 | 110.4 | 175 | -54.7 | 175.6 | 0 | 0 | 0 | 108.1 | V13 F19 A23 | V13-I15 HydrophobicContact CG1-CG1 4.49Å; I15-F19 HydrophobicContact CG2-CD2 3.84Å; I15-F19 HydrophobicContact CG2-CE2 4.18Å; I15-A23 HydrophobicContact CG1-CB 3.93Å | ||
| 16 | P | 88 | Confident | 90.9 | Very high | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | trans | -57.8 | 141.9 | 178.7 | -24.5 | 33.5 | 0 | 0 | 0 | 112.7 | F14 P18 F19 F22 F24 | F14-P16 HydrophobicContact CD1-CG 4.3Å; F14-P16 HydrophobicContact CE1-CB 4.33Å; F14-P16 HydrophobicContact CE1-CG 3.8Å; F14-P16 HydrophobicContact CZ-CG 4.43Å; P16-P18 CarbonylContact C-O 3.54Å; P16-P18 CarbonylContact O-C 3.54Å; P16-P18 VanDerWaalsContact O-O 3.11Å; P16-F19 WeakPolarHBondContact O-CA 3.32Å; P16-F22 WeakPolarHBondContact CD-O 3.41Å; P16-F22 HydrophobicContact CG-CD2 4.1Å; P16-F22 HydrophobicContact CG-CE2 3.56Å; P16-F22 HydrophobicContact CG-CZ 4.05Å; P16-F24 HydrophobicContact CG-CD2 4.3Å; P16-F24 HydrophobicContact CG-CE2 3.95Å | ||
| 17 | K | 87.8 | Confident | 91 | Very high | 201 Ų | 201 | 69.2 Ų | 69.2 | 87% | 0.874 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -109.9 | 138.3 | 168.6 | -65.3 | -175.1 | -179.5 | 179.3 | 0 | 109.7 | ||
| 18 | P | 91.8 | Very high | 90.9 | Very high | 97 Ų | 97 | 67.7 Ų | 67.7 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -60.1 | 158 | -11.7 | 29.9 | -36 | 0 | 0 | 0 | 110.8 | P16 R20 | P16-P18 CarbonylContact C-O 3.54Å; P16-P18 CarbonylContact O-C 3.54Å; P16-P18 VanDerWaalsContact O-O 3.11Å; P18-R20 WeakPolarHBondContact O-CG 3.28Å; P18-R20 PolarHBondContact O-N 3.33Å |
| 19 | F | 90.9 | Very high | 90.8 | Very high | 134 Ų | 134 | 70 Ų | 70 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | trans | -62.7 | 128.8 | -176.5 | 179.4 | -114.9 | 0 | 0 | 0 | 110.9 | I15 P16 A21 L88 | I15-F19 HydrophobicContact CG2-CD2 3.84Å; I15-F19 HydrophobicContact CG2-CE2 4.18Å; P16-F19 WeakPolarHBondContact O-CA 3.32Å; F19-A21 HydrophobicContact CE1-CB 4.44Å; F19-L88 HydrophobicContact CE2-CD1 3.99Å; F19-L88 HydrophobicContact CZ-CD1 3.51Å | ||
| 20 | R | 89 | Confident | 90.5 | Very high | 167 Ų | 167 | 65.2 Ų | 65.2 | 63% | 0.63 | 34% | 0.339 | S | S | * | . | trans | -119.1 | 25.4 | -175.7 | -65.2 | -173.4 | -177 | -160.2 | -2.1 | 113.5 | P18 F22 | P18-R20 WeakPolarHBondContact O-CG 3.28Å; P18-R20 PolarHBondContact O-N 3.33Å; R20-F22 HydrophobicContact CB-CD1 3.73Å; R20-F22 HydrophobicContact CB-CE1 3.32Å; R20-F22 HydrophobicContact CB-CZ 4.14Å; R20-F22 HydrophobicContact CG-CE1 4.27Å; R20-F22 WeakPolarHBondContact O-CD1 3.47Å; R20-F22 PolarHBondContact O-N 3.24Å | ||
| 21 | A | 92.3 | Very high | 90.4 | Very high | 41 Ų | 41 | 71 Ų | 71 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 57.9 | 28.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F19 L88 | F19-A21 HydrophobicContact CE1-CB 4.44Å; A21-L88 PolarHBondContact O-N 3.48Å |
| 22 | F | 92.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.7 | 168.3 | 65.7 | -92.1 | 0 | 0 | 0 | 111.7 | P16 R20 F24 K85 V86 V87 | P16-F22 WeakPolarHBondContact CD-O 3.41Å; P16-F22 HydrophobicContact CG-CD2 4.1Å; P16-F22 HydrophobicContact CG-CE2 3.56Å; P16-F22 HydrophobicContact CG-CZ 4.05Å; R20-F22 HydrophobicContact CB-CD1 3.73Å; R20-F22 HydrophobicContact CB-CE1 3.32Å; R20-F22 HydrophobicContact CB-CZ 4.14Å; R20-F22 HydrophobicContact CG-CE1 4.27Å; R20-F22 WeakPolarHBondContact O-CD1 3.47Å; R20-F22 PolarHBondContact O-N 3.24Å; F22-F24 HydrophobicContact CD2-CD2 4.44Å; F22-F24 AromaticContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CZ 4.08Å; F22-F24 HydrophobicContact CE2-CD2 4.39Å; F22-F24 AromaticContact CE2-CE2 3.48Å; F22-F24 HydrophobicContact CE2-CE2 3.48Å; F22-F24 VanDerWaalsContact CE2-CE2 3.48Å; F22-F24 AromaticContact CE2-CZ 3.65Å; F22-F24 HydrophobicContact CE2-CZ 3.65Å; F22-K85 HydrophobicContact CB-CG 4.41Å; F22-K85 HydrophobicContact CD2-CG 4.21Å; F22-V86 CarbonylContact C-O 3.6Å; F22-V86 WeakPolarHBondContact CA-O 3.14Å; F22-V86 VanDerWaalsContact CB-O 3.26Å; F22-V86 WeakPolarHBondContact CB-O 3.41Å; F22-V87 HydrophobicContact CB-CG2 4.11Å |
