| 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 | G | 87.7 | Confident | 94.6 | Very high | 80 Ų | 80 | 72.8 Ų | 72.8 | 83% | 0.825 | 41% | 0.413 | S | S | * | . | 0 | 157.8 | 0 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 2 | H | 93.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 66.9 Ų | 66.9 | 19% | 0.185 | 38% | 0.38 | C | S | . | . | trans | -64.2 | 147.7 | 174.3 | -78.4 | -77.2 | 0 | 0 | 0 | 111.6 | I6 S20 S22 E26 L28 W30 | H2-I6 HydrophobicContact CB-CD1 3.95Å; H2-I6 WeakPolarHBondContact CD2-CD1 3.43Å; H2-S20 PolarHBondContact NE2-OG 2.56Å; H2-S22 WeakPolarHBondContact ND1-CB 3.24Å; H2-E26 WeakPolarHBondContact CA-OE2 3.34Å; H2-E26 IonicContact ND1-OE2 3.75Å; H2-L28 HydrophobicContact CB-CD1 4.48Å; H2-L28 VanDerWaalsContact CE1-CG 3.46Å; H2-L28 WeakPolarHBondContact CE1-CG 3.4Å; H2-W30 AromaticContact CD2-CZ2 3.95Å | ||
| 3 | S | 94.3 | Very high | 94.6 | Very high | 97 Ų | 97 | 68.2 Ų | 68.2 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -90.4 | -9.6 | 177.4 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | D24 E26 | S3-D24 WeakPolarHBondContact CB-OD2 3.41Å; S3-E26 PolarHBondContact N-OE2 3.33Å; S3-E26 PolarHBondContact OG-OE2 3.19Å |
| 4 | S | 96 | Very high | 94.6 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -136.7 | -175.9 | 177.2 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | D24 | S4-D24 VanDerWaalsContact CB-OD1 3.28Å; S4-D24 WeakPolarHBondContact CB-OD1 3.14Å |
| 5 | F | 95.4 | Very high | 94.7 | Very high | 145 Ų | 145 | 70.7 Ų | 70.7 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | trans | -70.1 | 147.5 | 177.5 | 61.2 | -89.8 | 0 | 0 | 0 | 111.9 | T7 S22 G23 | F5-T7 HydrophobicContact CD2-CG2 4.07Å; F5-T7 HydrophobicContact CE2-CG2 3.72Å; F5-S22 CarbonylContact O-C 3.56Å; F5-S22 WeakPolarHBondContact O-CA 3.46Å; F5-S22 WeakPolarHBondContact O-CB 3.21Å; F5-G23 PolarHBondContact O-N 2.58Å | ||
| 6 | I | 95.9 | Very high | 94.7 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.8 | 178.9 | -50.1 | -59.7 | 0 | 0 | 0 | 109.8 | H2 H8 N21 | H2-I6 HydrophobicContact CB-CD1 3.95Å; H2-I6 WeakPolarHBondContact CD2-CD1 3.43Å; I6-H8 WeakPolarHBondContact CG2-O 3.35Å; I6-N21 WeakPolarHBondContact CA-O 3.26Å; I6-N21 WeakPolarHBondContact CG2-O 3.47Å |
| 7 | T | 95.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 36% | 0.362 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -39.9 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | F5 N21 | F5-T7 HydrophobicContact CD2-CG2 4.07Å; F5-T7 HydrophobicContact CE2-CG2 3.72Å; T7-N21 PolarHBondContact N-O 3Å; T7-N21 PolarHBondContact OG1-O 2.77Å; T7-N21 VanDerWaalsContact OG1-O 3.1Å |
| 8 | H | 95 | Very high | 94.8 | Very high | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.8 | -177.3 | -61.3 | -80.3 | 0 | 0 | 0 | 111.5 | I6 S20 N21 T53 C54 | I6-H8 WeakPolarHBondContact CG2-O 3.35Å; H8-S20 WeakPolarHBondContact O-CA 3.29Å; H8-N21 HydrophobicContact CB-CB 4.28Å; H8-N21 PolarHBondContact N-O 2.93Å; H8-N21 PolarHBondContact O-N 3.44Å; H8-T53 PolarHBondContact ND1-O 3.43Å; H8-T53 VanDerWaalsContact ND1-O 3.12Å; H8-C54 HydrophobicContact CB-CB 4.43Å |
| 9 | L | 95.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 130.3 | 180 | -173.8 | 153.3 | 0 | 0 | 0 | 110 | L18 V19 T53 | L9-L18 HydrophobicContact CD1-CD1 4.01Å; L9-L18 HydrophobicContact CD1-CD2 3.81Å; L9-L18 HydrophobicContact CD1-CG 4.23Å; L9-L18 HydrophobicContact CD2-CD1 3.85Å; L9-L18 HydrophobicContact CD2-CD2 4.28Å; L9-L18 HydrophobicContact CD2-CG 3.89Å; L9-L18 HydrophobicContact CG-CD1 4.1Å; L9-L18 HydrophobicContact CG-CD2 3.71Å; L9-L18 HydrophobicContact CG-CG 3.9Å; L9-V19 WeakPolarHBondContact CA-O 3.29Å; L9-T53 PolarHBondContact O-OG1 2.49Å |
| 10 | D | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.5 | 173.1 | -63.1 | -57.9 | 0 | 0 | 0 | 111.3 | L18 V19 W49 T51 T53 C54 | D10-L18 WeakPolarHBondContact O-CA 3.2Å; D10-V19 HydrophobicContact CB-CG1 3.78Å; D10-V19 PolarHBondContact N-O 2.7Å; D10-V19 PolarHBondContact O-N 3.29Å; D10-W49 HydrophobicContact CB-CE3 4.46Å; D10-T51 VanDerWaalsContact CB-O 3.29Å; D10-T51 WeakPolarHBondContact CB-O 3.46Å; D10-T51 VanDerWaalsContact OD1-C 3.23Å; D10-T51 WeakPolarHBondContact OD1-CB 3.26Å; D10-T51 PolarHBondContact OD1-OG1 3.34Å; D10-T53 VanDerWaalsContact CG-N 3.31Å; D10-T53 WeakPolarHBondContact OD1-CB 3.46Å; D10-T53 PolarHBondContact OD1-N 3.11Å; D10-T53 PolarHBondContact OD1-OG1 3.44Å; D10-T53 PolarHBondContact OD2-N 3.17Å; D10-T53 PolarHBondContact OD2-OG1 3.4Å; D10-C54 VanDerWaalsContact OD2-CB 3.31Å; D10-C54 WeakPolarHBondContact OD2-CB 3.31Å; D10-C54 PolarHBondContact OD2-N 3.47Å; D10-C54 PolarHBondContact OD2-SG 3.27Å |
