| 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 | P | 81.8 | Confident | 87.1 | Confident | 162 Ų | 162 | 73.8 Ų | 73.8 | 100% | 1.052 | 43% | 0.431 | S | S | * | . | 0 | 152.4 | 0 | 14.3 | -31.2 | 0 | 0 | 0 | 108.6 | K11 | P1-K11 WeakPolarHBondContact O-CB 3.35Š| |||
| 2 | C | 86.6 | Confident | 87.2 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 22% | 0.216 | 43% | 0.431 | C | S | . | . | trans | -68.8 | 138.3 | 174.5 | -159.2 | 0 | 0 | 0 | 0 | 109.8 | M4 C35 N36 | C2-M4 PolarHBondContact SG-O 3.08Å; C2-C35 VanDerWaalsContact CA-SG 3.5Å; C2-C35 HydrophobicContact CB-CB 3.86Å; C2-C35 WeakPolarHBondContact CB-SG 2.98Å; C2-C35 VanDerWaalsContact SG-C 3.52Å; C2-C35 WeakPolarHBondContact SG-CB 3.43Å; C2-C35 CovalentContact SG-SG 2.03Å; C2-C35 PolarHBondContact SG-SG 2.83Å; C2-N36 WeakPolarHBondContact CB-ND2 3.44Å | ||
| 3 | Q | 87.4 | Confident | 87.1 | Confident | 123 Ų | 123 | 81 Ų | 81 | 58% | 0.575 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -68.1 | -38.4 | -178.2 | -177.1 | 174 | -35.6 | 0 | 0 | 112.7 | F10 | Q3-F10 WeakPolarHBondContact CB-O 3.44Å; Q3-F10 PolarHBondContact N-O 3.27Å; Q3-F10 VanDerWaalsContact OE1-CE2 3.31Å |
| 4 | M | 85.9 | Confident | 86.9 | Confident | 92 Ų | 92 | 84.6 Ų | 84.6 | 45% | 0.453 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -105.5 | 136.5 | 176.5 | -60.3 | -60.8 | -80.5 | 0 | 0 | 109.9 | C2 C6 N36 | C2-M4 PolarHBondContact SG-O 3.08Å; M4-C6 VanDerWaalsContact C-N 3.26Å; M4-C6 PolarHBondContact O-N 3.17Å; M4-N36 PolarHBondContact O-ND2 2.75Å |
| 5 | P | 86.9 | Confident | 86.5 | Confident | 107 Ų | 107 | 88.4 Ų | 88.4 | 70% | 0.695 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -69.2 | -24.9 | 179 | 26.9 | -33.1 | 0 | 0 | 0 | 112.7 | N36 | P5-N36 PolarHBondContact O-ND2 3.33Š|
| 6 | C | 86.8 | Confident | 86 | Confident | 25 Ų | 25 | 91.3 Ų | 91.3 | 17% | 0.169 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -166.4 | 176.4 | -179.3 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | M4 G8 N36 C40 | M4-C6 VanDerWaalsContact C-N 3.26Å; M4-C6 PolarHBondContact O-N 3.17Å; C6-G8 PolarHBondContact O-N 3.08Å; C6-N36 CarbonylContact C-O 3.52Å; C6-N36 WeakPolarHBondContact CA-O 3.05Å; C6-C40 HydrophobicContact CB-CB 3.9Å; C6-C40 WeakPolarHBondContact CB-SG 3.29Å; C6-C40 WeakPolarHBondContact SG-CA 3.05Å; C6-C40 WeakPolarHBondContact SG-CB 3.4Å; C6-C40 CovalentContact SG-SG 2.01Å; C6-C40 PolarHBondContact SG-SG 3.31Å |
| 7 | S | 85.3 | Confident | 85.3 | Confident | 85 Ų | 85 | 89.8 Ų | 89.8 | 59% | 0.594 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 62.5 | 22.4 | -175.7 | -58.4 | 0 | 0 | 0 | 0 | 115.1 | N36 G38 C40 | S7-N36 PolarHBondContact N-O 3.2Å; S7-G38 PolarHBondContact N-O 3.12Å; S7-C40 PolarHBondContact OG-SG 3.11Å |
| 8 | G | 86.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 98.8 Ų | 98.8 | 21% | 0.206 | 51% | 0.507 | C | S | . | . | trans | 87.1 | 126 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C6 N36 M37 | C6-G8 PolarHBondContact O-N 3.08Å; G8-N36 WeakPolarHBondContact CA-O 3.49Å; G8-N36 PolarHBondContact N-O 2.83Å; G8-M37 WeakPolarHBondContact CA-SD 3.47Å | ||
| 9 | G | 88.9 | Confident | 84 | Confident | 10 Ų | 10 | 98.8 Ų | 98.8 | 10% | 0.103 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | -173.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C35 M37 | G9-C35 PolarHBondContact N-O 3.36Å; G9-C35 PolarHBondContact O-N 3.25Å; G9-M37 WeakPolarHBondContact O-CE 3.01Å |
| 10 | F | 91.2 | Very high | 83 | Confident | 89 Ų | 89 | 100.8 Ų | 100.8 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.7 | 172.9 | 60.1 | -87.1 | 0 | 0 | 0 | 111.1 | Q3 T32 E33 | Q3-F10 WeakPolarHBondContact CB-O 3.44Å; Q3-F10 PolarHBondContact N-O 3.27Å; Q3-F10 VanDerWaalsContact OE1-CE2 3.31Å; F10-T32 HydrophobicContact CB-CG2 3.45Å; F10-T32 VanDerWaalsContact CB-CG2 3.45Å; F10-T32 HydrophobicContact CD2-CG2 3.79Å; F10-T32 HydrophobicContact CG-CG2 3.82Å; F10-E33 CarbonylContact C-O 3.58Å; F10-E33 VanDerWaalsContact CA-O 3.26Å; F10-E33 WeakPolarHBondContact CA-O 3.38Å |
| 11 | K | 90.5 | Very high | 82.2 | Confident | 67 Ų | 67 | 100.8 Ų | 100.8 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.3 | 167.1 | 65.5 | -175.5 | -179.4 | -173.8 | 0 | 108.5 | P1 E33 | P1-K11 WeakPolarHBondContact O-CB 3.35Å; K11-E33 WeakPolarHBondContact CE-OE1 3.3Å; K11-E33 WeakPolarHBondContact CE-OE2 3.39Å; K11-E33 HydrophobicContact CG-CB 4.1Å; K11-E33 PolarHBondContact N-O 3.42Å; K11-E33 IonicContact NZ-OE1 2.67Å; K11-E33 PolarHBondContact NZ-OE1 3.25Å; K11-E33 IonicContact NZ-OE2 3.18Å; K11-E33 PolarHBondContact NZ-OE2 3.25Å; K11-E33 PolarHBondContact O-N 2.99Å |
| 12 | L | 88.5 | Confident | 81.2 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.9 | 174.3 | -68.4 | 167.4 | 0 | 0 | 0 | 109.8 | W14 Q31 | L12-W14 HydrophobicContact CB-CH2 4.35Å; L12-W14 HydrophobicContact CB-CZ2 3.85Å; L12-W14 HydrophobicContact CD1-CH2 3.75Å; L12-W14 HydrophobicContact CD1-CZ2 3.68Å; L12-W14 HydrophobicContact CG-CZ2 4.36Å; L12-Q31 CarbonylContact C-O 3.59Å; L12-Q31 WeakPolarHBondContact CA-O 3.41Å |
| 13 | R | 86.1 | Confident | 80.3 | Confident | 160 Ų | 160 | 98 Ų | 98 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.7 | 171.7 | -178 | -179.4 | 180 | -177.2 | 0.9 | 108.6 | A30 Q31 | R13-A30 CarbonylContact O-C 3.48Å; R13-A30 WeakPolarHBondContact O-CA 3.44Å; R13-Q31 PolarHBondContact N-O 3.28Å; R13-Q31 PolarHBondContact O-N 3.46Å |
| 14 | W | 84.3 | Confident | 79.2 | Confident | 131 Ų | 131 | 101.5 Ų | 101.5 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 142.7 | -179.2 | -46.5 | 103.4 | 0 | 0 | 0 | 110.7 | L12 W29 A30 | L12-W14 HydrophobicContact CB-CH2 4.35Å; L12-W14 HydrophobicContact CB-CZ2 3.85Å; L12-W14 HydrophobicContact CD1-CH2 3.75Å; L12-W14 HydrophobicContact CD1-CZ2 3.68Å; L12-W14 HydrophobicContact CG-CZ2 4.36Å; W14-W29 CarbonylContact C-O 3.57Å; W14-W29 WeakPolarHBondContact CA-O 3.33Å; W14-W29 HydrophobicContact CD2-CE3 4.42Å; W14-W29 HydrophobicContact CD2-CZ3 4.12Å; W14-W29 HydrophobicContact CE3-CD2 4.3Å; W14-W29 AromaticContact CE3-CE3 3.32Å; W14-W29 HydrophobicContact CE3-CE3 3.32Å; W14-W29 AromaticContact CE3-CH2 3.9Å; W14-W29 HydrophobicContact CE3-CH2 3.9Å; W14-W29 AromaticContact CE3-CZ3 3.1Å; W14-W29 HydrophobicContact CE3-CZ3 3.1Å; W14-W29 AromaticContact CH2-CH2 3.88Å; W14-W29 HydrophobicContact CH2-CH2 3.88Å; W14-W29 AromaticContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CZ3-CD2 4.32Å; W14-W29 AromaticContact CZ3-CE3 3.54Å; W14-W29 HydrophobicContact CZ3-CE3 3.54Å; W14-W29 AromaticContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CZ2 4.03Å; W14-W29 AromaticContact CZ3-CZ3 2.94Å; W14-W29 HydrophobicContact CZ3-CZ3 2.94Å; W14-A30 HydrophobicContact CE3-CB 3.37Å; W14-A30 HydrophobicContact CH2-CB 4.34Å; W14-A30 HydrophobicContact CZ3-CB 3.25Å |
| 15 | R | 81.3 | Confident | 78.4 | Confident | 142 Ų | 142 | 102.2 Ų | 102.2 | 54% | 0.536 | 56% | 0.562 | S | S | . | * | trans | -97.8 | 131.3 | 165.4 | -73.2 | -169.6 | -80.2 | -109.8 | 11.9 | 108.6 | P28 W29 | R15-P28 PolarHBondContact NE-O 2.75Å; R15-P28 PolarHBondContact NH2-O 3.16Å; R15-W29 PolarHBondContact N-O 3.49Å | ||
| 16 | V | 77.3 | Confident | 77.8 | Confident | 134 Ų | 134 | 103.5 Ų | 103.5 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | trans | -111.6 | 127.5 | 176.6 | -173.2 | 0 | 0 | 0 | 0 | 108 | R18 | V16-R18 PolarHBondContact O-N 2.93Š| ||