| 23 | A | 92.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 162.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F14 I15 K85 V86 | F14-A23 CarbonylContact O-C 3.54Å; F14-A23 WeakPolarHBondContact O-CA 3.36Å; I15-A23 HydrophobicContact CG1-CB 3.93Å; A23-K85 WeakPolarHBondContact O-CA 3.4Å; A23-V86 PolarHBondContact N-O 2.91Å; A23-V86 PolarHBondContact O-N 2.82Å |
| 24 | F | 91.9 | Very high | 90.4 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.1 | 169 | -59.1 | -88 | 0 | 0 | 0 | 109.4 | V13 F14 P16 F22 A53 L84 K85 | V13-F24 CarbonylContact C-O 3.56Å; V13-F24 WeakPolarHBondContact CA-O 3.19Å; F14-F24 HydrophobicContact CB-CB 4.34Å; F14-F24 AromaticContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CE2 4.13Å; F14-F24 HydrophobicContact CE1-CD2 4.26Å; F14-F24 HydrophobicContact CE1-CE2 4.36Å; F14-F24 PolarHBondContact N-O 3.34Å; F14-F24 PolarHBondContact O-N 3.49Å; P16-F24 HydrophobicContact CG-CD2 4.3Å; P16-F24 HydrophobicContact CG-CE2 3.95Å; F22-F24 HydrophobicContact CD2-CD2 4.44Å; F22-F24 AromaticContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CZ 4.08Å; F22-F24 HydrophobicContact CE2-CD2 4.39Å; F22-F24 AromaticContact CE2-CE2 3.48Å; F22-F24 HydrophobicContact CE2-CE2 3.48Å; F22-F24 VanDerWaalsContact CE2-CE2 3.48Å; F22-F24 AromaticContact CE2-CZ 3.65Å; F22-F24 HydrophobicContact CE2-CZ 3.65Å; F24-A53 HydrophobicContact CD1-CB 3.73Å; F24-A53 HydrophobicContact CE1-CB 4.04Å; F24-L84 CarbonylContact C-O 3.47Å; F24-L84 WeakPolarHBondContact CA-O 3.09Å; F24-K85 HydrophobicContact CD1-CB 4.01Å; F24-K85 HydrophobicContact CD1-CG 4.37Å; F24-K85 HydrophobicContact CE1-CB 3.93Å; F24-K85 HydrophobicContact CE1-CD 4.38Å; F24-K85 HydrophobicContact CE1-CG 4.02Å |
| 25 | V | 92.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.5 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | F4 V10 V13 F27 S83 L84 V86 | F4-V25 HydrophobicContact CB-CG1 4.26Å; F4-V25 HydrophobicContact CD2-CG1 4.36Å; F4-V25 HydrophobicContact CD2-CG2 3.95Å; F4-V25 HydrophobicContact CE2-CG2 3.95Å; F4-V25 HydrophobicContact CG-CG1 4.21Å; V10-V25 HydrophobicContact CG1-CG1 3.83Å; V10-V25 HydrophobicContact CG2-CG1 4.3Å; V13-V25 HydrophobicContact CG1-CG2 4.44Å; V13-V25 HydrophobicContact CG2-CG1 4.47Å; V13-V25 HydrophobicContact CG2-CG2 4.48Å; V25-F27 HydrophobicContact CG1-CD2 4.31Å; V25-F27 HydrophobicContact CG1-CE2 3.8Å; V25-F27 HydrophobicContact CG1-CZ 4.06Å; V25-S83 CarbonylContact O-C 3.58Å; V25-S83 WeakPolarHBondContact O-CA 3.12Å; V25-L84 PolarHBondContact N-O 3.22Å; V25-L84 PolarHBondContact O-N 2.97Å; V25-V86 HydrophobicContact CG2-CG2 3.9Å |
| 26 | T | 90.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.2 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | V11 D12 S83 | V11-T26 PolarHBondContact N-O 3.4Å; D12-T26 PolarHBondContact N-O 3.47Å; D12-T26 PolarHBondContact O-N 3.12Å; T26-S83 PolarHBondContact OG1-OG 3.34Å |
| 27 | F | 91.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 157.8 | 175.2 | -70.7 | -86.3 | 0 | 0 | 0 | 111.7 | F4 E9 V10 V25 V32 A33 L36 T82 L84 | F4-F27 HydrophobicContact CB-CE1 4.22Å; F4-F27 HydrophobicContact CB-CZ 3.89Å; F4-F27 AromaticContact CD1-CZ 4Å; F4-F27 HydrophobicContact CD1-CZ 4Å; F4-F27 HydrophobicContact CG-CZ 4.29Å; E9-F27 CarbonylContact O-C 3.57Å; E9-F27 WeakPolarHBondContact O-CA 3.48Å; V10-F27 HydrophobicContact CG2-CD1 4.05Å; V10-F27 HydrophobicContact CG2-CE1 3.69Å; V10-F27 HydrophobicContact CG2-CZ 4.33Å; V25-F27 HydrophobicContact CG1-CD2 4.31Å; V25-F27 HydrophobicContact CG1-CE2 3.8Å; V25-F27 HydrophobicContact CG1-CZ 4.06Å; F27-V32 HydrophobicContact CD1-CB 4.45Å; F27-V32 HydrophobicContact CD1-CG1 3.65Å; F27-V32 HydrophobicContact CE1-CG1 3.79Å; F27-V32 HydrophobicContact CG-CG1 4.03Å; F27-V32 HydrophobicContact CZ-CG1 4.28Å; F27-A33 HydrophobicContact CD2-CB 4.29Å; F27-L36 HydrophobicContact CE1-CD1 4.39Å; F27-L36 HydrophobicContact CE2-CD1 3.78Å; F27-L36 HydrophobicContact CZ-CD1 3.53Å; F27-T82 PolarHBondContact N-O 2.91Å; F27-T82 WeakPolarHBondContact O-CB 3.5Å; F27-L84 HydrophobicContact CD2-CD1 4.38Å; F27-L84 HydrophobicContact CE2-CD1 4Å |
