| 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 | 60 | Low | 81.7 | Confident | 245 Ų | 245 | 117.4 Ų | 117.4 | 100% | 1.207 | 69% | 0.689 | S | S | * | * | 0 | 123.4 | 0 | -162.7 | 175.9 | -152.2 | 0 | 0 | 106.6 | |||||
| 2 | V | 78 | Confident | 82.5 | Confident | 144 Ų | 144 | 110 Ų | 110 | 87% | 0.873 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -90 | 124.7 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | ||
| 3 | K | 80.9 | Confident | 83.4 | Confident | 188 Ų | 188 | 106.2 Ų | 106.2 | 82% | 0.817 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 119.9 | 173.1 | -173.1 | 177.7 | 179.4 | -176.4 | 0 | 107.9 | ||
| 4 | A | 83.6 | Confident | 84.2 | Confident | 94 Ų | 94 | 105.1 Ų | 105.1 | 78% | 0.777 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -95 | 138 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 5 | S | 84.4 | Confident | 84.9 | Confident | 59 Ų | 59 | 104.1 Ų | 104.1 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | trans | -124.4 | 148.6 | 173.1 | -60.4 | 0 | 0 | 0 | 0 | 109 | I43 | S5-I43 WeakPolarHBondContact OG-CD1 3.46Š| ||
| 6 | T | 84.2 | Confident | 85.5 | Confident | 120 Ų | 120 | 99.6 Ų | 99.6 | 74% | 0.736 | 59% | 0.591 | S | S | * | * | trans | -111.1 | 127.1 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | L8 | T6-L8 HydrophobicContact CG2-CD2 3.96Å; T6-L8 HydrophobicContact CG2-CG 4.46Å | ||
| 7 | M | 84.3 | Confident | 86.1 | Confident | 67 Ų | 67 | 98.8 Ų | 98.8 | 33% | 0.33 | 59% | 0.587 | S | S | . | * | trans | -99.4 | 122.5 | 174.3 | -74.6 | 167.6 | -63.5 | 0 | 0 | 109.3 | F26 W38 I43 | M7-F26 HydrophobicContact CE-CE1 3.89Å; M7-F26 HydrophobicContact CE-CE2 4Å; M7-F26 HydrophobicContact CE-CZ 3.16Å; M7-F26 HydrophobicContact SD-CE1 4.11Å; M7-F26 HydrophobicContact SD-CZ 3.54Å; M7-F26 VanDerWaalsContact SD-CZ 3.54Å; M7-W38 HydrophobicContact CB-CE3 3.9Å; M7-W38 HydrophobicContact CB-CH2 4.14Å; M7-W38 HydrophobicContact CB-CZ3 3.64Å; M7-W38 HydrophobicContact CG-CE3 3.98Å; M7-W38 HydrophobicContact CG-CZ3 4.09Å; M7-W38 HydrophobicContact SD-CB 4.35Å; M7-W38 HydrophobicContact SD-CD2 4.16Å; M7-W38 HydrophobicContact SD-CE3 3.71Å; M7-W38 HydrophobicContact SD-CG 4.44Å; M7-W38 HydrophobicContact SD-CZ3 4.41Å; M7-I43 HydrophobicContact CG-CB 4.5Å; M7-I43 HydrophobicContact CG-CG2 3.34Å; M7-I43 HydrophobicContact SD-CG2 3.77Å | ||
| 8 | L | 84.6 | Confident | 86.7 | Confident | 152 Ų | 152 | 96.1 Ų | 96.1 | 80% | 0.796 | 57% | 0.569 | S | S | * | * | trans | -104.9 | 133.9 | 179.1 | -59.3 | 174.8 | 0 | 0 | 0 | 108.5 | T6 | T6-L8 HydrophobicContact CG2-CD2 3.96Å; T6-L8 HydrophobicContact CG2-CG 4.46Å | ||
| 9 | G | 80.6 | Confident | 87.1 | Confident | 58 Ų | 58 | 98.2 Ų | 98.2 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | trans | 176.4 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 10 | H | 88.5 | Confident | 87.5 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 17% | 0.167 | 54% | 0.544 | C | S | . | . | trans | -74.4 | 140.1 | 174.8 | -81.3 | -81.2 | 0 | 0 | 0 | 111.9 | I14 T28 D32 V34 | H10-I14 HydrophobicContact CB-CD1 4.47Å; H10-I14 HydrophobicContact CB-CG1 4.09Å; H10-T28 PolarHBondContact CD2-OG1 2.93Å; H10-T28 PolarHBondContact NE2-OG1 3.16Å; H10-D32 VanDerWaalsContact CA-OD2 3.26Å; H10-D32 WeakPolarHBondContact CA-OD2 3.48Å; H10-D32 WeakPolarHBondContact CB-OD2 3.02Å; H10-D32 IonicContact CE1-OD1 3.17Å; H10-D32 IonicContact CE1-OD2 2.84Å; H10-D32 IonicContact CG-OD2 2.79Å; H10-D32 VanDerWaalsContact ND1-CG 3.32Å; H10-D32 IonicContact ND1-OD1 3.74Å; H10-D32 PolarHBondContact ND1-OD1 2.96Å; H10-D32 IonicContact ND1-OD2 2.53Å; H10-D32 PolarHBondContact ND1-OD2 3.25Å; H10-V34 PolarHBondContact CE1-O 2.68Å | ||
| 11 | C | 89.9 | Confident | 87.6 | Confident | 128 Ų | 128 | 93.6 Ų | 93.6 | 87% | 0.865 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -97.3 | 5.4 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | D32 | C11-D32 HydrophobicContact CB-CB 4.42Å; C11-D32 PolarHBondContact N-OD2 3.48Å |
| 12 | G | 90.9 | Very high | 88.9 | Confident | 29 Ų | 29 | 85.2 Ų | 85.2 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -141.7 | 177.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I14 D32 | G12-I14 PolarHBondContact O-N 3.47Å; G12-D32 PolarHBondContact N-OD2 3.4Å |
| 13 | A | 94 | Very high | 89.3 | Confident | 61 Ų | 61 | 82.3 Ų | 82.3 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | trans | -63.3 | 126.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K15 G30 A31 | A13-K15 PolarHBondContact O-N 2.96Å; A13-G30 CarbonylContact O-C 3.56Å; A13-G30 WeakPolarHBondContact O-CA 3.38Å; A13-A31 HydrophobicContact CB-CB 4.44Å; A13-A31 PolarHBondContact O-N 3.28Å | ||
| 14 | I | 94.4 | Very high | 89.7 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 122.4 | 170.2 | -59.6 | 173.4 | 0 | 0 | 0 | 107.4 | H10 G12 C16 T28 | H10-I14 HydrophobicContact CB-CD1 4.47Å; H10-I14 HydrophobicContact CB-CG1 4.09Å; G12-I14 PolarHBondContact O-N 3.47Å; I14-C16 WeakPolarHBondContact CG2-O 3.41Å; I14-T28 HydrophobicContact CG2-CG2 4.44Å |
| 15 | K | 94.9 | Very high | 90.2 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 39% | 0.391 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -28.3 | -179.9 | -66.9 | -59.9 | -168.9 | 72.4 | 0 | 112.2 | A13 A29 E57 | A13-K15 PolarHBondContact O-N 2.96Å; K15-A29 PolarHBondContact N-O 2.64Å; K15-E57 IonicContact NZ-OE1 3.27Å; K15-E57 PolarHBondContact NZ-OE1 2.8Å; K15-E57 IonicContact NZ-OE2 3.06Å |
| 16 | C | 95.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 150.2 | -174.3 | -169 | 0 | 0 | 0 | 0 | 111.5 | I14 T28 A29 V59 | I14-C16 WeakPolarHBondContact CG2-O 3.41Å; C16-T28 WeakPolarHBondContact O-CA 3.49Å; C16-A29 PolarHBondContact N-O 2.74Å; C16-A29 VanDerWaalsContact N-O 3.1Å; C16-A29 PolarHBondContact O-N 2.92Å; C16-V59 HydrophobicContact CB-CG1 4.3Å; C16-V59 PolarHBondContact SG-N 2.96Å |
| 17 | V | 95.6 | Very high | 91.2 | Very high | 86 Ų | 86 | 68.1 Ų | 68.1 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139.1 | 171.7 | 60.7 | 0 | 0 | 0 | 0 | 108.4 | F26 A27 T28 | V17-F26 HydrophobicContact CG2-CD2 3.84Å; V17-A27 CarbonylContact C-O 3.45Å; V17-A27 VanDerWaalsContact CA-O 3.24Å; V17-A27 WeakPolarHBondContact CA-O 3.02Å; V17-A27 WeakPolarHBondContact CG2-O 3.43Å; V17-T28 HydrophobicContact CB-CG2 4.39Å; V17-T28 HydrophobicContact CG2-CG2 4.08Å |
| 18 | D | 96.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142 | 174.3 | -165.9 | 26.8 | 0 | 0 | 0 | 110.4 | F26 A27 S60 F61 | D18-F26 CarbonylContact O-C 3.59Å; D18-F26 VanDerWaalsContact O-CA 3.24Å; D18-F26 WeakPolarHBondContact O-CA 3.33Å; D18-F26 VanDerWaalsContact O-CB 3.24Å; D18-F26 WeakPolarHBondContact O-CB 3.35Å; D18-A27 PolarHBondContact N-O 2.84Å; D18-A27 PolarHBondContact O-N 2.86Å; D18-S60 WeakPolarHBondContact OD2-CA 3.03Å; D18-S60 PolarHBondContact OD2-OG 2.88Å; D18-F61 HydrophobicContact CB-CD2 4.29Å; D18-F61 WeakPolarHBondContact O-CE2 3.43Å; D18-F61 PolarHBondContact OD2-N 2.59Å |
| 19 | F | 95.3 | Very high | 92.2 | Very high | 136 Ų | 136 | 58.1 Ų | 58.1 | 60% | 0.596 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 141.7 | 176.8 | -83.3 | -83.1 | 0 | 0 | 0 | 110.3 | P21 F26 | F19-P21 WeakPolarHBondContact O-CD 3.31Å; F19-F26 HydrophobicContact CD1-CB 3.66Å; F19-F26 HydrophobicContact CD1-CG 4.43Å; F19-F26 HydrophobicContact CE1-CB 3.92Å; F19-F26 HydrophobicContact CE1-CD1 4.06Å; F19-F26 HydrophobicContact CE1-CG 4.2Å; F19-F26 HydrophobicContact CG-CB 4.09Å |
| 20 | D | 93.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | trans | -69.2 | 122.3 | 166.7 | -174.7 | -19.3 | 0 | 0 | 0 | 108 | S22 D23 K25 F61 G65 | D20-S22 PolarHBondContact O-N 3.3Å; D20-S22 WeakPolarHBondContact OD1-CB 3.44Å; D20-S22 PolarHBondContact OD1-N 3.33Å; D20-S22 PolarHBondContact OD1-OG 3.46Å; D20-D23 VanDerWaalsContact O-O 3.1Å; D20-K25 HydrophobicContact CB-CB 4.04Å; D20-K25 WeakPolarHBondContact CB-O 3.46Å; D20-K25 PolarHBondContact N-O 3.46Å; D20-F61 HydrophobicContact CB-CD1 3.92Å; D20-F61 HydrophobicContact CB-CD2 4.23Å; D20-F61 HydrophobicContact CB-CE1 3.79Å; D20-F61 HydrophobicContact CB-CE2 4.11Å; D20-F61 HydrophobicContact CB-CG 4.13Å; D20-F61 HydrophobicContact CB-CZ 3.91Å; D20-G65 VanDerWaalsContact OD1-CA 3.25Å; D20-G65 WeakPolarHBondContact OD1-CA 3.28Å; D20-G65 WeakPolarHBondContact OD2-CA 3.08Å | ||
| 21 | P | 91.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 60% | 0.597 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -72.2 | -14.4 | 178.8 | 28.6 | -34.1 | 0 | 0 | 0 | 113.3 | F19 | F19-P21 WeakPolarHBondContact O-CD 3.31Š|
| 22 | S | 86.7 | Confident | 93.2 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -103.3 | -18.4 | -171.6 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | D20 D64 G65 | D20-S22 PolarHBondContact O-N 3.3Å; D20-S22 WeakPolarHBondContact OD1-CB 3.44Å; D20-S22 PolarHBondContact OD1-N 3.33Å; D20-S22 PolarHBondContact OD1-OG 3.46Å; S22-D64 VanDerWaalsContact OG-C 3.31Å; S22-D64 PolarHBondContact OG-O 2.88Å; S22-G65 WeakPolarHBondContact OG-CA 3.25Å; S22-G65 PolarHBondContact OG-N 3.15Å |
| 23 | D | 85.3 | Confident | 93.3 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -150.4 | 168.8 | -174.2 | -158.3 | -5 | 0 | 0 | 0 | 110.9 | D20 K25 | D20-D23 VanDerWaalsContact O-O 3.1Å; D23-K25 PolarHBondContact O-N 3.19Å; D23-K25 IonicContact OD2-NZ 3.73Å; D23-K25 PolarHBondContact OD2-NZ 3.03Å |
| 24 | D | 89.7 | Confident | 93.3 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -78.3 | 47.3 | 179.8 | -68.1 | -35.9 | 0 | 0 | 0 | 112.1 | A40 N41 | D24-A40 VanDerWaalsContact O-CB 3.32Å; D24-A40 WeakPolarHBondContact O-CB 3.29Å; D24-A40 PolarHBondContact O-N 2.78Å; D24-N41 VanDerWaalsContact CB-ND2 3.25Å; D24-N41 WeakPolarHBondContact CB-ND2 3.4Å; D24-N41 VanDerWaalsContact CG-ND2 3.35Å; D24-N41 PolarHBondContact OD2-ND2 3.41Å |
