| 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 | 42.9 | Very low | 59.5 | Low | 212 Ų | 212 | 101.4 Ų | 101.4 | 100% | 1.044 | 59% | 0.587 | S | S | * | * | 0 | 99.2 | 0 | -73.4 | 175.4 | -173.5 | 0 | 0 | 105.8 | D21 | M1-D21 VanDerWaalsContact CB-OD1 3.28Å; M1-D21 WeakPolarHBondContact CB-OD1 3.36Å; M1-D21 WeakPolarHBondContact CG-OD1 3.28Å | |||
| 2 | E | 47.4 | Very low | 60.7 | Low | 151 Ų | 151 | 101.3 Ų | 101.3 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | trans | -91.1 | 121.4 | -172 | -169.9 | 166.8 | -165.7 | 0 | 0 | 108.2 | ||||
| 3 | N | 51.9 | Low | 61.9 | Low | 105 Ų | 105 | 100.1 Ų | 100.1 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.1 | 174.5 | -70.9 | -41.9 | 0 | 0 | 0 | 107.1 | R20 | N3-R20 WeakPolarHBondContact OD1-CG 3.49Å |
| 4 | D | 63.6 | Low | 63.5 | Low | 91 Ų | 91 | 94.4 Ų | 94.4 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.2 | 178.9 | -81.6 | -15.2 | 0 | 0 | 0 | 110.2 | V19 | D4-V19 HydrophobicContact CB-CB 4.3Å; D4-V19 PolarHBondContact N-O 2.88Å; D4-V19 VanDerWaalsContact N-O 3.16Å; D4-V19 PolarHBondContact O-N 2.84Å |
| 5 | S | 65.6 | Low | 65 | Low | 107 Ų | 107 | 88.3 Ų | 88.3 | 75% | 0.748 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121 | 163.4 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | K17 | S5-K17 WeakPolarHBondContact CA-O 3.37Å |
| 6 | G | 68.8 | Low | 66.4 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 33% | 0.33 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V16 K17 | G6-V16 WeakPolarHBondContact O-CA 3.35Å; G6-K17 PolarHBondContact N-O 3.22Å; G6-K17 VanDerWaalsContact N-O 3.12Å; G6-K17 PolarHBondContact O-N 2.87Å |
| 7 | Q | 64.8 | Low | 67.8 | Low | 138 Ų | 138 | 84.5 Ų | 84.5 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.4 | 167 | -65 | -176 | 23.5 | 0 | 0 | 109.4 | G15 V16 | Q7-G15 WeakPolarHBondContact CA-O 3.48Å; Q7-V16 HydrophobicContact CG-CG2 4.36Å |
| 8 | I | 61.6 | Low | 69 | Low | 73 Ų | 73 | 84.2 Ų | 84.2 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.2 | 177.3 | -60.3 | 170.1 | 0 | 0 | 0 | 108 | W14 G15 K17 | I8-W14 CarbonylContact O-C 3.51Å; I8-W14 WeakPolarHBondContact O-CA 3.45Å; I8-G15 PolarHBondContact N-O 3.19Å; I8-G15 PolarHBondContact O-N 3.28Å; I8-K17 HydrophobicContact CD1-CD 3.52Å; I8-K17 HydrophobicContact CD1-CG 4.03Å; I8-K17 VanDerWaalsContact CD1-NZ 3.3Å |
| 9 | G | 53.2 | Low | 70.2 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K13 | G9-K13 CarbonylContact C-O 3.54Å; G9-K13 VanDerWaalsContact CA-O 3.32Å; G9-K13 WeakPolarHBondContact CA-O 3.38Å |
| 10 | N | 66 | Low | 71.3 | Confident | 83 Ų | 83 | 84.5 Ų | 84.5 | 44% | 0.444 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 171.3 | 160.7 | 75.5 | 12.6 | 0 | 0 | 0 | 109.1 | K12 K13 H49 | N10-K12 PolarHBondContact O-N 2.97Å; N10-K13 PolarHBondContact N-O 2.96Å; N10-K13 PolarHBondContact O-N 2.93Å; N10-K13 VanDerWaalsContact OD1-CB 3.28Å; N10-K13 WeakPolarHBondContact OD1-CB 3.41Å; N10-K13 WeakPolarHBondContact OD1-CG 3.4Å; N10-K13 PolarHBondContact OD1-N 2.83Å; N10-H49 PolarHBondContact O-CE1 3.16Å; N10-H49 PolarHBondContact O-NE2 3.32Å |
| 11 | A | 69.1 | Low | 72.3 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -4.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | T45 | A11-T45 WeakPolarHBondContact O-CG2 3.37Å; A11-T45 PolarHBondContact O-OG1 3.42Å |