| 28 | A | 90.1 | Very high | 90.7 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -72.6 | -32.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E9 V11 | E9-A28 HydrophobicContact CB-CB 3.92Å; E9-A28 HydrophobicContact CG-CB 4.2Å; E9-A28 PolarHBondContact O-N 3.26Å; V11-A28 HydrophobicContact CG2-CB 3.67Å |
| 29 | D | 89.2 | Confident | 90.7 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | trans | -108.6 | 128.7 | -178.1 | -170.9 | -19.2 | 0 | 0 | 0 | 110.9 | K31 V32 A33 | D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.37Å; D29-K31 WeakPolarHBondContact OD1-CB 3.25Å; D29-K31 PolarHBondContact OD1-N 2.82Å; D29-V32 HydrophobicContact CB-CB 4.47Å; D29-V32 HydrophobicContact CB-CG2 3.99Å; D29-V32 PolarHBondContact O-N 3.48Å; D29-A33 PolarHBondContact O-N 3.29Å | ||
| 30 | D | 86.4 | Confident | 90.8 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.4 | -30.3 | 177.3 | 65 | -78.7 | 0 | 0 | 0 | 112.7 | V32 A33 Q34 R80 T82 | D30-V32 VanDerWaalsContact C-N 3.34Å; D30-V32 PolarHBondContact O-N 3Å; D30-A33 PolarHBondContact O-N 3.3Å; D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 3.34Å; D30-R80 HydrophobicContact CB-CB 4.39Å; D30-R80 WeakPolarHBondContact OD2-CD 3.48Å; D30-R80 IonicContact OD2-NE 3.84Å; D30-T82 HydrophobicContact CB-CG2 3.78Å |
| 31 | K | 90.1 | Very high | 90.9 | Very high | 135 Ų | 135 | 47.5 Ų | 47.5 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 178.3 | -63.6 | 177.2 | -178.6 | 175.6 | 0 | 111.5 | D29 A33 Q34 S35 | D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.37Å; D29-K31 WeakPolarHBondContact OD1-CB 3.25Å; D29-K31 PolarHBondContact OD1-N 2.82Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 2.85Å; K31-Q34 PolarHBondContact O-N 2.81Å; K31-S35 PolarHBondContact O-N 3.12Å; K31-S35 PolarHBondContact O-OG 3.31Å; K31-S35 VanDerWaalsContact O-OG 3.12Å |
| 32 | V | 91.5 | Very high | 90.9 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 110 | Y7 F27 D29 D30 Q34 S35 L36 | Y7-V32 VanDerWaalsContact O-CG1 3.28Å; Y7-V32 WeakPolarHBondContact O-CG1 3.37Å; Y7-V32 WeakPolarHBondContact O-CG2 3.36Å; F27-V32 HydrophobicContact CD1-CB 4.45Å; F27-V32 HydrophobicContact CD1-CG1 3.65Å; F27-V32 HydrophobicContact CE1-CG1 3.79Å; F27-V32 HydrophobicContact CG-CG1 4.03Å; F27-V32 HydrophobicContact CZ-CG1 4.28Å; D29-V32 HydrophobicContact CB-CB 4.47Å; D29-V32 HydrophobicContact CB-CG2 3.99Å; D29-V32 PolarHBondContact O-N 3.48Å; D30-V32 VanDerWaalsContact C-N 3.34Å; D30-V32 PolarHBondContact O-N 3Å; V32-Q34 PolarHBondContact O-N 3.06Å; V32-S35 PolarHBondContact O-N 2.66Å; V32-L36 HydrophobicContact CG1-CD1 4.26Å; V32-L36 WeakPolarHBondContact O-CG 3.35Å; V32-L36 PolarHBondContact O-N 3.12Å |
| 33 | A | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F27 D29 D30 K31 L36 C37 L84 | F27-A33 HydrophobicContact CD2-CB 4.29Å; D29-A33 PolarHBondContact O-N 3.29Å; D30-A33 PolarHBondContact O-N 3.3Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 2.85Å; A33-L36 PolarHBondContact O-N 3.38Å; A33-C37 WeakPolarHBondContact O-CB 3.17Å; A33-C37 PolarHBondContact O-N 3.08Å; A33-C37 VanDerWaalsContact O-N 3.12Å; A33-L84 HydrophobicContact CB-CD1 4.34Å; A33-L84 HydrophobicContact CB-CD2 4.25Å; A33-L84 HydrophobicContact CB-CG 4.17Å; A33-L84 WeakPolarHBondContact O-CD1 3.48Å; A33-L84 WeakPolarHBondContact O-CD2 3.43Å |
| 34 | Q | 89.6 | Confident | 90.6 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.9 | -71.1 | -157.9 | -61.1 | 0 | 0 | 112.5 | D30 K31 V32 L36 C37 | D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 3.34Å; K31-Q34 PolarHBondContact O-N 2.81Å; V32-Q34 PolarHBondContact O-N 3.06Å; Q34-L36 PolarHBondContact O-N 3.43Å; Q34-C37 PolarHBondContact O-N 3.21Å |
| 35 | S | 91.3 | Very high | 90.6 | Very high | 94 Ų | 94 | 62 Ų | 62 | 66% | 0.657 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -26 | 179.4 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | K31 V32 | K31-S35 PolarHBondContact O-N 3.12Å; K31-S35 PolarHBondContact O-OG 3.31Å; K31-S35 VanDerWaalsContact O-OG 3.12Å; V32-S35 PolarHBondContact O-N 2.66Å |