| 25 | K | 93.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 160.5 | 177 | -58.4 | -167 | -162.1 | 74.3 | 0 | 111.9 | D20 D23 I37 W38 | D20-K25 HydrophobicContact CB-CB 4.04Å; D20-K25 WeakPolarHBondContact CB-O 3.46Å; D20-K25 PolarHBondContact N-O 3.46Å; D23-K25 PolarHBondContact O-N 3.19Å; D23-K25 IonicContact OD2-NZ 3.73Å; D23-K25 PolarHBondContact OD2-NZ 3.03Å; K25-I37 HydrophobicContact CD-CG2 4.06Å; K25-W38 WeakPolarHBondContact CA-O 3.13Å; K25-W38 WeakPolarHBondContact CB-O 3.37Å |
| 26 | F | 95.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 160.2 | 166.6 | 66 | -84.5 | 0 | 0 | 0 | 109.8 | M7 V17 D18 F19 T28 W38 A40 | M7-F26 HydrophobicContact CE-CE1 3.89Å; M7-F26 HydrophobicContact CE-CE2 4Å; M7-F26 HydrophobicContact CE-CZ 3.16Å; M7-F26 HydrophobicContact SD-CE1 4.11Å; M7-F26 HydrophobicContact SD-CZ 3.54Å; M7-F26 VanDerWaalsContact SD-CZ 3.54Å; V17-F26 HydrophobicContact CG2-CD2 3.84Å; D18-F26 CarbonylContact O-C 3.59Å; D18-F26 VanDerWaalsContact O-CA 3.24Å; D18-F26 WeakPolarHBondContact O-CA 3.33Å; D18-F26 VanDerWaalsContact O-CB 3.24Å; D18-F26 WeakPolarHBondContact O-CB 3.35Å; F19-F26 HydrophobicContact CD1-CB 3.66Å; F19-F26 HydrophobicContact CD1-CG 4.43Å; F19-F26 HydrophobicContact CE1-CB 3.92Å; F19-F26 HydrophobicContact CE1-CD1 4.06Å; F19-F26 HydrophobicContact CE1-CG 4.2Å; F19-F26 HydrophobicContact CG-CB 4.09Å; F26-T28 HydrophobicContact CD2-CG2 4.01Å; F26-T28 HydrophobicContact CE2-CG2 3.78Å; F26-W38 HydrophobicContact CD1-CB 4.04Å; F26-W38 HydrophobicContact CD2-CB 4.23Å; F26-W38 AromaticContact CD2-CD1 3.92Å; F26-W38 HydrophobicContact CD2-CG 4.32Å; F26-W38 HydrophobicContact CE1-CB 3.4Å; F26-W38 VanDerWaalsContact CE1-CB 3.4Å; F26-W38 HydrophobicContact CE1-CG 4.2Å; F26-W38 HydrophobicContact CE2-CB 3.64Å; F26-W38 AromaticContact CE2-CD1 3.36Å; F26-W38 HydrophobicContact CE2-CD2 4.43Å; F26-W38 AromaticContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CG-CB 4.37Å; F26-W38 HydrophobicContact CZ-CB 3.12Å; F26-W38 AromaticContact CZ-CD1 3.77Å; F26-W38 HydrophobicContact CZ-CD2 4.24Å; F26-W38 AromaticContact CZ-CG 3.42Å; F26-W38 HydrophobicContact CZ-CG 3.42Å; F26-W38 VanDerWaalsContact CZ-CG 3.42Å; F26-W38 PolarHBondContact N-O 2.85Å; F26-W38 VanDerWaalsContact N-O 3.13Å; F26-W38 PolarHBondContact O-N 2.99Å; F26-A40 HydrophobicContact CD1-CB 4.04Å; F26-A40 HydrophobicContact CE1-CB 4.15Å |
| 27 | A | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.2 | -178 | 0 | 0 | 0 | 0 | 0 | 108.3 | V17 D18 I35 G36 I37 V59 F61 | V17-A27 CarbonylContact C-O 3.45Å; V17-A27 VanDerWaalsContact CA-O 3.24Å; V17-A27 WeakPolarHBondContact CA-O 3.02Å; V17-A27 WeakPolarHBondContact CG2-O 3.43Å; D18-A27 PolarHBondContact N-O 2.84Å; D18-A27 PolarHBondContact O-N 2.86Å; A27-I35 HydrophobicContact CB-CG2 4.28Å; A27-G36 CarbonylContact C-O 3.49Å; A27-G36 VanDerWaalsContact CA-O 3.23Å; A27-G36 WeakPolarHBondContact CA-O 3.35Å; A27-I37 HydrophobicContact CB-CD1 3.77Å; A27-V59 HydrophobicContact CB-CG1 4.16Å; A27-V59 HydrophobicContact CB-CG2 4Å; A27-F61 HydrophobicContact CB-CD2 4.16Å; A27-F61 HydrophobicContact CB-CE2 3.3Å; A27-F61 HydrophobicContact CB-CZ 3.67Å; A27-F61 VanDerWaalsContact N-CE2 3.3Å |
| 28 | T | 95.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.8 | 170.7 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | H10 I14 C16 V17 F26 I35 G36 W38 | H10-T28 PolarHBondContact CD2-OG1 2.93Å; H10-T28 PolarHBondContact NE2-OG1 3.16Å; I14-T28 HydrophobicContact CG2-CG2 4.44Å; C16-T28 WeakPolarHBondContact O-CA 3.49Å; V17-T28 HydrophobicContact CB-CG2 4.39Å; V17-T28 HydrophobicContact CG2-CG2 4.08Å; F26-T28 HydrophobicContact CD2-CG2 4.01Å; F26-T28 HydrophobicContact CE2-CG2 3.78Å; T28-I35 CarbonylContact O-C 3.51Å; T28-I35 WeakPolarHBondContact O-CA 3.27Å; T28-G36 PolarHBondContact N-O 2.9Å; T28-G36 PolarHBondContact O-N 3.19Å; T28-W38 PolarHBondContact OG1-NE1 2.52Å |
| 29 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K15 C16 V34 I35 I56 V59 | K15-A29 PolarHBondContact N-O 2.64Å; C16-A29 PolarHBondContact N-O 2.74Å; C16-A29 VanDerWaalsContact N-O 3.1Å; C16-A29 PolarHBondContact O-N 2.92Å; A29-V34 WeakPolarHBondContact CA-O 3.49Å; A29-I35 HydrophobicContact CB-CG1 4.23Å; A29-I56 HydrophobicContact CB-CB 3.93Å; A29-I56 HydrophobicContact CB-CG2 3.54Å; A29-V59 HydrophobicContact CB-CB 3.92Å; A29-V59 HydrophobicContact CB-CG1 3.9Å |
| 30 | G | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | -167.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A13 D32 G33 I56 | A13-G30 CarbonylContact O-C 3.56Å; A13-G30 WeakPolarHBondContact O-CA 3.38Å; G30-D32 PolarHBondContact O-N 3.26Å; G30-G33 PolarHBondContact O-N 3.32Å; G30-G33 VanDerWaalsContact O-N 3.15Å; G30-I56 PolarHBondContact O-N 3.34Å |
| 31 | A | 93.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A13 G33 Q55 | A13-A31 HydrophobicContact CB-CB 4.44Å; A13-A31 PolarHBondContact O-N 3.28Å; A31-G33 VanDerWaalsContact C-N 3.32Å; A31-Q55 HydrophobicContact CB-CG 4.21Å |
| 32 | D | 91.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.2 | 174.2 | 54.6 | 2.8 | 0 | 0 | 0 | 113.6 | H10 C11 G12 G30 V34 | H10-D32 VanDerWaalsContact CA-OD2 3.26Å; H10-D32 WeakPolarHBondContact CA-OD2 3.48Å; H10-D32 WeakPolarHBondContact CB-OD2 3.02Å; H10-D32 IonicContact CE1-OD1 3.17Å; H10-D32 IonicContact CE1-OD2 2.84Å; H10-D32 IonicContact CG-OD2 2.79Å; H10-D32 VanDerWaalsContact ND1-CG 3.32Å; H10-D32 IonicContact ND1-OD1 3.74Å; H10-D32 PolarHBondContact ND1-OD1 2.96Å; H10-D32 IonicContact ND1-OD2 2.53Å; H10-D32 PolarHBondContact ND1-OD2 3.25Å; C11-D32 HydrophobicContact CB-CB 4.42Å; C11-D32 PolarHBondContact N-OD2 3.48Å; G12-D32 PolarHBondContact N-OD2 3.4Å; G30-D32 PolarHBondContact O-N 3.26Å; D32-V34 VanDerWaalsContact C-N 3.26Å; D32-V34 HydrophobicContact CB-CG2 4.41Å; D32-V34 PolarHBondContact O-N 2.89Å; D32-V34 PolarHBondContact OD1-N 3.04Å |
| 33 | G | 92.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 76.4 | 14.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G30 A31 D54 I56 | G30-G33 PolarHBondContact O-N 3.32Å; G30-G33 VanDerWaalsContact O-N 3.15Å; A31-G33 VanDerWaalsContact C-N 3.32Å; G33-D54 VanDerWaalsContact CA-O 3.29Å; G33-D54 WeakPolarHBondContact CA-O 3.25Å; G33-I56 WeakPolarHBondContact O-CD1 3.26Å |
| 34 | V | 93 | Very high | 92.6 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.7 | -173.4 | 177 | 0 | 0 | 0 | 0 | 110.7 | H10 A29 D32 T48 | H10-V34 PolarHBondContact CE1-O 2.68Å; A29-V34 WeakPolarHBondContact CA-O 3.49Å; D32-V34 VanDerWaalsContact C-N 3.26Å; D32-V34 HydrophobicContact CB-CG2 4.41Å; D32-V34 PolarHBondContact O-N 2.89Å; D32-V34 PolarHBondContact OD1-N 3.04Å; V34-T48 HydrophobicContact CG1-CG2 3.26Å |
| 35 | I | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.9 | 162.8 | -50.8 | 173.4 | 0 | 0 | 0 | 108.4 | A27 T28 A29 I37 L49 I56 V59 V68 | A27-I35 HydrophobicContact CB-CG2 4.28Å; T28-I35 CarbonylContact O-C 3.51Å; T28-I35 WeakPolarHBondContact O-CA 3.27Å; A29-I35 HydrophobicContact CB-CG1 4.23Å; I35-I37 HydrophobicContact CG2-CD1 3.98Å; I35-L49 HydrophobicContact CB-CB 4.17Å; I35-L49 PolarHBondContact N-O 2.71Å; I35-L49 PolarHBondContact O-N 2.85Å; I35-I56 HydrophobicContact CD1-CD1 4.16Å; I35-I56 HydrophobicContact CG1-CD1 3.5Å; I35-I56 VanDerWaalsContact CG1-CD1 3.5Å; I35-V59 HydrophobicContact CD1-CG2 4.41Å; I35-V59 HydrophobicContact CG2-CG2 4.09Å; I35-V68 HydrophobicContact CD1-CG2 4.45Å |
| 36 | G | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A27 T28 W38 | A27-G36 CarbonylContact C-O 3.49Å; A27-G36 VanDerWaalsContact CA-O 3.23Å; A27-G36 WeakPolarHBondContact CA-O 3.35Å; T28-G36 PolarHBondContact N-O 2.9Å; T28-G36 PolarHBondContact O-N 3.19Å; G36-W38 VanDerWaalsContact O-CD1 3.29Å; G36-W38 PolarHBondContact O-NE1 3.29Å |
| 37 | I | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.1 | 171.3 | -51.7 | -60.9 | 0 | 0 | 0 | 108.1 | K25 A27 I35 S46 K47 L49 F61 V68 I82 | K25-I37 HydrophobicContact CD-CG2 4.06Å; A27-I37 HydrophobicContact CB-CD1 3.77Å; I35-I37 HydrophobicContact CG2-CD1 3.98Å; I37-S46 PolarHBondContact O-N 2.98Å; I37-S46 PolarHBondContact O-OG 2.82Å; I37-K47 HydrophobicContact CB-CB 4.18Å; I37-K47 HydrophobicContact CG1-CB 4.43Å; I37-K47 PolarHBondContact N-O 2.83Å; I37-K47 PolarHBondContact O-N 3.3Å; I37-K47 VanDerWaalsContact O-N 3.16Å; I37-L49 HydrophobicContact CD1-CD1 4.38Å; I37-L49 HydrophobicContact CG1-CD1 4.24Å; I37-F61 HydrophobicContact CD1-CZ 4.28Å; I37-V68 HydrophobicContact CD1-CG1 4.36Å; I37-I82 HydrophobicContact CG1-CG2 4.22Å; I37-I82 HydrophobicContact CG2-CG2 4.35Å |
| 38 | W | 94.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.045 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.7 | -169.3 | -55.5 | 86.8 | 0 | 0 | 0 | 111 | M7 K25 F26 T28 G36 I44 C45 | M7-W38 HydrophobicContact CB-CE3 3.9Å; M7-W38 HydrophobicContact CB-CH2 4.14Å; M7-W38 HydrophobicContact CB-CZ3 3.64Å; M7-W38 HydrophobicContact CG-CE3 3.98Å; M7-W38 HydrophobicContact CG-CZ3 4.09Å; M7-W38 HydrophobicContact SD-CB 4.35Å; M7-W38 HydrophobicContact SD-CD2 4.16Å; M7-W38 HydrophobicContact SD-CE3 3.71Å; M7-W38 HydrophobicContact SD-CG 4.44Å; M7-W38 HydrophobicContact SD-CZ3 4.41Å; K25-W38 WeakPolarHBondContact CA-O 3.13Å; K25-W38 WeakPolarHBondContact CB-O 3.37Å; F26-W38 HydrophobicContact CD1-CB 4.04Å; F26-W38 HydrophobicContact CD2-CB 4.23Å; F26-W38 AromaticContact CD2-CD1 3.92Å; F26-W38 HydrophobicContact CD2-CG 4.32Å; F26-W38 HydrophobicContact CE1-CB 3.4Å; F26-W38 VanDerWaalsContact CE1-CB 3.4Å; F26-W38 HydrophobicContact CE1-CG 4.2Å; F26-W38 HydrophobicContact CE2-CB 3.64Å; F26-W38 AromaticContact CE2-CD1 3.36Å; F26-W38 HydrophobicContact CE2-CD2 4.43Å; F26-W38 AromaticContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CG-CB 4.37Å; F26-W38 HydrophobicContact CZ-CB 3.12Å; F26-W38 AromaticContact CZ-CD1 3.77Å; F26-W38 HydrophobicContact CZ-CD2 4.24Å; F26-W38 AromaticContact CZ-CG 3.42Å; F26-W38 HydrophobicContact CZ-CG 3.42Å; F26-W38 VanDerWaalsContact CZ-CG 3.42Å; F26-W38 PolarHBondContact N-O 2.85Å; F26-W38 VanDerWaalsContact N-O 3.13Å; F26-W38 PolarHBondContact O-N 2.99Å; T28-W38 PolarHBondContact OG1-NE1 2.52Å; G36-W38 VanDerWaalsContact O-CD1 3.29Å; G36-W38 PolarHBondContact O-NE1 3.29Å; W38-I44 WeakPolarHBondContact CA-O 3.28Å; W38-C45 HydrophobicContact CD2-CB 4.25Å; W38-C45 VanDerWaalsContact CE3-CA 3.48Å; W38-C45 HydrophobicContact CE3-CB 3.68Å; W38-C45 HydrophobicContact CH2-CB 3.83Å; W38-C45 HydrophobicContact CZ2-CB 4.39Å; W38-C45 HydrophobicContact CZ3-CB 3.44Å; W38-C45 VanDerWaalsContact CZ3-CB 3.44Å |