| 12 | K | 74 | Confident | 74.7 | Confident | 100 Ų | 100 | 78.5 Ų | 78.5 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 1.7 | 178.1 | -51.5 | 179.9 | 179.5 | -163.8 | 0 | 113.5 | N10 K31 C32 F40 | N10-K12 PolarHBondContact O-N 2.97Å; K12-K31 CarbonylContact O-C 3.6Å; K12-K31 VanDerWaalsContact O-CA 3.31Å; K12-K31 WeakPolarHBondContact O-CA 3.2Å; K12-C32 PolarHBondContact O-N 3.35Å; K12-F40 HydrophobicContact CB-CD1 4.24Å; K12-F40 HydrophobicContact CB-CE1 3.96Å; K12-F40 HydrophobicContact CB-CZ 4.25Å; K12-F40 HydrophobicContact CD-CD1 4.15Å; K12-F40 HydrophobicContact CD-CD2 3.57Å; K12-F40 HydrophobicContact CD-CE1 3.97Å; K12-F40 HydrophobicContact CD-CE2 3.36Å; K12-F40 HydrophobicContact CD-CG 3.95Å; K12-F40 HydrophobicContact CD-CZ 3.57Å; K12-F40 HydrophobicContact CG-CD1 3.71Å; K12-F40 HydrophobicContact CG-CD2 3.98Å; K12-F40 HydrophobicContact CG-CE1 3.77Å; K12-F40 HydrophobicContact CG-CE2 4.04Å; K12-F40 HydrophobicContact CG-CG 3.8Å; K12-F40 HydrophobicContact CG-CZ 3.92Å |
| 13 | K | 76.1 | Confident | 76.8 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 138.1 | -170.5 | -53.5 | -178 | -177.2 | 169.5 | 0 | 111.4 | G9 N10 W30 K31 H49 | G9-K13 CarbonylContact C-O 3.54Å; G9-K13 VanDerWaalsContact CA-O 3.32Å; G9-K13 WeakPolarHBondContact CA-O 3.38Å; N10-K13 PolarHBondContact N-O 2.96Å; N10-K13 PolarHBondContact O-N 2.93Å; N10-K13 VanDerWaalsContact OD1-CB 3.28Å; N10-K13 WeakPolarHBondContact OD1-CB 3.41Å; N10-K13 WeakPolarHBondContact OD1-CG 3.4Å; N10-K13 PolarHBondContact OD1-N 2.83Å; K13-W30 VanDerWaalsContact CA-O 3.29Å; K13-W30 WeakPolarHBondContact CA-O 3.08Å; K13-K31 HydrophobicContact CG-CG 4.24Å; K13-H49 PolarHBondContact O-NE2 3.21Å |
| 14 | W | 84 | Confident | 78.7 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 8% | 0.08 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.8 | 168.7 | -169 | 87.7 | 0 | 0 | 0 | 109.8 | I8 V16 R29 W30 F48 Y52 | I8-W14 CarbonylContact O-C 3.51Å; I8-W14 WeakPolarHBondContact O-CA 3.45Å; W14-V16 HydrophobicContact CH2-CG2 3.53Å; W14-V16 HydrophobicContact CZ2-CG2 3.97Å; W14-V16 HydrophobicContact CZ3-CG2 4.08Å; W14-R29 CarbonylContact O-C 3.56Å; W14-R29 VanDerWaalsContact O-CA 3.32Å; W14-R29 WeakPolarHBondContact O-CA 3.36Å; W14-W30 HydrophobicContact CE3-CD2 4.48Å; W14-W30 AromaticContact CE3-CE3 3.44Å; W14-W30 HydrophobicContact CE3-CE3 3.44Å; W14-W30 VanDerWaalsContact CE3-CE3 3.44Å; W14-W30 AromaticContact CE3-CZ3 3.48Å; W14-W30 HydrophobicContact CE3-CZ3 3.48Å; W14-W30 VanDerWaalsContact CE3-CZ3 3.48Å; W14-W30 AromaticContact CZ3-CE3 3.75Å; W14-W30 HydrophobicContact CZ3-CE3 3.75Å; W14-W30 AromaticContact CZ3-CH2 3.99Å; W14-W30 HydrophobicContact CZ3-CH2 3.99Å; W14-W30 AromaticContact CZ3-CZ3 3.26Å; W14-W30 HydrophobicContact CZ3-CZ3 3.26Å; W14-W30 PolarHBondContact N-O 2.83Å; W14-W30 PolarHBondContact O-N 3.03Å; W14-F48 HydrophobicContact CB-CE1 4.34Å; W14-Y52 HydrophobicContact CD2-CG 4.46Å; W14-Y52 HydrophobicContact CE3-CD2 4.4Å; W14-Y52 AromaticContact CE3-CG 3.91Å; W14-Y52 HydrophobicContact CE3-CG 3.91Å; W14-Y52 WeakPolarHBondContact CH2-O 3.4Å; W14-Y52 WeakPolarHBondContact CZ2-O 3.5Å; W14-Y52 VanDerWaalsContact CZ3-CB 3.4Å; W14-Y52 HydrophobicContact CZ3-CG 4.16Å |
| 15 | G | 85.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 163.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q7 I8 P28 | Q7-G15 WeakPolarHBondContact CA-O 3.48Å; I8-G15 PolarHBondContact N-O 3.19Å; I8-G15 PolarHBondContact O-N 3.28Å; G15-P28 WeakPolarHBondContact CA-O 3.31Å |