| 36 | L | 90.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -93.2 | -14 | 177.9 | -66.9 | 175.7 | 0 | 0 | 0 | 113.2 | Y7 F27 V32 A33 Q34 G38 E39 L41 I50 L84 | Y7-L36 HydrophobicContact CD1-CD2 3.77Å; Y7-L36 HydrophobicContact CD2-CD1 4.17Å; Y7-L36 HydrophobicContact CD2-CD2 4.3Å; Y7-L36 HydrophobicContact CE1-CD2 3.9Å; Y7-L36 HydrophobicContact CE2-CD2 4.43Å; Y7-L36 HydrophobicContact CG-CD1 3.99Å; Y7-L36 HydrophobicContact CG-CD2 3.97Å; Y7-L36 HydrophobicContact CG-CG 4.48Å; F27-L36 HydrophobicContact CE1-CD1 4.39Å; F27-L36 HydrophobicContact CE2-CD1 3.78Å; F27-L36 HydrophobicContact CZ-CD1 3.53Å; V32-L36 HydrophobicContact CG1-CD1 4.26Å; V32-L36 WeakPolarHBondContact O-CG 3.35Å; V32-L36 PolarHBondContact O-N 3.12Å; A33-L36 PolarHBondContact O-N 3.38Å; Q34-L36 PolarHBondContact O-N 3.43Å; L36-G38 PolarHBondContact O-N 2.88Å; L36-E39 PolarHBondContact O-N 2.82Å; L36-L41 HydrophobicContact CD2-CD1 4.3Å; L36-I50 HydrophobicContact CB-CD1 4.4Å; L36-I50 HydrophobicContact CB-CG2 4.48Å; L36-I50 WeakPolarHBondContact O-CB 3.33Å; L36-I50 VanDerWaalsContact O-CG2 3.25Å; L36-I50 WeakPolarHBondContact O-CG2 3.46Å; L36-L84 HydrophobicContact CB-CD1 3.69Å; L36-L84 HydrophobicContact CD1-CD1 4.39Å |
| 37 | C | 90.2 | Very high | 90.7 | Very high | 37 Ų | 37 | 68 Ų | 68 | 25% | 0.25 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 125.7 | -176.2 | -176 | 0 | 0 | 0 | 0 | 111 | A33 Q34 N52 L84 | A33-C37 WeakPolarHBondContact O-CB 3.17Å; A33-C37 PolarHBondContact O-N 3.08Å; A33-C37 VanDerWaalsContact O-N 3.12Å; Q34-C37 PolarHBondContact O-N 3.21Å; C37-N52 PolarHBondContact SG-N 3.46Å; C37-N52 PolarHBondContact SG-OD1 3.31Å; C37-L84 HydrophobicContact CB-CD2 4.01Å |
| 38 | G | 89.7 | Confident | 90.8 | Very high | 48 Ų | 48 | 67.8 Ų | 67.8 | 50% | 0.495 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 1.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L36 I50 | L36-G38 PolarHBondContact O-N 2.88Å; G38-I50 WeakPolarHBondContact CA-O 3.4Å; G38-I50 PolarHBondContact N-O 2.89Å |
| 39 | E | 92.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | trans | -92 | 146.3 | 178.1 | -66.1 | -69.9 | 121 | 0 | 0 | 111.9 | L36 L41 I50 | L36-E39 PolarHBondContact O-N 2.82Å; E39-L41 HydrophobicContact CB-CD2 4.42Å; E39-I50 WeakPolarHBondContact O-CB 3.37Å; E39-I50 PolarHBondContact O-N 2.99Å | ||
| 40 | D | 93.5 | Very high | 91.3 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120 | 167.8 | -71.2 | -74.3 | 0 | 0 | 0 | 109.6 | V48 H49 | D40-V48 CarbonylContact C-O 3.54Å; D40-V48 WeakPolarHBondContact CA-O 3.49Å; D40-H49 IonicContact OD1-CD2 3.6Å; D40-H49 PolarHBondContact OD1-CD2 2.79Å; D40-H49 IonicContact OD1-CG 3.39Å |
| 41 | L | 91.8 | Very high | 91.5 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 152.2 | -179.6 | -57.4 | -175.8 | 0 | 0 | 0 | 111.2 | F3 Y7 L36 E39 S47 V48 I50 | F3-L41 HydrophobicContact CE1-CD1 3.88Å; F3-L41 HydrophobicContact CZ-CD1 4.36Å; Y7-L41 HydrophobicContact CE2-CD1 4.25Å; L36-L41 HydrophobicContact CD2-CD1 4.3Å; E39-L41 HydrophobicContact CB-CD2 4.42Å; L41-S47 CarbonylContact O-C 3.42Å; L41-V48 HydrophobicContact CB-CG2 3.84Å; L41-V48 PolarHBondContact N-O 2.85Å; L41-V48 WeakPolarHBondContact O-CG2 3.38Å; L41-V48 PolarHBondContact O-N 3.02Å; L41-I50 HydrophobicContact CD1-CD1 3.47Å; L41-I50 VanDerWaalsContact CD1-CD1 3.47Å; L41-I50 HydrophobicContact CG-CD1 3.86Å |
| 42 | I | 92.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 62.5 Ų | 62.5 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.8 | 172.1 | -59.7 | 175.8 | 0 | 0 | 0 | 109.2 | I46 | I42-I46 CarbonylContact C-O 3.58Å; I42-I46 WeakPolarHBondContact CA-O 3.22Å |
| 43 | I | 89.8 | Confident | 91.2 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.1 | 178 | -53.7 | -177.9 | 0 | 0 | 0 | 108.5 | F3 F4 G45 I46 V48 | F3-I43 HydrophobicContact CB-CG2 4.22Å; F3-I43 HydrophobicContact CD1-CD1 3.39Å; F3-I43 HydrophobicContact CD1-CG1 3.66Å; F3-I43 HydrophobicContact CD1-CG2 4.42Å; F3-I43 HydrophobicContact CD2-CG1 4.23Å; F3-I43 HydrophobicContact CD2-CG2 4.08Å; F3-I43 HydrophobicContact CE1-CD1 3.59Å; F3-I43 HydrophobicContact CE1-CG1 3.51Å; F3-I43 HydrophobicContact CE2-CG1 4.1Å; F3-I43 HydrophobicContact CG-CD1 4.01Å; F3-I43 HydrophobicContact CG-CG1 4.03Å; F3-I43 HydrophobicContact CG-CG2 3.98Å; F3-I43 HydrophobicContact CZ-CD1 4.34Å; F3-I43 HydrophobicContact CZ-CG1 3.75Å; F4-I43 HydrophobicContact CE1-CD1 4.46Å; F4-I43 HydrophobicContact CE2-CD1 3.98Å; F4-I43 HydrophobicContact CZ-CD1 3.69Å; I43-G45 PolarHBondContact O-N 2.84Å; I43-I46 PolarHBondContact N-O 3.12Å; I43-I46 WeakPolarHBondContact O-CB 3.35Å; I43-I46 PolarHBondContact O-N 3.38Å; I43-V48 HydrophobicContact CD1-CG1 4.24Å; I43-V48 HydrophobicContact CD1-CG2 3.63Å; I43-V48 HydrophobicContact CG1-CG1 4.41Å; I43-V48 HydrophobicContact CG1-CG2 3.85Å |