| 39 | D | 92.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.193 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117 | 166.3 | -179.6 | -41.3 | 0 | 0 | 0 | 108.3 | N41 H42 I43 I44 | D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.46Å; D39-N41 WeakPolarHBondContact OD1-CA 3.45Å; D39-N41 WeakPolarHBondContact OD1-CB 3.38Å; D39-N41 PolarHBondContact OD1-N 3.08Å; D39-H42 HydrophobicContact CB-CB 4.47Å; D39-H42 VanDerWaalsContact CG-ND1 3.26Å; D39-H42 IonicContact OD1-CG 3.42Å; D39-H42 PolarHBondContact OD1-N 2.91Å; D39-H42 IonicContact OD1-ND1 3.96Å; D39-H42 PolarHBondContact OD1-ND1 2.98Å; D39-H42 IonicContact OD2-CE1 3.72Å; D39-H42 IonicContact OD2-CG 2.8Å; D39-H42 IonicContact OD2-ND1 2.7Å; D39-H42 PolarHBondContact OD2-ND1 3.02Å; D39-I43 WeakPolarHBondContact O-CA 3.16Å; D39-I43 PolarHBondContact O-N 3.05Å; D39-I44 HydrophobicContact CB-CG1 3.89Å; D39-I44 PolarHBondContact N-O 2.95Å; D39-I44 PolarHBondContact O-N 2.89Å |
| 40 | A | 89.1 | Confident | 91.1 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | D24 F26 | D24-A40 VanDerWaalsContact O-CB 3.32Å; D24-A40 WeakPolarHBondContact O-CB 3.29Å; D24-A40 PolarHBondContact O-N 2.78Å; F26-A40 HydrophobicContact CD1-CB 4.04Å; F26-A40 HydrophobicContact CE1-CB 4.15Å |
| 41 | N | 89.1 | Confident | 89.9 | Confident | 103 Ų | 103 | 49.8 Ų | 49.8 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -43.4 | -177.7 | -70.5 | -37.9 | 0 | 0 | 0 | 111.6 | D24 D39 | D24-N41 VanDerWaalsContact CB-ND2 3.25Å; D24-N41 WeakPolarHBondContact CB-ND2 3.4Å; D24-N41 VanDerWaalsContact CG-ND2 3.35Å; D24-N41 PolarHBondContact OD2-ND2 3.41Å; D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.46Å; D39-N41 WeakPolarHBondContact OD1-CA 3.45Å; D39-N41 WeakPolarHBondContact OD1-CB 3.38Å; D39-N41 PolarHBondContact OD1-N 3.08Å |
| 42 | H | 88.3 | Confident | 88.8 | Confident | 129 Ų | 129 | 49.2 Ų | 49.2 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -12.4 | -176.5 | -59 | 99.6 | 0 | 0 | 0 | 113.1 | D39 I44 | D39-H42 HydrophobicContact CB-CB 4.47Å; D39-H42 VanDerWaalsContact CG-ND1 3.26Å; D39-H42 IonicContact OD1-CG 3.42Å; D39-H42 PolarHBondContact OD1-N 2.91Å; D39-H42 IonicContact OD1-ND1 3.96Å; D39-H42 PolarHBondContact OD1-ND1 2.98Å; D39-H42 IonicContact OD2-CE1 3.72Å; D39-H42 IonicContact OD2-CG 2.8Å; D39-H42 IonicContact OD2-ND1 2.7Å; D39-H42 PolarHBondContact OD2-ND1 3.02Å; H42-I44 VanDerWaalsContact C-N 3.31Å; H42-I44 HydrophobicContact CB-CD1 4.02Å; H42-I44 HydrophobicContact CB-CG1 3.91Å; H42-I44 HydrophobicContact CB-CG2 4.45Å; H42-I44 PolarHBondContact O-N 2.81Å |
| 43 | I | 87.7 | Confident | 88.3 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 43.6 | 176.3 | -41.9 | -174.4 | 0 | 0 | 0 | 110.2 | S5 M7 D39 | S5-I43 WeakPolarHBondContact OG-CD1 3.46Å; M7-I43 HydrophobicContact CG-CB 4.5Å; M7-I43 HydrophobicContact CG-CG2 3.34Å; M7-I43 HydrophobicContact SD-CG2 3.77Å; D39-I43 WeakPolarHBondContact O-CA 3.16Å; D39-I43 PolarHBondContact O-N 3.05Å |
| 44 | I | 90.4 | Very high | 88.1 | Confident | 91 Ų | 91 | 60 Ų | 60 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.4 | -178.1 | 61.1 | 176.7 | 0 | 0 | 0 | 111 | W38 D39 H42 S46 | W38-I44 WeakPolarHBondContact CA-O 3.28Å; D39-I44 HydrophobicContact CB-CG1 3.89Å; D39-I44 PolarHBondContact N-O 2.95Å; D39-I44 PolarHBondContact O-N 2.89Å; H42-I44 VanDerWaalsContact C-N 3.31Å; H42-I44 HydrophobicContact CB-CD1 4.02Å; H42-I44 HydrophobicContact CB-CG1 3.91Å; H42-I44 HydrophobicContact CB-CG2 4.45Å; H42-I44 PolarHBondContact O-N 2.81Å; I44-S46 PolarHBondContact O-N 3.36Å |
| 45 | C | 91.2 | Very high | 88 | Confident | 56 Ų | 56 | 62 Ų | 62 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 108.2 | 167.6 | -164 | 0 | 0 | 0 | 0 | 108.1 | W38 K47 | W38-C45 HydrophobicContact CD2-CB 4.25Å; W38-C45 VanDerWaalsContact CE3-CA 3.48Å; W38-C45 HydrophobicContact CE3-CB 3.68Å; W38-C45 HydrophobicContact CH2-CB 3.83Å; W38-C45 HydrophobicContact CZ2-CB 4.39Å; W38-C45 HydrophobicContact CZ3-CB 3.44Å; W38-C45 VanDerWaalsContact CZ3-CB 3.44Å; C45-K47 PolarHBondContact SG-O 2.7Å |
| 46 | S | 90.4 | Very high | 88.1 | Confident | 64 Ų | 64 | 62 Ų | 62 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -33.1 | 179.1 | 67.6 | 0 | 0 | 0 | 0 | 112 | I37 I44 | I37-S46 PolarHBondContact O-N 2.98Å; I37-S46 PolarHBondContact O-OG 2.82Å; I44-S46 PolarHBondContact O-N 3.36Å |
| 47 | K | 90.8 | Very high | 88.1 | Confident | 63 Ų | 63 | 64 Ų | 64 | 27% | 0.274 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 150.4 | -179.2 | -160.9 | 165.4 | -175.1 | -179.1 | 0 | 111.7 | I37 C45 L49 I82 K83 G85 | I37-K47 HydrophobicContact CB-CB 4.18Å; I37-K47 HydrophobicContact CG1-CB 4.43Å; I37-K47 PolarHBondContact N-O 2.83Å; I37-K47 PolarHBondContact O-N 3.3Å; I37-K47 VanDerWaalsContact O-N 3.16Å; C45-K47 PolarHBondContact SG-O 2.7Å; K47-L49 HydrophobicContact CD-CD2 4.09Å; K47-L49 HydrophobicContact CG-CD2 4.2Å; K47-I82 VanDerWaalsContact CD-O 3.31Å; K47-I82 WeakPolarHBondContact CD-O 3.21Å; K47-I82 WeakPolarHBondContact CE-O 3.38Å; K47-I82 PolarHBondContact NZ-O 3.19Å; K47-K83 PolarHBondContact NZ-O 3.2Å; K47-G85 VanDerWaalsContact NZ-N 3.18Å |
| 48 | T | 91.6 | Very high | 88.1 | Confident | 79 Ų | 79 | 64 Ų | 64 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.1 | 173.3 | -50.5 | 0 | 0 | 0 | 0 | 108.5 | V34 | V34-T48 HydrophobicContact CG1-CG2 3.26Å |
| 49 | L | 88.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.1 | 177.1 | -50.2 | 171 | 0 | 0 | 0 | 108.4 | I35 I37 K47 V68 T80 | I35-L49 HydrophobicContact CB-CB 4.17Å; I35-L49 PolarHBondContact N-O 2.71Å; I35-L49 PolarHBondContact O-N 2.85Å; I37-L49 HydrophobicContact CD1-CD1 4.38Å; I37-L49 HydrophobicContact CG1-CD1 4.24Å; K47-L49 HydrophobicContact CD-CD2 4.09Å; K47-L49 HydrophobicContact CG-CD2 4.2Å; L49-V68 HydrophobicContact CD1-CG2 4.03Å; L49-T80 HydrophobicContact CD1-CG2 3.91Å; L49-T80 HydrophobicContact CD2-CG2 4.37Å |
| 50 | C | 79.3 | Confident | 88.3 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 96.3 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 51 | W | 68.7 | Low | 88.6 | Confident | 103 Ų | 103 | 61 Ų | 61 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | trans | -113.5 | -43.8 | -176 | -59 | 123.2 | 0 | 0 | 0 | 112.8 | T80 G85 | W51-T80 HydrophobicContact CZ2-CG2 3.93Å; W51-T80 PolarHBondContact NE1-OG1 3.4Å; W51-G85 WeakPolarHBondContact CH2-O 3.35Å; W51-G85 VanDerWaalsContact CZ2-C 3.44Å; W51-G85 WeakPolarHBondContact CZ2-O 3.24Å | ||
| 52 | F | 71.5 | Confident | 88.8 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | trans | -97.9 | 134.7 | -172.5 | -60.7 | -66.9 | 0 | 0 | 0 | 110 | I56 S70 T72 K76 D78 | F52-I56 HydrophobicContact CB-CG1 4.27Å; F52-I56 HydrophobicContact CD2-CD1 3.8Å; F52-I56 HydrophobicContact CD2-CG1 3.73Å; F52-I56 HydrophobicContact CG-CG1 4.44Å; F52-S70 WeakPolarHBondContact CE2-OG 3.37Å; F52-T72 HydrophobicContact CB-CG2 3.73Å; F52-T72 HydrophobicContact CD1-CG2 3.32Å; F52-T72 HydrophobicContact CD2-CG2 3.57Å; F52-T72 HydrophobicContact CE1-CG2 3.65Å; F52-T72 HydrophobicContact CE2-CG2 3.86Å; F52-T72 HydrophobicContact CG-CG2 3.24Å; F52-T72 HydrophobicContact CZ-CG2 3.87Å; F52-K76 HydrophobicContact CD1-CD 4.44Å; F52-K76 HydrophobicContact CE1-CB 3.89Å; F52-K76 HydrophobicContact CE1-CD 4.09Å; F52-K76 HydrophobicContact CZ-CB 4.44Å; F52-D78 HydrophobicContact CE1-CB 4.25Å; F52-D78 HydrophobicContact CE2-CB 3.8Å; F52-D78 HydrophobicContact CZ-CB 3.31Å | ||
| 53 | K | 81.6 | Confident | 88.9 | Confident | 213 Ų | 213 | 52.5 Ų | 52.5 | 93% | 0.926 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -76.8 | -10.1 | 161.9 | -66 | -173.3 | 179 | -177.8 | 0 | 111.8 | ||
| 54 | D | 87.5 | Confident | 89.1 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -101.4 | 166.4 | -176.9 | -55.4 | -41 | 0 | 0 | 0 | 110.7 | G33 I56 T72 T74 | G33-D54 VanDerWaalsContact CA-O 3.29Å; G33-D54 WeakPolarHBondContact CA-O 3.25Å; D54-I56 PolarHBondContact O-N 3.45Å; D54-T72 HydrophobicContact CB-CG2 4.24Å; D54-T74 HydrophobicContact CB-CG2 3.92Å; D54-T74 VanDerWaalsContact CG-CG2 3.41Å; D54-T74 WeakPolarHBondContact OD2-CB 3.37Å; D54-T74 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T74 PolarHBondContact OD2-OG1 2.94Å |
| 55 | Q | 92.2 | Very high | 89.2 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 132.2 | 179.4 | -57.5 | -169.6 | 9.1 | 0 | 0 | 110.2 | A31 T72 D73 | A31-Q55 HydrophobicContact CB-CG 4.21Å; Q55-T72 VanDerWaalsContact O-CA 3.25Å; Q55-T72 WeakPolarHBondContact O-CA 3.22Å; Q55-T72 WeakPolarHBondContact O-CB 3.25Å; Q55-D73 PolarHBondContact O-N 2.88Å |
| 56 | I | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.8 | 172.1 | -53.3 | 177.5 | 0 | 0 | 0 | 107.6 | A29 G30 G33 I35 F52 D54 G58 | A29-I56 HydrophobicContact CB-CB 3.93Å; A29-I56 HydrophobicContact CB-CG2 3.54Å; G30-I56 PolarHBondContact O-N 3.34Å; G33-I56 WeakPolarHBondContact O-CD1 3.26Å; I35-I56 HydrophobicContact CD1-CD1 4.16Å; I35-I56 HydrophobicContact CG1-CD1 3.5Å; I35-I56 VanDerWaalsContact CG1-CD1 3.5Å; F52-I56 HydrophobicContact CB-CG1 4.27Å; F52-I56 HydrophobicContact CD2-CD1 3.8Å; F52-I56 HydrophobicContact CD2-CG1 3.73Å; F52-I56 HydrophobicContact CG-CG1 4.44Å; D54-I56 PolarHBondContact O-N 3.45Å; I56-G58 WeakPolarHBondContact CG2-O 3.35Å |
| 57 | E | 94.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -23.5 | -175.8 | -71.9 | -66.7 | 124.3 | 0 | 0 | 112 | K15 Y71 D73 | K15-E57 IonicContact NZ-OE1 3.27Å; K15-E57 PolarHBondContact NZ-OE1 2.8Å; K15-E57 IonicContact NZ-OE2 3.06Å; E57-Y71 HydrophobicContact CB-CD2 3.9Å; E57-Y71 HydrophobicContact CB-CE2 3.41Å; E57-Y71 VanDerWaalsContact CB-CE2 3.41Å; E57-Y71 PolarHBondContact N-O 2.9Å; E57-D73 HydrophobicContact CG-CB 4.04Å |