| 17 | A | 74.9 | Confident | 77.2 | Confident | 67 Ų | 67 | 104.8 Ų | 104.8 | 55% | 0.554 | 59% | 0.588 | S | S | * | * | trans | -65 | 128.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 18 | R | 74.9 | Confident | 76.6 | Confident | 252 Ų | 252 | 105 Ų | 105 | 95% | 0.951 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -81.7 | -22.7 | -177 | -168.2 | 177.5 | -72.4 | 161.8 | -3.9 | 112.5 | V16 | V16-R18 PolarHBondContact O-N 2.93Š|
| 19 | D | 70.5 | Confident | 76.2 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | trans | -134.4 | 129.8 | 179.3 | -167.8 | -10.1 | 0 | 0 | 0 | 109.1 | S21 | D19-S21 WeakPolarHBondContact OD1-CB 3.38Å; D19-S21 PolarHBondContact OD1-N 3.49Å; D19-S21 PolarHBondContact OD1-OG 2.03Å; D19-S21 PolarHBondContact OD2-OG 3.38Å | ||
| 20 | T | 64.2 | Low | 76 | Confident | 139 Ų | 139 | 113.4 Ų | 113.4 | 85% | 0.853 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -98.6 | -2.5 | -179.2 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 21 | S | 65.3 | Low | 75.8 | Confident | 100 Ų | 100 | 113.9 Ų | 113.9 | 70% | 0.699 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -85.8 | -10 | -176.7 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | D19 | D19-S21 WeakPolarHBondContact OD1-CB 3.38Å; D19-S21 PolarHBondContact OD1-N 3.49Å; D19-S21 PolarHBondContact OD1-OG 2.03Å; D19-S21 PolarHBondContact OD2-OG 3.38Å |
| 22 | A | 62.3 | Low | 75.7 | Confident | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -120.4 | 64.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 23 | G | 66.6 | Low | 75.8 | Confident | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 63% | 0.63 | S | S | * | * | trans | 61 | 171.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | C25 | G23-C25 PolarHBondContact O-N 2.97Š| ||
| 24 | E | 65.2 | Low | 76 | Confident | 196 Ų | 196 | 111.4 Ų | 111.4 | 92% | 0.916 | 63% | 0.629 | S | S | * | * | trans | -75.8 | 113.4 | 176 | -75.5 | 169.1 | 148.2 | 0 | 0 | 110 | P26 | E24-P26 VanDerWaalsContact O-CD 3.22Å; E24-P26 WeakPolarHBondContact O-CD 3.49Å | ||
| 25 | C | 67.9 | Low | 76.4 | Confident | 106 Ų | 106 | 105.9 Ų | 105.9 | 72% | 0.716 | 61% | 0.611 | S | S | * | * | trans | -72.5 | 114.5 | 174.2 | -69.4 | 0 | 0 | 0 | 0 | 110.1 | G23 G27 | G23-C25 PolarHBondContact O-N 2.97Å; C25-G27 PolarHBondContact O-N 3.39Å | ||
| 26 | P | 74.8 | Confident | 76.7 | Confident | 134 Ų | 134 | 102.8 Ų | 102.8 | 87% | 0.87 | 61% | 0.605 | S | S | * | * | trans | -76 | 116.6 | -179.7 | 29.6 | -31.4 | 0 | 0 | 0 | 110.1 | E24 | E24-P26 VanDerWaalsContact O-CD 3.22Å; E24-P26 WeakPolarHBondContact O-CD 3.49Å | ||
| 27 | G | 73.8 | Confident | 77.2 | Confident | 52 Ų | 52 | 102.2 Ų | 102.2 | 54% | 0.536 | 60% | 0.595 | S | S | . | * | S | Bend | trans | 171.4 | 161.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C25 W29 | C25-G27 PolarHBondContact O-N 3.39Å; G27-W29 PolarHBondContact O-N 3.28Å |
| 28 | P | 74.4 | Confident | 77.7 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 58% | 0.578 | 59% | 0.592 | S | S | * | * | trans | -63.6 | 123.9 | 179.9 | 14.2 | -18 | 0 | 0 | 0 | 109.8 | R15 A30 | R15-P28 PolarHBondContact NE-O 2.75Å; R15-P28 PolarHBondContact NH2-O 3.16Å; P28-A30 PolarHBondContact O-N 3.35Å | ||
| 29 | W | 76.6 | Confident | 78.2 | Confident | 177 Ų | 177 | 94.7 Ų | 94.7 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -82.1 | -8 | -179.8 | 61.8 | -84.7 | 0 | 0 | 0 | 112.3 | W14 R15 G27 | W14-W29 CarbonylContact C-O 3.57Å; W14-W29 WeakPolarHBondContact CA-O 3.33Å; W14-W29 HydrophobicContact CD2-CE3 4.42Å; W14-W29 HydrophobicContact CD2-CZ3 4.12Å; W14-W29 HydrophobicContact CE3-CD2 4.3Å; W14-W29 AromaticContact CE3-CE3 3.32Å; W14-W29 HydrophobicContact CE3-CE3 3.32Å; W14-W29 AromaticContact CE3-CH2 3.9Å; W14-W29 HydrophobicContact CE3-CH2 3.9Å; W14-W29 AromaticContact CE3-CZ3 3.1Å; W14-W29 HydrophobicContact CE3-CZ3 3.1Å; W14-W29 AromaticContact CH2-CH2 3.88Å; W14-W29 HydrophobicContact CH2-CH2 3.88Å; W14-W29 AromaticContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CZ3-CD2 4.32Å; W14-W29 AromaticContact CZ3-CE3 3.54Å; W14-W29 HydrophobicContact CZ3-CE3 3.54Å; W14-W29 AromaticContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CZ2 4.03Å; W14-W29 AromaticContact CZ3-CZ3 2.94Å; W14-W29 HydrophobicContact CZ3-CZ3 2.94Å; R15-W29 PolarHBondContact N-O 3.49Å; G27-W29 PolarHBondContact O-N 3.28Å |
| 30 | A | 84.6 | Confident | 78.9 | Confident | 31 Ų | 31 | 92.8 Ų | 92.8 | 26% | 0.256 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R13 W14 P28 | R13-A30 CarbonylContact O-C 3.48Å; R13-A30 WeakPolarHBondContact O-CA 3.44Å; W14-A30 HydrophobicContact CE3-CB 3.37Å; W14-A30 HydrophobicContact CH2-CB 4.34Å; W14-A30 HydrophobicContact CZ3-CB 3.25Å; P28-A30 PolarHBondContact O-N 3.35Å |
| 31 | Q | 87.4 | Confident | 79.8 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.9 | 136 | 172.6 | -175.9 | 179.2 | 30.8 | 0 | 0 | 109.9 | L12 R13 | L12-Q31 CarbonylContact C-O 3.59Å; L12-Q31 WeakPolarHBondContact CA-O 3.41Å; R13-Q31 PolarHBondContact N-O 3.28Å; R13-Q31 PolarHBondContact O-N 3.46Å |
| 32 | T | 89.1 | Confident | 80.6 | Confident | 91 Ų | 91 | 91 Ų | 91 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.3 | 175 | -51.6 | 0 | 0 | 0 | 0 | 109.7 | F10 | F10-T32 HydrophobicContact CB-CG2 3.45Å; F10-T32 VanDerWaalsContact CB-CG2 3.45Å; F10-T32 HydrophobicContact CD2-CG2 3.79Å; F10-T32 HydrophobicContact CG-CG2 3.82Å |
| 33 | E | 89.4 | Confident | 81.7 | Confident | 80 Ų | 80 | 94.4 Ų | 94.4 | 37% | 0.374 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.5 | 177 | -169.5 | -171.7 | 142 | 0 | 0 | 109.5 | F10 K11 | F10-E33 CarbonylContact C-O 3.58Å; F10-E33 VanDerWaalsContact CA-O 3.26Å; F10-E33 WeakPolarHBondContact CA-O 3.38Å; K11-E33 WeakPolarHBondContact CE-OE1 3.3Å; K11-E33 WeakPolarHBondContact CE-OE2 3.39Å; K11-E33 HydrophobicContact CG-CB 4.1Å; K11-E33 PolarHBondContact N-O 3.42Å; K11-E33 IonicContact NZ-OE1 2.67Å; K11-E33 PolarHBondContact NZ-OE1 3.25Å; K11-E33 IonicContact NZ-OE2 3.18Å; K11-E33 PolarHBondContact NZ-OE2 3.25Å; K11-E33 PolarHBondContact O-N 2.99Å |
| 34 | S | 92.2 | Very high | 82.8 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.1 | 136.9 | 173 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 35 | C | 91.4 | Very high | 84.1 | Confident | 16 Ų | 16 | 93.8 Ų | 93.8 | 11% | 0.108 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.9 | 160.7 | 178.7 | 49.3 | 0 | 0 | 0 | 0 | 111 | C2 G9 M37 | C2-C35 VanDerWaalsContact CA-SG 3.5Å; C2-C35 HydrophobicContact CB-CB 3.86Å; C2-C35 WeakPolarHBondContact CB-SG 2.98Å; C2-C35 VanDerWaalsContact SG-C 3.52Å; C2-C35 WeakPolarHBondContact SG-CB 3.43Å; C2-C35 CovalentContact SG-SG 2.03Å; C2-C35 PolarHBondContact SG-SG 2.83Å; G9-C35 PolarHBondContact N-O 3.36Å; G9-C35 PolarHBondContact O-N 3.25Å; C35-M37 VanDerWaalsContact C-N 3.3Å; C35-M37 PolarHBondContact O-N 3.24Å |
| 36 | N | 88.7 | Confident | 85.3 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | trans | 52.4 | 42.5 | 176.5 | -60.9 | -11.2 | 0 | 0 | 0 | 114.4 | C2 M4 P5 C6 S7 G8 G38 | C2-N36 WeakPolarHBondContact CB-ND2 3.44Å; M4-N36 PolarHBondContact O-ND2 2.75Å; P5-N36 PolarHBondContact O-ND2 3.33Å; C6-N36 CarbonylContact C-O 3.52Å; C6-N36 WeakPolarHBondContact CA-O 3.05Å; S7-N36 PolarHBondContact N-O 3.2Å; G8-N36 WeakPolarHBondContact CA-O 3.49Å; G8-N36 PolarHBondContact N-O 2.83Å; N36-G38 PolarHBondContact O-N 2.9Å | ||