| 44 | K | 88.9 | Confident | 90.6 | Very high | 208 Ų | 208 | 69 Ų | 69 | 90% | 0.904 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34.7 | 179.6 | -57.7 | -178.9 | 176.1 | -174.5 | 0 | 113.7 | ||
| 45 | G | 91 | Very high | 89.6 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 2.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | I43 | I43-G45 PolarHBondContact O-N 2.84Š|
| 46 | I | 91.3 | Very high | 88.2 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 43% | 0.431 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.5 | 174 | -55.9 | 172.4 | 0 | 0 | 0 | 108.7 | I42 I43 V48 L88 | I42-I46 CarbonylContact C-O 3.58Å; I42-I46 WeakPolarHBondContact CA-O 3.22Å; I43-I46 PolarHBondContact N-O 3.12Å; I43-I46 WeakPolarHBondContact O-CB 3.35Å; I43-I46 PolarHBondContact O-N 3.38Å; I46-V48 HydrophobicContact CG2-CG1 4.34Å; I46-L88 HydrophobicContact CG2-CD2 3.81Å |
| 47 | S | 93 | Very high | 86.5 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 51% | 0.51 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.7 | 171.7 | -163.5 | 0 | 0 | 0 | 0 | 109.1 | L41 | L41-S47 CarbonylContact O-C 3.42Å |
| 48 | V | 94.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 84.1 Ų | 84.1 | 1% | 0.006 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133 | 176 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | D40 L41 I43 I46 V86 V87 L88 | D40-V48 CarbonylContact C-O 3.54Å; D40-V48 WeakPolarHBondContact CA-O 3.49Å; L41-V48 HydrophobicContact CB-CG2 3.84Å; L41-V48 PolarHBondContact N-O 2.85Å; L41-V48 WeakPolarHBondContact O-CG2 3.38Å; L41-V48 PolarHBondContact O-N 3.02Å; I43-V48 HydrophobicContact CD1-CG1 4.24Å; I43-V48 HydrophobicContact CD1-CG2 3.63Å; I43-V48 HydrophobicContact CG1-CG1 4.41Å; I43-V48 HydrophobicContact CG1-CG2 3.85Å; I46-V48 HydrophobicContact CG2-CG1 4.34Å; V48-V86 HydrophobicContact CB-CG1 3.81Å; V48-V86 HydrophobicContact CG1-CG1 4.27Å; V48-V86 HydrophobicContact CG2-CG1 4.03Å; V48-V87 CarbonylContact C-O 3.44Å; V48-V87 WeakPolarHBondContact CA-O 3.48Å; V48-V87 WeakPolarHBondContact CB-O 3.46Å; V48-L88 HydrophobicContact CG1-CD2 3.74Å; V48-L88 HydrophobicContact CG1-CG 4.33Å |
| 49 | H | 95.2 | Very high | 82.4 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 38% | 0.384 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.8 | 175.7 | 177.2 | -89.8 | 0 | 0 | 0 | 109.9 | D40 V87 | D40-H49 IonicContact OD1-CD2 3.6Å; D40-H49 PolarHBondContact OD1-CD2 2.79Å; D40-H49 IonicContact OD1-CG 3.39Å; H49-V87 PolarHBondContact N-O 2.9Å; H49-V87 PolarHBondContact O-N 2.83Å |
| 50 | I | 93.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.4 | -176.4 | -54.8 | -178.8 | 0 | 0 | 0 | 110 | F4 L36 G38 E39 L41 L84 K85 V86 | F4-I50 HydrophobicContact CE1-CD1 4.06Å; L36-I50 HydrophobicContact CB-CD1 4.4Å; L36-I50 HydrophobicContact CB-CG2 4.48Å; L36-I50 WeakPolarHBondContact O-CB 3.33Å; L36-I50 VanDerWaalsContact O-CG2 3.25Å; L36-I50 WeakPolarHBondContact O-CG2 3.46Å; G38-I50 WeakPolarHBondContact CA-O 3.4Å; G38-I50 PolarHBondContact N-O 2.89Å; E39-I50 WeakPolarHBondContact O-CB 3.37Å; E39-I50 PolarHBondContact O-N 2.99Å; L41-I50 HydrophobicContact CD1-CD1 3.47Å; L41-I50 VanDerWaalsContact CD1-CD1 3.47Å; L41-I50 HydrophobicContact CG-CD1 3.86Å; I50-L84 HydrophobicContact CG2-CB 3.87Å; I50-L84 HydrophobicContact CG2-CD1 3.55Å; I50-L84 HydrophobicContact CG2-CD2 4.39Å; I50-L84 HydrophobicContact CG2-CG 4.15Å; I50-K85 WeakPolarHBondContact CA-O 3.45Å; I50-V86 HydrophobicContact CG1-CG2 4.46Å |