| 58 | G | 94.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 156.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | I56 S70 Y71 | I56-G58 WeakPolarHBondContact CG2-O 3.35Å; G58-S70 VanDerWaalsContact O-CA 3.25Å; G58-S70 WeakPolarHBondContact O-CA 3.25Å; G58-Y71 PolarHBondContact O-N 2.82Å; G58-Y71 VanDerWaalsContact O-N 3.08Å |
| 59 | V | 95.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.4 | 175.9 | 64 | 0 | 0 | 0 | 0 | 108.7 | C16 A27 A29 I35 V68 A69 | C16-V59 HydrophobicContact CB-CG1 4.3Å; C16-V59 PolarHBondContact SG-N 2.96Å; A27-V59 HydrophobicContact CB-CG1 4.16Å; A27-V59 HydrophobicContact CB-CG2 4Å; A29-V59 HydrophobicContact CB-CB 3.92Å; A29-V59 HydrophobicContact CB-CG1 3.9Å; I35-V59 HydrophobicContact CD1-CG2 4.41Å; I35-V59 HydrophobicContact CG2-CG2 4.09Å; V59-V68 HydrophobicContact CG2-CB 4.07Å; V59-V68 HydrophobicContact CG2-CG1 4.31Å; V59-A69 CarbonylContact C-O 3.54Å; V59-A69 VanDerWaalsContact CA-O 3.25Å; V59-A69 WeakPolarHBondContact CA-O 3.35Å |
| 60 | S | 95.6 | Very high | 90 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 138.7 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | D18 V68 A69 W102 | D18-S60 WeakPolarHBondContact OD2-CA 3.03Å; D18-S60 PolarHBondContact OD2-OG 2.88Å; S60-V68 CarbonylContact O-C 3.52Å; S60-V68 WeakPolarHBondContact O-CA 3.41Å; S60-A69 PolarHBondContact N-O 2.77Å; S60-A69 PolarHBondContact O-N 3.29Å; S60-W102 VanDerWaalsContact O-CD1 3.24Å; S60-W102 PolarHBondContact O-NE1 3.13Å |
| 61 | F | 95.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 143.9 | 177.1 | -83.2 | -87.3 | 0 | 0 | 0 | 113.1 | D18 D20 A27 I37 V68 I82 W102 | D18-F61 HydrophobicContact CB-CD2 4.29Å; D18-F61 WeakPolarHBondContact O-CE2 3.43Å; D18-F61 PolarHBondContact OD2-N 2.59Å; D20-F61 HydrophobicContact CB-CD1 3.92Å; D20-F61 HydrophobicContact CB-CD2 4.23Å; D20-F61 HydrophobicContact CB-CE1 3.79Å; D20-F61 HydrophobicContact CB-CE2 4.11Å; D20-F61 HydrophobicContact CB-CG 4.13Å; D20-F61 HydrophobicContact CB-CZ 3.91Å; A27-F61 HydrophobicContact CB-CD2 4.16Å; A27-F61 HydrophobicContact CB-CE2 3.3Å; A27-F61 HydrophobicContact CB-CZ 3.67Å; A27-F61 VanDerWaalsContact N-CE2 3.3Å; I37-F61 HydrophobicContact CD1-CZ 4.28Å; F61-V68 HydrophobicContact CD1-CG1 3.75Å; F61-V68 HydrophobicContact CD2-CG1 4.46Å; F61-V68 HydrophobicContact CE1-CG1 3.82Å; F61-V68 HydrophobicContact CE2-CG1 4.5Å; F61-V68 HydrophobicContact CG-CG1 4.1Å; F61-V68 HydrophobicContact CZ-CG1 4.19Å; F61-I82 HydrophobicContact CD1-CD1 3.8Å; F61-I82 HydrophobicContact CE1-CD1 3.3Å; F61-I82 HydrophobicContact CZ-CD1 4.32Å; F61-W102 VanDerWaalsContact O-CB 3.3Å; F61-W102 WeakPolarHBondContact O-CB 2.95Å; F61-W102 VanDerWaalsContact O-CG 3.27Å |
| 62 | S | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -64.9 | 156.6 | 159.9 | 61.8 | 0 | 0 | 0 | 0 | 111 | D64 G65 K66 V67 | S62-D64 PolarHBondContact O-N 2.93Å; S62-D64 PolarHBondContact OG-OD1 2.85Å; S62-G65 PolarHBondContact O-N 2.8Å; S62-K66 PolarHBondContact OG-N 2.87Å; S62-V67 VanDerWaalsContact CB-CG2 3.44Å; S62-V67 PolarHBondContact N-O 3.18Å; S62-V67 WeakPolarHBondContact OG-CG2 3.48Å; S62-V67 PolarHBondContact OG-N 3.46Å; S62-V67 PolarHBondContact OG-O 3.37Å | ||
| 63 | H | 92 | Very high | 92.7 | Very high | 53 Ų | 53 | 33 Ų | 33 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.5 | 179.8 | 71.6 | 87.6 | 0 | 0 | 0 | 115.1 | P104 T106 Y107 | H63-P104 WeakPolarHBondContact CB-O 3.23Å; H63-T106 PolarHBondContact CD2-N 2.71Å; H63-Y107 AromaticContact NE2-CD2 3.63Å; H63-Y107 AromaticContact NE2-CE2 3.68Å |
| 64 | D | 91.5 | Very high | 93 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 18% | 0.176 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 9.4 | 179.7 | 74.1 | -17 | 0 | 0 | 0 | 113.8 | S22 S62 K66 Y107 | S22-D64 VanDerWaalsContact OG-C 3.31Å; S22-D64 PolarHBondContact OG-O 2.88Å; S62-D64 PolarHBondContact O-N 2.93Å; S62-D64 PolarHBondContact OG-OD1 2.85Å; D64-K66 PolarHBondContact O-N 3.48Å; D64-K66 PolarHBondContact OD1-N 3.06Å; D64-K66 VanDerWaalsContact OD2-CD 3.25Å; D64-K66 WeakPolarHBondContact OD2-CD 3.26Å; D64-K66 VanDerWaalsContact OD2-CE 3.27Å; D64-K66 WeakPolarHBondContact OD2-CE 3.33Å; D64-K66 IonicContact OD2-NZ 2.9Å; D64-K66 PolarHBondContact OD2-NZ 3.36Å; D64-Y107 PolarHBondContact OD1-OH 3.43Å; D64-Y107 PolarHBondContact OD2-OH 2.81Å |
| 65 | G | 92.5 | Very high | 93 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 12% | 0.124 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 67 | 8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D20 S22 S62 I82 | D20-G65 VanDerWaalsContact OD1-CA 3.25Å; D20-G65 WeakPolarHBondContact OD1-CA 3.28Å; D20-G65 WeakPolarHBondContact OD2-CA 3.08Å; S22-G65 WeakPolarHBondContact OG-CA 3.25Å; S22-G65 PolarHBondContact OG-N 3.15Å; S62-G65 PolarHBondContact O-N 2.8Å; G65-I82 VanDerWaalsContact O-CD1 3.26Å; G65-I82 WeakPolarHBondContact O-CD1 3.35Å |
| 66 | K | 92.5 | Very high | 93 | Very high | 90 Ų | 90 | 26.5 Ų | 26.5 | 39% | 0.391 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -86.6 | -30.3 | -176 | -66.4 | -174.9 | -162.4 | 135 | 0 | 113.6 | S62 D64 H81 I82 | S62-K66 PolarHBondContact OG-N 2.87Å; D64-K66 PolarHBondContact O-N 3.48Å; D64-K66 PolarHBondContact OD1-N 3.06Å; D64-K66 VanDerWaalsContact OD2-CD 3.25Å; D64-K66 WeakPolarHBondContact OD2-CD 3.26Å; D64-K66 VanDerWaalsContact OD2-CE 3.27Å; D64-K66 WeakPolarHBondContact OD2-CE 3.33Å; D64-K66 IonicContact OD2-NZ 2.9Å; D64-K66 PolarHBondContact OD2-NZ 3.36Å; K66-H81 PolarHBondContact O-CD2 2.74Å; K66-I82 PolarHBondContact O-N 2.86Å |
| 67 | V | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.6 | -179.4 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | S62 V79 T80 H81 W102 Y107 | S62-V67 VanDerWaalsContact CB-CG2 3.44Å; S62-V67 PolarHBondContact N-O 3.18Å; S62-V67 WeakPolarHBondContact OG-CG2 3.48Å; S62-V67 PolarHBondContact OG-N 3.46Å; S62-V67 PolarHBondContact OG-O 3.37Å; V67-V79 HydrophobicContact CB-CG1 3.91Å; V67-V79 HydrophobicContact CG1-CG1 4.5Å; V67-V79 HydrophobicContact CG2-CG1 3.96Å; V67-T80 CarbonylContact C-O 3.5Å; V67-T80 WeakPolarHBondContact CA-O 3.44Å; V67-T80 WeakPolarHBondContact CB-O 3.39Å; V67-H81 HydrophobicContact CG1-CB 4.29Å; V67-W102 HydrophobicContact CG2-CH2 3.95Å; V67-W102 HydrophobicContact CG2-CZ2 3.73Å; V67-Y107 HydrophobicContact CG2-CD1 4.38Å; V67-Y107 HydrophobicContact CG2-CE1 3.88Å |
| 68 | V | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.5 | 166.8 | -71.7 | 0 | 0 | 0 | 0 | 108.7 | I35 I37 L49 V59 S60 F61 V79 T80 I82 | I35-V68 HydrophobicContact CD1-CG2 4.45Å; I37-V68 HydrophobicContact CD1-CG1 4.36Å; L49-V68 HydrophobicContact CD1-CG2 4.03Å; V59-V68 HydrophobicContact CG2-CB 4.07Å; V59-V68 HydrophobicContact CG2-CG1 4.31Å; S60-V68 CarbonylContact O-C 3.52Å; S60-V68 WeakPolarHBondContact O-CA 3.41Å; F61-V68 HydrophobicContact CD1-CG1 3.75Å; F61-V68 HydrophobicContact CD2-CG1 4.46Å; F61-V68 HydrophobicContact CE1-CG1 3.82Å; F61-V68 HydrophobicContact CE2-CG1 4.5Å; F61-V68 HydrophobicContact CG-CG1 4.1Å; F61-V68 HydrophobicContact CZ-CG1 4.19Å; V68-V79 CarbonylContact O-C 3.56Å; V68-V79 VanDerWaalsContact O-CA 3.28Å; V68-V79 WeakPolarHBondContact O-CA 3.19Å; V68-T80 PolarHBondContact N-O 3.02Å; V68-T80 PolarHBondContact O-N 3.41Å; V68-I82 HydrophobicContact CG1-CD1 3.73Å; V68-I82 HydrophobicContact CG1-CG1 4.08Å; V68-I82 HydrophobicContact CG2-CG1 4.33Å |
| 69 | A | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 143.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V59 S60 D78 V79 I100 W102 L109 | V59-A69 CarbonylContact C-O 3.54Å; V59-A69 VanDerWaalsContact CA-O 3.25Å; V59-A69 WeakPolarHBondContact CA-O 3.35Å; S60-A69 PolarHBondContact N-O 2.77Å; S60-A69 PolarHBondContact O-N 3.29Å; A69-D78 CarbonylContact C-O 3.57Å; A69-D78 WeakPolarHBondContact CA-O 3.47Å; A69-V79 HydrophobicContact CB-CG2 4.07Å; A69-I100 HydrophobicContact CB-CD1 3.7Å; A69-I100 VanDerWaalsContact O-CD1 3.28Å; A69-I100 WeakPolarHBondContact O-CD1 3.36Å; A69-W102 HydrophobicContact CB-CZ2 3.81Å; A69-W102 VanDerWaalsContact CB-NE1 3.28Å; A69-L109 HydrophobicContact CB-CD1 4.01Å; A69-L109 HydrophobicContact CB-CD2 3.46Å; A69-L109 VanDerWaalsContact CB-CD2 3.46Å; A69-L109 HydrophobicContact CB-CG 4.45Å |
| 70 | S | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.3 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | F52 G58 I77 D78 | F52-S70 WeakPolarHBondContact CE2-OG 3.37Å; G58-S70 VanDerWaalsContact O-CA 3.25Å; G58-S70 WeakPolarHBondContact O-CA 3.25Å; S70-I77 CarbonylContact O-C 3.56Å; S70-I77 VanDerWaalsContact O-CA 3.28Å; S70-I77 WeakPolarHBondContact O-CA 3.2Å; S70-D78 PolarHBondContact N-O 3.37Å; S70-D78 PolarHBondContact O-N 3.41Å; S70-D78 PolarHBondContact OG-O 2.81Å |
| 71 | Y | 94.5 | Very high | 92.4 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.3 | 178.2 | 68.1 | -89.6 | 0 | 0 | 0 | 113 | E57 G58 K76 V97 T98 I100 | E57-Y71 HydrophobicContact CB-CD2 3.9Å; E57-Y71 HydrophobicContact CB-CE2 3.41Å; E57-Y71 VanDerWaalsContact CB-CE2 3.41Å; E57-Y71 PolarHBondContact N-O 2.9Å; G58-Y71 PolarHBondContact O-N 2.82Å; G58-Y71 VanDerWaalsContact O-N 3.08Å; Y71-K76 CarbonylContact C-O 3.53Å; Y71-K76 WeakPolarHBondContact CA-O 3.28Å; Y71-K76 WeakPolarHBondContact CB-O 3.45Å; Y71-V97 HydrophobicContact CD1-CG1 3.88Å; Y71-V97 HydrophobicContact CD2-CB 3.6Å; Y71-V97 HydrophobicContact CD2-CG1 3.53Å; Y71-V97 HydrophobicContact CE1-CG1 4.22Å; Y71-V97 HydrophobicContact CE2-CB 4.17Å; Y71-V97 HydrophobicContact CE2-CG1 3.9Å; Y71-V97 HydrophobicContact CG-CB 3.94Å; Y71-V97 HydrophobicContact CG-CG1 3.51Å; Y71-T98 PolarHBondContact OH-O 3.16Å; Y71-I100 HydrophobicContact CD1-CB 4.22Å; Y71-I100 HydrophobicContact CD1-CD1 3.78Å; Y71-I100 HydrophobicContact CD1-CG1 3.72Å; Y71-I100 HydrophobicContact CD1-CG2 3.58Å; Y71-I100 HydrophobicContact CE1-CB 4.36Å; Y71-I100 HydrophobicContact CE1-CD1 4.25Å; Y71-I100 HydrophobicContact CE1-CG1 3.77Å; Y71-I100 HydrophobicContact CE1-CG2 4.04Å; Y71-I100 HydrophobicContact CG-CG2 4.36Å |