| 37 | M | 87.5 | Confident | 86.2 | Confident | 123 Ų | 123 | 92.3 Ų | 92.3 | 61% | 0.606 | 56% | 0.557 | S | S | * | * | trans | -71.4 | -2.7 | 179.5 | -65.2 | -64.7 | 160.1 | 0 | 0 | 114.2 | G8 G9 C35 | G8-M37 WeakPolarHBondContact CA-SD 3.47Å; G9-M37 WeakPolarHBondContact O-CE 3.01Å; C35-M37 VanDerWaalsContact C-N 3.3Å; C35-M37 PolarHBondContact O-N 3.24Å | ||
| 38 | G | 85.5 | Confident | 86.9 | Confident | 47 Ų | 47 | 92.2 Ų | 92.2 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -75.7 | 148.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S7 N36 | S7-G38 PolarHBondContact N-O 3.12Å; N36-G38 PolarHBondContact O-N 2.9Å |
| 39 | S | 85.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 79% | 0.79 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 142.7 | 176 | -53 | 0 | 0 | 0 | 0 | 111.9 | ||
| 40 | C | 83.5 | Confident | 88.6 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.7 | 171.6 | -61 | 0 | 0 | 0 | 0 | 111.4 | C6 S7 G42 | C6-C40 HydrophobicContact CB-CB 3.9Å; C6-C40 WeakPolarHBondContact CB-SG 3.29Å; C6-C40 WeakPolarHBondContact SG-CA 3.05Å; C6-C40 WeakPolarHBondContact SG-CB 3.4Å; C6-C40 CovalentContact SG-SG 2.01Å; C6-C40 PolarHBondContact SG-SG 3.31Å; S7-C40 PolarHBondContact OG-SG 3.11Å; C40-G42 PolarHBondContact O-N 2.01Å |
| 41 | P | 82.9 | Confident | 89.1 | Confident | 130 Ų | 130 | 90.7 Ų | 90.7 | 84% | 0.844 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.7 | 165.7 | 26.2 | -30.9 | 0 | 0 | 0 | 109.4 | ||
| 42 | G | 83.4 | Confident | 89.2 | Confident | 72 Ų | 72 | 87.7 Ų | 87.7 | 74% | 0.742 | 54% | 0.538 | S | S | * | . | trans | -171.2 | 167.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C40 | C40-G42 PolarHBondContact O-N 2.01Š| ||
| 43 | C | 85.3 | Confident | 89.3 | Confident | 142 Ų | 142 | 88.8 Ų | 88.8 | 96% | 0.959 | 54% | 0.54 | S | S | * | . | trans | -76.4 | 136.4 | 174.8 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 44 | R | 89 | Confident | 89.3 | Confident | 238 Ų | 238 | 88.2 Ų | 88.2 | 90% | 0.898 | 56% | 0.556 | S | S | * | * | trans | -132.7 | 146.8 | 174.6 | -171.1 | -176 | 174.6 | 172.4 | 1.6 | 109.1 | ||||
| 45 | C | 93.2 | Very high | 89.4 | Confident | 11 Ų | 11 | 90.7 Ų | 90.7 | 7% | 0.074 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -64.7 | 153.7 | 170.7 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | Q49 V51 C56 | C45-Q49 HydrophobicContact CB-CB 3.93Å; C45-V51 WeakPolarHBondContact SG-CG2 3.31Å; C45-C56 WeakPolarHBondContact CA-SG 3.25Å; C45-C56 HydrophobicContact CB-CB 3.81Å; C45-C56 WeakPolarHBondContact CB-SG 3.5Å; C45-C56 WeakPolarHBondContact SG-CA 3.46Å; C45-C56 WeakPolarHBondContact SG-CB 3.31Å; C45-C56 CovalentContact SG-SG 2.03Å; C45-C56 PolarHBondContact SG-SG 2.96Å |
| 46 | P | 93.6 | Very high | 89.5 | Confident | 73 Ų | 73 | 92.9 Ų | 92.9 | 47% | 0.474 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 160.7 | 170.3 | -21.7 | 32.5 | 0 | 0 | 0 | 112.3 | G48 Q49 | P46-G48 PolarHBondContact O-N 3.43Å; P46-Q49 PolarHBondContact O-N 2.85Å |
| 47 | P | 92.6 | Very high | 89.8 | Confident | 137 Ų | 137 | 90.6 Ų | 90.6 | 89% | 0.89 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 133.2 | 174.3 | -24.6 | 34.2 | 0 | 0 | 0 | 112.1 | ||
| 48 | G | 89.1 | Confident | 90.2 | Very high | 50 Ų | 50 | 87.4 Ų | 87.4 | 52% | 0.515 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 86.9 | 2.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P46 I59 | P46-G48 PolarHBondContact O-N 3.43Å; G48-I59 PolarHBondContact O-N 2.86Å |
| 49 | Q | 94.7 | Very high | 90.5 | Very high | 74 Ų | 74 | 88.4 Ų | 88.4 | 35% | 0.346 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151 | 175.7 | -64.6 | -177.7 | 9.4 | 0 | 0 | 111.7 | C45 P46 C56 V57 | C45-Q49 HydrophobicContact CB-CB 3.93Å; P46-Q49 PolarHBondContact O-N 2.85Å; Q49-C56 HydrophobicContact CB-CB 4.31Å; Q49-C56 VanDerWaalsContact OE1-CB 3.25Å; Q49-V57 CarbonylContact C-O 3.54Å; Q49-V57 WeakPolarHBondContact CA-O 3.4Å; Q49-V57 WeakPolarHBondContact CB-O 3.41Å |
| 50 | L | 92.8 | Very high | 90.8 | Very high | 93 Ų | 93 | 86.6 Ų | 86.6 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152.3 | 178.9 | -64 | 176.7 | 0 | 0 | 0 | 110.1 | C56 V57 I59 | L50-C56 WeakPolarHBondContact O-CA 3.33Å; L50-V57 PolarHBondContact N-O 2.96Å; L50-V57 WeakPolarHBondContact O-CG2 3.4Å; L50-V57 PolarHBondContact O-N 3.36Å; L50-I59 HydrophobicContact CD1-CG1 4.1Å; L50-I59 HydrophobicContact CG-CG1 4.16Å |
| 51 | V | 93.6 | Very high | 91.3 | Very high | 98 Ų | 98 | 86.5 Ų | 86.5 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.6 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | C45 H55 | C45-V51 WeakPolarHBondContact SG-CG2 3.31Å; V51-H55 CarbonylContact C-O 3.46Å; V51-H55 VanDerWaalsContact CA-O 3.3Å; V51-H55 WeakPolarHBondContact CA-O 3.4Å |
| 52 | Q | 90.4 | Very high | 91.8 | Very high | 36 Ų | 36 | 80.7 Ų | 80.7 | 17% | 0.168 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 125.8 | 173.8 | -169.3 | 178 | -84.3 | 0 | 0 | 108.2 | G54 H55 V57 R63 | Q52-G54 PolarHBondContact O-N 2.82Å; Q52-H55 PolarHBondContact N-O 3.23Å; Q52-H55 PolarHBondContact O-N 2.97Å; Q52-H55 VanDerWaalsContact O-N 3.08Å; Q52-H55 VanDerWaalsContact O-O 3.13Å; Q52-V57 HydrophobicContact CB-CG1 4.34Å; Q52-V57 HydrophobicContact CB-CG2 3.54Å; Q52-V57 HydrophobicContact CG-CG2 4.48Å; Q52-R63 VanDerWaalsContact CD-CG 3.44Å; Q52-R63 VanDerWaalsContact CD-NH1 3.29Å; Q52-R63 HydrophobicContact CG-CG 4.32Å |
| 53 | D | 90.5 | Very high | 92.3 | Very high | 113 Ų | 113 | 80.1 Ų | 80.1 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 36.9 | -172.1 | -53 | -42.8 | 0 | 0 | 0 | 114.5 | H55 R63 | D53-H55 PolarHBondContact O-N 2.96Å; D53-H55 PolarHBondContact O-ND1 3.13Å; D53-R63 IonicContact OD1-CZ 3.68Å; D53-R63 IonicContact OD1-NH1 3.47Å; D53-R63 IonicContact OD1-NH2 3.63Å; D53-R63 PolarHBondContact OD1-NH2 3.5Å; D53-R63 IonicContact OD2-CZ 3.05Å; D53-R63 IonicContact OD2-NH1 3.77Å; D53-R63 PolarHBondContact OD2-NH1 2.53Å; D53-R63 IonicContact OD2-NH2 2.83Å; D53-R63 PolarHBondContact OD2-NH2 3.11Å |
| 54 | G | 89.3 | Confident | 92.6 | Very high | 69 Ų | 69 | 73.4 Ų | 73.4 | 71% | 0.711 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 1.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q52 | Q52-G54 PolarHBondContact O-N 2.82Š|
| 55 | H | 93.9 | Very high | 92.6 | Very high | 136 Ų | 136 | 64.7 Ų | 64.7 | 63% | 0.63 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.1 | 178.7 | -57.9 | 84.3 | 0 | 0 | 0 | 111 | V51 Q52 D53 | V51-H55 CarbonylContact C-O 3.46Å; V51-H55 VanDerWaalsContact CA-O 3.3Å; V51-H55 WeakPolarHBondContact CA-O 3.4Å; Q52-H55 PolarHBondContact N-O 3.23Å; Q52-H55 PolarHBondContact O-N 2.97Å; Q52-H55 VanDerWaalsContact O-N 3.08Å; Q52-H55 VanDerWaalsContact O-O 3.13Å; D53-H55 PolarHBondContact O-N 2.96Å; D53-H55 PolarHBondContact O-ND1 3.13Å |
| 56 | C | 94.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.2 | 172.6 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | C45 Q49 L50 | C45-C56 WeakPolarHBondContact CA-SG 3.25Å; C45-C56 HydrophobicContact CB-CB 3.81Å; C45-C56 WeakPolarHBondContact CB-SG 3.5Å; C45-C56 WeakPolarHBondContact SG-CA 3.46Å; C45-C56 WeakPolarHBondContact SG-CB 3.31Å; C45-C56 CovalentContact SG-SG 2.03Å; C45-C56 PolarHBondContact SG-SG 2.96Å; Q49-C56 HydrophobicContact CB-CB 4.31Å; Q49-C56 VanDerWaalsContact OE1-CB 3.25Å; L50-C56 WeakPolarHBondContact O-CA 3.33Å |