| 16 | V | 87.1 | Confident | 81.3 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.9 | 176 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | G6 Q7 W14 I18 N27 P28 | G6-V16 WeakPolarHBondContact O-CA 3.35Å; Q7-V16 HydrophobicContact CG-CG2 4.36Å; W14-V16 HydrophobicContact CH2-CG2 3.53Å; W14-V16 HydrophobicContact CZ2-CG2 3.97Å; W14-V16 HydrophobicContact CZ3-CG2 4.08Å; V16-I18 HydrophobicContact CG1-CG1 4.4Å; V16-N27 WeakPolarHBondContact O-CA 3.15Å; V16-P28 HydrophobicContact CB-CG 4.49Å; V16-P28 PolarHBondContact N-O 2.95Å; V16-P28 WeakPolarHBondContact O-CD 3.46Å |
| 17 | K | 90.5 | Very high | 82.4 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.5 | 168.2 | -70 | -178.2 | -179.8 | 168.3 | 0 | 110 | S5 G6 I8 A26 N27 | S5-K17 WeakPolarHBondContact CA-O 3.37Å; G6-K17 PolarHBondContact N-O 3.22Å; G6-K17 VanDerWaalsContact N-O 3.12Å; G6-K17 PolarHBondContact O-N 2.87Å; I8-K17 HydrophobicContact CD1-CD 3.52Å; I8-K17 HydrophobicContact CD1-CG 4.03Å; I8-K17 VanDerWaalsContact CD1-NZ 3.3Å; K17-A26 WeakPolarHBondContact CA-O 3.32Å; K17-N27 HydrophobicContact CG-CB 4.43Å; K17-N27 WeakPolarHBondContact CG-OD1 3.29Å |
| 18 | I | 90.6 | Very high | 83.7 | Confident | 78 Ų | 78 | 69.6 Ų | 69.6 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.6 | 170.5 | -55.2 | 177.9 | 0 | 0 | 0 | 106.9 | V16 L25 A26 | V16-I18 HydrophobicContact CG1-CG1 4.4Å; I18-L25 HydrophobicContact CB-CB 4.35Å; I18-L25 HydrophobicContact CG2-CB 4.15Å; I18-L25 HydrophobicContact CG2-CD1 4.13Å; I18-L25 PolarHBondContact O-N 3.25Å; I18-A26 HydrophobicContact CB-CB 4.14Å; I18-A26 HydrophobicContact CD1-CB 4.06Å; I18-A26 HydrophobicContact CG1-CB 4.17Å; I18-A26 PolarHBondContact N-O 3.17Å; I18-A26 PolarHBondContact O-N 2.98Å |
| 19 | V | 91.8 | Very high | 85 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.8 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | D4 L23 L24 | D4-V19 HydrophobicContact CB-CB 4.3Å; D4-V19 PolarHBondContact N-O 2.88Å; D4-V19 VanDerWaalsContact N-O 3.16Å; D4-V19 PolarHBondContact O-N 2.84Å; V19-L23 WeakPolarHBondContact CA-O 3.32Å; V19-L24 HydrophobicContact CG2-CD1 3.94Å |
| 20 | R | 91.2 | Very high | 86.7 | Confident | 137 Ų | 137 | 76 Ų | 76 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.5 | 175.2 | 177.4 | 176.5 | -63 | 171.9 | 1.9 | 108.9 | N3 G22 L23 L25 | N3-R20 WeakPolarHBondContact OD1-CG 3.49Å; R20-G22 PolarHBondContact O-N 3.05Å; R20-L23 PolarHBondContact N-O 3.12Å; R20-L23 WeakPolarHBondContact O-CA 3.4Å; R20-L23 WeakPolarHBondContact O-CB 3.12Å; R20-L23 PolarHBondContact O-N 2.82Å; R20-L25 HydrophobicContact CB-CD1 3.59Å; R20-L25 HydrophobicContact CB-CG 4.11Å |
| 21 | D | 92.2 | Very high | 87.6 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.2 | 178.4 | -56.2 | -45.5 | 0 | 0 | 0 | 112.9 | M1 L23 | M1-D21 VanDerWaalsContact CB-OD1 3.28Å; M1-D21 WeakPolarHBondContact CB-OD1 3.36Å; M1-D21 WeakPolarHBondContact CG-OD1 3.28Å; D21-L23 PolarHBondContact O-N 3.19Å |
| 22 | G | 93.5 | Very high | 88.3 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 75% | 0.753 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -6.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R20 | R20-G22 PolarHBondContact O-N 3.05Š|