| 11 | W | 95.4 | Very high | 95 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 149.6 | 173.3 | -75.4 | 88.4 | 0 | 0 | 0 | 110.7 | L18 P32 A50 | W11-L18 HydrophobicContact CD2-CD1 4.11Å; W11-L18 HydrophobicContact CE3-CD1 4.43Å; W11-L18 HydrophobicContact CH2-CD1 4Å; W11-L18 HydrophobicContact CZ2-CD1 3.6Å; W11-L18 HydrophobicContact CZ3-CD1 4.41Å; W11-P32 HydrophobicContact CE3-CG 4.46Å; W11-P32 HydrophobicContact CH2-CB 3.77Å; W11-P32 HydrophobicContact CH2-CG 3.72Å; W11-P32 HydrophobicContact CZ3-CB 4Å; W11-P32 HydrophobicContact CZ3-CG 3.58Å; W11-A50 WeakPolarHBondContact O-CB 3.28Å; W11-A50 PolarHBondContact O-N 3.48Å |
| 12 | S | 94.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 154 | 166.3 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | N14 S15 Q16 F17 E48 | S12-N14 WeakPolarHBondContact CB-OD1 3.19Å; S12-N14 PolarHBondContact O-N 2.91Å; S12-N14 PolarHBondContact OG-OD1 3.12Å; S12-S15 PolarHBondContact O-N 3.19Å; S12-S15 PolarHBondContact OG-N 3.2Å; S12-Q16 PolarHBondContact OG-N 3.35Å; S12-F17 PolarHBondContact N-O 3.44Å; S12-F17 PolarHBondContact OG-N 2.72Å; S12-F17 PolarHBondContact OG-O 2.88Å; S12-E48 WeakPolarHBondContact CA-O 3.37Å |
| 13 | V | 94.8 | Very high | 95.4 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | S15 E48 A50 | V13-S15 VanDerWaalsContact C-N 3.29Å; V13-S15 PolarHBondContact O-N 3.44Å; V13-E48 HydrophobicContact CG2-CB 4.31Å; V13-E48 HydrophobicContact CG2-CG 3.84Å; V13-E48 PolarHBondContact N-O 3.43Å; V13-A50 HydrophobicContact CG2-CB 4.37Å |
| 14 | N | 94 | Very high | 95.4 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.1 | 178 | 69.5 | 1.6 | 0 | 0 | 0 | 114.3 | S12 Q16 | S12-N14 WeakPolarHBondContact CB-OD1 3.19Å; S12-N14 PolarHBondContact O-N 2.91Å; S12-N14 PolarHBondContact OG-OD1 3.12Å; N14-Q16 HydrophobicContact CB-CG 4.42Å; N14-Q16 PolarHBondContact ND2-OE1 3.03Å; N14-Q16 PolarHBondContact O-N 3.1Å; N14-Q16 VanDerWaalsContact O-N 3.1Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.35Å; N14-Q16 PolarHBondContact OD1-N 3.38Å; N14-Q16 VanDerWaalsContact OD1-N 3.1Å |
| 15 | S | 95.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 58.3 | 16.4 | -178.4 | -54 | 0 | 0 | 0 | 0 | 115.7 | S12 V13 | S12-S15 PolarHBondContact O-N 3.19Å; S12-S15 PolarHBondContact OG-N 3.2Å; V13-S15 VanDerWaalsContact C-N 3.29Å; V13-S15 PolarHBondContact O-N 3.44Å |
| 16 | Q | 95.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 55.2 Ų | 55.2 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -90 | -23.9 | 179.8 | -64.6 | -171 | -13.1 | 0 | 0 | 113.3 | S12 N14 P32 | S12-Q16 PolarHBondContact OG-N 3.35Å; N14-Q16 HydrophobicContact CB-CG 4.42Å; N14-Q16 PolarHBondContact ND2-OE1 3.03Å; N14-Q16 PolarHBondContact O-N 3.1Å; N14-Q16 VanDerWaalsContact O-N 3.1Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.35Å; N14-Q16 PolarHBondContact OD1-N 3.38Å; N14-Q16 VanDerWaalsContact OD1-N 3.1Å; Q16-P32 VanDerWaalsContact O-CD 3.26Å; Q16-P32 WeakPolarHBondContact O-CD 3.32Å |
| 17 | F | 95.8 | Very high | 95 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -128.6 | 155.5 | -174.2 | -58.8 | -81.9 | 0 | 0 | 0 | 111.6 | S12 W30 V31 V38 T43 I47 W49 | S12-F17 PolarHBondContact N-O 3.44Å; S12-F17 PolarHBondContact OG-N 2.72Å; S12-F17 PolarHBondContact OG-O 2.88Å; F17-W30 VanDerWaalsContact CA-O 3.29Å; F17-W30 WeakPolarHBondContact CA-O 3.38Å; F17-V31 HydrophobicContact CD1-CG2 4.02Å; F17-V31 HydrophobicContact CE1-CG2 3.79Å; F17-V38 HydrophobicContact CD1-CG2 4.33Å; F17-V38 HydrophobicContact CE1-CG2 4.33Å; F17-T43 HydrophobicContact CE1-CG2 4.2Å; F17-T43 HydrophobicContact CZ-CG2 4.27Å; F17-I47 HydrophobicContact CB-CD1 3.88Å; F17-I47 HydrophobicContact CB-CG2 4.43Å; F17-I47 HydrophobicContact CD1-CD1 4.01Å; F17-I47 HydrophobicContact CD2-CD1 3.96Å; F17-I47 HydrophobicContact CD2-CG1 4.44Å; F17-I47 HydrophobicContact CG-CD1 3.68Å; F17-W49 HydrophobicContact CB-CH2 4.3Å; F17-W49 HydrophobicContact CB-CZ3 4.29Å | ||
| 18 | L | 95.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136 | 177.2 | -172.9 | 155 | 0 | 0 | 0 | 108.6 | L9 D10 W11 Y29 W30 P32 | L9-L18 HydrophobicContact CD1-CD1 4.01Å; L9-L18 HydrophobicContact CD1-CD2 3.81Å; L9-L18 HydrophobicContact CD1-CG 4.23Å; L9-L18 HydrophobicContact CD2-CD1 3.85Å; L9-L18 HydrophobicContact CD2-CD2 4.28Å; L9-L18 HydrophobicContact CD2-CG 3.89Å; L9-L18 HydrophobicContact CG-CD1 4.1Å; L9-L18 HydrophobicContact CG-CD2 3.71Å; L9-L18 HydrophobicContact CG-CG 3.9Å; D10-L18 WeakPolarHBondContact O-CA 3.2Å; W11-L18 HydrophobicContact CD2-CD1 4.11Å; W11-L18 HydrophobicContact CE3-CD1 4.43Å; W11-L18 HydrophobicContact CH2-CD1 4Å; W11-L18 HydrophobicContact CZ2-CD1 3.6Å; W11-L18 HydrophobicContact CZ3-CD1 4.41Å; L18-Y29 CarbonylContact O-C 3.56Å; L18-Y29 VanDerWaalsContact O-CA 3.32Å; L18-Y29 WeakPolarHBondContact O-CA 3.35Å; L18-W30 HydrophobicContact CB-CB 4.32Å; L18-W30 HydrophobicContact CD2-CG 4.36Å; L18-W30 PolarHBondContact N-O 3.1Å; L18-W30 VanDerWaalsContact N-O 3.08Å; L18-W30 PolarHBondContact O-N 3.47Å; L18-P32 HydrophobicContact CB-CG 3.69Å; L18-P32 HydrophobicContact CD1-CG 4.09Å |