| 57 | V | 94.9 | Very high | 90.9 | Very high | 28 Ų | 28 | 68.2 Ų | 68.2 | 17% | 0.17 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.5 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | Q49 L50 Q52 | Q49-V57 CarbonylContact C-O 3.54Å; Q49-V57 WeakPolarHBondContact CA-O 3.4Å; Q49-V57 WeakPolarHBondContact CB-O 3.41Å; L50-V57 PolarHBondContact N-O 2.96Å; L50-V57 WeakPolarHBondContact O-CG2 3.4Å; L50-V57 PolarHBondContact O-N 3.36Å; Q52-V57 HydrophobicContact CB-CG1 4.34Å; Q52-V57 HydrophobicContact CB-CG2 3.54Å; Q52-V57 HydrophobicContact CG-CG2 4.48Å |
| 58 | P | 95.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 148.2 | 169 | -20 | 32.1 | 0 | 0 | 0 | 111 | S60 S61 C62 | P58-S60 PolarHBondContact O-N 3.15Å; P58-S60 VanDerWaalsContact O-N 3.16Å; P58-S61 PolarHBondContact O-N 3.05Å; P58-C62 PolarHBondContact O-N 2.94Å |
| 59 | I | 92.3 | Very high | 88.4 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 35% | 0.349 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -53.4 | -38.1 | 177.6 | -68 | 163.8 | 0 | 0 | 0 | 111.6 | G48 L50 S61 C62 N92 | G48-I59 PolarHBondContact O-N 2.86Å; L50-I59 HydrophobicContact CD1-CG1 4.1Å; L50-I59 HydrophobicContact CG-CG1 4.16Å; I59-S61 PolarHBondContact O-N 2.96Å; I59-C62 VanDerWaalsContact O-CB 3.31Å; I59-C62 WeakPolarHBondContact O-CB 3.28Å; I59-C62 PolarHBondContact O-N 3.09Å; I59-C62 VanDerWaalsContact O-N 3.11Å; I59-N92 HydrophobicContact CG2-CB 3.55Å; I59-N92 CarbonylContact O-C 3.55Å; I59-N92 VanDerWaalsContact O-CA 3.26Å; I59-N92 WeakPolarHBondContact O-CA 2.97Å |
| 60 | S | 92.3 | Very high | 87.1 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -65.2 | -17.5 | 178 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | P58 N92 | P58-S60 PolarHBondContact O-N 3.15Å; P58-S60 VanDerWaalsContact O-N 3.16Å; S60-N92 VanDerWaalsContact CA-OD1 3.26Å; S60-N92 WeakPolarHBondContact CA-OD1 3.38Å |
| 61 | S | 94.1 | Very high | 85.7 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -103.6 | 7 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | P58 I59 P77 | P58-S61 PolarHBondContact O-N 3.05Å; I59-S61 PolarHBondContact O-N 2.96Å; S61-P77 WeakPolarHBondContact O-CG 3.49Å |
| 62 | C | 93.7 | Very high | 84.7 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.054 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 133.5 | 174.8 | -71.3 | 0 | 0 | 0 | 0 | 111 | P58 I59 G93 | P58-C62 PolarHBondContact O-N 2.94Å; I59-C62 VanDerWaalsContact O-CB 3.31Å; I59-C62 WeakPolarHBondContact O-CB 3.28Å; I59-C62 PolarHBondContact O-N 3.09Å; I59-C62 VanDerWaalsContact O-N 3.11Å; C62-G93 PolarHBondContact O-N 3.47Å |
| 63 | R | 93.7 | Very high | 84.1 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 23% | 0.226 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 151 | 169.8 | 48.2 | 162.9 | -177.3 | -85 | 3.9 | 110.4 | Q52 D53 E74 L75 | Q52-R63 VanDerWaalsContact CD-CG 3.44Å; Q52-R63 VanDerWaalsContact CD-NH1 3.29Å; Q52-R63 HydrophobicContact CG-CG 4.32Å; D53-R63 IonicContact OD1-CZ 3.68Å; D53-R63 IonicContact OD1-NH1 3.47Å; D53-R63 IonicContact OD1-NH2 3.63Å; D53-R63 PolarHBondContact OD1-NH2 3.5Å; D53-R63 IonicContact OD2-CZ 3.05Å; D53-R63 IonicContact OD2-NH1 3.77Å; D53-R63 PolarHBondContact OD2-NH1 2.53Å; D53-R63 IonicContact OD2-NH2 2.83Å; D53-R63 PolarHBondContact OD2-NH2 3.11Å; R63-E74 WeakPolarHBondContact CD-OE1 3.38Å; R63-E74 WeakPolarHBondContact CD-OE2 3.09Å; R63-E74 IonicContact CZ-OE1 2.87Å; R63-E74 IonicContact CZ-OE2 3.11Å; R63-E74 IonicContact NE-OE1 2.83Å; R63-E74 PolarHBondContact NE-OE1 2.89Å; R63-E74 IonicContact NE-OE2 3.5Å; R63-E74 PolarHBondContact NE-OE2 3Å; R63-E74 IonicContact NH2-OE1 3.22Å; R63-L75 VanDerWaalsContact CA-O 3.26Å; R63-L75 WeakPolarHBondContact CA-O 3.41Å; R63-L75 VanDerWaalsContact CB-O 3.25Å; R63-L75 WeakPolarHBondContact CB-O 3.25Å |
| 64 | C | 92.1 | Very high | 84 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.7 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | E74 L75 C90 T94 L95 | C64-E74 CarbonylContact O-C 3.56Å; C64-E74 WeakPolarHBondContact O-CA 3.26Å; C64-L75 HydrophobicContact CB-CB 4.29Å; C64-L75 PolarHBondContact N-O 2.8Å; C64-L75 PolarHBondContact O-N 3.3Å; C64-C90 HydrophobicContact CB-CB 3.78Å; C64-C90 WeakPolarHBondContact CB-SG 3.42Å; C64-C90 PolarHBondContact N-SG 2.65Å; C64-C90 WeakPolarHBondContact SG-CA 3.41Å; C64-C90 WeakPolarHBondContact SG-CB 3.06Å; C64-C90 CovalentContact SG-SG 2.03Å; C64-C90 PolarHBondContact SG-SG 2.79Å; C64-T94 VanDerWaalsContact SG-C 3.53Å; C64-T94 PolarHBondContact SG-N 3.05Å; C64-T94 VanDerWaalsContact SG-N 3.36Å; C64-T94 PolarHBondContact SG-O 3.34Å; C64-T94 VanDerWaalsContact SG-O 3.4Å; C64-L95 HydrophobicContact CB-CD2 3.77Å; C64-L95 HydrophobicContact CB-CG 4Å |
| 65 | G | 88.3 | Confident | 84.1 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 66 | L | 83.2 | Confident | 84 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.152 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123 | 169 | -74.4 | 165.6 | 0 | 0 | 0 | 109.6 | S68 W73 L75 L83 L95 | L66-S68 PolarHBondContact O-N 2.89Å; L66-W73 HydrophobicContact CB-CB 4.19Å; L66-W73 HydrophobicContact CD1-CB 4.08Å; L66-W73 PolarHBondContact N-O 2.83Å; L66-L75 HydrophobicContact CD1-CD1 3.7Å; L66-L75 HydrophobicContact CD1-CD2 4.31Å; L66-L75 HydrophobicContact CD1-CG 3.97Å; L66-L75 HydrophobicContact CD2-CD1 4.14Å; L66-L75 HydrophobicContact CG-CD1 3.75Å; L66-L75 HydrophobicContact CG-CG 4.34Å; L66-L83 HydrophobicContact CD2-CD1 3.74Å; L66-L83 HydrophobicContact CD2-CD2 3.86Å; L66-L83 HydrophobicContact CD2-CG 4.32Å; L66-L95 HydrophobicContact CD2-CD1 3.41Å; L66-L95 VanDerWaalsContact CD2-CD1 3.41Å; L66-L95 HydrophobicContact CG-CD1 4.2Å |
| 67 | P | 67.6 | Low | 84 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 84% | 0.838 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 101.1 | 173.5 | 29.2 | -30.9 | 0 | 0 | 0 | 108.4 | ||
| 68 | S | 65.6 | Low | 83.9 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.8 | 167.9 | 96.6 | 0 | 0 | 0 | 0 | 109.6 | L66 N70 A71 | L66-S68 PolarHBondContact O-N 2.89Å; S68-N70 PolarHBondContact O-N 2.99Å; S68-N70 VanDerWaalsContact O-N 3.09Å; S68-A71 WeakPolarHBondContact CB-O 2.95Å; S68-A71 PolarHBondContact O-N 3.1Å; S68-A71 VanDerWaalsContact O-O 3.13Å; S68-A71 PolarHBondContact OG-N 3.42Å; S68-A71 VanDerWaalsContact OG-N 3.11Å; S68-A71 PolarHBondContact OG-O 3.17Å |
| 69 | A | 63.7 | Low | 83.8 | Confident | 104 Ų | 104 | 72.9 Ų | 72.9 | 86% | 0.86 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 70 | N | 67.4 | Low | 83.8 | Confident | 161 Ų | 161 | 73.6 Ų | 73.6 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -6.5 | -171.1 | -63.5 | -14.1 | 0 | 0 | 0 | 113.9 | S68 | S68-N70 PolarHBondContact O-N 2.99Å; S68-N70 VanDerWaalsContact O-N 3.09Å |
| 71 | A | 62.6 | Low | 83.8 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 34% | 0.339 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 149.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S68 W73 | S68-A71 WeakPolarHBondContact CB-O 2.95Å; S68-A71 PolarHBondContact O-N 3.1Å; S68-A71 VanDerWaalsContact O-O 3.13Å; S68-A71 PolarHBondContact OG-N 3.42Å; S68-A71 VanDerWaalsContact OG-N 3.11Å; S68-A71 PolarHBondContact OG-O 3.17Å; A71-W73 PolarHBondContact O-N 3.03Å |
| 72 | S | 72.4 | Confident | 83.5 | Confident | 106 Ų | 106 | 74.8 Ų | 74.8 | 74% | 0.741 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 90.5 | 166.9 | 57.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 73 | W | 78.2 | Confident | 83.1 | Confident | 171 Ų | 171 | 77.1 Ų | 77.1 | 65% | 0.648 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134 | 173.9 | -64.1 | 96 | 0 | 0 | 0 | 109.6 | L66 A71 | L66-W73 HydrophobicContact CB-CB 4.19Å; L66-W73 HydrophobicContact CD1-CB 4.08Å; L66-W73 PolarHBondContact N-O 2.83Å; A71-W73 PolarHBondContact O-N 3.03Å |