| 23 | L | 91.7 | Very high | 88.8 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 60% | 0.597 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.2 | 176 | -174.5 | 66 | 0 | 0 | 0 | 111 | V19 R20 D21 L25 | V19-L23 WeakPolarHBondContact CA-O 3.32Å; R20-L23 PolarHBondContact N-O 3.12Å; R20-L23 WeakPolarHBondContact O-CA 3.4Å; R20-L23 WeakPolarHBondContact O-CB 3.12Å; R20-L23 PolarHBondContact O-N 2.82Å; D21-L23 PolarHBondContact O-N 3.19Å; L23-L25 HydrophobicContact CD2-CD2 3.91Å; L23-L25 HydrophobicContact CG-CD2 4.14Å; L23-L25 PolarHBondContact O-N 2.65Å |
| 24 | L | 91.5 | Very high | 89.3 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 110.2 | 171.9 | -176.9 | 67.7 | 0 | 0 | 0 | 110 | V19 A26 N27 | V19-L24 HydrophobicContact CG2-CD1 3.94Å; L24-A26 WeakPolarHBondContact CD1-O 3.28Å; L24-N27 HydrophobicContact CD1-CB 4.23Å; L24-N27 HydrophobicContact CD2-CB 4.06Å; L24-N27 HydrophobicContact CG-CB 4.44Å |
| 25 | L | 93.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 47% | 0.466 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -37.4 | 179.9 | -58.3 | -175 | 0 | 0 | 0 | 112.5 | I18 R20 L23 | I18-L25 HydrophobicContact CB-CB 4.35Å; I18-L25 HydrophobicContact CG2-CB 4.15Å; I18-L25 HydrophobicContact CG2-CD1 4.13Å; I18-L25 PolarHBondContact O-N 3.25Å; R20-L25 HydrophobicContact CB-CD1 3.59Å; R20-L25 HydrophobicContact CB-CG 4.11Å; L23-L25 HydrophobicContact CD2-CD2 3.91Å; L23-L25 HydrophobicContact CG-CD2 4.14Å; L23-L25 PolarHBondContact O-N 2.65Å |
| 26 | A | 91.4 | Very high | 89.4 | Confident | 33 Ų | 33 | 82.7 Ų | 82.7 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K17 I18 L24 | K17-A26 WeakPolarHBondContact CA-O 3.32Å; I18-A26 HydrophobicContact CB-CB 4.14Å; I18-A26 HydrophobicContact CD1-CB 4.06Å; I18-A26 HydrophobicContact CG1-CB 4.17Å; I18-A26 PolarHBondContact N-O 3.17Å; I18-A26 PolarHBondContact O-N 2.98Å; L24-A26 WeakPolarHBondContact CD1-O 3.28Å |
| 27 | N | 91.6 | Very high | 89.4 | Confident | 52 Ų | 52 | 89.2 Ų | 89.2 | 28% | 0.278 | 47% | 0.473 | S | S | . | . | trans | -147.6 | 53.4 | 173.8 | -174.4 | 24 | 0 | 0 | 0 | 111.4 | V16 K17 L24 R29 | V16-N27 WeakPolarHBondContact O-CA 3.15Å; K17-N27 HydrophobicContact CG-CB 4.43Å; K17-N27 WeakPolarHBondContact CG-OD1 3.29Å; L24-N27 HydrophobicContact CD1-CB 4.23Å; L24-N27 HydrophobicContact CD2-CB 4.06Å; L24-N27 HydrophobicContact CG-CB 4.44Å; N27-R29 PolarHBondContact O-N 3.33Å | ||
| 28 | P | 91.5 | Very high | 89 | Confident | 58 Ų | 58 | 91.7 Ų | 91.7 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | trans | -60.5 | 133.6 | 173.2 | 28.2 | -37.2 | 0 | 0 | 0 | 110.2 | G15 V16 W30 | G15-P28 WeakPolarHBondContact CA-O 3.31Å; V16-P28 HydrophobicContact CB-CG 4.49Å; V16-P28 PolarHBondContact N-O 2.95Å; V16-P28 WeakPolarHBondContact O-CD 3.46Å; P28-W30 HydrophobicContact CB-CH2 3.76Å; P28-W30 HydrophobicContact CB-CZ3 3.8Å; P28-W30 HydrophobicContact CG-CH2 4.36Å; P28-W30 HydrophobicContact CG-CZ3 4.32Å | ||
| 29 | R | 89.1 | Confident | 88.6 | Confident | 162 Ų | 162 | 89.9 Ų | 89.9 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 137 | 179.3 | -65.8 | -169.8 | -66.9 | -163.1 | -2.7 | 110.7 | W14 N27 | W14-R29 CarbonylContact O-C 3.56Å; W14-R29 VanDerWaalsContact O-CA 3.32Å; W14-R29 WeakPolarHBondContact O-CA 3.36Å; N27-R29 PolarHBondContact O-N 3.33Å |