| 19 | V | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146 | 169.5 | 61.4 | 0 | 0 | 0 | 0 | 109 | L9 D10 I27 L28 Y29 W49 | L9-V19 WeakPolarHBondContact CA-O 3.29Å; D10-V19 HydrophobicContact CB-CG1 3.78Å; D10-V19 PolarHBondContact N-O 2.7Å; D10-V19 PolarHBondContact O-N 3.29Å; V19-I27 HydrophobicContact CG2-CG2 3.93Å; V19-L28 WeakPolarHBondContact CA-O 3.37Å; V19-Y29 HydrophobicContact CB-CD1 3.88Å; V19-Y29 HydrophobicContact CB-CE1 3.9Å; V19-Y29 HydrophobicContact CG2-CD1 3.87Å; V19-Y29 HydrophobicContact CG2-CE1 3.57Å; V19-W49 HydrophobicContact CB-CE3 4.37Å; V19-W49 HydrophobicContact CB-CH2 3.61Å; V19-W49 HydrophobicContact CB-CZ2 3.94Å; V19-W49 HydrophobicContact CB-CZ3 3.84Å; V19-W49 HydrophobicContact CG1-CD2 3.9Å; V19-W49 HydrophobicContact CG1-CE3 3.67Å; V19-W49 HydrophobicContact CG1-CH2 3.83Å; V19-W49 HydrophobicContact CG1-CZ2 4.01Å; V19-W49 HydrophobicContact CG1-CZ3 3.64Å |
| 20 | S | 96 | Very high | 95 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139.1 | -178.3 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | H2 H8 L28 W30 | H2-S20 PolarHBondContact NE2-OG 2.56Å; H8-S20 WeakPolarHBondContact O-CA 3.29Å; S20-L28 PolarHBondContact N-O 2.97Å; S20-L28 PolarHBondContact O-N 3.17Å; S20-L28 VanDerWaalsContact O-N 3.08Å; S20-L28 PolarHBondContact OG-O 3.11Å; S20-L28 VanDerWaalsContact OG-O 3.07Å; S20-W30 PolarHBondContact OG-NE1 2.76Å |
| 21 | N | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.6 | 170.2 | -62.7 | 160.5 | 0 | 0 | 0 | 109.8 | I6 T7 H8 E26 C54 T55 L56 | I6-N21 WeakPolarHBondContact CA-O 3.26Å; I6-N21 WeakPolarHBondContact CG2-O 3.47Å; T7-N21 PolarHBondContact N-O 3Å; T7-N21 PolarHBondContact OG1-O 2.77Å; T7-N21 VanDerWaalsContact OG1-O 3.1Å; H8-N21 HydrophobicContact CB-CB 4.28Å; H8-N21 PolarHBondContact N-O 2.93Å; H8-N21 PolarHBondContact O-N 3.44Å; N21-E26 WeakPolarHBondContact CA-O 3.43Å; N21-C54 VanDerWaalsContact OD1-CA 3.28Å; N21-C54 WeakPolarHBondContact OD1-CA 3.37Å; N21-C54 VanDerWaalsContact OD1-CB 3.24Å; N21-C54 WeakPolarHBondContact OD1-CB 3.45Å; N21-T55 PolarHBondContact OD1-N 3.32Å; N21-T55 VanDerWaalsContact OD1-N 3.17Å; N21-L56 PolarHBondContact ND2-O 2.98Å; N21-L56 PolarHBondContact OD1-N 2.82Å; N21-L56 PolarHBondContact OD1-O 2.9Å |
| 22 | S | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 167.7 | 175.6 | 59 | 0 | 0 | 0 | 0 | 112.6 | H2 F5 D24 Y25 E26 | H2-S22 WeakPolarHBondContact ND1-CB 3.24Å; F5-S22 CarbonylContact O-C 3.56Å; F5-S22 WeakPolarHBondContact O-CA 3.46Å; F5-S22 WeakPolarHBondContact O-CB 3.21Å; S22-D24 WeakPolarHBondContact CB-OD1 3.28Å; S22-D24 PolarHBondContact O-N 3.45Å; S22-D24 PolarHBondContact OG-OD1 3.1Å; S22-Y25 PolarHBondContact O-N 2.94Å; S22-Y25 VanDerWaalsContact O-N 3.11Å; S22-E26 PolarHBondContact N-O 3.29Å; S22-E26 WeakPolarHBondContact OG-CA 3.47Å; S22-E26 VanDerWaalsContact OG-CB 3.26Å; S22-E26 WeakPolarHBondContact OG-CB 3.06Å; S22-E26 PolarHBondContact OG-N 3.15Å; S22-E26 PolarHBondContact OG-O 3.18Å |
| 23 | G | 94.6 | Very high | 95.1 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F5 | F5-G23 PolarHBondContact O-N 2.58Š|
| 24 | D | 94.3 | Very high | 95.1 | Very high | 62 Ų | 62 | 51.2 Ų | 51.2 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 17.1 | 171.3 | 62 | -16.6 | 0 | 0 | 0 | 112.8 | S3 S4 S22 E26 | S3-D24 WeakPolarHBondContact CB-OD2 3.41Å; S4-D24 VanDerWaalsContact CB-OD1 3.28Å; S4-D24 WeakPolarHBondContact CB-OD1 3.14Å; S22-D24 WeakPolarHBondContact CB-OD1 3.28Å; S22-D24 PolarHBondContact O-N 3.45Å; S22-D24 PolarHBondContact OG-OD1 3.1Å; D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.22Å |
| 25 | Y | 91.8 | Very high | 95.1 | Very high | 184 Ų | 184 | 52.5 Ų | 52.5 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | trans | 68.9 | 22 | 173.4 | -48.1 | -86.7 | 0 | 0 | 0 | 115 | S22 L56 | S22-Y25 PolarHBondContact O-N 2.94Å; S22-Y25 VanDerWaalsContact O-N 3.11Å; Y25-L56 HydrophobicContact CD1-CD1 3.91Å; Y25-L56 HydrophobicContact CG-CD1 4.48Å | ||
| 26 | E | 92.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | trans | -76 | 142.7 | 170.3 | -56.1 | -171.7 | 113.4 | 0 | 0 | 111 | H2 S3 N21 S22 D24 | H2-E26 WeakPolarHBondContact CA-OE2 3.34Å; H2-E26 IonicContact ND1-OE2 3.75Å; S3-E26 PolarHBondContact N-OE2 3.33Å; S3-E26 PolarHBondContact OG-OE2 3.19Å; N21-E26 WeakPolarHBondContact CA-O 3.43Å; S22-E26 PolarHBondContact N-O 3.29Å; S22-E26 WeakPolarHBondContact OG-CA 3.47Å; S22-E26 VanDerWaalsContact OG-CB 3.26Å; S22-E26 WeakPolarHBondContact OG-CB 3.06Å; S22-E26 PolarHBondContact OG-N 3.15Å; S22-E26 PolarHBondContact OG-O 3.18Å; D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.22Å | ||
| 27 | I | 93.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.6 | 173.2 | -50.3 | 171.4 | 0 | 0 | 0 | 107.2 | V19 Y29 L56 | V19-I27 HydrophobicContact CG2-CG2 3.93Å; I27-Y29 HydrophobicContact CG2-CE2 4.1Å; I27-L56 HydrophobicContact CD1-CB 3.7Å; I27-L56 HydrophobicContact CG1-CB 3.82Å |