| 51 | S | 91.9 | Very high | 78.3 | Confident | 34 Ų | 34 | 93.6 Ų | 93.6 | 24% | 0.238 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 168.8 | 175.4 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | A53 L84 K85 | S51-A53 PolarHBondContact O-N 2.79Å; S51-L84 CarbonylContact O-C 3.57Å; S51-L84 WeakPolarHBondContact O-CA 3.26Å; S51-K85 PolarHBondContact N-O 3.19Å; S51-K85 PolarHBondContact O-N 3.36Å |
| 52 | N | 89.2 | Confident | 76.3 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 141.2 | 167.9 | -64.2 | 101.2 | 0 | 0 | 0 | 110.5 | C37 E54 | C37-N52 PolarHBondContact SG-N 3.46Å; C37-N52 PolarHBondContact SG-OD1 3.31Å; N52-E54 PolarHBondContact O-N 3.5Å |
| 53 | A | 84.8 | Confident | 74 | Confident | 9 Ų | 9 | 101.7 Ų | 101.7 | 7% | 0.074 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 124.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F24 S51 S83 | F24-A53 HydrophobicContact CD1-CB 3.73Å; F24-A53 HydrophobicContact CE1-CB 4.04Å; S51-A53 PolarHBondContact O-N 2.79Å; A53-S83 WeakPolarHBondContact CB-O 3.47Å; A53-S83 PolarHBondContact N-O 2.87Å |
| 54 | E | 79.4 | Confident | 71.8 | Confident | 155 Ų | 155 | 106.9 Ų | 106.9 | 72% | 0.724 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 136.7 | 174.4 | -66.5 | -179.8 | 151.5 | 0 | 0 | 110.7 | N52 K56 | N52-E54 PolarHBondContact O-N 3.5Å; E54-K56 PolarHBondContact O-N 3.5Å |
| 55 | P | 67.6 | Low | 70 | Confident | 71 Ų | 71 | 107.2 Ų | 107.2 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -55 | 125.8 | 166.5 | -18 | 26.9 | 0 | 0 | 0 | 110.4 | H57 I74 | P55-H57 PolarHBondContact O-N 2.88Å; P55-I74 HydrophobicContact CB-CD1 3.43Å; P55-I74 VanDerWaalsContact CB-CD1 3.43Å; P55-I74 HydrophobicContact CB-CG1 4.35Å; P55-I74 HydrophobicContact CG-CD1 3.57Å; P55-I74 HydrophobicContact CG-CG1 4.09Å |
| 56 | K | 62.2 | Low | 67.8 | Low | 163 Ų | 163 | 110.1 Ų | 110.1 | 71% | 0.709 | 56% | 0.555 | S | S | * | * | trans | -67.3 | 104.1 | 161.5 | -77.7 | -175.8 | 177.3 | 178.1 | 0 | 107.5 | E54 N58 | E54-K56 PolarHBondContact O-N 3.5Å; K56-N58 PolarHBondContact O-N 2.85Å | ||
| 57 | H | 54.7 | Low | 65.3 | Low | 164 Ų | 164 | 109 Ų | 109 | 76% | 0.759 | 56% | 0.564 | S | S | * | * | trans | -62 | 106.3 | 165 | -162.2 | 74.7 | 0 | 0 | 0 | 106.6 | P55 S59 | P55-H57 PolarHBondContact O-N 2.88Å; H57-S59 VanDerWaalsContact C-N 3.26Å; H57-S59 PolarHBondContact O-N 2.88Å; H57-S59 PolarHBondContact O-OG 3.06Å | ||
| 58 | N | 48.2 | Very low | 63.2 | Low | 142 Ų | 142 | 116.9 Ų | 116.9 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | trans | -73.6 | 90.3 | 175.9 | -160.4 | 16.6 | 0 | 0 | 0 | 106.6 | K56 N60 | K56-N58 PolarHBondContact O-N 2.85Å; N58-N60 PolarHBondContact O-N 2.76Å | ||
| 59 | S | 46 | Very low | 60.7 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | trans | -73.3 | 57.7 | 177 | -47.2 | 0 | 0 | 0 | 0 | 110.6 | H57 | H57-S59 VanDerWaalsContact C-N 3.26Å; H57-S59 PolarHBondContact O-N 2.88Å; H57-S59 PolarHBondContact O-OG 3.06Å | ||
| 60 | N | 44.6 | Very low | 58.2 | Low | 134 Ų | 134 | 126.1 Ų | 126.1 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | trans | -121.7 | 118.6 | 162.4 | -136.2 | 7.9 | 0 | 0 | 0 | 107.7 | N58 | N58-N60 PolarHBondContact O-N 2.76Š| ||
| 61 | R | 54 | Low | 56 | Low | 219 Ų | 219 | 132.4 Ų | 132.4 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | trans | -43.4 | 143.8 | -164.2 | -74.2 | 175.6 | -96.8 | -175.2 | -7.3 | 115.6 | ||||
| 62 | Q | 51.2 | Low | 53.7 | Low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | 60.7 | 98.1 | 132.9 | -170.6 | -174.7 | 6.9 | 0 | 0 | 117.1 | ||||
| 63 | L | 43 | Very low | 51.7 | Low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | -173.3 | 125.7 | 127.4 | -135.2 | 48.7 | 0 | 0 | 0 | 111.5 | |||||
| 64 | E | 43.1 | Very low | 50.2 | Low | 138 Ų | 138 | 142.6 Ų | 142.6 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | trans | 53 | 110 | 136.5 | -59.4 | -76.1 | 98.2 | 0 | 0 | 117.6 | ||||
| 65 | R | 51.3 | Low | 48.8 | Very low | 215 Ų | 215 | 138 Ų | 138 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | 44.8 | 110.8 | 95.3 | -75.3 | 179.3 | 165.7 | 170.7 | -3.3 | 112.1 | |||||