| 30 | W | 89.7 | Confident | 88.2 | Confident | 97 Ų | 97 | 91.1 Ų | 91.1 | 37% | 0.367 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.8 | 173.3 | -61.1 | -99 | 0 | 0 | 0 | 109.5 | K13 W14 P28 F48 Y52 | K13-W30 VanDerWaalsContact CA-O 3.29Å; K13-W30 WeakPolarHBondContact CA-O 3.08Å; W14-W30 HydrophobicContact CE3-CD2 4.48Å; W14-W30 AromaticContact CE3-CE3 3.44Å; W14-W30 HydrophobicContact CE3-CE3 3.44Å; W14-W30 VanDerWaalsContact CE3-CE3 3.44Å; W14-W30 AromaticContact CE3-CZ3 3.48Å; W14-W30 HydrophobicContact CE3-CZ3 3.48Å; W14-W30 VanDerWaalsContact CE3-CZ3 3.48Å; W14-W30 AromaticContact CZ3-CE3 3.75Å; W14-W30 HydrophobicContact CZ3-CE3 3.75Å; W14-W30 AromaticContact CZ3-CH2 3.99Å; W14-W30 HydrophobicContact CZ3-CH2 3.99Å; W14-W30 AromaticContact CZ3-CZ3 3.26Å; W14-W30 HydrophobicContact CZ3-CZ3 3.26Å; W14-W30 PolarHBondContact N-O 2.83Å; W14-W30 PolarHBondContact O-N 3.03Å; P28-W30 HydrophobicContact CB-CH2 3.76Å; P28-W30 HydrophobicContact CB-CZ3 3.8Å; P28-W30 HydrophobicContact CG-CH2 4.36Å; P28-W30 HydrophobicContact CG-CZ3 4.32Å; W30-F48 HydrophobicContact CB-CE1 4.36Å; W30-F48 HydrophobicContact CB-CZ 3.66Å; W30-Y52 HydrophobicContact CB-CE2 4.2Å; W30-Y52 AromaticContact CD1-CE1 3.66Å; W30-Y52 AromaticContact CD1-CZ 3.64Å; W30-Y52 HydrophobicContact CD2-CD1 4.06Å; W30-Y52 AromaticContact CD2-CE1 3.83Å; W30-Y52 HydrophobicContact CD2-CE1 3.83Å; W30-Y52 AromaticContact CE2-CD1 3.99Å; W30-Y52 AromaticContact CE2-CE1 3.64Å; W30-Y52 HydrophobicContact CE3-CD1 4.43Å; W30-Y52 HydrophobicContact CG-CD1 4.43Å; W30-Y52 AromaticContact CG-CE1 3.82Å; W30-Y52 HydrophobicContact CG-CE1 3.82Å; W30-Y52 HydrophobicContact CG-CE2 4.26Å; W30-Y52 AromaticContact CG-CZ 3.73Å; W30-Y52 HydrophobicContact CZ2-CD1 4.24Å; W30-Y52 HydrophobicContact CZ2-CE1 4.23Å; W30-Y52 AromaticContact NE1-CE1 3.55Å |
| 31 | K | 85.2 | Confident | 88 | Confident | 139 Ų | 139 | 89.2 Ų | 89.2 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.3 | 175.1 | -60.5 | -178.1 | -175 | 170.3 | 0 | 107.8 | K12 K13 F48 | K12-K31 CarbonylContact O-C 3.6Å; K12-K31 VanDerWaalsContact O-CA 3.31Å; K12-K31 WeakPolarHBondContact O-CA 3.2Å; K13-K31 HydrophobicContact CG-CG 4.24Å; K31-F48 WeakPolarHBondContact O-CZ 3.42Å |
| 32 | C | 82.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 89.5 Ų | 89.5 | 14% | 0.142 | 49% | 0.493 | C | S | . | . | trans | -64.9 | 135.4 | 158.6 | -171.9 | 0 | 0 | 0 | 0 | 106.5 | K12 F40 F48 | K12-C32 PolarHBondContact O-N 3.35Å; C32-F40 HydrophobicContact CB-CD1 4.18Å; C32-F40 HydrophobicContact CB-CE1 3.89Å; C32-F40 WeakPolarHBondContact O-CE1 3.01Å; C32-F48 HydrophobicContact CB-CD1 3.78Å; C32-F48 HydrophobicContact CB-CD2 4.47Å; C32-F48 HydrophobicContact CB-CE1 3.99Å; C32-F48 HydrophobicContact CB-CG 4.05Å; C32-F48 HydrophobicContact CB-CZ 4.38Å | ||
| 33 | I | 85.2 | Confident | 87.5 | Confident | 148 Ų | 148 | 90.3 Ų | 90.3 | 76% | 0.759 | 48% | 0.484 | S | S | * | . | trans | -121.6 | 109.1 | 175.8 | -58.9 | 176.9 | 0 | 0 | 0 | 106.1 | ||||
| 34 | A | 85.2 | Confident | 87.3 | Confident | 20 Ų | 20 | 89.7 Ų | 89.7 | 17% | 0.165 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -77 | 152.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G39 F40 | A34-G39 WeakPolarHBondContact CB-O 3.24Å; A34-F40 HydrophobicContact CB-CD1 4.18Å; A34-F40 HydrophobicContact CB-CD2 4.12Å; A34-F40 HydrophobicContact CB-CE1 4.07Å; A34-F40 HydrophobicContact CB-CE2 4.02Å; A34-F40 HydrophobicContact CB-CG 4.23Å; A34-F40 HydrophobicContact CB-CZ 4.01Å |
| 35 | P | 85.2 | Confident | 87 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 42% | 0.416 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 153.9 | 166.9 | -25.3 | 37 | 0 | 0 | 0 | 111.7 | D37 E38 | P35-D37 PolarHBondContact O-N 3.43Å; P35-E38 HydrophobicContact CB-CB 4.36Å; P35-E38 HydrophobicContact CB-CG 4.22Å; P35-E38 WeakPolarHBondContact CG-OE2 3.48Å; P35-E38 PolarHBondContact O-N 3.02Å |