| 28 | L | 94.6 | Very high | 95 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.5 | 179.9 | -58.6 | -173 | 0 | 0 | 0 | 111.2 | H2 V19 S20 W30 | H2-L28 HydrophobicContact CB-CD1 4.48Å; H2-L28 VanDerWaalsContact CE1-CG 3.46Å; H2-L28 WeakPolarHBondContact CE1-CG 3.4Å; V19-L28 WeakPolarHBondContact CA-O 3.37Å; S20-L28 PolarHBondContact N-O 2.97Å; S20-L28 PolarHBondContact O-N 3.17Å; S20-L28 VanDerWaalsContact O-N 3.08Å; S20-L28 PolarHBondContact OG-O 3.11Å; S20-L28 VanDerWaalsContact OG-O 3.07Å; L28-W30 HydrophobicContact CB-CH2 4.4Å; L28-W30 HydrophobicContact CB-CZ2 3.51Å; L28-W30 HydrophobicContact CD1-CH2 3.85Å; L28-W30 HydrophobicContact CD1-CZ2 3.52Å; L28-W30 HydrophobicContact CG-CZ2 4.16Å; L28-W30 PolarHBondContact O-NE1 3.02Å |
| 29 | Y | 95.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 9% | 0.09 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.4 | 177.6 | -59.3 | -86.2 | 0 | 0 | 0 | 110.7 | L18 V19 I27 Q37 V38 T44 W49 | L18-Y29 CarbonylContact O-C 3.56Å; L18-Y29 VanDerWaalsContact O-CA 3.32Å; L18-Y29 WeakPolarHBondContact O-CA 3.35Å; V19-Y29 HydrophobicContact CB-CD1 3.88Å; V19-Y29 HydrophobicContact CB-CE1 3.9Å; V19-Y29 HydrophobicContact CG2-CD1 3.87Å; V19-Y29 HydrophobicContact CG2-CE1 3.57Å; I27-Y29 HydrophobicContact CG2-CE2 4.1Å; Y29-Q37 CarbonylContact O-C 3.51Å; Y29-Q37 WeakPolarHBondContact O-CA 3.49Å; Y29-Q37 WeakPolarHBondContact O-CG 3.46Å; Y29-V38 PolarHBondContact O-N 3.44Å; Y29-T44 HydrophobicContact CD1-CG2 3.74Å; Y29-T44 HydrophobicContact CD2-CG2 3.67Å; Y29-T44 HydrophobicContact CE1-CG2 4.31Å; Y29-T44 HydrophobicContact CE2-CG2 4.24Å; Y29-T44 HydrophobicContact CG-CG2 3.38Å; Y29-W49 AromaticContact CD1-CH2 3.84Å; Y29-W49 HydrophobicContact CD1-CH2 3.84Å; Y29-W49 AromaticContact CD1-CZ2 3.89Å; Y29-W49 HydrophobicContact CD1-CZ2 3.89Å; Y29-W49 HydrophobicContact CE1-CH2 4.07Å; Y29-W49 AromaticContact CE1-CZ2 3.64Å; Y29-W49 HydrophobicContact CE1-CZ2 3.64Å |
| 30 | W | 96.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.3 | -172.4 | -46.8 | 89.9 | 0 | 0 | 0 | 112 | H2 F17 L18 S20 L28 P32 K36 Q37 | H2-W30 AromaticContact CD2-CZ2 3.95Å; F17-W30 VanDerWaalsContact CA-O 3.29Å; F17-W30 WeakPolarHBondContact CA-O 3.38Å; L18-W30 HydrophobicContact CB-CB 4.32Å; L18-W30 HydrophobicContact CD2-CG 4.36Å; L18-W30 PolarHBondContact N-O 3.1Å; L18-W30 VanDerWaalsContact N-O 3.08Å; L18-W30 PolarHBondContact O-N 3.47Å; S20-W30 PolarHBondContact OG-NE1 2.76Å; L28-W30 HydrophobicContact CB-CH2 4.4Å; L28-W30 HydrophobicContact CB-CZ2 3.51Å; L28-W30 HydrophobicContact CD1-CH2 3.85Å; L28-W30 HydrophobicContact CD1-CZ2 3.52Å; L28-W30 HydrophobicContact CG-CZ2 4.16Å; L28-W30 PolarHBondContact O-NE1 3.02Å; W30-P32 WeakPolarHBondContact O-CD 3.43Å; W30-K36 CarbonylContact C-O 3.47Å; W30-K36 WeakPolarHBondContact CA-O 3.29Å; W30-Q37 HydrophobicContact CE3-CB 3.85Å; W30-Q37 HydrophobicContact CE3-CG 4.23Å; W30-Q37 HydrophobicContact CH2-CB 4.39Å; W30-Q37 HydrophobicContact CH2-CG 4.29Å; W30-Q37 HydrophobicContact CZ3-CB 3.65Å; W30-Q37 HydrophobicContact CZ3-CG 3.99Å |
| 31 | V | 96.7 | Very high | 93.7 | Very high | 38 Ų | 38 | 63.8 Ų | 63.8 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 98 | 157.3 | 179 | 0 | 0 | 0 | 0 | 106.7 | F17 S33 A34 C35 K36 V38 | F17-V31 HydrophobicContact CD1-CG2 4.02Å; F17-V31 HydrophobicContact CE1-CG2 3.79Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 WeakPolarHBondContact CG1-OG 3.34Å; V31-S33 PolarHBondContact O-N 3.07Å; V31-A34 HydrophobicContact CB-CB 4.33Å; V31-A34 HydrophobicContact CG1-CB 3.91Å; V31-A34 PolarHBondContact O-N 2.84Å; V31-A34 VanDerWaalsContact O-N 3.12Å; V31-C35 PolarHBondContact O-N 3.37Å; V31-K36 PolarHBondContact N-O 2.96Å; V31-K36 PolarHBondContact O-N 2.85Å; V31-V38 HydrophobicContact CG2-CG2 3.61Å |
| 32 | P | 95.2 | Very high | 93.1 | Very high | 38 Ų | 38 | 70.6 Ų | 70.6 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -63.8 | -34.8 | -171.7 | -26.5 | 38.9 | 0 | 0 | 0 | 112.8 | W11 Q16 L18 W30 A34 C35 | W11-P32 HydrophobicContact CE3-CG 4.46Å; W11-P32 HydrophobicContact CH2-CB 3.77Å; W11-P32 HydrophobicContact CH2-CG 3.72Å; W11-P32 HydrophobicContact CZ3-CB 4Å; W11-P32 HydrophobicContact CZ3-CG 3.58Å; Q16-P32 VanDerWaalsContact O-CD 3.26Å; Q16-P32 WeakPolarHBondContact O-CD 3.32Å; L18-P32 HydrophobicContact CB-CG 3.69Å; L18-P32 HydrophobicContact CD1-CG 4.09Å; W30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-A34 PolarHBondContact O-N 3.34Å; P32-C35 PolarHBondContact O-N 3.01Å; P32-C35 VanDerWaalsContact O-N 3.15Å |
| 33 | S | 96 | Very high | 92.5 | Very high | 112 Ų | 112 | 73.6 Ų | 73.6 | 78% | 0.783 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -62.5 | -25.4 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | V31 | V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 WeakPolarHBondContact CG1-OG 3.34Å; V31-S33 PolarHBondContact O-N 3.07Å |