| 66 | S | 46.2 | Very low | 47.7 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | 96.3 | 119.8 | 169.5 | 73 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 67 | G | 37.2 | Very low | 46.8 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | trans | 87 | 80.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F69 | G67-F69 PolarHBondContact O-N 2.85Š| ||
| 68 | R | 49.3 | Very low | 46.1 | Very low | 240 Ų | 240 | 137.8 Ų | 137.8 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | 47.2 | 20.4 | 89 | -73.1 | -160.8 | -179.8 | -172.7 | 1.6 | 118.3 | |||||
| 69 | F | 43.2 | Very low | 46.2 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 88% | 0.882 | 71% | 0.707 | S | S | * | * | trans | -146.7 | 114.5 | 169.8 | -69 | -82.7 | 0 | 0 | 0 | 112.7 | G67 | G67-F69 PolarHBondContact O-N 2.85Š| ||
| 70 | G | 42.3 | Very low | 47 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 137.4 | -16.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 71 | V | 45.8 | Very low | 48.5 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 80% | 0.8 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -141.4 | 5.2 | -177.6 | -66.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 72 | H | 44.2 | Very low | 50.2 | Low | 129 Ų | 129 | 119.7 Ų | 119.7 | 60% | 0.597 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 3.3 | -172.4 | -160.4 | 72.6 | 0 | 0 | 0 | 114.8 | ||
| 73 | L | 47.6 | Very low | 52 | Low | 159 Ų | 159 | 112 Ų | 112 | 83% | 0.832 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -4.5 | -177.7 | -65.5 | -176.2 | 0 | 0 | 0 | 115 | ||
| 74 | I | 52.5 | Low | 54.3 | Low | 47 Ų | 47 | 105 Ų | 105 | 24% | 0.241 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -99.8 | -0.6 | 175.8 | 56.6 | 177.4 | 0 | 0 | 0 | 113.3 | P55 S81 | P55-I74 HydrophobicContact CB-CD1 3.43Å; P55-I74 VanDerWaalsContact CB-CD1 3.43Å; P55-I74 HydrophobicContact CB-CG1 4.35Å; P55-I74 HydrophobicContact CG-CD1 3.57Å; P55-I74 HydrophobicContact CG-CG1 4.09Å; I74-S81 WeakPolarHBondContact O-CB 3.41Å; I74-S81 PolarHBondContact O-OG 3.39Å |
| 75 | S | 50.9 | Low | 56.7 | Low | 59 Ų | 59 | 101.4 Ų | 101.4 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | trans | -142.7 | 75.8 | 177 | -53.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 76 | N | 43.3 | Very low | 58.6 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 145.4 | 163.5 | -152.7 | 30 | 0 | 0 | 0 | 107.8 | Y78 G79 | N76-Y78 PolarHBondContact O-N 2.94Å; N76-G79 PolarHBondContact O-N 2.77Å; N76-G79 VanDerWaalsContact O-N 3.12Å |
| 77 | V | 44.1 | Very low | 60.9 | Low | 112 Ų | 112 | 87.7 Ų | 87.7 | 68% | 0.679 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 16.3 | -167.6 | 168.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 78 | Y | 40.1 | Very low | 63.4 | Low | 180 Ų | 180 | 89.8 Ų | 89.8 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.6 | 9.9 | -179.5 | -64.7 | -83.5 | 0 | 0 | 0 | 114.6 | N76 R80 | N76-Y78 PolarHBondContact O-N 2.94Å; Y78-R80 PolarHBondContact O-N 3.25Å |
| 79 | G | 51.3 | Low | 64.1 | Low | 65 Ų | 65 | 82.3 Ų | 82.3 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 15 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | N76 | N76-G79 PolarHBondContact O-N 2.77Å; N76-G79 VanDerWaalsContact O-N 3.12Å |
| 80 | R | 61.9 | Low | 65.2 | Low | 109 Ų | 109 | 76.1 Ų | 76.1 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -97.2 | 88.9 | -179.8 | -72.7 | 179.9 | 148.9 | 160.3 | 1.4 | 109.9 | D30 Y78 | D30-R80 HydrophobicContact CB-CB 4.39Å; D30-R80 WeakPolarHBondContact OD2-CD 3.48Å; D30-R80 IonicContact OD2-NE 3.84Å; Y78-R80 PolarHBondContact O-N 3.25Å |
| 81 | S | 77 | Confident | 66.5 | Low | 10 Ų | 10 | 76 Ų | 76 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | trans | -82.9 | 130.1 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | I74 S83 | I74-S81 WeakPolarHBondContact O-CB 3.41Å; I74-S81 PolarHBondContact O-OG 3.39Å; S81-S83 PolarHBondContact OG-N 2.83Å; S81-S83 PolarHBondContact OG-O 2.99Å; S81-S83 VanDerWaalsContact OG-O 3.12Å | ||
| 82 | T | 88.1 | Confident | 67.7 | Low | 32 Ų | 32 | 72.7 Ų | 72.7 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -80.2 | -10 | 170.2 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | F27 D30 | F27-T82 PolarHBondContact N-O 2.91Å; F27-T82 WeakPolarHBondContact O-CB 3.5Å; D30-T82 HydrophobicContact CB-CG2 3.78Å |