| 36 | P | 86.7 | Confident | 86.6 | Confident | 111 Ų | 111 | 83.6 Ų | 83.6 | 72% | 0.721 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 141.6 | 169.1 | -23.8 | 34.2 | 0 | 0 | 0 | 110.6 | E38 | P36-E38 PolarHBondContact O-N 3.45Š|
| 37 | D | 87.2 | Confident | 86.5 | Confident | 176 Ų | 176 | 90 Ų | 90 | 94% | 0.941 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -2.8 | 175 | -50 | -44.2 | 0 | 0 | 0 | 118 | P35 | P35-D37 PolarHBondContact O-N 3.43Š|
| 38 | E | 82.7 | Confident | 86.2 | Confident | 127 Ų | 127 | 89.3 Ų | 89.3 | 59% | 0.593 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.6 | -179.1 | -70.9 | -177.4 | -167.8 | 0 | 0 | 114.7 | P35 P36 | P35-E38 HydrophobicContact CB-CB 4.36Å; P35-E38 HydrophobicContact CB-CG 4.22Å; P35-E38 WeakPolarHBondContact CG-OE2 3.48Å; P35-E38 PolarHBondContact O-N 3.02Å; P36-E38 PolarHBondContact O-N 3.45Å |
| 39 | G | 82.3 | Confident | 85.9 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | trans | 63.3 | -178.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A34 | A34-G39 WeakPolarHBondContact CB-O 3.24Š| ||
| 40 | F | 84.4 | Confident | 85.8 | Confident | 62 Ų | 62 | 87 Ų | 87 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | trans | -97.9 | 122.2 | -176.8 | -71.1 | -98 | 0 | 0 | 0 | 109.9 | K12 C32 A34 | K12-F40 HydrophobicContact CB-CD1 4.24Å; K12-F40 HydrophobicContact CB-CE1 3.96Å; K12-F40 HydrophobicContact CB-CZ 4.25Å; K12-F40 HydrophobicContact CD-CD1 4.15Å; K12-F40 HydrophobicContact CD-CD2 3.57Å; K12-F40 HydrophobicContact CD-CE1 3.97Å; K12-F40 HydrophobicContact CD-CE2 3.36Å; K12-F40 HydrophobicContact CD-CG 3.95Å; K12-F40 HydrophobicContact CD-CZ 3.57Å; K12-F40 HydrophobicContact CG-CD1 3.71Å; K12-F40 HydrophobicContact CG-CD2 3.98Å; K12-F40 HydrophobicContact CG-CE1 3.77Å; K12-F40 HydrophobicContact CG-CE2 4.04Å; K12-F40 HydrophobicContact CG-CG 3.8Å; K12-F40 HydrophobicContact CG-CZ 3.92Å; C32-F40 HydrophobicContact CB-CD1 4.18Å; C32-F40 HydrophobicContact CB-CE1 3.89Å; C32-F40 WeakPolarHBondContact O-CE1 3.01Å; A34-F40 HydrophobicContact CB-CD1 4.18Å; A34-F40 HydrophobicContact CB-CD2 4.12Å; A34-F40 HydrophobicContact CB-CE1 4.07Å; A34-F40 HydrophobicContact CB-CE2 4.02Å; A34-F40 HydrophobicContact CB-CG 4.23Å; A34-F40 HydrophobicContact CB-CZ 4.01Å | ||
| 41 | Q | 87.1 | Confident | 85.7 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | trans | -81.3 | 130.6 | 172.8 | -57.7 | -57.4 | -41.7 | 0 | 0 | 109.9 | T43 E44 T45 | Q41-T43 VanDerWaalsContact C-N 3.26Å; Q41-T43 PolarHBondContact O-N 2.97Å; Q41-E44 HydrophobicContact CB-CB 4.13Å; Q41-E44 HydrophobicContact CB-CG 3.88Å; Q41-E44 WeakPolarHBondContact CB-OE2 3.49Å; Q41-E44 WeakPolarHBondContact CG-OE2 3.34Å; Q41-E44 PolarHBondContact O-N 2.85Å; Q41-T45 PolarHBondContact O-N 3Å; Q41-T45 PolarHBondContact O-OG1 3.34Å | ||
| 42 | P | 86 | Confident | 85.5 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 67% | 0.669 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.7 | -40.3 | 179.4 | -28.2 | 35.3 | 0 | 0 | 0 | 113.1 | T45 A46 | P42-T45 PolarHBondContact O-N 3.47Å; P42-A46 WeakPolarHBondContact O-CB 3.08Å; P42-A46 PolarHBondContact O-N 2.96Å |
| 43 | T | 88.6 | Confident | 84.4 | Confident | 90 Ų | 90 | 88.9 Ų | 88.9 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 179.3 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | Q41 A46 R47 | Q41-T43 VanDerWaalsContact C-N 3.26Å; Q41-T43 PolarHBondContact O-N 2.97Å; T43-A46 PolarHBondContact O-N 3.42Å; T43-R47 WeakPolarHBondContact O-CG 3.4Å; T43-R47 PolarHBondContact O-N 3.28Å |