| 34 | A | 95.7 | Very high | 92 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -106.2 | -2.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | V31 P32 K36 | V31-A34 HydrophobicContact CB-CB 4.33Å; V31-A34 HydrophobicContact CG1-CB 3.91Å; V31-A34 PolarHBondContact O-N 2.84Å; V31-A34 VanDerWaalsContact O-N 3.12Å; P32-A34 PolarHBondContact O-N 3.34Å; A34-K36 HydrophobicContact CB-CB 4.24Å; A34-K36 HydrophobicContact CB-CD 4.28Å; A34-K36 HydrophobicContact CB-CG 4.27Å; A34-K36 WeakPolarHBondContact O-CG 3.36Å; A34-K36 PolarHBondContact O-N 2.8Å; A34-K36 VanDerWaalsContact O-N 3.17Å |
| 35 | C | 94.2 | Very high | 91.5 | Very high | 118 Ų | 118 | 75.7 Ų | 75.7 | 80% | 0.797 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 36.3 | -170.1 | -61.2 | 0 | 0 | 0 | 0 | 113 | V31 P32 | V31-C35 PolarHBondContact O-N 3.37Å; P32-C35 PolarHBondContact O-N 3.01Å; P32-C35 VanDerWaalsContact O-N 3.15Å |
| 36 | K | 95.4 | Very high | 91.2 | Very high | 144 Ų | 144 | 73.4 Ų | 73.4 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.5 | -175.3 | -80.1 | -179.8 | -177.1 | -175 | 0 | 111.7 | W30 V31 A34 | W30-K36 CarbonylContact C-O 3.47Å; W30-K36 WeakPolarHBondContact CA-O 3.29Å; V31-K36 PolarHBondContact N-O 2.96Å; V31-K36 PolarHBondContact O-N 2.85Å; A34-K36 HydrophobicContact CB-CB 4.24Å; A34-K36 HydrophobicContact CB-CD 4.28Å; A34-K36 HydrophobicContact CB-CG 4.27Å; A34-K36 WeakPolarHBondContact O-CG 3.36Å; A34-K36 PolarHBondContact O-N 2.8Å; A34-K36 VanDerWaalsContact O-N 3.17Å |
| 37 | Q | 95.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 38% | 0.379 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 137 | 171.4 | -168.7 | 178.7 | -29 | 0 | 0 | 110.1 | Y29 W30 V39 | Y29-Q37 CarbonylContact O-C 3.51Å; Y29-Q37 WeakPolarHBondContact O-CA 3.49Å; Y29-Q37 WeakPolarHBondContact O-CG 3.46Å; W30-Q37 HydrophobicContact CE3-CB 3.85Å; W30-Q37 HydrophobicContact CE3-CG 4.23Å; W30-Q37 HydrophobicContact CH2-CB 4.39Å; W30-Q37 HydrophobicContact CH2-CG 4.29Å; W30-Q37 HydrophobicContact CZ3-CB 3.65Å; W30-Q37 HydrophobicContact CZ3-CG 3.99Å; Q37-V39 HydrophobicContact CG-CG1 4.39Å |
| 38 | V | 93.8 | Very high | 90.9 | Very high | 21 Ų | 21 | 74.3 Ų | 74.3 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.3 | 171.9 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | F17 Y29 V31 T43 T44 | F17-V38 HydrophobicContact CD1-CG2 4.33Å; F17-V38 HydrophobicContact CE1-CG2 4.33Å; Y29-V38 PolarHBondContact O-N 3.44Å; V31-V38 HydrophobicContact CG2-CG2 3.61Å; V38-T43 HydrophobicContact CG1-CG2 4.19Å; V38-T44 HydrophobicContact CB-CG2 4.14Å; V38-T44 HydrophobicContact CG1-CG2 3.65Å |
| 39 | V | 90.3 | Very high | 90.8 | Very high | 123 Ų | 123 | 73.8 Ų | 73.8 | 75% | 0.745 | 40% | 0.401 | S | S | * | . | trans | -105.2 | -9.9 | 179 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | Q37 V41 | Q37-V39 HydrophobicContact CG-CG1 4.39Å; V39-V41 PolarHBondContact O-N 3.08Å | ||
| 40 | S | 89.1 | Confident | 90.6 | Very high | 48 Ų | 48 | 74.7 Ų | 74.7 | 34% | 0.336 | 41% | 0.413 | S | S | . | . | trans | -78.1 | 114.2 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | E42 T43 T44 | S40-E42 VanDerWaalsContact C-N 3.28Å; S40-E42 PolarHBondContact O-N 3.46Å; S40-T43 PolarHBondContact O-N 2.83Å; S40-T43 PolarHBondContact OG-OG1 3.12Å; S40-T44 WeakPolarHBondContact O-CG2 3.5Å; S40-T44 PolarHBondContact O-N 3.05Å; S40-T44 PolarHBondContact O-OG1 3.01Å | ||
| 41 | V | 81.1 | Confident | 90.3 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -29.4 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | V39 T43 T44 R45 F58 | V39-V41 PolarHBondContact O-N 3.08Å; V41-T43 VanDerWaalsContact C-N 3.28Å; V41-T43 PolarHBondContact O-N 2.85Å; V41-T44 PolarHBondContact O-N 3.17Å; V41-R45 WeakPolarHBondContact O-CB 3.31Å; V41-R45 PolarHBondContact O-N 3.25Å; V41-R45 VanDerWaalsContact O-N 3.12Å; V41-R45 PolarHBondContact O-NE 3.28Å; V41-F58 HydrophobicContact CG1-CE2 4.21Å; V41-F58 HydrophobicContact CG1-CZ 4.25Å |
| 42 | E | 84.3 | Confident | 89.9 | Confident | 143 Ų | 143 | 78 Ų | 78 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 173.7 | -72.4 | 177.2 | 179.6 | 0 | 0 | 111.7 | S40 R45 | S40-E42 VanDerWaalsContact C-N 3.28Å; S40-E42 PolarHBondContact O-N 3.46Å; E42-R45 VanDerWaalsContact CG-NH2 3.31Å |
| 43 | T | 82.3 | Confident | 89.6 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.2 | -33.9 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 112 | F17 V38 S40 V41 I47 | F17-T43 HydrophobicContact CE1-CG2 4.2Å; F17-T43 HydrophobicContact CZ-CG2 4.27Å; V38-T43 HydrophobicContact CG1-CG2 4.19Å; S40-T43 PolarHBondContact O-N 2.83Å; S40-T43 PolarHBondContact OG-OG1 3.12Å; V41-T43 VanDerWaalsContact C-N 3.28Å; V41-T43 PolarHBondContact O-N 2.85Å; T43-I47 VanDerWaalsContact O-CG1 3.29Å; T43-I47 WeakPolarHBondContact O-CG1 3.19Å |