| 72 | T | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 163.9 | -179.9 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | F52 D54 Q55 T74 M75 K76 | F52-T72 HydrophobicContact CB-CG2 3.73Å; F52-T72 HydrophobicContact CD1-CG2 3.32Å; F52-T72 HydrophobicContact CD2-CG2 3.57Å; F52-T72 HydrophobicContact CE1-CG2 3.65Å; F52-T72 HydrophobicContact CE2-CG2 3.86Å; F52-T72 HydrophobicContact CG-CG2 3.24Å; F52-T72 HydrophobicContact CZ-CG2 3.87Å; D54-T72 HydrophobicContact CB-CG2 4.24Å; Q55-T72 VanDerWaalsContact O-CA 3.25Å; Q55-T72 WeakPolarHBondContact O-CA 3.22Å; Q55-T72 WeakPolarHBondContact O-CB 3.25Å; T72-T74 WeakPolarHBondContact CB-OG1 3.47Å; T72-T74 PolarHBondContact O-N 3.39Å; T72-T74 PolarHBondContact OG1-N 2.8Å; T72-T74 PolarHBondContact OG1-OG1 2.85Å; T72-M75 PolarHBondContact O-N 3.32Å; T72-K76 PolarHBondContact N-O 3.49Å; T72-K76 WeakPolarHBondContact OG1-CB 3.4Å; T72-K76 PolarHBondContact OG1-N 2.97Å |
| 73 | D | 87.2 | Confident | 92.1 | Very high | 67 Ų | 67 | 32 Ų | 32 | 36% | 0.358 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.2 | 165.8 | 65.9 | -18.4 | 0 | 0 | 0 | 112.9 | Q55 E57 M75 | Q55-D73 PolarHBondContact O-N 2.88Å; E57-D73 HydrophobicContact CG-CB 4.04Å; D73-M75 PolarHBondContact O-N 3.28Å |
| 74 | T | 88.2 | Confident | 92 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 21.2 | 176.6 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | D54 T72 K76 | D54-T74 HydrophobicContact CB-CG2 3.92Å; D54-T74 VanDerWaalsContact CG-CG2 3.41Å; D54-T74 WeakPolarHBondContact OD2-CB 3.37Å; D54-T74 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T74 PolarHBondContact OD2-OG1 2.94Å; T72-T74 WeakPolarHBondContact CB-OG1 3.47Å; T72-T74 PolarHBondContact O-N 3.39Å; T72-T74 PolarHBondContact OG1-N 2.8Å; T72-T74 PolarHBondContact OG1-OG1 2.85Å; T74-K76 PolarHBondContact O-N 3.48Å |
| 75 | M | 89.1 | Confident | 91.9 | Very high | 75 Ų | 75 | 31.3 Ų | 31.3 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 65.2 | 34.3 | 173 | -47.5 | -177 | 179.7 | 0 | 0 | 114.1 | T72 D73 P92 T93 Y95 | T72-M75 PolarHBondContact O-N 3.32Å; D73-M75 PolarHBondContact O-N 3.28Å; M75-P92 WeakPolarHBondContact O-CA 3.42Å; M75-T93 PolarHBondContact O-N 3.32Å; M75-T93 PolarHBondContact O-OG1 2.91Å; M75-Y95 WeakPolarHBondContact CB-O 3.18Å; M75-Y95 WeakPolarHBondContact CG-O 3.24Å; M75-Y95 VanDerWaalsContact SD-C 3.58Å; M75-Y95 VanDerWaalsContact SD-CA 3.57Å; M75-Y95 PolarHBondContact SD-N 2.97Å; M75-Y95 VanDerWaalsContact SD-N 3.41Å |
| 76 | K | 91.8 | Very high | 91.7 | Very high | 74 Ų | 74 | 33.9 Ų | 33.9 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.9 | 173.9 | -65.2 | -171 | 167.7 | -151.8 | 0 | 111.2 | F52 Y71 T72 T74 E90 | F52-K76 HydrophobicContact CD1-CD 4.44Å; F52-K76 HydrophobicContact CE1-CB 3.89Å; F52-K76 HydrophobicContact CE1-CD 4.09Å; F52-K76 HydrophobicContact CZ-CB 4.44Å; Y71-K76 CarbonylContact C-O 3.53Å; Y71-K76 WeakPolarHBondContact CA-O 3.28Å; Y71-K76 WeakPolarHBondContact CB-O 3.45Å; T72-K76 PolarHBondContact N-O 3.49Å; T72-K76 WeakPolarHBondContact OG1-CB 3.4Å; T72-K76 PolarHBondContact OG1-N 2.97Å; T74-K76 PolarHBondContact O-N 3.48Å; K76-E90 IonicContact NZ-OE1 3.74Å; K76-E90 PolarHBondContact NZ-OE1 3.04Å |
| 77 | I | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.6 | 166.9 | -64.6 | 176.8 | 0 | 0 | 0 | 108 | S70 E90 M91 T93 V97 I111 | S70-I77 CarbonylContact O-C 3.56Å; S70-I77 VanDerWaalsContact O-CA 3.28Å; S70-I77 WeakPolarHBondContact O-CA 3.2Å; I77-E90 WeakPolarHBondContact O-CA 3.26Å; I77-M91 PolarHBondContact N-O 3.49Å; I77-M91 PolarHBondContact O-N 3.17Å; I77-T93 HydrophobicContact CD1-CG2 3.49Å; I77-T93 VanDerWaalsContact CD1-CG2 3.49Å; I77-T93 HydrophobicContact CG1-CG2 3.81Å; I77-V97 HydrophobicContact CD1-CG2 3.96Å; I77-V97 HydrophobicContact CG1-CG2 4.08Å; I77-I111 HydrophobicContact CD1-CB 4.3Å; I77-I111 HydrophobicContact CD1-CD1 3.25Å; I77-I111 HydrophobicContact CD1-CG1 3.57Å; I77-I111 HydrophobicContact CD1-CG2 3.71Å |
| 78 | D | 92.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137 | 170.2 | 178.8 | 68.3 | 0 | 0 | 0 | 110 | F52 A69 S70 T80 S87 F89 | F52-D78 HydrophobicContact CE1-CB 4.25Å; F52-D78 HydrophobicContact CE2-CB 3.8Å; F52-D78 HydrophobicContact CZ-CB 3.31Å; A69-D78 CarbonylContact C-O 3.57Å; A69-D78 WeakPolarHBondContact CA-O 3.47Å; S70-D78 PolarHBondContact N-O 3.37Å; S70-D78 PolarHBondContact O-N 3.41Å; S70-D78 PolarHBondContact OG-O 2.81Å; D78-T80 PolarHBondContact OD2-OG1 2.8Å; D78-S87 WeakPolarHBondContact OD1-CB 3.31Å; D78-S87 PolarHBondContact OD1-OG 2.86Å; D78-F89 CarbonylContact C-O 3.56Å; D78-F89 WeakPolarHBondContact CA-O 3.25Å |
| 79 | V | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.5 | 166.6 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | V67 V68 A69 V88 F89 W102 F134 V136 | V67-V79 HydrophobicContact CB-CG1 3.91Å; V67-V79 HydrophobicContact CG1-CG1 4.5Å; V67-V79 HydrophobicContact CG2-CG1 3.96Å; V68-V79 CarbonylContact O-C 3.56Å; V68-V79 VanDerWaalsContact O-CA 3.28Å; V68-V79 WeakPolarHBondContact O-CA 3.19Å; A69-V79 HydrophobicContact CB-CG2 4.07Å; V79-V88 HydrophobicContact CB-CG2 4.04Å; V79-V88 HydrophobicContact CG1-CG2 3.73Å; V79-V88 VanDerWaalsContact O-CG2 3.23Å; V79-V88 WeakPolarHBondContact O-CG2 3.27Å; V79-V88 PolarHBondContact O-N 2.86Å; V79-F89 HydrophobicContact CB-CB 4.09Å; V79-F89 HydrophobicContact CG2-CB 4.33Å; V79-F89 HydrophobicContact CG2-CD1 4.09Å; V79-F89 PolarHBondContact N-O 2.87Å; V79-F89 PolarHBondContact O-N 3.01Å; V79-W102 HydrophobicContact CG1-CH2 4.17Å; V79-W102 HydrophobicContact CG1-CZ2 3.86Å; V79-W102 HydrophobicContact CG2-CZ2 4.23Å; V79-F134 HydrophobicContact CG2-CE2 4.31Å; V79-F134 HydrophobicContact CG2-CZ 4.38Å; V79-V136 HydrophobicContact CG2-CG2 4.49Å |
| 80 | T | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136 | -177.7 | -81.7 | 0 | 0 | 0 | 0 | 110.5 | L49 W51 V67 V68 D78 T86 | L49-T80 HydrophobicContact CD1-CG2 3.91Å; L49-T80 HydrophobicContact CD2-CG2 4.37Å; W51-T80 HydrophobicContact CZ2-CG2 3.93Å; W51-T80 PolarHBondContact NE1-OG1 3.4Å; V67-T80 CarbonylContact C-O 3.5Å; V67-T80 WeakPolarHBondContact CA-O 3.44Å; V67-T80 WeakPolarHBondContact CB-O 3.39Å; V68-T80 PolarHBondContact N-O 3.02Å; V68-T80 PolarHBondContact O-N 3.41Å; D78-T80 PolarHBondContact OD2-OG1 2.8Å; T80-T86 WeakPolarHBondContact CA-O 3.14Å |
| 81 | H | 92.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.6 | 168 | -176.3 | -106.7 | 0 | 0 | 0 | 110.4 | K66 V67 S84 G85 T86 V88 E141 | K66-H81 PolarHBondContact O-CD2 2.74Å; V67-H81 HydrophobicContact CG1-CB 4.29Å; H81-S84 WeakPolarHBondContact CB-OG 3.3Å; H81-S84 PolarHBondContact ND1-N 2.83Å; H81-S84 PolarHBondContact ND1-OG 3.28Å; H81-S84 PolarHBondContact O-OG 2.93Å; H81-G85 WeakPolarHBondContact O-CA 3.41Å; H81-G85 PolarHBondContact O-N 3.18Å; H81-T86 PolarHBondContact N-O 2.7Å; H81-T86 PolarHBondContact O-N 2.96Å; H81-V88 HydrophobicContact CB-CG1 3.92Å; H81-E141 IonicContact CE1-OE1 3.79Å; H81-E141 PolarHBondContact CE1-OE1 3.17Å; H81-E141 VanDerWaalsContact CE1-OE1 3.27Å |
| 82 | I | 91.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.087 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -44.4 | -167.8 | -60 | 179.2 | 0 | 0 | 0 | 111.2 | I37 K47 F61 G65 K66 V68 G85 | I37-I82 HydrophobicContact CG1-CG2 4.22Å; I37-I82 HydrophobicContact CG2-CG2 4.35Å; K47-I82 VanDerWaalsContact CD-O 3.31Å; K47-I82 WeakPolarHBondContact CD-O 3.21Å; K47-I82 WeakPolarHBondContact CE-O 3.38Å; K47-I82 PolarHBondContact NZ-O 3.19Å; F61-I82 HydrophobicContact CD1-CD1 3.8Å; F61-I82 HydrophobicContact CE1-CD1 3.3Å; F61-I82 HydrophobicContact CZ-CD1 4.32Å; G65-I82 VanDerWaalsContact O-CD1 3.26Å; G65-I82 WeakPolarHBondContact O-CD1 3.35Å; K66-I82 PolarHBondContact O-N 2.86Å; V68-I82 HydrophobicContact CG1-CD1 3.73Å; V68-I82 HydrophobicContact CG1-CG1 4.08Å; V68-I82 HydrophobicContact CG2-CG1 4.33Å; I82-G85 PolarHBondContact O-N 2.53Å |
| 83 | K | 89.9 | Confident | 89.8 | Confident | 154 Ų | 154 | 50.2 Ų | 50.2 | 67% | 0.67 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -49.3 | -175.6 | -65.9 | -176 | 176.2 | -179.7 | 0 | 112.4 | K47 G85 | K47-K83 PolarHBondContact NZ-O 3.2Å; K83-G85 VanDerWaalsContact C-N 3.33Å |
| 84 | S | 90.2 | Very high | 89.7 | Confident | 56 Ų | 56 | 50.2 Ų | 50.2 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -30.8 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | H81 T86 | H81-S84 WeakPolarHBondContact CB-OG 3.3Å; H81-S84 PolarHBondContact ND1-N 2.83Å; H81-S84 PolarHBondContact ND1-OG 3.28Å; H81-S84 PolarHBondContact O-OG 2.93Å; S84-T86 VanDerWaalsContact C-N 3.35Å; S84-T86 PolarHBondContact OG-N 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.42Å |
| 85 | G | 89.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 48.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K47 W51 H81 I82 K83 | K47-G85 VanDerWaalsContact NZ-N 3.18Å; W51-G85 WeakPolarHBondContact CH2-O 3.35Å; W51-G85 VanDerWaalsContact CZ2-C 3.44Å; W51-G85 WeakPolarHBondContact CZ2-O 3.24Å; H81-G85 WeakPolarHBondContact O-CA 3.41Å; H81-G85 PolarHBondContact O-N 3.18Å; I82-G85 PolarHBondContact O-N 2.53Å; K83-G85 VanDerWaalsContact C-N 3.33Å |
| 86 | T | 88.9 | Confident | 89.6 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | T80 H81 S84 V88 | T80-T86 WeakPolarHBondContact CA-O 3.14Å; H81-T86 PolarHBondContact N-O 2.7Å; H81-T86 PolarHBondContact O-N 2.96Å; S84-T86 VanDerWaalsContact C-N 3.35Å; S84-T86 PolarHBondContact OG-N 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.42Å; T86-V88 PolarHBondContact O-N 2.88Å |
| 87 | S | 90.3 | Very high | 89.6 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 127.6 | 165.8 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | D78 | D78-S87 WeakPolarHBondContact OD1-CB 3.31Å; D78-S87 PolarHBondContact OD1-OG 2.86Å |