| 44 | E | 86.5 | Confident | 84.4 | Confident | 102 Ų | 102 | 86 Ų | 86 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 178.2 | -65.2 | 178.1 | 153.6 | 0 | 0 | 111.4 | Q41 A46 R47 F48 | Q41-E44 HydrophobicContact CB-CB 4.13Å; Q41-E44 HydrophobicContact CB-CG 3.88Å; Q41-E44 WeakPolarHBondContact CB-OE2 3.49Å; Q41-E44 WeakPolarHBondContact CG-OE2 3.34Å; Q41-E44 PolarHBondContact O-N 2.85Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 3.44Å; E44-R47 PolarHBondContact O-N 3.29Å; E44-F48 WeakPolarHBondContact O-CB 3.35Å; E44-F48 PolarHBondContact O-N 2.96Å |
| 45 | T | 84.8 | Confident | 84.3 | Confident | 9 Ų | 9 | 89.4 Ų | 89.4 | 6% | 0.055 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | A11 Q41 P42 F48 H49 | A11-T45 WeakPolarHBondContact O-CG2 3.37Å; A11-T45 PolarHBondContact O-OG1 3.42Å; Q41-T45 PolarHBondContact O-N 3Å; Q41-T45 PolarHBondContact O-OG1 3.34Å; P42-T45 PolarHBondContact O-N 3.47Å; T45-F48 WeakPolarHBondContact O-CB 3.36Å; T45-F48 PolarHBondContact O-N 3.42Å; T45-H49 PolarHBondContact O-N 2.69Å |
| 46 | A | 86.3 | Confident | 84.3 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | P42 T43 E44 H49 Q50 | P42-A46 WeakPolarHBondContact O-CB 3.08Å; P42-A46 PolarHBondContact O-N 2.96Å; T43-A46 PolarHBondContact O-N 3.42Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 3.44Å; A46-H49 PolarHBondContact O-N 3.22Å; A46-Q50 WeakPolarHBondContact O-CG 3.46Å; A46-Q50 PolarHBondContact O-N 3.24Å |
| 47 | R | 87.9 | Confident | 84.1 | Confident | 168 Ų | 168 | 89.6 Ų | 89.6 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 174.4 | -73.2 | 175.7 | -179.5 | 171.6 | 0.7 | 112.2 | T43 E44 Q50 S51 | T43-R47 WeakPolarHBondContact O-CG 3.4Å; T43-R47 PolarHBondContact O-N 3.28Å; E44-R47 PolarHBondContact O-N 3.29Å; R47-Q50 PolarHBondContact O-N 3.48Å; R47-S51 PolarHBondContact O-N 3.33Å |
| 48 | F | 86.1 | Confident | 83.9 | Confident | 36 Ų | 36 | 84.3 Ų | 84.3 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 174.9 | 171.7 | -96.8 | 0 | 0 | 0 | 111 | W14 W30 K31 C32 E44 T45 Q50 S51 Y52 | W14-F48 HydrophobicContact CB-CE1 4.34Å; W30-F48 HydrophobicContact CB-CE1 4.36Å; W30-F48 HydrophobicContact CB-CZ 3.66Å; K31-F48 WeakPolarHBondContact O-CZ 3.42Å; C32-F48 HydrophobicContact CB-CD1 3.78Å; C32-F48 HydrophobicContact CB-CD2 4.47Å; C32-F48 HydrophobicContact CB-CE1 3.99Å; C32-F48 HydrophobicContact CB-CG 4.05Å; C32-F48 HydrophobicContact CB-CZ 4.38Å; E44-F48 WeakPolarHBondContact O-CB 3.35Å; E44-F48 PolarHBondContact O-N 2.96Å; T45-F48 WeakPolarHBondContact O-CB 3.36Å; T45-F48 PolarHBondContact O-N 3.42Å; F48-Q50 VanDerWaalsContact C-N 3.34Å; F48-Q50 PolarHBondContact O-N 2.92Å; F48-S51 PolarHBondContact O-N 3.41Å; F48-S51 PolarHBondContact O-OG 3.2Å; F48-Y52 AromaticContact CD2-CE2 3.85Å; F48-Y52 HydrophobicContact CD2-CE2 3.85Å; F48-Y52 HydrophobicContact CE1-CE2 4.13Å; F48-Y52 HydrophobicContact CE2-CD2 4.49Å; F48-Y52 AromaticContact CE2-CE2 3.43Å; F48-Y52 HydrophobicContact CE2-CE2 3.43Å; F48-Y52 VanDerWaalsContact CE2-CE2 3.43Å; F48-Y52 HydrophobicContact CG-CE2 4.38Å; F48-Y52 HydrophobicContact CZ-CD2 4.4Å; F48-Y52 AromaticContact CZ-CE2 3.58Å; F48-Y52 HydrophobicContact CZ-CE2 3.58Å; F48-Y52 VanDerWaalsContact O-CD2 3.24Å; F48-Y52 WeakPolarHBondContact O-CD2 3.39Å |