| 44 | T | 84.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.025 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -94.2 | -20 | -168.3 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | Y29 V38 S40 V41 I47 | Y29-T44 HydrophobicContact CD1-CG2 3.74Å; Y29-T44 HydrophobicContact CD2-CG2 3.67Å; Y29-T44 HydrophobicContact CE1-CG2 4.31Å; Y29-T44 HydrophobicContact CE2-CG2 4.24Å; Y29-T44 HydrophobicContact CG-CG2 3.38Å; V38-T44 HydrophobicContact CB-CG2 4.14Å; V38-T44 HydrophobicContact CG1-CG2 3.65Å; S40-T44 WeakPolarHBondContact O-CG2 3.5Å; S40-T44 PolarHBondContact O-N 3.05Å; S40-T44 PolarHBondContact O-OG1 3.01Å; V41-T44 PolarHBondContact O-N 3.17Å; T44-I47 HydrophobicContact CG2-CD1 4.33Å |
| 45 | R | 83.3 | Confident | 88.6 | Confident | 129 Ų | 129 | 76 Ų | 76 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -34.6 | -177.4 | 73.3 | 177.7 | 72.3 | 169.7 | 5.2 | 113.9 | V41 E42 | V41-R45 WeakPolarHBondContact O-CB 3.31Å; V41-R45 PolarHBondContact O-N 3.25Å; V41-R45 VanDerWaalsContact O-N 3.12Å; V41-R45 PolarHBondContact O-NE 3.28Å; E42-R45 VanDerWaalsContact CG-NH2 3.31Å |
| 46 | D | 86.1 | Confident | 87.9 | Confident | 137 Ų | 137 | 72.9 Ų | 72.9 | 73% | 0.733 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 13 | -171.4 | -63.3 | -47.1 | 0 | 0 | 0 | 112.2 | E48 | D46-E48 PolarHBondContact O-N 3Š|
| 47 | I | 89.6 | Confident | 86.9 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 11% | 0.113 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 125.7 | 178 | -60.6 | 177.4 | 0 | 0 | 0 | 109.5 | F17 T43 T44 W49 | F17-I47 HydrophobicContact CB-CD1 3.88Å; F17-I47 HydrophobicContact CB-CG2 4.43Å; F17-I47 HydrophobicContact CD1-CD1 4.01Å; F17-I47 HydrophobicContact CD2-CD1 3.96Å; F17-I47 HydrophobicContact CD2-CG1 4.44Å; F17-I47 HydrophobicContact CG-CD1 3.68Å; T43-I47 VanDerWaalsContact O-CG1 3.29Å; T43-I47 WeakPolarHBondContact O-CG1 3.19Å; T44-I47 HydrophobicContact CG2-CD1 4.33Å; I47-W49 HydrophobicContact CB-CH2 4.15Å; I47-W49 HydrophobicContact CB-CZ2 3.69Å; I47-W49 HydrophobicContact CD1-CH2 3.92Å; I47-W49 HydrophobicContact CD1-CZ2 4.03Å; I47-W49 HydrophobicContact CG1-CZ2 4.42Å; I47-W49 HydrophobicContact CG2-CD2 4Å; I47-W49 HydrophobicContact CG2-CE3 4.05Å; I47-W49 HydrophobicContact CG2-CH2 3.68Å; I47-W49 HydrophobicContact CG2-CZ2 3.63Å; I47-W49 HydrophobicContact CG2-CZ3 3.91Å; I47-W49 PolarHBondContact O-NE1 3.24Å |
| 48 | E | 90.4 | Very high | 85.6 | Confident | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 121.5 | 168.1 | -166.9 | 179 | -174.8 | 0 | 0 | 110.3 | S12 V13 D46 | S12-E48 WeakPolarHBondContact CA-O 3.37Å; V13-E48 HydrophobicContact CG2-CB 4.31Å; V13-E48 HydrophobicContact CG2-CG 3.84Å; V13-E48 PolarHBondContact N-O 3.43Å; D46-E48 PolarHBondContact O-N 3Å |
| 49 | W | 90.9 | Very high | 84.2 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -92.8 | 138.6 | -178.1 | -55.4 | 102.6 | 0 | 0 | 0 | 110.9 | D10 F17 V19 Y29 I47 T51 Y52 | D10-W49 HydrophobicContact CB-CE3 4.46Å; F17-W49 HydrophobicContact CB-CH2 4.3Å; F17-W49 HydrophobicContact CB-CZ3 4.29Å; V19-W49 HydrophobicContact CB-CE3 4.37Å; V19-W49 HydrophobicContact CB-CH2 3.61Å; V19-W49 HydrophobicContact CB-CZ2 3.94Å; V19-W49 HydrophobicContact CB-CZ3 3.84Å; V19-W49 HydrophobicContact CG1-CD2 3.9Å; V19-W49 HydrophobicContact CG1-CE3 3.67Å; V19-W49 HydrophobicContact CG1-CH2 3.83Å; V19-W49 HydrophobicContact CG1-CZ2 4.01Å; V19-W49 HydrophobicContact CG1-CZ3 3.64Å; Y29-W49 AromaticContact CD1-CH2 3.84Å; Y29-W49 HydrophobicContact CD1-CH2 3.84Å; Y29-W49 AromaticContact CD1-CZ2 3.89Å; Y29-W49 HydrophobicContact CD1-CZ2 3.89Å; Y29-W49 HydrophobicContact CE1-CH2 4.07Å; Y29-W49 AromaticContact CE1-CZ2 3.64Å; Y29-W49 HydrophobicContact CE1-CZ2 3.64Å; I47-W49 HydrophobicContact CB-CH2 4.15Å; I47-W49 HydrophobicContact CB-CZ2 3.69Å; I47-W49 HydrophobicContact CD1-CH2 3.92Å; I47-W49 HydrophobicContact CD1-CZ2 4.03Å; I47-W49 HydrophobicContact CG1-CZ2 4.42Å; I47-W49 HydrophobicContact CG2-CD2 4Å; I47-W49 HydrophobicContact CG2-CE3 4.05Å; I47-W49 HydrophobicContact CG2-CH2 3.68Å; I47-W49 HydrophobicContact CG2-CZ2 3.63Å; I47-W49 HydrophobicContact CG2-CZ3 3.91Å; I47-W49 PolarHBondContact O-NE1 3.24Å; W49-T51 VanDerWaalsContact C-N 3.28Å; W49-T51 WeakPolarHBondContact CB-O 3.39Å; W49-Y52 HydrophobicContact CB-CD1 4.43Å; W49-Y52 HydrophobicContact CB-CD2 4.45Å; W49-Y52 HydrophobicContact CB-CE1 4.04Å; W49-Y52 HydrophobicContact CB-CE2 3.99Å; W49-Y52 AromaticContact CD1-CE1 3.8Å; W49-Y52 HydrophobicContact CG-CE1 4.32Å; W49-Y52 PolarHBondContact N-OH 2.85Å; W49-Y52 WeakPolarHBondContact O-CE2 3.14Å |
| 50 | A | 92.5 | Very high | 82.7 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 35% | 0.347 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -68.6 | -33.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W11 V13 | W11-A50 WeakPolarHBondContact O-CB 3.28Å; W11-A50 PolarHBondContact O-N 3.48Å; V13-A50 HydrophobicContact CG2-CB 4.37Å |