| 88 | V | 89.6 | Confident | 89.6 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -17.4 | 174.1 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | V79 H81 T86 T139 | V79-V88 HydrophobicContact CB-CG2 4.04Å; V79-V88 HydrophobicContact CG1-CG2 3.73Å; V79-V88 VanDerWaalsContact O-CG2 3.23Å; V79-V88 WeakPolarHBondContact O-CG2 3.27Å; V79-V88 PolarHBondContact O-N 2.86Å; H81-V88 HydrophobicContact CB-CG1 3.92Å; T86-V88 PolarHBondContact O-N 2.88Å; V88-T139 HydrophobicContact CB-CG2 4.18Å; V88-T139 HydrophobicContact CG1-CG2 3.92Å; V88-T139 HydrophobicContact CG2-CG2 4.25Å |
| 89 | F | 87.1 | Confident | 89.6 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 125.6 | 177.8 | 176.9 | -93.8 | 0 | 0 | 0 | 110 | D78 V79 M91 F134 | D78-F89 CarbonylContact C-O 3.56Å; D78-F89 WeakPolarHBondContact CA-O 3.25Å; V79-F89 HydrophobicContact CB-CB 4.09Å; V79-F89 HydrophobicContact CG2-CB 4.33Å; V79-F89 HydrophobicContact CG2-CD1 4.09Å; V79-F89 PolarHBondContact N-O 2.87Å; V79-F89 PolarHBondContact O-N 3.01Å; F89-M91 HydrophobicContact CD1-CB 4.49Å; F89-M91 HydrophobicContact CE1-CB 3.55Å; F89-M91 HydrophobicContact CE1-CE 4.26Å; F89-M91 HydrophobicContact CZ-CB 3.62Å; F89-M91 HydrophobicContact CZ-CE 4.15Å; F89-M91 HydrophobicContact CZ-CG 4.33Å; F89-M91 HydrophobicContact CZ-SD 3.94Å; F89-F134 HydrophobicContact CD1-CE2 4.11Å; F89-F134 HydrophobicContact CE1-CD2 4.41Å; F89-F134 AromaticContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CZ 4.17Å; F89-F134 HydrophobicContact CZ-CE2 4.44Å |
| 90 | E | 88.9 | Confident | 89.6 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.3 | 168.9 | -174 | -178.1 | 172.3 | 0 | 0 | 108.5 | K76 I77 | K76-E90 IonicContact NZ-OE1 3.74Å; K76-E90 PolarHBondContact NZ-OE1 3.04Å; I77-E90 WeakPolarHBondContact O-CA 3.26Å |
| 91 | M | 86.6 | Confident | 89.7 | Confident | 52 Ų | 52 | 57 Ų | 57 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.8 | 174.8 | -177.7 | 172.7 | 64.6 | 0 | 0 | 112 | I77 F89 I111 | I77-M91 PolarHBondContact N-O 3.49Å; I77-M91 PolarHBondContact O-N 3.17Å; F89-M91 HydrophobicContact CD1-CB 4.49Å; F89-M91 HydrophobicContact CE1-CB 3.55Å; F89-M91 HydrophobicContact CE1-CE 4.26Å; F89-M91 HydrophobicContact CZ-CB 3.62Å; F89-M91 HydrophobicContact CZ-CE 4.15Å; F89-M91 HydrophobicContact CZ-CG 4.33Å; F89-M91 HydrophobicContact CZ-SD 3.94Å; M91-I111 HydrophobicContact CE-CD1 4.07Å |
| 92 | P | 88.7 | Confident | 89.8 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 67% | 0.669 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.7 | 162.5 | 30.5 | -31.2 | 0 | 0 | 0 | 109.3 | M75 | M75-P92 WeakPolarHBondContact O-CA 3.42Å |
| 93 | T | 84.9 | Confident | 89.8 | Confident | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | trans | -82.7 | -24.3 | 178.9 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | M75 I77 Y95 V97 | M75-T93 PolarHBondContact O-N 3.32Å; M75-T93 PolarHBondContact O-OG1 2.91Å; I77-T93 HydrophobicContact CD1-CG2 3.49Å; I77-T93 VanDerWaalsContact CD1-CG2 3.49Å; I77-T93 HydrophobicContact CG1-CG2 3.81Å; T93-Y95 WeakPolarHBondContact O-CD1 3.25Å; T93-Y95 WeakPolarHBondContact O-CE1 3.38Å; T93-Y95 PolarHBondContact O-N 3.1Å; T93-Y95 PolarHBondContact OG1-O 2.82Å; T93-V97 HydrophobicContact CG2-CG2 3.64Å | ||
| 94 | G | 86.1 | Confident | 89.8 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 68.6 | 6.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 95 | Y | 86.6 | Confident | 89.8 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 7% | 0.071 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -145.7 | 156.8 | 174.6 | 59.5 | -101.5 | 0 | 0 | 0 | 110.3 | M75 T93 V97 I111 L114 V130 Q132 | M75-Y95 WeakPolarHBondContact CB-O 3.18Å; M75-Y95 WeakPolarHBondContact CG-O 3.24Å; M75-Y95 VanDerWaalsContact SD-C 3.58Å; M75-Y95 VanDerWaalsContact SD-CA 3.57Å; M75-Y95 PolarHBondContact SD-N 2.97Å; M75-Y95 VanDerWaalsContact SD-N 3.41Å; T93-Y95 WeakPolarHBondContact O-CD1 3.25Å; T93-Y95 WeakPolarHBondContact O-CE1 3.38Å; T93-Y95 PolarHBondContact O-N 3.1Å; T93-Y95 PolarHBondContact OG1-O 2.82Å; Y95-V97 HydrophobicContact CE2-CG2 4.34Å; Y95-V97 PolarHBondContact O-N 2.99Å; Y95-I111 HydrophobicContact CE2-CG2 4.32Å; Y95-L114 WeakPolarHBondContact CB-O 3.33Å; Y95-V130 HydrophobicContact CE1-CG1 4.22Å; Y95-Q132 PolarHBondContact OH-OE1 3.18Å |
| 96 | R | 88.6 | Confident | 89.8 | Confident | 130 Ų | 130 | 63.5 Ų | 63.5 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 118.7 | 179.6 | -177.2 | 179.2 | -179.9 | -168.5 | 1.6 | 109.8 | G113 L114 | R96-G113 CarbonylContact O-C 3.59Å; R96-G113 WeakPolarHBondContact O-CA 3.24Å; R96-L114 PolarHBondContact N-O 3.35Å; R96-L114 PolarHBondContact O-N 2.73Å |
| 97 | V | 91.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.4 | 172.1 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | Y71 I77 T93 Y95 I100 I111 A112 | Y71-V97 HydrophobicContact CD1-CG1 3.88Å; Y71-V97 HydrophobicContact CD2-CB 3.6Å; Y71-V97 HydrophobicContact CD2-CG1 3.53Å; Y71-V97 HydrophobicContact CE1-CG1 4.22Å; Y71-V97 HydrophobicContact CE2-CB 4.17Å; Y71-V97 HydrophobicContact CE2-CG1 3.9Å; Y71-V97 HydrophobicContact CG-CB 3.94Å; Y71-V97 HydrophobicContact CG-CG1 3.51Å; I77-V97 HydrophobicContact CD1-CG2 3.96Å; I77-V97 HydrophobicContact CG1-CG2 4.08Å; T93-V97 HydrophobicContact CG2-CG2 3.64Å; Y95-V97 HydrophobicContact CE2-CG2 4.34Å; Y95-V97 PolarHBondContact O-N 2.99Å; V97-I100 HydrophobicContact CG1-CG2 3.88Å; V97-I111 HydrophobicContact CG1-CG2 3.89Å; V97-I111 HydrophobicContact CG2-CG2 4.03Å; V97-A112 WeakPolarHBondContact CA-O 3.23Å |
| 98 | T | 91.9 | Very high | 89.9 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -23.1 | -178.9 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | Y71 A112 L114 | Y71-T98 PolarHBondContact OH-O 3.16Å; T98-A112 PolarHBondContact N-O 3.39Å; T98-A112 PolarHBondContact OG1-O 3.39Å; T98-L114 HydrophobicContact CG2-CD1 4.13Å; T98-L114 HydrophobicContact CG2-CG 4.04Å |
| 99 | A | 92.8 | Very high | 90 | Very high | 44 Ų | 44 | 59 Ų | 59 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 151.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A112 | A99-A112 HydrophobicContact CB-CB 4.29Å; A99-A112 PolarHBondContact N-O 3.02Å; A99-A112 PolarHBondContact O-N 3.07Å |
| 100 | I | 93.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.2 | 165.9 | 61.7 | 172.3 | 0 | 0 | 0 | 108.4 | A69 Y71 V97 L109 A110 I111 | A69-I100 HydrophobicContact CB-CD1 3.7Å; A69-I100 VanDerWaalsContact O-CD1 3.28Å; A69-I100 WeakPolarHBondContact O-CD1 3.36Å; Y71-I100 HydrophobicContact CD1-CB 4.22Å; Y71-I100 HydrophobicContact CD1-CD1 3.78Å; Y71-I100 HydrophobicContact CD1-CG1 3.72Å; Y71-I100 HydrophobicContact CD1-CG2 3.58Å; Y71-I100 HydrophobicContact CE1-CB 4.36Å; Y71-I100 HydrophobicContact CE1-CD1 4.25Å; Y71-I100 HydrophobicContact CE1-CG1 3.77Å; Y71-I100 HydrophobicContact CE1-CG2 4.04Å; Y71-I100 HydrophobicContact CG-CG2 4.36Å; V97-I100 HydrophobicContact CG1-CG2 3.88Å; I100-L109 HydrophobicContact CB-CD1 4.29Å; I100-L109 HydrophobicContact CB-CD2 4.42Å; I100-A110 CarbonylContact C-O 3.56Å; I100-A110 VanDerWaalsContact CA-O 3.24Å; I100-A110 WeakPolarHBondContact CA-O 3.02Å; I100-I111 HydrophobicContact CG2-CG1 4.36Å; I100-I111 HydrophobicContact CG2-CG2 4.46Å |
| 101 | S | 94 | Very high | 90.4 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 49% | 0.49 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 125.9 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | L109 A110 | S101-L109 VanDerWaalsContact C-CD1 3.47Å; S101-L109 WeakPolarHBondContact O-CD1 3.43Å; S101-A110 PolarHBondContact N-O 2.79Å; S101-A110 PolarHBondContact O-N 3.16Å |
| 102 | W | 94 | Very high | 90.7 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.3 | 170.9 | -76.1 | 101.3 | 0 | 0 | 0 | 111 | S60 F61 V67 A69 V79 Y107 L109 V136 | S60-W102 VanDerWaalsContact O-CD1 3.24Å; S60-W102 PolarHBondContact O-NE1 3.13Å; F61-W102 VanDerWaalsContact O-CB 3.3Å; F61-W102 WeakPolarHBondContact O-CB 2.95Å; F61-W102 VanDerWaalsContact O-CG 3.27Å; V67-W102 HydrophobicContact CG2-CH2 3.95Å; V67-W102 HydrophobicContact CG2-CZ2 3.73Å; A69-W102 HydrophobicContact CB-CZ2 3.81Å; A69-W102 VanDerWaalsContact CB-NE1 3.28Å; V79-W102 HydrophobicContact CG1-CH2 4.17Å; V79-W102 HydrophobicContact CG1-CZ2 3.86Å; V79-W102 HydrophobicContact CG2-CZ2 4.23Å; W102-Y107 HydrophobicContact CH2-CD1 4.36Å; W102-Y107 HydrophobicContact CZ3-CD1 4.08Å; W102-L109 HydrophobicContact CB-CD1 4.31Å; W102-L109 HydrophobicContact CD2-CB 4.2Å; W102-L109 HydrophobicContact CD2-CD1 3.58Å; W102-L109 HydrophobicContact CD2-CG 4.48Å; W102-L109 HydrophobicContact CE3-CB 3.98Å; W102-L109 HydrophobicContact CE3-CD1 4.21Å; W102-L109 HydrophobicContact CG-CD1 3.58Å; W102-L109 HydrophobicContact CH2-CB 4.36Å; W102-L109 HydrophobicContact CZ2-CD1 4.41Å; W102-L109 HydrophobicContact CZ3-CB 4.06Å; W102-V136 HydrophobicContact CH2-CB 4.02Å; W102-V136 HydrophobicContact CH2-CG2 3.65Å; W102-V136 HydrophobicContact CZ3-CB 4.32Å; W102-V136 HydrophobicContact CZ3-CG2 4.11Å |
| 103 | H | 92.1 | Very high | 90.8 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 34% | 0.338 | 28% | 0.275 | S | S | . | . | trans | -66 | 138.6 | 168.9 | -175.9 | -83.1 | 0 | 0 | 0 | 109.8 | E105 T106 L108 | H103-E105 PolarHBondContact ND1-N 3.01Å; H103-E105 VanDerWaalsContact ND1-N 3.16Å; H103-E105 PolarHBondContact O-N 3.47Å; H103-E105 VanDerWaalsContact O-N 3.16Å; H103-T106 VanDerWaalsContact CG-OG1 3.29Å; H103-T106 PolarHBondContact ND1-N 3.27Å; H103-T106 VanDerWaalsContact ND1-N 3.17Å; H103-T106 PolarHBondContact ND1-OG1 2.84Å; H103-L108 HydrophobicContact CB-CB 3.78Å; H103-L108 VanDerWaalsContact CB-O 3.29Å; H103-L108 WeakPolarHBondContact CB-O 3.36Å; H103-L108 PolarHBondContact N-O 2.81Å | ||
| 104 | P | 90.3 | Very high | 90.8 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -69.1 | -15.7 | -170.8 | 26.1 | -36.8 | 0 | 0 | 0 | 115 | H63 | H63-P104 WeakPolarHBondContact CB-O 3.23Š|