| 74 | E | 89.3 | Confident | 82.6 | Confident | 113 Ų | 113 | 81.4 Ų | 81.4 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.1 | 178.3 | -63.1 | -172.9 | 151.8 | 0 | 0 | 109.8 | R63 C64 | R63-E74 WeakPolarHBondContact CD-OE1 3.38Å; R63-E74 WeakPolarHBondContact CD-OE2 3.09Å; R63-E74 IonicContact CZ-OE1 2.87Å; R63-E74 IonicContact CZ-OE2 3.11Å; R63-E74 IonicContact NE-OE1 2.83Å; R63-E74 PolarHBondContact NE-OE1 2.89Å; R63-E74 IonicContact NE-OE2 3.5Å; R63-E74 PolarHBondContact NE-OE2 3Å; R63-E74 IonicContact NH2-OE1 3.22Å; C64-E74 CarbonylContact O-C 3.56Å; C64-E74 WeakPolarHBondContact O-CA 3.26Å |
| 75 | L | 90.8 | Very high | 82.3 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 5% | 0.047 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.3 | 177.4 | -67 | 161.4 | 0 | 0 | 0 | 109.6 | R63 C64 L66 Q79 V81 C90 L95 | R63-L75 VanDerWaalsContact CA-O 3.26Å; R63-L75 WeakPolarHBondContact CA-O 3.41Å; R63-L75 VanDerWaalsContact CB-O 3.25Å; R63-L75 WeakPolarHBondContact CB-O 3.25Å; C64-L75 HydrophobicContact CB-CB 4.29Å; C64-L75 PolarHBondContact N-O 2.8Å; C64-L75 PolarHBondContact O-N 3.3Å; L66-L75 HydrophobicContact CD1-CD1 3.7Å; L66-L75 HydrophobicContact CD1-CD2 4.31Å; L66-L75 HydrophobicContact CD1-CG 3.97Å; L66-L75 HydrophobicContact CD2-CD1 4.14Å; L66-L75 HydrophobicContact CG-CD1 3.75Å; L66-L75 HydrophobicContact CG-CG 4.34Å; L75-Q79 HydrophobicContact CB-CB 4.44Å; L75-Q79 HydrophobicContact CD2-CG 4.02Å; L75-V81 HydrophobicContact CD1-CB 4.21Å; L75-V81 HydrophobicContact CD1-CG1 3.52Å; L75-V81 HydrophobicContact CD2-CB 3.94Å; L75-V81 HydrophobicContact CD2-CG1 4.2Å; L75-V81 HydrophobicContact CD2-CG2 4.43Å; L75-C90 HydrophobicContact CB-CB 4.16Å; L75-L95 HydrophobicContact CD1-CD2 3.43Å; L75-L95 VanDerWaalsContact CD1-CD2 3.43Å |
| 76 | A | 92.5 | Very high | 82.3 | Confident | 50 Ų | 50 | 81.6 Ų | 81.6 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | trans | -64.2 | 155.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T78 Q79 C90 | A76-T78 PolarHBondContact O-N 2.86Å; A76-Q79 HydrophobicContact CB-CB 4.23Å; A76-Q79 WeakPolarHBondContact O-CB 3.39Å; A76-Q79 PolarHBondContact O-N 2.83Å; A76-C90 WeakPolarHBondContact O-CB 3.1Å | ||
| 77 | P | 93.6 | Very high | 82.6 | Confident | 45 Ų | 45 | 83.6 Ų | 83.6 | 29% | 0.292 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 137.4 | 173.1 | -23.1 | 33.2 | 0 | 0 | 0 | 110.8 | S61 Q79 | S61-P77 WeakPolarHBondContact O-CG 3.49Å; P77-Q79 PolarHBondContact O-N 3.24Å; P77-Q79 VanDerWaalsContact O-N 3.13Å |
| 78 | T | 92.8 | Very high | 83.7 | Confident | 115 Ų | 115 | 77.5 Ų | 77.5 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 4 | -177 | 70.9 | 0 | 0 | 0 | 0 | 115.7 | A76 C90 | A76-T78 PolarHBondContact O-N 2.86Å; T78-C90 WeakPolarHBondContact CA-O 3.01Å; T78-C90 PolarHBondContact N-O 3.4Å |
| 79 | Q | 94.2 | Very high | 85 | Confident | 85 Ų | 85 | 77 Ų | 77 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | trans | -69 | 136 | 174.5 | -172.2 | 174.4 | -15 | 0 | 0 | 110.6 | L75 A76 P77 C90 | L75-Q79 HydrophobicContact CB-CB 4.44Å; L75-Q79 HydrophobicContact CD2-CG 4.02Å; A76-Q79 HydrophobicContact CB-CB 4.23Å; A76-Q79 WeakPolarHBondContact O-CB 3.39Å; A76-Q79 PolarHBondContact O-N 2.83Å; P77-Q79 PolarHBondContact O-N 3.24Å; P77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-C90 PolarHBondContact O-N 2.87Å | ||
| 80 | V | 92.8 | Very high | 86.5 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.2 | 175 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | N87 C88 T89 | V80-N87 HydrophobicContact CG1-CB 4.01Å; V80-C88 WeakPolarHBondContact CA-O 3.43Å; V80-T89 HydrophobicContact CG2-CG2 4.29Å |
| 81 | V | 90.9 | Very high | 87.7 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.9 | 174.1 | 61.6 | 0 | 0 | 0 | 0 | 109.3 | L75 L83 C88 | L75-V81 HydrophobicContact CD1-CB 4.21Å; L75-V81 HydrophobicContact CD1-CG1 3.52Å; L75-V81 HydrophobicContact CD2-CB 3.94Å; L75-V81 HydrophobicContact CD2-CG1 4.2Å; L75-V81 HydrophobicContact CD2-CG2 4.43Å; V81-L83 HydrophobicContact CB-CD1 4.12Å; V81-L83 HydrophobicContact CG1-CD1 3.26Å; V81-L83 HydrophobicContact CG2-CD1 3.86Å; V81-C88 HydrophobicContact CG1-CB 4.22Å; V81-C88 PolarHBondContact N-O 3.08Å; V81-C88 PolarHBondContact O-N 3.31Å |
| 82 | Q | 87.9 | Confident | 89.2 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 109.5 | 174.1 | -165.2 | -179.8 | -38 | 0 | 0 | 108.7 | D84 H86 | Q82-D84 PolarHBondContact NE2-O 2.67Å; Q82-H86 WeakPolarHBondContact CA-O 3.02Å |
| 83 | L | 85.5 | Confident | 90 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115 | 169.6 | -88.2 | 79.5 | 0 | 0 | 0 | 107.5 | L66 V81 C85 H86 C88 | L66-L83 HydrophobicContact CD2-CD1 3.74Å; L66-L83 HydrophobicContact CD2-CD2 3.86Å; L66-L83 HydrophobicContact CD2-CG 4.32Å; V81-L83 HydrophobicContact CB-CD1 4.12Å; V81-L83 HydrophobicContact CG1-CD1 3.26Å; V81-L83 HydrophobicContact CG2-CD1 3.86Å; L83-C85 PolarHBondContact O-N 2.83Å; L83-H86 PolarHBondContact N-O 3.44Å; L83-H86 PolarHBondContact O-N 2.7Å; L83-C88 HydrophobicContact CD1-CB 4.37Å |
| 84 | D | 84.4 | Confident | 90.5 | Very high | 149 Ų | 149 | 62.1 Ų | 62.1 | 80% | 0.797 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | -106 | -172 | -54.8 | -51.1 | 0 | 0 | 0 | 111.1 | Q82 | Q82-D84 PolarHBondContact NE2-O 2.67Š|
| 85 | C | 85.4 | Confident | 90.6 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -1.1 | 177.1 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | L83 C102 | L83-C85 PolarHBondContact O-N 2.83Å; C85-C102 HydrophobicContact CB-CB 3.81Å; C85-C102 WeakPolarHBondContact CB-SG 3.4Å; C85-C102 WeakPolarHBondContact SG-CA 3.04Å; C85-C102 WeakPolarHBondContact SG-CB 3.07Å; C85-C102 CovalentContact SG-SG 2.03Å; C85-C102 PolarHBondContact SG-SG 3.4Å |
| 86 | H | 86.8 | Confident | 90.6 | Very high | 33 Ų | 33 | 63 Ų | 63 | 15% | 0.153 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.7 | -172.6 | -66.7 | -52.9 | 0 | 0 | 0 | 112.3 | Q82 L83 C88 C97 L100 | Q82-H86 WeakPolarHBondContact CA-O 3.02Å; L83-H86 PolarHBondContact N-O 3.44Å; L83-H86 PolarHBondContact O-N 2.7Å; H86-C88 PolarHBondContact O-N 2.94Å; H86-C97 HydrophobicContact CB-CB 4.46Å; H86-L100 PolarHBondContact CE1-O 2.9Å; H86-L100 PolarHBondContact NE2-O 3.2Å |
| 87 | N | 89.4 | Confident | 90.5 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 88.5 | 169.1 | -72.7 | -31 | 0 | 0 | 0 | 109.7 | V80 | V80-N87 HydrophobicContact CG1-CB 4.01Å |
| 88 | C | 90.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.8 | 179.1 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | V80 V81 L83 H86 M96 C97 | V80-C88 WeakPolarHBondContact CA-O 3.43Å; V81-C88 HydrophobicContact CG1-CB 4.22Å; V81-C88 PolarHBondContact N-O 3.08Å; V81-C88 PolarHBondContact O-N 3.31Å; L83-C88 HydrophobicContact CD1-CB 4.37Å; H86-C88 PolarHBondContact O-N 2.94Å; C88-M96 WeakPolarHBondContact CA-O 3.31Å; C88-C97 HydrophobicContact CB-CB 4.12Å; C88-C97 WeakPolarHBondContact CB-SG 3.32Å; C88-C97 WeakPolarHBondContact SG-CB 3.3Å; C88-C97 CovalentContact SG-SG 2.03Å; C88-C97 PolarHBondContact SG-SG 2.84Å |
| 89 | T | 93.8 | Very high | 89.8 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.1 | 178.2 | -52.2 | 0 | 0 | 0 | 0 | 110.2 | V80 I91 M96 | V80-T89 HydrophobicContact CG2-CG2 4.29Å; T89-I91 HydrophobicContact CG2-CD1 4.26Å; T89-I91 HydrophobicContact CG2-CG1 3.88Å; T89-I91 PolarHBondContact O-N 3.05Å; T89-M96 PolarHBondContact N-O 2.97Å; T89-M96 PolarHBondContact O-N 2.03Å |