| 83 | S | 89.6 | Confident | 69.1 | Low | 10 Ų | 10 | 69.2 Ų | 69.2 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.3 | 178.9 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | V25 T26 A53 S81 | V25-S83 CarbonylContact O-C 3.58Å; V25-S83 WeakPolarHBondContact O-CA 3.12Å; T26-S83 PolarHBondContact OG1-OG 3.34Å; A53-S83 WeakPolarHBondContact CB-O 3.47Å; A53-S83 PolarHBondContact N-O 2.87Å; S81-S83 PolarHBondContact OG-N 2.83Å; S81-S83 PolarHBondContact OG-O 2.99Å; S81-S83 VanDerWaalsContact OG-O 3.12Å |
| 84 | L | 91.5 | Very high | 70.6 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.4 | 176.4 | -59.3 | 179.5 | 0 | 0 | 0 | 110.5 | F24 V25 F27 A33 L36 C37 I50 S51 | F24-L84 CarbonylContact C-O 3.47Å; F24-L84 WeakPolarHBondContact CA-O 3.09Å; V25-L84 PolarHBondContact N-O 3.22Å; V25-L84 PolarHBondContact O-N 2.97Å; F27-L84 HydrophobicContact CD2-CD1 4.38Å; F27-L84 HydrophobicContact CE2-CD1 4Å; A33-L84 HydrophobicContact CB-CD1 4.34Å; A33-L84 HydrophobicContact CB-CD2 4.25Å; A33-L84 HydrophobicContact CB-CG 4.17Å; A33-L84 WeakPolarHBondContact O-CD1 3.48Å; A33-L84 WeakPolarHBondContact O-CD2 3.43Å; L36-L84 HydrophobicContact CB-CD1 3.69Å; L36-L84 HydrophobicContact CD1-CD1 4.39Å; C37-L84 HydrophobicContact CB-CD2 4.01Å; I50-L84 HydrophobicContact CG2-CB 3.87Å; I50-L84 HydrophobicContact CG2-CD1 3.55Å; I50-L84 HydrophobicContact CG2-CD2 4.39Å; I50-L84 HydrophobicContact CG2-CG 4.15Å; S51-L84 CarbonylContact O-C 3.57Å; S51-L84 WeakPolarHBondContact O-CA 3.26Å |
| 85 | K | 92.3 | Very high | 71.9 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.1 | 168 | -178.4 | -174.7 | 178 | -172.2 | 0 | 108 | F22 A23 F24 I50 S51 V87 | F22-K85 HydrophobicContact CB-CG 4.41Å; F22-K85 HydrophobicContact CD2-CG 4.21Å; A23-K85 WeakPolarHBondContact O-CA 3.4Å; F24-K85 HydrophobicContact CD1-CB 4.01Å; F24-K85 HydrophobicContact CD1-CG 4.37Å; F24-K85 HydrophobicContact CE1-CB 3.93Å; F24-K85 HydrophobicContact CE1-CD 4.38Å; F24-K85 HydrophobicContact CE1-CG 4.02Å; I50-K85 WeakPolarHBondContact CA-O 3.45Å; S51-K85 PolarHBondContact N-O 3.19Å; S51-K85 PolarHBondContact O-N 3.36Å; K85-V87 HydrophobicContact CD-CG2 4.32Å; K85-V87 HydrophobicContact CG-CG2 4.21Å |
| 86 | V | 93.1 | Very high | 73.5 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.6 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | F4 F22 A23 V25 V48 I50 | F4-V86 HydrophobicContact CE1-CG2 4.38Å; F4-V86 HydrophobicContact CE2-CG2 4.3Å; F4-V86 HydrophobicContact CZ-CG1 4.04Å; F4-V86 HydrophobicContact CZ-CG2 3.75Å; F22-V86 CarbonylContact C-O 3.6Å; F22-V86 WeakPolarHBondContact CA-O 3.14Å; F22-V86 VanDerWaalsContact CB-O 3.26Å; F22-V86 WeakPolarHBondContact CB-O 3.41Å; A23-V86 PolarHBondContact N-O 2.91Å; A23-V86 PolarHBondContact O-N 2.82Å; V25-V86 HydrophobicContact CG2-CG2 3.9Å; V48-V86 HydrophobicContact CB-CG1 3.81Å; V48-V86 HydrophobicContact CG1-CG1 4.27Å; V48-V86 HydrophobicContact CG2-CG1 4.03Å; I50-V86 HydrophobicContact CG1-CG2 4.46Å |
| 87 | V | 93.6 | Very high | 76 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 30% | 0.297 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.8 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | F22 V48 H49 K85 | F22-V87 HydrophobicContact CB-CG2 4.11Å; V48-V87 CarbonylContact C-O 3.44Å; V48-V87 WeakPolarHBondContact CA-O 3.48Å; V48-V87 WeakPolarHBondContact CB-O 3.46Å; H49-V87 PolarHBondContact N-O 2.9Å; H49-V87 PolarHBondContact O-N 2.83Å; K85-V87 HydrophobicContact CD-CG2 4.32Å; K85-V87 HydrophobicContact CG-CG2 4.21Å |
| 88 | L | 89.2 | Confident | 78.9 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | trans | -92.2 | 0 | 177.6 | -69.1 | 148.5 | 0 | 0 | 0 | 111.6 | F19 A21 I46 V48 | F19-L88 HydrophobicContact CE2-CD1 3.99Å; F19-L88 HydrophobicContact CZ-CD1 3.51Å; A21-L88 PolarHBondContact O-N 3.48Å; I46-L88 HydrophobicContact CG2-CD2 3.81Å; V48-L88 HydrophobicContact CG1-CD2 3.74Å; V48-L88 HydrophobicContact CG1-CG 4.33Å |
Retrieved 88 of 88 residues in 112.4 ms
(Link to these results)