| 51 | T | 88.7 | Confident | 81.1 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 33% | 0.331 | 38% | 0.38 | S | S | . | . | trans | -135.6 | 157.4 | 177.1 | 53 | 0 | 0 | 0 | 0 | 109.5 | D10 W49 | D10-T51 VanDerWaalsContact CB-O 3.29Å; D10-T51 WeakPolarHBondContact CB-O 3.46Å; D10-T51 VanDerWaalsContact OD1-C 3.23Å; D10-T51 WeakPolarHBondContact OD1-CB 3.26Å; D10-T51 PolarHBondContact OD1-OG1 3.34Å; W49-T51 VanDerWaalsContact C-N 3.28Å; W49-T51 WeakPolarHBondContact CB-O 3.39Å | ||
| 52 | Y | 89.9 | Confident | 79.6 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | trans | -128.4 | 57.1 | -178.5 | -69.6 | -96.2 | 0 | 0 | 0 | 109.4 | W49 H59 L67 | W49-Y52 HydrophobicContact CB-CD1 4.43Å; W49-Y52 HydrophobicContact CB-CD2 4.45Å; W49-Y52 HydrophobicContact CB-CE1 4.04Å; W49-Y52 HydrophobicContact CB-CE2 3.99Å; W49-Y52 AromaticContact CD1-CE1 3.8Å; W49-Y52 HydrophobicContact CG-CE1 4.32Å; W49-Y52 PolarHBondContact N-OH 2.85Å; W49-Y52 WeakPolarHBondContact O-CE2 3.14Å; Y52-H59 HydrophobicContact CD1-CB 4.19Å; Y52-H59 AromaticContact CD1-CD2 3.55Å; Y52-H59 AromaticContact CD1-CG 3.95Å; Y52-H59 HydrophobicContact CE1-CB 3.95Å; Y52-L67 HydrophobicContact CD2-CD1 4.28Å; Y52-L67 HydrophobicContact CE2-CD1 3.54Å | ||
| 53 | T | 87.6 | Confident | 77.8 | Confident | 68 Ų | 68 | 72 Ų | 72 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | trans | -88.4 | -23.3 | 179 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | H8 L9 D10 T55 | H8-T53 PolarHBondContact ND1-O 3.43Å; H8-T53 VanDerWaalsContact ND1-O 3.12Å; L9-T53 PolarHBondContact O-OG1 2.49Å; D10-T53 VanDerWaalsContact CG-N 3.31Å; D10-T53 WeakPolarHBondContact OD1-CB 3.46Å; D10-T53 PolarHBondContact OD1-N 3.11Å; D10-T53 PolarHBondContact OD1-OG1 3.44Å; D10-T53 PolarHBondContact OD2-N 3.17Å; D10-T53 PolarHBondContact OD2-OG1 3.4Å; T53-T55 PolarHBondContact O-N 3.02Å | ||
| 54 | C | 85.8 | Confident | 76.2 | Confident | 4 Ų | 4 | 77.7 Ų | 77.7 | 3% | 0.027 | 41% | 0.406 | C | S | . | . | trans | -63.2 | 113.8 | 173 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | H8 D10 N21 L56 H59 | H8-C54 HydrophobicContact CB-CB 4.43Å; D10-C54 VanDerWaalsContact OD2-CB 3.31Å; D10-C54 WeakPolarHBondContact OD2-CB 3.31Å; D10-C54 PolarHBondContact OD2-N 3.47Å; D10-C54 PolarHBondContact OD2-SG 3.27Å; N21-C54 VanDerWaalsContact OD1-CA 3.28Å; N21-C54 WeakPolarHBondContact OD1-CA 3.37Å; N21-C54 VanDerWaalsContact OD1-CB 3.24Å; N21-C54 WeakPolarHBondContact OD1-CB 3.45Å; C54-L56 PolarHBondContact O-N 3.08Å; C54-H59 PolarHBondContact O-NE2 3.12Å | ||
| 55 | T | 84.7 | Confident | 74.2 | Confident | 85 Ų | 85 | 82.1 Ų | 82.1 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -77.6 | -11.1 | 179.5 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | N21 T53 | N21-T55 PolarHBondContact OD1-N 3.32Å; N21-T55 VanDerWaalsContact OD1-N 3.17Å; T53-T55 PolarHBondContact O-N 3.02Å |
| 56 | L | 79.4 | Confident | 72.4 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 27% | 0.272 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -122.3 | 121.7 | 179 | -51.4 | 171 | 0 | 0 | 0 | 109.2 | N21 Y25 I27 C54 | N21-L56 PolarHBondContact ND2-O 2.98Å; N21-L56 PolarHBondContact OD1-N 2.82Å; N21-L56 PolarHBondContact OD1-O 2.9Å; Y25-L56 HydrophobicContact CD1-CD1 3.91Å; Y25-L56 HydrophobicContact CG-CD1 4.48Å; I27-L56 HydrophobicContact CD1-CB 3.7Å; I27-L56 HydrophobicContact CG1-CB 3.82Å; C54-L56 PolarHBondContact O-N 3.08Å |
| 57 | G | 74.7 | Confident | 70.6 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 8% | 0.082 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 168.3 | 164.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H59 V60 | G57-H59 PolarHBondContact O-N 3.26Å; G57-V60 VanDerWaalsContact O-CB 3.31Å; G57-V60 WeakPolarHBondContact O-CB 3.37Å; G57-V60 WeakPolarHBondContact O-CG2 3.43Å; G57-V60 PolarHBondContact O-N 3.36Å |
| 58 | F | 68.2 | Low | 68.4 | Low | 136 Ų | 136 | 84.9 Ų | 84.9 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -58.4 | -31.6 | 176.2 | -82.9 | -83.3 | 0 | 0 | 0 | 112.6 | V41 V60 F61 | V41-F58 HydrophobicContact CG1-CE2 4.21Å; V41-F58 HydrophobicContact CG1-CZ 4.25Å; F58-V60 PolarHBondContact O-N 3.22Å; F58-F61 PolarHBondContact O-N 3.44Å |
| 59 | H | 63.8 | Low | 65.9 | Low | 47 Ų | 47 | 88.1 Ų | 88.1 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -65.8 | -17.5 | 175.6 | 61 | -85.5 | 0 | 0 | 0 | 113.9 | Y52 C54 G57 | Y52-H59 HydrophobicContact CD1-CB 4.19Å; Y52-H59 AromaticContact CD1-CD2 3.55Å; Y52-H59 AromaticContact CD1-CG 3.95Å; Y52-H59 HydrophobicContact CE1-CB 3.95Å; C54-H59 PolarHBondContact O-NE2 3.12Å; G57-H59 PolarHBondContact O-N 3.26Å |
| 60 | V | 59.7 | Low | 63.6 | Low | 69 Ų | 69 | 92.1 Ų | 92.1 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -81.6 | -25.3 | -176.8 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | G57 F58 | G57-V60 VanDerWaalsContact O-CB 3.31Å; G57-V60 WeakPolarHBondContact O-CB 3.37Å; G57-V60 WeakPolarHBondContact O-CG2 3.43Å; G57-V60 PolarHBondContact O-N 3.36Å; F58-V60 PolarHBondContact O-N 3.22Å |