| 90 | C | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 109.9 | 171.6 | 179 | 0 | 0 | 0 | 0 | 110.5 | C64 L75 A76 T78 Q79 L95 | C64-C90 HydrophobicContact CB-CB 3.78Å; C64-C90 WeakPolarHBondContact CB-SG 3.42Å; C64-C90 PolarHBondContact N-SG 2.65Å; C64-C90 WeakPolarHBondContact SG-CA 3.41Å; C64-C90 WeakPolarHBondContact SG-CB 3.06Å; C64-C90 CovalentContact SG-SG 2.03Å; C64-C90 PolarHBondContact SG-SG 2.79Å; L75-C90 HydrophobicContact CB-CB 4.16Å; A76-C90 WeakPolarHBondContact O-CB 3.1Å; T78-C90 WeakPolarHBondContact CA-O 3.01Å; T78-C90 PolarHBondContact N-O 3.4Å; Q79-C90 PolarHBondContact O-N 2.87Å; C90-L95 HydrophobicContact CB-CD2 4.38Å |
| 91 | I | 94.4 | Very high | 89 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 123.1 | -179.5 | -56.1 | -179.9 | 0 | 0 | 0 | 108.1 | T89 G93 T94 M96 | T89-I91 HydrophobicContact CG2-CD1 4.26Å; T89-I91 HydrophobicContact CG2-CG1 3.88Å; T89-I91 PolarHBondContact O-N 3.05Å; I91-G93 PolarHBondContact O-N 2.95Å; I91-T94 PolarHBondContact N-O 3.32Å; I91-T94 PolarHBondContact O-N 3.13Å; I91-M96 HydrophobicContact CB-CG 3.96Å; I91-M96 HydrophobicContact CD1-CB 4.01Å; I91-M96 HydrophobicContact CD1-CG 4.04Å; I91-M96 HydrophobicContact CG1-CB 4.4Å; I91-M96 HydrophobicContact CG1-CG 4.26Å |
| 92 | N | 92.9 | Very high | 88.8 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 47% | 0.465 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 35.4 | 175.3 | -67.5 | -22.7 | 0 | 0 | 0 | 114.1 | I59 S60 T94 | I59-N92 HydrophobicContact CG2-CB 3.55Å; I59-N92 CarbonylContact O-C 3.55Å; I59-N92 VanDerWaalsContact O-CA 3.26Å; I59-N92 WeakPolarHBondContact O-CA 2.97Å; S60-N92 VanDerWaalsContact CA-OD1 3.26Å; S60-N92 WeakPolarHBondContact CA-OD1 3.38Å; N92-T94 PolarHBondContact O-N 2.9Å |
| 93 | G | 88.9 | Confident | 88.8 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 5.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | C62 I91 | C62-G93 PolarHBondContact O-N 3.47Å; I91-G93 PolarHBondContact O-N 2.95Å |
| 94 | T | 89.6 | Confident | 89 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.7 | 176.9 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | C64 I91 N92 M96 | C64-T94 VanDerWaalsContact SG-C 3.53Å; C64-T94 PolarHBondContact SG-N 3.05Å; C64-T94 VanDerWaalsContact SG-N 3.36Å; C64-T94 PolarHBondContact SG-O 3.34Å; C64-T94 VanDerWaalsContact SG-O 3.4Å; I91-T94 PolarHBondContact N-O 3.32Å; I91-T94 PolarHBondContact O-N 3.13Å; N92-T94 PolarHBondContact O-N 2.9Å; T94-M96 HydrophobicContact CG2-CE 3.61Å; T94-M96 PolarHBondContact O-N 3.14Å |
| 95 | L | 91.2 | Very high | 89.3 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 115.6 | 173.3 | -65.6 | 168.8 | 0 | 0 | 0 | 109.9 | C64 L66 L75 C90 | C64-L95 HydrophobicContact CB-CD2 3.77Å; C64-L95 HydrophobicContact CB-CG 4Å; L66-L95 HydrophobicContact CD2-CD1 3.41Å; L66-L95 VanDerWaalsContact CD2-CD1 3.41Å; L66-L95 HydrophobicContact CG-CD1 4.2Å; L75-L95 HydrophobicContact CD1-CD2 3.43Å; L75-L95 VanDerWaalsContact CD1-CD2 3.43Å; C90-L95 HydrophobicContact CB-CD2 4.38Å |
| 96 | M | 91.3 | Very high | 89.5 | Confident | 100 Ų | 100 | 59 Ų | 59 | 49% | 0.493 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 109.7 | 174.2 | -67.4 | -73.4 | 101 | 0 | 0 | 108.4 | C88 T89 I91 T94 | C88-M96 WeakPolarHBondContact CA-O 3.31Å; T89-M96 PolarHBondContact N-O 2.97Å; T89-M96 PolarHBondContact O-N 2.03Å; I91-M96 HydrophobicContact CB-CG 3.96Å; I91-M96 HydrophobicContact CD1-CB 4.01Å; I91-M96 HydrophobicContact CD1-CG 4.04Å; I91-M96 HydrophobicContact CG1-CB 4.4Å; I91-M96 HydrophobicContact CG1-CG 4.26Å; T94-M96 HydrophobicContact CG2-CE 3.61Å; T94-M96 PolarHBondContact O-N 3.14Å |
| 97 | C | 90.6 | Very high | 89.9 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 42% | 0.419 | 36% | 0.357 | S | S | . | . | trans | -109.6 | 149.5 | 176.9 | -52.8 | 0 | 0 | 0 | 0 | 109.9 | H86 C88 | H86-C97 HydrophobicContact CB-CB 4.46Å; C88-C97 HydrophobicContact CB-CB 4.12Å; C88-C97 WeakPolarHBondContact CB-SG 3.32Å; C88-C97 WeakPolarHBondContact SG-CB 3.3Å; C88-C97 CovalentContact SG-SG 2.03Å; C88-C97 PolarHBondContact SG-SG 2.84Å | ||
| 98 | P | 88.1 | Confident | 90.2 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 29% | 0.292 | 35% | 0.353 | S | S | . | . | trans | -57.4 | 141.1 | 168.8 | -19.2 | 30.6 | 0 | 0 | 0 | 111.1 | L100 | P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 HydrophobicContact CB-CD1 4.16Å; P98-L100 PolarHBondContact O-N 3.36Å | ||
| 99 | H | 83.8 | Confident | 90.5 | Very high | 196 Ų | 196 | 65.7 Ų | 65.7 | 91% | 0.907 | 37% | 0.371 | S | S | * | . | trans | -95.9 | 52.8 | 174.1 | -167.4 | -90 | 0 | 0 | 0 | 110.2 | ||||
| 100 | L | 83.2 | Confident | 90.6 | Very high | 62 Ų | 62 | 68 Ų | 68 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | trans | -109.2 | 155 | 176.2 | -76.8 | 153.1 | 0 | 0 | 0 | 108 | H86 P98 D134 E136 | H86-L100 PolarHBondContact CE1-O 2.9Å; H86-L100 PolarHBondContact NE2-O 3.2Å; P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 HydrophobicContact CB-CD1 4.16Å; P98-L100 PolarHBondContact O-N 3.36Å; L100-D134 WeakPolarHBondContact CD2-O 3.03Å; L100-E136 HydrophobicContact CB-CG 3.95Å; L100-E136 HydrophobicContact CD1-CG 4.37Å; L100-E136 WeakPolarHBondContact CD1-OE1 3.42Å | ||
| 101 | E | 85.8 | Confident | 90.7 | Very high | 110 Ų | 110 | 71.4 Ų | 71.4 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 151.5 | 170.5 | -72.9 | -171.7 | -179.6 | 0 | 0 | 110.7 | D134 R135 E136 | E101-D134 PolarHBondContact N-O 2.87Å; E101-R135 HydrophobicContact CB-CG 3.93Å; E101-R135 CarbonylContact O-C 3.6Å; E101-R135 VanDerWaalsContact O-CA 3.26Å; E101-R135 WeakPolarHBondContact O-CA 3.03Å; E101-R135 IonicContact OE2-CZ 3.5Å; E101-R135 IonicContact OE2-NH1 2.7Å; E101-R135 PolarHBondContact OE2-NH1 2.89Å; E101-R135 IonicContact OE2-NH2 3.44Å; E101-R135 PolarHBondContact OE2-NH2 3.34Å; E101-E136 PolarHBondContact O-N 2.88Å |
| 102 | C | 87.1 | Confident | 90.9 | Very high | 50 Ų | 50 | 70.1 Ų | 70.1 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 150.2 | 172.2 | -68 | 0 | 0 | 0 | 0 | 111.9 | C85 R135 | C85-C102 HydrophobicContact CB-CB 3.81Å; C85-C102 WeakPolarHBondContact CB-SG 3.4Å; C85-C102 WeakPolarHBondContact SG-CA 3.04Å; C85-C102 WeakPolarHBondContact SG-CB 3.07Å; C85-C102 CovalentContact SG-SG 2.03Å; C85-C102 PolarHBondContact SG-SG 3.4Å; C102-R135 PolarHBondContact O-NH1 2.03Å; C102-R135 VanDerWaalsContact O-NH1 3.14Å |
| 103 | P | 88.3 | Confident | 90.9 | Very high | 21 Ų | 21 | 74.6 Ų | 74.6 | 14% | 0.136 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 139.7 | 176 | 25 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 104 | V | 88.4 | Confident | 91.2 | Very high | 63 Ų | 63 | 74.9 Ų | 74.9 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.9 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | C129 E130 R135 | V104-C129 WeakPolarHBondContact O-CA 2.99Å; V104-E130 HydrophobicContact CB-CB 4.3Å; V104-E130 PolarHBondContact O-N 3.3Å; V104-R135 VanDerWaalsContact CG2-NH1 3.34Å |
| 105 | L | 90.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 75.1 Ų | 75.1 | 29% | 0.293 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.2 | -177.9 | -65.4 | 159.3 | 0 | 0 | 0 | 109.4 | R127 C129 D142 L143 | L105-R127 VanDerWaalsContact CD1-CZ 3.47Å; L105-R127 VanDerWaalsContact CD1-NH2 3.33Å; L105-C129 HydrophobicContact CD2-CB 3.94Å; L105-D142 HydrophobicContact CD1-CB 4.46Å; L105-D142 HydrophobicContact CD2-CB 4.12Å; L105-L143 HydrophobicContact CD2-CD2 4.24Å |