| 105 | E | 89.8 | Confident | 90.2 | Very high | 144 Ų | 144 | 45.7 Ų | 45.7 | 67% | 0.673 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -130.9 | -5.5 | -174.5 | -61.8 | -62.8 | 156.4 | 0 | 0 | 114 | H103 | H103-E105 PolarHBondContact ND1-N 3.01Å; H103-E105 VanDerWaalsContact ND1-N 3.16Å; H103-E105 PolarHBondContact O-N 3.47Å; H103-E105 VanDerWaalsContact O-N 3.16Å |
| 106 | T | 89.8 | Confident | 89.3 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -141.7 | 159.6 | -173.8 | 71.5 | 0 | 0 | 0 | 0 | 110.1 | H63 H103 L108 | H63-T106 PolarHBondContact CD2-N 2.71Å; H103-T106 VanDerWaalsContact CG-OG1 3.29Å; H103-T106 PolarHBondContact ND1-N 3.27Å; H103-T106 VanDerWaalsContact ND1-N 3.17Å; H103-T106 PolarHBondContact ND1-OG1 2.84Å; T106-L108 PolarHBondContact O-N 3.16Å; T106-L108 WeakPolarHBondContact OG1-CB 3.24Å |
| 107 | Y | 88.9 | Confident | 87.9 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 9% | 0.09 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -78.1 | 49.5 | 174.3 | -79.3 | -94.4 | 0 | 0 | 0 | 112.4 | H63 D64 V67 W102 S135 V136 Q138 | H63-Y107 AromaticContact NE2-CD2 3.63Å; H63-Y107 AromaticContact NE2-CE2 3.68Å; D64-Y107 PolarHBondContact OD1-OH 3.43Å; D64-Y107 PolarHBondContact OD2-OH 2.81Å; V67-Y107 HydrophobicContact CG2-CD1 4.38Å; V67-Y107 HydrophobicContact CG2-CE1 3.88Å; W102-Y107 HydrophobicContact CH2-CD1 4.36Å; W102-Y107 HydrophobicContact CZ3-CD1 4.08Å; Y107-S135 CarbonylContact O-C 3.49Å; Y107-S135 VanDerWaalsContact O-CA 3.25Å; Y107-S135 WeakPolarHBondContact O-CA 3.25Å; Y107-V136 WeakPolarHBondContact CB-O 3.09Å; Y107-V136 HydrophobicContact CD1-CB 4.47Å; Y107-V136 PolarHBondContact O-N 2.82Å; Y107-Q138 HydrophobicContact CD2-CG 4.24Å; Y107-Q138 HydrophobicContact CE2-CG 4.17Å |
| 108 | L | 91.1 | Very high | 86.3 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122 | 173.6 | -173.8 | 77.4 | 0 | 0 | 0 | 108.4 | H103 T106 T133 F134 | H103-L108 HydrophobicContact CB-CB 3.78Å; H103-L108 VanDerWaalsContact CB-O 3.29Å; H103-L108 WeakPolarHBondContact CB-O 3.36Å; H103-L108 PolarHBondContact N-O 2.81Å; T106-L108 PolarHBondContact O-N 3.16Å; T106-L108 WeakPolarHBondContact OG1-CB 3.24Å; L108-T133 HydrophobicContact CD2-CG2 4.45Å; L108-F134 CarbonylContact C-O 3.58Å; L108-F134 WeakPolarHBondContact CA-O 3.4Å |
| 109 | L | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | 174.3 | -174.6 | 73.6 | 0 | 0 | 0 | 110.2 | A69 I100 S101 W102 I111 T133 F134 | A69-L109 HydrophobicContact CB-CD1 4.01Å; A69-L109 HydrophobicContact CB-CD2 3.46Å; A69-L109 VanDerWaalsContact CB-CD2 3.46Å; A69-L109 HydrophobicContact CB-CG 4.45Å; I100-L109 HydrophobicContact CB-CD1 4.29Å; I100-L109 HydrophobicContact CB-CD2 4.42Å; S101-L109 VanDerWaalsContact C-CD1 3.47Å; S101-L109 WeakPolarHBondContact O-CD1 3.43Å; W102-L109 HydrophobicContact CB-CD1 4.31Å; W102-L109 HydrophobicContact CD2-CB 4.2Å; W102-L109 HydrophobicContact CD2-CD1 3.58Å; W102-L109 HydrophobicContact CD2-CG 4.48Å; W102-L109 HydrophobicContact CE3-CB 3.98Å; W102-L109 HydrophobicContact CE3-CD1 4.21Å; W102-L109 HydrophobicContact CG-CD1 3.58Å; W102-L109 HydrophobicContact CH2-CB 4.36Å; W102-L109 HydrophobicContact CZ2-CD1 4.41Å; W102-L109 HydrophobicContact CZ3-CB 4.06Å; L109-I111 HydrophobicContact CD2-CG1 4.47Å; L109-T133 CarbonylContact O-C 3.53Å; L109-T133 VanDerWaalsContact O-CA 3.22Å; L109-T133 WeakPolarHBondContact O-CA 3.45Å; L109-F134 HydrophobicContact CB-CD1 3.98Å; L109-F134 HydrophobicContact CB-CD2 4.44Å; L109-F134 HydrophobicContact CB-CE1 3.43Å; L109-F134 VanDerWaalsContact CB-CE1 3.43Å; L109-F134 HydrophobicContact CB-CE2 3.98Å; L109-F134 HydrophobicContact CB-CG 4.48Å; L109-F134 HydrophobicContact CB-CZ 3.49Å; L109-F134 VanDerWaalsContact CB-CZ 3.49Å; L109-F134 HydrophobicContact CD2-CE1 3.35Å; L109-F134 HydrophobicContact CD2-CE2 4.21Å; L109-F134 HydrophobicContact CD2-CZ 3.12Å; L109-F134 HydrophobicContact CG-CE1 3.62Å; L109-F134 HydrophobicContact CG-CZ 3.75Å; L109-F134 PolarHBondContact N-O 2.88Å; L109-F134 WeakPolarHBondContact O-CD1 3.32Å; L109-F134 PolarHBondContact O-N 3.13Å |
| 110 | A | 93 | Very high | 83 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I100 S101 Q132 T133 | I100-A110 CarbonylContact C-O 3.56Å; I100-A110 VanDerWaalsContact CA-O 3.24Å; I100-A110 WeakPolarHBondContact CA-O 3.02Å; S101-A110 PolarHBondContact N-O 2.79Å; S101-A110 PolarHBondContact O-N 3.16Å; A110-Q132 CarbonylContact C-O 3.58Å; A110-Q132 WeakPolarHBondContact CA-O 3.38Å; A110-T133 HydrophobicContact CB-CG2 4.3Å |
| 111 | I | 92.1 | Very high | 81.6 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.4 | 176.4 | -55.8 | 161.8 | 0 | 0 | 0 | 108.2 | I77 M91 Y95 V97 I100 L109 V131 Q132 F134 | I77-I111 HydrophobicContact CD1-CB 4.3Å; I77-I111 HydrophobicContact CD1-CD1 3.25Å; I77-I111 HydrophobicContact CD1-CG1 3.57Å; I77-I111 HydrophobicContact CD1-CG2 3.71Å; M91-I111 HydrophobicContact CE-CD1 4.07Å; Y95-I111 HydrophobicContact CE2-CG2 4.32Å; V97-I111 HydrophobicContact CG1-CG2 3.89Å; V97-I111 HydrophobicContact CG2-CG2 4.03Å; I100-I111 HydrophobicContact CG2-CG1 4.36Å; I100-I111 HydrophobicContact CG2-CG2 4.46Å; L109-I111 HydrophobicContact CD2-CG1 4.47Å; I111-V131 CarbonylContact O-C 3.58Å; I111-V131 VanDerWaalsContact O-CA 3.26Å; I111-V131 WeakPolarHBondContact O-CA 3.48Å; I111-Q132 PolarHBondContact N-O 3.29Å; I111-Q132 PolarHBondContact O-N 3.49Å; I111-F134 HydrophobicContact CD1-CD1 3.67Å; I111-F134 HydrophobicContact CD1-CE1 3.28Å; I111-F134 HydrophobicContact CD1-CZ 4.35Å; I111-F134 HydrophobicContact CG1-CD1 4.18Å; I111-F134 HydrophobicContact CG1-CE1 3.62Å |
| 112 | A | 92.2 | Very high | 79.5 | Confident | 28 Ų | 28 | 80.6 Ų | 80.6 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V97 T98 A99 V130 | V97-A112 WeakPolarHBondContact CA-O 3.23Å; T98-A112 PolarHBondContact N-O 3.39Å; T98-A112 PolarHBondContact OG1-O 3.39Å; A99-A112 HydrophobicContact CB-CB 4.29Å; A99-A112 PolarHBondContact N-O 3.02Å; A99-A112 PolarHBondContact O-N 3.07Å; A112-V130 CarbonylContact C-O 3.4Å; A112-V130 VanDerWaalsContact CA-O 3.27Å; A112-V130 WeakPolarHBondContact CA-O 3.38Å |
| 113 | G | 90.1 | Very high | 78 | Confident | 3 Ų | 3 | 88 Ų | 88 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 177.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | R96 S129 V130 | R96-G113 CarbonylContact O-C 3.59Å; R96-G113 WeakPolarHBondContact O-CA 3.24Å; G113-S129 CarbonylContact O-C 3.58Å; G113-S129 WeakPolarHBondContact O-CA 3.37Å; G113-V130 PolarHBondContact N-O 3.48Å; G113-V130 PolarHBondContact O-N 2.65Å |
| 114 | L | 84.9 | Confident | 76 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 28% | 0.283 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 101.2 | -178.5 | -64.5 | 171.4 | 0 | 0 | 0 | 110 | Y95 R96 T98 | Y95-L114 WeakPolarHBondContact CB-O 3.33Å; R96-L114 PolarHBondContact N-O 3.35Å; R96-L114 PolarHBondContact O-N 2.73Å; T98-L114 HydrophobicContact CG2-CD1 4.13Å; T98-L114 HydrophobicContact CG2-CG 4.04Å |
| 115 | S | 73.6 | Confident | 74.5 | Confident | 16 Ų | 16 | 89 Ų | 89 | 11% | 0.112 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 149.3 | 171.3 | 69.2 | 0 | 0 | 0 | 0 | 111 | Q127 C128 V130 | S115-Q127 CarbonylContact O-C 3.59Å; S115-Q127 WeakPolarHBondContact O-CA 3.15Å; S115-C128 PolarHBondContact N-O 3.37Å; S115-C128 PolarHBondContact O-N 2.53Å; S115-C128 PolarHBondContact OG-O 2.78Å; S115-V130 VanDerWaalsContact OG-CG2 3.31Å; S115-V130 WeakPolarHBondContact OG-CG2 3.4Å |
| 116 | R | 68.6 | Low | 73 | Confident | 184 Ų | 184 | 87.1 Ų | 87.1 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116.2 | 165.7 | -67.1 | -178.9 | -177.9 | -124.7 | 1.9 | 107.4 | L125 | R116-L125 HydrophobicContact CB-CD2 4.41Å |
| 117 | R | 59.2 | Low | 71.8 | Confident | 172 Ų | 172 | 90.6 Ų | 90.6 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.4 | 168.3 | -78.3 | -170.3 | 173.7 | -171.9 | -1 | 109.2 | H126 | R117-H126 PolarHBondContact N-O 2.95Å |
| 118 | T | 57.1 | Low | 70.5 | Confident | 109 Ų | 109 | 91.5 Ų | 91.5 | 67% | 0.669 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.3 | 161.4 | 47.8 | 0 | 0 | 0 | 0 | 108.1 | L125 | T118-L125 HydrophobicContact CG2-CD2 3.49Å; T118-L125 VanDerWaalsContact CG2-CD2 3.49Å |
| 119 | R | 57.4 | Low | 69.6 | Low | 165 Ų | 165 | 93.9 Ų | 93.9 | 62% | 0.623 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.2 | 166.4 | -76.2 | -170.2 | 175.7 | -132.6 | 1.6 | 108 | F121 Y122 | R119-F121 PolarHBondContact O-N 2.87Å; R119-Y122 CarbonylContact O-C 3.58Å; R119-Y122 PolarHBondContact O-N 2.82Å; R119-Y122 VanDerWaalsContact O-N 3.16Å |
| 120 | P | 58.6 | Low | 68.8 | Low | 120 Ų | 120 | 95.3 Ų | 95.3 | 78% | 0.779 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.1 | -176.7 | 19.9 | -29.9 | 0 | 0 | 0 | 114.2 | ||
| 121 | F | 64 | Low | 68.1 | Low | 183 Ų | 183 | 99.1 Ų | 99.1 | 80% | 0.803 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -0.2 | -179.4 | -58.3 | -71.5 | 0 | 0 | 0 | 114.6 | R119 | R119-F121 PolarHBondContact O-N 2.87Š|
| 122 | Y | 50.5 | Low | 67.5 | Low | 155 Ų | 155 | 103.5 Ų | 103.5 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 127.3 | 179 | -78 | -94.4 | 0 | 0 | 0 | 109.1 | R119 D124 | R119-Y122 CarbonylContact O-C 3.58Å; R119-Y122 PolarHBondContact O-N 2.82Å; R119-Y122 VanDerWaalsContact O-N 3.16Å; Y122-D124 PolarHBondContact O-N 3.04Å |
| 123 | N | 61.7 | Low | 66.8 | Low | 172 Ų | 172 | 106.6 Ų | 106.6 | 92% | 0.92 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 13.6 | 175.9 | -86.1 | -9.9 | 0 | 0 | 0 | 114 | L125 | N123-L125 PolarHBondContact O-N 2.99Å |
| 124 | D | 51.6 | Low | 66.4 | Low | 90 Ų | 90 | 108 Ų | 108 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.6 | 178 | -63.5 | -37 | 0 | 0 | 0 | 110.4 | Y122 H126 | Y122-D124 PolarHBondContact O-N 3.04Å; D124-H126 PolarHBondContact O-N 3.24Å |