| 61 | F | 54.6 | Low | 61.2 | Low | 197 Ų | 197 | 96.4 Ų | 96.4 | 86% | 0.864 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -97.7 | 2.8 | -176.8 | -78.3 | -81.9 | 0 | 0 | 0 | 115.1 | F58 | F58-F61 PolarHBondContact O-N 3.44Š|
| 62 | G | 49.8 | Very low | 58.9 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -139.9 | 100.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | K64 | G62-K64 PolarHBondContact O-N 2.97Š|
| 63 | S | 46.4 | Very low | 56.6 | Low | 108 Ų | 108 | 99.3 Ų | 99.3 | 76% | 0.755 | 52% | 0.517 | S | S | * | . | trans | -44.4 | 119.3 | -177.9 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 64 | K | 48.7 | Very low | 54.7 | Low | 186 Ų | 186 | 106.3 Ų | 106.3 | 81% | 0.809 | 54% | 0.536 | S | S | * | . | trans | -140 | 94.5 | 139.1 | -78.4 | -66.7 | -175.7 | 178.3 | 0 | 110.1 | G62 H66 | G62-K64 PolarHBondContact O-N 2.97Å; K64-H66 PolarHBondContact O-N 3.47Å | ||
| 65 | P | 43.8 | Very low | 53 | Low | 98 Ų | 98 | 114.9 Ų | 114.9 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | trans | -78.7 | 66.3 | 156.3 | 34.7 | -30.1 | 0 | 0 | 0 | 108 | ||||
| 66 | H | 46.2 | Very low | 51.2 | Low | 134 Ų | 134 | 119.1 Ų | 119.1 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | trans | -93.8 | -16.9 | 172.9 | -166 | 57.6 | 0 | 0 | 0 | 112.6 | K64 | K64-H66 PolarHBondContact O-N 3.47Š| ||
| 67 | L | 47.5 | Very low | 49.9 | Very low | 54 Ų | 54 | 126.9 Ų | 126.9 | 28% | 0.283 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -101.3 | -2.2 | -176.9 | -66.3 | 168.2 | 0 | 0 | 0 | 114.8 | Y52 W69 T70 | Y52-L67 HydrophobicContact CD2-CD1 4.28Å; Y52-L67 HydrophobicContact CE2-CD1 3.54Å; L67-W69 PolarHBondContact O-N 3.4Å; L67-T70 WeakPolarHBondContact CD2-OG1 3.36Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 PolarHBondContact O-OG1 2.85Å |
| 68 | Q | 43.1 | Very low | 48.5 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.9 | 167.6 | -164.6 | 161.7 | 21 | 0 | 0 | 112 | ||
| 69 | W | 38 | Very low | 47.2 | Very low | 189 Ų | 189 | 131 Ų | 131 | 72% | 0.716 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -10.4 | 179.6 | -63.9 | 108.5 | 0 | 0 | 0 | 115 | L67 | L67-W69 PolarHBondContact O-N 3.4Š|
| 70 | T | 42.4 | Very low | 46.6 | Very low | 93 Ų | 93 | 134 Ų | 134 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -8.9 | 176.7 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | L67 | L67-T70 WeakPolarHBondContact CD2-OG1 3.36Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 PolarHBondContact O-OG1 2.85Å |
| 71 | Q | 42.9 | Very low | 45.9 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 62% | 0.617 | 72% | 0.721 | S | S | * | * | trans | -98.9 | 25.4 | 173 | -64.5 | -157 | 24.1 | 0 | 0 | 114.3 | P73 | Q71-P73 WeakPolarHBondContact O-CD 3.46Š| ||
| 72 | Q | 39.7 | Very low | 45.5 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 56% | 0.556 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -70.7 | 124 | 159 | -75.8 | -170.8 | 5.9 | 0 | 0 | 108.5 | R74 | Q72-R74 PolarHBondContact O-N 3.38Š|
| 73 | P | 41.1 | Very low | 45.3 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -55.8 | 133.1 | 169.5 | -6.9 | 14.4 | 0 | 0 | 0 | 108.1 | Q71 H75 | Q71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-H75 PolarHBondContact O-N 3.27Å | ||
| 74 | R | 49.2 | Very low | 45.2 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -58.1 | 7.7 | 179.6 | -82.6 | -166.4 | -74.2 | -138.6 | -2.3 | 115.3 | Q72 | Q72-R74 PolarHBondContact O-N 3.38Š|
| 75 | H | 48.6 | Very low | 45 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -92.9 | 7.6 | -177.5 | -101.5 | -77 | 0 | 0 | 0 | 115.6 | P73 | P73-H75 PolarHBondContact O-N 3.27Š|
| 76 | Q | 48.1 | Very low | 45.1 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -121.3 | 33.7 | 171 | -67.4 | -166.9 | -3.6 | 0 | 0 | 114 | G78 | Q76-G78 PolarHBondContact O-N 3.45Š|
| 77 | R | 51.3 | Low | 45 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | trans | -92.2 | 81 | 159.9 | -75.1 | -169.8 | -65.3 | 172 | 0.7 | 109.7 | ||||
| 78 | G | 46.3 | Very low | 44.8 | Very low | 61 Ų | 61 | 155 Ų | 155 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | -177.2 | 128.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q76 | Q76-G78 PolarHBondContact O-N 3.45Š| ||
| 79 | L | 39.1 | Very low | 45 | Very low | 170 Ų | 170 | 154.8 Ų | 154.8 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | cis | -152.2 | -156.4 | 11.6 | -71.2 | 154 | 0 | 0 | 0 | 106.8 | ||||
| 80 | P | 51.8 | Low | 45.6 | Very low | 110 Ų | 110 | 152 Ų | 152 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | -119 | 172 | -99.1 | 37.8 | -19.3 | 0 | 0 | 0 | 114.5 | |||||
| 81 | L | 46.2 | Very low | 45.8 | Very low | 248 Ų | 248 | 157.4 Ų | 157.4 | 100% | 1.298 | 79% | 0.787 | S | S | * | * | trans | 68.1 | 0 | 171.9 | -59.4 | -179.7 | 0 | 0 | 0 | 117.2 |
Retrieved 81 of 81 residues in 63.3 ms
(Link to these results)