| 106 | G | 91.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 74.6 Ų | 74.6 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S128 | G106-S128 PolarHBondContact N-O 3.16Å |
| 107 | P | 94.1 | Very high | 91.2 | Very high | 114 Ų | 114 | 74 Ų | 74 | 74% | 0.74 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 149.6 | 176 | 29 | -34.6 | 0 | 0 | 0 | 111 | R127 | P107-R127 WeakPolarHBondContact O-CB 3.46Å |
| 108 | W | 95.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 139.6 | 171.2 | -74.2 | 109 | 0 | 0 | 0 | 111.5 | R125 H126 R127 D142 Q145 | W108-R125 HydrophobicContact CD2-CG 4.23Å; W108-R125 HydrophobicContact CE3-CB 4.42Å; W108-R125 HydrophobicContact CE3-CG 3.64Å; W108-R125 HydrophobicContact CZ3-CG 4.09Å; W108-H126 VanDerWaalsContact CE3-C 3.49Å; W108-R127 HydrophobicContact CD2-CB 4.01Å; W108-R127 HydrophobicContact CD2-CG 4.09Å; W108-R127 HydrophobicContact CE3-CB 3.68Å; W108-R127 HydrophobicContact CE3-CG 3.8Å; W108-R127 HydrophobicContact CH2-CG 3.85Å; W108-R127 HydrophobicContact CZ2-CG 4.14Å; W108-R127 VanDerWaalsContact CZ2-CZ 3.44Å; W108-R127 VanDerWaalsContact CZ2-NE 3.3Å; W108-R127 HydrophobicContact CZ3-CB 4.02Å; W108-R127 HydrophobicContact CZ3-CG 3.68Å; W108-D142 WeakPolarHBondContact CH2-O 3.44Å; W108-Q145 HydrophobicContact CH2-CB 3.76Å; W108-Q145 HydrophobicContact CZ2-CB 4.23Å; W108-Q145 HydrophobicContact CZ3-CB 4.01Å |
| 109 | S | 96.3 | Very high | 91 | Very high | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 167 | 165.7 | 75.8 | 0 | 0 | 0 | 0 | 110.9 | H126 | S109-H126 VanDerWaalsContact CB-O 3.25Å; S109-H126 WeakPolarHBondContact CB-O 3.44Å; S109-H126 PolarHBondContact N-O 2.89Å; S109-H126 PolarHBondContact OG-N 3.01Å; S109-H126 PolarHBondContact OG-O 2.03Å |
| 110 | A | 97.1 | Very high | 91.5 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 73% | 0.727 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 151.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 111 | W | 97 | Very high | 92 | Very high | 73 Ų | 73 | 66.5 Ų | 66.5 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 143.1 | 170.4 | -71.1 | 107.7 | 0 | 0 | 0 | 110.5 | M123 R125 Q145 Q147 | W111-M123 HydrophobicContact CB-CE 4.41Å; W111-M123 HydrophobicContact CB-CG 4.41Å; W111-M123 HydrophobicContact CB-SD 3.66Å; W111-M123 HydrophobicContact CD2-CE 3.6Å; W111-M123 HydrophobicContact CD2-CG 4.06Å; W111-M123 HydrophobicContact CD2-SD 3.83Å; W111-M123 HydrophobicContact CE3-CB 4.19Å; W111-M123 HydrophobicContact CE3-CE 4.01Å; W111-M123 HydrophobicContact CE3-CG 3.6Å; W111-M123 HydrophobicContact CE3-SD 4.03Å; W111-M123 HydrophobicContact CG-CE 3.78Å; W111-M123 HydrophobicContact CG-CG 4.42Å; W111-M123 HydrophobicContact CG-SD 3.68Å; W111-M123 HydrophobicContact CZ2-CE 4.29Å; W111-M123 HydrophobicContact CZ3-CG 4.14Å; W111-R125 HydrophobicContact CD2-CB 3.95Å; W111-R125 HydrophobicContact CD2-CG 3.94Å; W111-R125 VanDerWaalsContact CE2-CD 3.44Å; W111-R125 HydrophobicContact CE3-CB 3.66Å; W111-R125 HydrophobicContact CE3-CG 3.67Å; W111-R125 HydrophobicContact CH2-CG 3.7Å; W111-R125 VanDerWaalsContact CZ2-CD 3.48Å; W111-R125 HydrophobicContact CZ2-CG 3.96Å; W111-R125 VanDerWaalsContact CZ2-NE 3.28Å; W111-R125 HydrophobicContact CZ3-CB 4.03Å; W111-R125 HydrophobicContact CZ3-CG 3.56Å; W111-Q145 HydrophobicContact CH2-CB 4.16Å; W111-Q145 HydrophobicContact CH2-CG 3.95Å; W111-Q145 VanDerWaalsContact CZ3-O 3.31Å; W111-Q145 WeakPolarHBondContact CZ3-O 3.46Å; W111-Q147 HydrophobicContact CH2-CB 3.52Å; W111-Q147 HydrophobicContact CZ2-CB 4.02Å; W111-Q147 HydrophobicContact CZ3-CB 3.79Å |
| 112 | S | 96.9 | Very high | 92.5 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 165.3 | 168 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | V124 | S112-V124 VanDerWaalsContact CB-O 3.31Å; S112-V124 WeakPolarHBondContact CB-O 3.3Å; S112-V124 PolarHBondContact N-O 3.33Å; S112-V124 PolarHBondContact OG-N 3.2Å; S112-V124 PolarHBondContact OG-O 2.84Å |
| 113 | E | 94.6 | Very high | 93 | Very high | 180 Ų | 180 | 63.2 Ų | 63.2 | 84% | 0.841 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 150 | 162.3 | -62.9 | -168.4 | 157.6 | 0 | 0 | 110.3 | ||
| 114 | C | 94.8 | Very high | 93.4 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 22% | 0.223 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 135.2 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | A116 C149 N150 | C114-A116 PolarHBondContact O-N 2.01Å; C114-A116 VanDerWaalsContact O-N 3.11Å; C114-A116 PolarHBondContact SG-O 2.82Å; C114-C149 VanDerWaalsContact CA-SG 3.51Å; C114-C149 HydrophobicContact CB-CB 3.92Å; C114-C149 WeakPolarHBondContact CB-SG 2.98Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 2.01Å; C114-C149 PolarHBondContact SG-SG 3.1Å; C114-N150 VanDerWaalsContact CB-ND2 3.33Å; C114-N150 WeakPolarHBondContact CB-ND2 3.25Å; C114-N150 PolarHBondContact SG-ND2 2.03Å |
| 115 | S | 93.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 58% | 0.58 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -62 | -20.2 | 179.9 | 63 | 0 | 0 | 0 | 0 | 114.2 | G121 T122 | S115-G121 WeakPolarHBondContact OG-CA 3.45Å; S115-T122 WeakPolarHBondContact CB-O 3.34Å; S115-T122 PolarHBondContact N-O 3.11Å; S115-T122 PolarHBondContact OG-N 3.5Å; S115-T122 PolarHBondContact OG-O 3.46Å; S115-T122 PolarHBondContact OG-OG1 2.91Å; S115-T122 VanDerWaalsContact OG-OG1 3.13Å |
| 116 | A | 89.5 | Confident | 94.1 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | trans | -137.2 | 142.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C114 C118 N150 | C114-A116 PolarHBondContact O-N 2.01Å; C114-A116 VanDerWaalsContact O-N 3.11Å; C114-A116 PolarHBondContact SG-O 2.82Å; A116-C118 VanDerWaalsContact C-N 3.3Å; A116-C118 VanDerWaalsContact CB-O 3.3Å; A116-C118 WeakPolarHBondContact CB-O 3.31Å; A116-N150 WeakPolarHBondContact O-CB 3.06Å; A116-N150 PolarHBondContact O-ND2 3.48Å | ||
| 117 | V | 87.5 | Confident | 94.2 | Very high | 88 Ų | 88 | 66.1 Ų | 66.1 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -76.6 | -19.2 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | T165 | V117-T165 HydrophobicContact CB-CG2 4.44Å; V117-T165 HydrophobicContact CG1-CG2 3.69Å; V117-T165 HydrophobicContact CG2-CG2 3.87Å |
| 118 | C | 88.6 | Confident | 94.1 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 12% | 0.122 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -157.1 | 169.3 | 175.8 | 57.1 | 0 | 0 | 0 | 0 | 108.5 | A116 N150 C154 | A116-C118 VanDerWaalsContact C-N 3.3Å; A116-C118 VanDerWaalsContact CB-O 3.3Å; A116-C118 WeakPolarHBondContact CB-O 3.31Å; C118-N150 CarbonylContact C-O 3.53Å; C118-C154 HydrophobicContact CB-CB 4Å; C118-C154 WeakPolarHBondContact CB-SG 3.41Å; C118-C154 PolarHBondContact O-SG 2.83Å; C118-C154 VanDerWaalsContact O-SG 3.38Å; C118-C154 WeakPolarHBondContact SG-CA 3.26Å; C118-C154 WeakPolarHBondContact SG-CB 3.44Å; C118-C154 CovalentContact SG-SG 2.03Å; C118-C154 PolarHBondContact SG-SG 3.19Å |
| 119 | G | 87.1 | Confident | 93.9 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 77 | 35.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N150 Q152 C154 | G119-N150 PolarHBondContact N-O 3.36Å; G119-Q152 PolarHBondContact N-O 2.88Å; G119-C154 PolarHBondContact N-SG 3.31Å |