| 49 | H | 85.5 | Confident | 84 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 18% | 0.181 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 175.1 | -65.9 | 167.4 | 0 | 0 | 0 | 112.6 | N10 K13 T45 A46 S51 Y52 | N10-H49 PolarHBondContact O-CE1 3.16Å; N10-H49 PolarHBondContact O-NE2 3.32Å; K13-H49 PolarHBondContact O-NE2 3.21Å; T45-H49 PolarHBondContact O-N 2.69Å; A46-H49 PolarHBondContact O-N 3.22Å; H49-S51 VanDerWaalsContact C-N 3.29Å; H49-S51 PolarHBondContact O-N 2.99Å; H49-Y52 PolarHBondContact O-N 3.33Å |
| 50 | Q | 87.3 | Confident | 84.1 | Confident | 134 Ų | 134 | 84.4 Ų | 84.4 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -28.7 | 177.6 | -72.4 | 170.7 | -7.8 | 0 | 0 | 113.2 | A46 R47 F48 Y52 C53 | A46-Q50 WeakPolarHBondContact O-CG 3.46Å; A46-Q50 PolarHBondContact O-N 3.24Å; R47-Q50 PolarHBondContact O-N 3.48Å; F48-Q50 VanDerWaalsContact C-N 3.34Å; F48-Q50 PolarHBondContact O-N 2.92Å; Q50-Y52 PolarHBondContact O-N 3.03Å; Q50-C53 PolarHBondContact O-N 3.27Å |
| 51 | S | 87.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 86.1 Ų | 86.1 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.7 | 178.2 | 69.2 | 0 | 0 | 0 | 0 | 114.9 | R47 F48 H49 | R47-S51 PolarHBondContact O-N 3.33Å; F48-S51 PolarHBondContact O-N 3.41Å; F48-S51 PolarHBondContact O-OG 3.2Å; H49-S51 VanDerWaalsContact C-N 3.29Å; H49-S51 PolarHBondContact O-N 2.99Å |
| 52 | Y | 80 | Confident | 83.9 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 2.4 | 177.4 | -62.3 | -80.5 | 0 | 0 | 0 | 113.9 | W14 W30 F48 H49 Q50 | W14-Y52 HydrophobicContact CD2-CG 4.46Å; W14-Y52 HydrophobicContact CE3-CD2 4.4Å; W14-Y52 AromaticContact CE3-CG 3.91Å; W14-Y52 HydrophobicContact CE3-CG 3.91Å; W14-Y52 WeakPolarHBondContact CH2-O 3.4Å; W14-Y52 WeakPolarHBondContact CZ2-O 3.5Å; W14-Y52 VanDerWaalsContact CZ3-CB 3.4Å; W14-Y52 HydrophobicContact CZ3-CG 4.16Å; W30-Y52 HydrophobicContact CB-CE2 4.2Å; W30-Y52 AromaticContact CD1-CE1 3.66Å; W30-Y52 AromaticContact CD1-CZ 3.64Å; W30-Y52 HydrophobicContact CD2-CD1 4.06Å; W30-Y52 AromaticContact CD2-CE1 3.83Å; W30-Y52 HydrophobicContact CD2-CE1 3.83Å; W30-Y52 AromaticContact CE2-CD1 3.99Å; W30-Y52 AromaticContact CE2-CE1 3.64Å; W30-Y52 HydrophobicContact CE3-CD1 4.43Å; W30-Y52 HydrophobicContact CG-CD1 4.43Å; W30-Y52 AromaticContact CG-CE1 3.82Å; W30-Y52 HydrophobicContact CG-CE1 3.82Å; W30-Y52 HydrophobicContact CG-CE2 4.26Å; W30-Y52 AromaticContact CG-CZ 3.73Å; W30-Y52 HydrophobicContact CZ2-CD1 4.24Å; W30-Y52 HydrophobicContact CZ2-CE1 4.23Å; W30-Y52 AromaticContact NE1-CE1 3.55Å; F48-Y52 AromaticContact CD2-CE2 3.85Å; F48-Y52 HydrophobicContact CD2-CE2 3.85Å; F48-Y52 HydrophobicContact CE1-CE2 4.13Å; F48-Y52 HydrophobicContact CE2-CD2 4.49Å; F48-Y52 AromaticContact CE2-CE2 3.43Å; F48-Y52 HydrophobicContact CE2-CE2 3.43Å; F48-Y52 VanDerWaalsContact CE2-CE2 3.43Å; F48-Y52 HydrophobicContact CG-CE2 4.38Å; F48-Y52 HydrophobicContact CZ-CD2 4.4Å; F48-Y52 AromaticContact CZ-CE2 3.58Å; F48-Y52 HydrophobicContact CZ-CE2 3.58Å; F48-Y52 VanDerWaalsContact O-CD2 3.24Å; F48-Y52 WeakPolarHBondContact O-CD2 3.39Å; H49-Y52 PolarHBondContact O-N 3.33Å; Q50-Y52 PolarHBondContact O-N 3.03Å |
| 53 | C | 60.2 | Low | 83.7 | Confident | 129 Ų | 129 | 83.5 Ų | 83.5 | 87% | 0.872 | 44% | 0.438 | S | S | * | . | trans | -107.7 | 0 | 173.2 | -76.3 | 0 | 0 | 0 | 0 | 110.6 | Q50 | Q50-C53 PolarHBondContact O-N 3.27Š|
Retrieved 53 of 53 residues in 17.4 ms
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