| 125 | L | 58.8 | Low | 66.1 | Low | 93 Ų | 93 | 110.2 Ų | 110.2 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 100 | 170.5 | -70.5 | 171.9 | 0 | 0 | 0 | 108.8 | R116 T118 N123 | R116-L125 HydrophobicContact CB-CD2 4.41Å; T118-L125 HydrophobicContact CG2-CD2 3.49Å; T118-L125 VanDerWaalsContact CG2-CD2 3.49Å; N123-L125 PolarHBondContact O-N 2.99Å |
| 126 | H | 58.4 | Low | 66.2 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 136.7 | 166.3 | -68.6 | -65.6 | 0 | 0 | 0 | 110.2 | R117 D124 | R117-H126 PolarHBondContact N-O 2.95Å; D124-H126 PolarHBondContact O-N 3.24Å |
| 127 | Q | 64.6 | Low | 66.2 | Low | 137 Ų | 137 | 104.3 Ų | 104.3 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 125.3 | 166.2 | -63.2 | -179.4 | 13 | 0 | 0 | 107.7 | S115 | S115-Q127 CarbonylContact O-C 3.59Å; S115-Q127 WeakPolarHBondContact O-CA 3.15Å |
| 128 | C | 60.1 | Low | 66.2 | Low | 43 Ų | 43 | 103.9 Ų | 103.9 | 29% | 0.291 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.6 | 174.7 | -63.3 | 0 | 0 | 0 | 0 | 109 | S115 | S115-C128 PolarHBondContact N-O 3.37Å; S115-C128 PolarHBondContact O-N 2.53Å; S115-C128 PolarHBondContact OG-O 2.78Å |
| 129 | S | 73.6 | Confident | 66.1 | Low | 107 Ų | 107 | 100.6 Ų | 100.6 | 75% | 0.748 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.3 | 169.2 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | G113 | G113-S129 CarbonylContact O-C 3.58Å; G113-S129 WeakPolarHBondContact O-CA 3.37Å |
| 130 | V | 74.7 | Confident | 65.5 | Low | 31 Ų | 31 | 97.6 Ų | 97.6 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.3 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | Y95 A112 G113 S115 Q132 | Y95-V130 HydrophobicContact CE1-CG1 4.22Å; A112-V130 CarbonylContact C-O 3.4Å; A112-V130 VanDerWaalsContact CA-O 3.27Å; A112-V130 WeakPolarHBondContact CA-O 3.38Å; G113-V130 PolarHBondContact N-O 3.48Å; G113-V130 PolarHBondContact O-N 2.65Å; S115-V130 VanDerWaalsContact OG-CG2 3.31Å; S115-V130 WeakPolarHBondContact OG-CG2 3.4Å; V130-Q132 HydrophobicContact CG1-CG 3.87Å |
| 131 | V | 78.3 | Confident | 64.9 | Low | 113 Ų | 113 | 98 Ų | 98 | 69% | 0.685 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.4 | 167.5 | -179.2 | 0 | 0 | 0 | 0 | 108 | I111 | I111-V131 CarbonylContact O-C 3.58Å; I111-V131 VanDerWaalsContact O-CA 3.26Å; I111-V131 WeakPolarHBondContact O-CA 3.48Å |
| 132 | Q | 79.1 | Confident | 63.7 | Low | 93 Ų | 93 | 95.3 Ų | 95.3 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.2 | 176.6 | -72.1 | -177.2 | -35.1 | 0 | 0 | 109.7 | Y95 A110 I111 V130 | Y95-Q132 PolarHBondContact OH-OE1 3.18Å; A110-Q132 CarbonylContact C-O 3.58Å; A110-Q132 WeakPolarHBondContact CA-O 3.38Å; I111-Q132 PolarHBondContact N-O 3.29Å; I111-Q132 PolarHBondContact O-N 3.49Å; V130-Q132 HydrophobicContact CG1-CG 3.87Å |
| 133 | T | 79 | Confident | 63.1 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.3 | 170.4 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | L108 L109 A110 | L108-T133 HydrophobicContact CD2-CG2 4.45Å; L109-T133 CarbonylContact O-C 3.53Å; L109-T133 VanDerWaalsContact O-CA 3.22Å; L109-T133 WeakPolarHBondContact O-CA 3.45Å; A110-T133 HydrophobicContact CB-CG2 4.3Å |
| 134 | F | 81 | Confident | 62 | Low | 34 Ų | 34 | 90.5 Ų | 90.5 | 15% | 0.149 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.7 | 173.5 | 63.7 | -82.9 | 0 | 0 | 0 | 110.9 | V79 F89 L108 L109 I111 V136 | V79-F134 HydrophobicContact CG2-CE2 4.31Å; V79-F134 HydrophobicContact CG2-CZ 4.38Å; F89-F134 HydrophobicContact CD1-CE2 4.11Å; F89-F134 HydrophobicContact CE1-CD2 4.41Å; F89-F134 AromaticContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CZ 4.17Å; F89-F134 HydrophobicContact CZ-CE2 4.44Å; L108-F134 CarbonylContact C-O 3.58Å; L108-F134 WeakPolarHBondContact CA-O 3.4Å; L109-F134 HydrophobicContact CB-CD1 3.98Å; L109-F134 HydrophobicContact CB-CD2 4.44Å; L109-F134 HydrophobicContact CB-CE1 3.43Å; L109-F134 VanDerWaalsContact CB-CE1 3.43Å; L109-F134 HydrophobicContact CB-CE2 3.98Å; L109-F134 HydrophobicContact CB-CG 4.48Å; L109-F134 HydrophobicContact CB-CZ 3.49Å; L109-F134 VanDerWaalsContact CB-CZ 3.49Å; L109-F134 HydrophobicContact CD2-CE1 3.35Å; L109-F134 HydrophobicContact CD2-CE2 4.21Å; L109-F134 HydrophobicContact CD2-CZ 3.12Å; L109-F134 HydrophobicContact CG-CE1 3.62Å; L109-F134 HydrophobicContact CG-CZ 3.75Å; L109-F134 PolarHBondContact N-O 2.88Å; L109-F134 WeakPolarHBondContact O-CD1 3.32Å; L109-F134 PolarHBondContact O-N 3.13Å; I111-F134 HydrophobicContact CD1-CD1 3.67Å; I111-F134 HydrophobicContact CD1-CE1 3.28Å; I111-F134 HydrophobicContact CD1-CZ 4.35Å; I111-F134 HydrophobicContact CG1-CD1 4.18Å; I111-F134 HydrophobicContact CG1-CE1 3.62Å; F134-V136 HydrophobicContact CD2-CG2 3.58Å; F134-V136 HydrophobicContact CE2-CG2 3.33Å |
| 135 | S | 78.8 | Confident | 61.3 | Low | 99 Ų | 99 | 90.1 Ų | 90.1 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.6 | 173.4 | 57 | 0 | 0 | 0 | 0 | 109.7 | Y107 | Y107-S135 CarbonylContact O-C 3.49Å; Y107-S135 VanDerWaalsContact O-CA 3.25Å; Y107-S135 WeakPolarHBondContact O-CA 3.25Å |
| 136 | V | 75.9 | Confident | 60.7 | Low | 18 Ų | 18 | 91.1 Ų | 91.1 | 11% | 0.109 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -88.4 | 124.4 | 168.3 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | V79 W102 Y107 F134 | V79-V136 HydrophobicContact CG2-CG2 4.49Å; W102-V136 HydrophobicContact CH2-CB 4.02Å; W102-V136 HydrophobicContact CH2-CG2 3.65Å; W102-V136 HydrophobicContact CZ3-CB 4.32Å; W102-V136 HydrophobicContact CZ3-CG2 4.11Å; Y107-V136 WeakPolarHBondContact CB-O 3.09Å; Y107-V136 HydrophobicContact CD1-CB 4.47Å; Y107-V136 PolarHBondContact O-N 2.82Å; F134-V136 HydrophobicContact CD2-CG2 3.58Å; F134-V136 HydrophobicContact CE2-CG2 3.33Å |
| 137 | G | 68.8 | Low | 60.1 | Low | 58 Ų | 58 | 92.1 Ų | 92.1 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T139 | G137-T139 PolarHBondContact O-N 2.82Å; G137-T139 VanDerWaalsContact O-N 3.13Å |
| 138 | Q | 59.4 | Low | 59.2 | Low | 164 Ų | 164 | 94.5 Ų | 94.5 | 77% | 0.766 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.7 | 172.9 | -76.6 | -174.7 | -2.8 | 0 | 0 | 108.9 | Y107 S140 | Y107-Q138 HydrophobicContact CD2-CG 4.24Å; Y107-Q138 HydrophobicContact CE2-CG 4.17Å; Q138-S140 VanDerWaalsContact C-N 3.35Å; Q138-S140 PolarHBondContact O-N 3.34Å |
| 139 | T | 54.4 | Low | 59.1 | Low | 40 Ų | 40 | 98.5 Ų | 98.5 | 25% | 0.245 | 61% | 0.606 | C | S | . | * | trans | -76.8 | 90.8 | 173.7 | 49.9 | 0 | 0 | 0 | 0 | 107.1 | V88 G137 E141 | V88-T139 HydrophobicContact CB-CG2 4.18Å; V88-T139 HydrophobicContact CG1-CG2 3.92Å; V88-T139 HydrophobicContact CG2-CG2 4.25Å; G137-T139 PolarHBondContact O-N 2.82Å; G137-T139 VanDerWaalsContact O-N 3.13Å; T139-E141 PolarHBondContact O-N 2.79Å | ||
| 140 | S | 44.2 | Very low | 58.1 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | trans | -75.4 | 115.4 | 166.5 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | Q138 T142 | Q138-S140 VanDerWaalsContact C-N 3.35Å; Q138-S140 PolarHBondContact O-N 3.34Å; S140-T142 PolarHBondContact O-N 2.92Å | ||
| 141 | E | 45.8 | Very low | 56.8 | Low | 130 Ų | 130 | 104.2 Ų | 104.2 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | trans | -63.2 | 100.6 | 164.6 | -74.4 | -178.8 | 157 | 0 | 0 | 107.6 | H81 T139 S143 | H81-E141 IonicContact CE1-OE1 3.79Å; H81-E141 PolarHBondContact CE1-OE1 3.17Å; H81-E141 VanDerWaalsContact CE1-OE1 3.27Å; T139-E141 PolarHBondContact O-N 2.79Å; E141-S143 VanDerWaalsContact C-N 3.31Å; E141-S143 PolarHBondContact O-N 2.9Å | ||
| 142 | T | 40.4 | Very low | 55.5 | Low | 125 Ų | 125 | 108.1 Ų | 108.1 | 77% | 0.767 | 65% | 0.65 | S | S | * | * | trans | -69.3 | 97.6 | 160.3 | 41.2 | 0 | 0 | 0 | 0 | 107.2 | S140 S144 | S140-T142 PolarHBondContact O-N 2.92Å; T142-S144 PolarHBondContact O-N 2.87Å | ||
| 143 | S | 36.8 | Very low | 54.1 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | trans | -51.7 | 101.7 | 161.9 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | E141 A145 | E141-S143 VanDerWaalsContact C-N 3.31Å; E141-S143 PolarHBondContact O-N 2.9Å; S143-A145 PolarHBondContact O-N 3.49Å | ||
| 144 | S | 38.6 | Very low | 53.1 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -89 | 98.8 | 168.8 | 50.6 | 0 | 0 | 0 | 0 | 107.6 | T142 | T142-S144 PolarHBondContact O-N 2.87Š| ||
| 145 | A | 37.2 | Very low | 51.7 | Low | 82 Ų | 82 | 124.1 Ų | 124.1 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 142.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | S143 | S143-A145 PolarHBondContact O-N 3.49Š|
| 146 | P | 46.9 | Very low | 50.2 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.2 | 174.6 | 27.2 | -32.4 | 0 | 0 | 0 | 109.8 | E148 | P146-E148 PolarHBondContact O-N 2.89Š|
| 147 | P | 45.6 | Very low | 48.8 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 120.6 | 177.6 | 27.6 | -31.2 | 0 | 0 | 0 | 109.8 | T149 | P147-T149 PolarHBondContact O-N 2.76Š|
| 148 | E | 46 | Very low | 47.6 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.4 | 166.2 | -67.4 | -177.5 | 164.4 | 0 | 0 | 109 | P146 | P146-E148 PolarHBondContact O-N 2.89Š|
| 149 | T | 57.4 | Low | 46.9 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 126.7 | 169.7 | 43.7 | 0 | 0 | 0 | 0 | 109.7 | P147 | P147-T149 PolarHBondContact O-N 2.76Š|
| 150 | P | 52.6 | Low | 46.4 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 131.1 | 172.6 | -6.1 | 22.2 | 0 | 0 | 0 | 110.1 | ||
| 151 | V | 47.6 | Very low | 46.5 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 117.1 | 162.7 | 176.1 | 0 | 0 | 0 | 0 | 106.8 | ||
| 152 | E | 50.8 | Low | 46.6 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -130.5 | 136.9 | 160.2 | -109.5 | -176.3 | 169.9 | 0 | 0 | 110 | ||||
| 153 | L | 48.9 | Very low | 47.1 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | trans | -82 | 151.1 | -167.3 | -66.8 | 127 | 0 | 0 | 0 | 112.5 | ||||
| 154 | E | 57.2 | Low | 48.1 | Very low | 269 Ų | 269 | 148.3 Ų | 148.3 | 100% | 1.257 | 85% | 0.845 | S | S | * | * | trans | -108.9 | 0 | 141.1 | -79.4 | -167.7 | 141.8 | 0 | 0 | 109.3 |
Retrieved 154 of 154 residues in 176.4 ms
(Link to these results)