| 120 | K | 93.4 | Very high | 93.4 | Very high | 145 Ų | 145 | 65.3 Ų | 65.3 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 63.9 | 84.9 | -179.1 | -55.4 | -173.9 | 176.7 | -173.6 | 0 | 113.2 | N150 L151 | K120-N150 PolarHBondContact N-O 2.91Å; K120-L151 HydrophobicContact CB-CD2 4.32Å; K120-L151 HydrophobicContact CD-CD2 4.48Å; K120-L151 HydrophobicContact CG-CD2 3.85Å |
| 121 | G | 94.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 178.9 | 166 | 0 | 0 | 0 | 0 | 0 | 112.5 | S115 E148 C149 | S115-G121 WeakPolarHBondContact OG-CA 3.45Å; G121-E148 WeakPolarHBondContact O-CA 3.45Å; G121-C149 CarbonylContact C-O 3.6Å; G121-C149 VanDerWaalsContact C-SG 3.54Å; G121-C149 PolarHBondContact N-O 3.28Å; G121-C149 PolarHBondContact O-N 3.22Å |
| 122 | T | 96.6 | Very high | 91.9 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | S115 Q147 | S115-T122 WeakPolarHBondContact CB-O 3.34Å; S115-T122 PolarHBondContact N-O 3.11Å; S115-T122 PolarHBondContact OG-N 3.5Å; S115-T122 PolarHBondContact OG-O 3.46Å; S115-T122 PolarHBondContact OG-OG1 2.91Å; S115-T122 VanDerWaalsContact OG-OG1 3.13Å; T122-Q147 WeakPolarHBondContact CA-O 3.01Å |
| 123 | M | 96.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 15% | 0.148 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 151.6 | 169.3 | 59.5 | -179.9 | -172.2 | 0 | 0 | 109.6 | W111 W146 Q147 C149 | W111-M123 HydrophobicContact CB-CE 4.41Å; W111-M123 HydrophobicContact CB-CG 4.41Å; W111-M123 HydrophobicContact CB-SD 3.66Å; W111-M123 HydrophobicContact CD2-CE 3.6Å; W111-M123 HydrophobicContact CD2-CG 4.06Å; W111-M123 HydrophobicContact CD2-SD 3.83Å; W111-M123 HydrophobicContact CE3-CB 4.19Å; W111-M123 HydrophobicContact CE3-CE 4.01Å; W111-M123 HydrophobicContact CE3-CG 3.6Å; W111-M123 HydrophobicContact CE3-SD 4.03Å; W111-M123 HydrophobicContact CG-CE 3.78Å; W111-M123 HydrophobicContact CG-CG 4.42Å; W111-M123 HydrophobicContact CG-SD 3.68Å; W111-M123 HydrophobicContact CZ2-CE 4.29Å; W111-M123 HydrophobicContact CZ3-CG 4.14Å; M123-W146 WeakPolarHBondContact O-CA 3.43Å; M123-Q147 HydrophobicContact CE-CB 3.71Å; M123-Q147 HydrophobicContact CE-CG 3.71Å; M123-Q147 HydrophobicContact CG-CB 4.14Å; M123-Q147 WeakPolarHBondContact CG-O 3.06Å; M123-Q147 PolarHBondContact N-O 3.44Å; M123-Q147 PolarHBondContact O-N 3.29Å; M123-C149 HydrophobicContact CG-CB 4.34Å; M123-C149 PolarHBondContact N-SG 3.5Å; M123-C149 VanDerWaalsContact N-SG 3.43Å; M123-C149 HydrophobicContact SD-CB 4.38Å |
| 124 | V | 96.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 69.1 Ų | 69.1 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.3 | -178.4 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | S112 Q144 Q145 W146 | S112-V124 VanDerWaalsContact CB-O 3.31Å; S112-V124 WeakPolarHBondContact CB-O 3.3Å; S112-V124 PolarHBondContact N-O 3.33Å; S112-V124 PolarHBondContact OG-N 3.2Å; S112-V124 PolarHBondContact OG-O 2.84Å; V124-Q144 HydrophobicContact CG2-CG 3.44Å; V124-Q144 VanDerWaalsContact CG2-CG 3.44Å; V124-Q145 WeakPolarHBondContact CA-O 2.99Å; V124-W146 HydrophobicContact CB-CD2 4.25Å; V124-W146 HydrophobicContact CB-CE3 3.87Å; V124-W146 HydrophobicContact CB-CH2 4.17Å; V124-W146 HydrophobicContact CB-CZ3 3.83Å; V124-W146 HydrophobicContact CG2-CD2 4.02Å; V124-W146 HydrophobicContact CG2-CE3 4.13Å; V124-W146 HydrophobicContact CG2-CH2 4.1Å; V124-W146 HydrophobicContact CG2-CZ2 3.98Å; V124-W146 HydrophobicContact CG2-CZ3 4.17Å |
| 125 | R | 97 | Very high | 90.1 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 21% | 0.208 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 156.4 | 167.7 | 66.8 | 178 | -178.5 | 174 | 0.6 | 110.3 | W108 W111 Q144 Q145 | W108-R125 HydrophobicContact CD2-CG 4.23Å; W108-R125 HydrophobicContact CE3-CB 4.42Å; W108-R125 HydrophobicContact CE3-CG 3.64Å; W108-R125 HydrophobicContact CZ3-CG 4.09Å; W111-R125 HydrophobicContact CD2-CB 3.95Å; W111-R125 HydrophobicContact CD2-CG 3.94Å; W111-R125 VanDerWaalsContact CE2-CD 3.44Å; W111-R125 HydrophobicContact CE3-CB 3.66Å; W111-R125 HydrophobicContact CE3-CG 3.67Å; W111-R125 HydrophobicContact CH2-CG 3.7Å; W111-R125 VanDerWaalsContact CZ2-CD 3.48Å; W111-R125 HydrophobicContact CZ2-CG 3.96Å; W111-R125 VanDerWaalsContact CZ2-NE 3.28Å; W111-R125 HydrophobicContact CZ3-CB 4.03Å; W111-R125 HydrophobicContact CZ3-CG 3.56Å; R125-Q144 WeakPolarHBondContact O-CA 3.36Å; R125-Q145 HydrophobicContact CG-CB 4.02Å; R125-Q145 PolarHBondContact N-O 2.01Å; R125-Q145 PolarHBondContact O-N 3.32Å |
| 126 | H | 95.8 | Very high | 89.6 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 155.5 | -176.4 | -57.4 | 89.7 | 0 | 0 | 0 | 110.3 | W108 S109 L143 Q144 | W108-H126 VanDerWaalsContact CE3-C 3.49Å; S109-H126 VanDerWaalsContact CB-O 3.25Å; S109-H126 WeakPolarHBondContact CB-O 3.44Å; S109-H126 PolarHBondContact N-O 2.89Å; S109-H126 PolarHBondContact OG-N 3.01Å; S109-H126 PolarHBondContact OG-O 2.03Å; H126-L143 CarbonylContact C-O 3.58Å; H126-L143 VanDerWaalsContact CA-O 3.28Å; H126-L143 WeakPolarHBondContact CA-O 3.26Å; H126-Q144 PolarHBondContact NE2-NE2 3.41Å |
| 127 | R | 95 | Very high | 89.3 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.9 | 167.5 | 63.9 | 179.2 | 171.6 | -175.2 | -4.1 | 110.5 | L105 P107 W108 D142 L143 | L105-R127 VanDerWaalsContact CD1-CZ 3.47Å; L105-R127 VanDerWaalsContact CD1-NH2 3.33Å; P107-R127 WeakPolarHBondContact O-CB 3.46Å; W108-R127 HydrophobicContact CD2-CB 4.01Å; W108-R127 HydrophobicContact CD2-CG 4.09Å; W108-R127 HydrophobicContact CE3-CB 3.68Å; W108-R127 HydrophobicContact CE3-CG 3.8Å; W108-R127 HydrophobicContact CH2-CG 3.85Å; W108-R127 HydrophobicContact CZ2-CG 4.14Å; W108-R127 VanDerWaalsContact CZ2-CZ 3.44Å; W108-R127 VanDerWaalsContact CZ2-NE 3.3Å; W108-R127 HydrophobicContact CZ3-CB 4.02Å; W108-R127 HydrophobicContact CZ3-CG 3.68Å; R127-D142 PolarHBondContact NE-O 3.29Å; R127-D142 PolarHBondContact NH2-O 2.88Å; R127-D142 IonicContact NH2-OD1 3.68Å; R127-L143 PolarHBondContact N-O 3.06Å |
| 128 | S | 91.6 | Very high | 89.2 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 163.5 | 172 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | G106 | G106-S128 PolarHBondContact N-O 3.16Å |
| 129 | C | 90.7 | Very high | 89 | Confident | 29 Ų | 29 | 71 Ų | 71 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.4 | 170.1 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | V104 L105 C138 L143 | V104-C129 WeakPolarHBondContact O-CA 2.99Å; L105-C129 HydrophobicContact CD2-CB 3.94Å; C129-C138 HydrophobicContact CB-CB 3.59Å; C129-C138 WeakPolarHBondContact CB-SG 3.26Å; C129-C138 WeakPolarHBondContact SG-CB 3.21Å; C129-C138 CovalentContact SG-SG 2.01Å; C129-C138 PolarHBondContact SG-SG 2.98Å; C129-L143 HydrophobicContact CB-CD2 3.47Å; C129-L143 VanDerWaalsContact CB-CD2 3.47Å |
| 130 | E | 85.8 | Confident | 88.9 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 109.6 | 179 | -168.2 | 176 | 174.2 | 0 | 0 | 109.3 | V104 | V104-E130 HydrophobicContact CB-CB 4.3Å; V104-E130 PolarHBondContact O-N 3.3Å |
| 131 | E | 80.8 | Confident | 88.5 | Confident | 166 Ų | 166 | 73 Ų | 73 | 78% | 0.776 | 39% | 0.393 | S | S | * | . | trans | -79.2 | 130.5 | 176 | -67.4 | -173.4 | 168.3 | 0 | 0 | 110.3 | ||||
| 132 | H | 82.1 | Confident | 88.1 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 40% | 0.403 | 41% | 0.405 | S | S | . | . | trans | -140.3 | 143.1 | 174.3 | -158.6 | -86.5 | 0 | 0 | 0 | 108.9 | D134 R135 | H132-D134 IonicContact CE1-OD2 3.28Å; H132-D134 PolarHBondContact CE1-OD2 2.94Å; H132-D134 PolarHBondContact ND1-N 2.83Å; H132-D134 IonicContact ND1-OD2 2.81Å; H132-D134 PolarHBondContact ND1-OD2 3.33Å; H132-D134 PolarHBondContact O-N 2.9Å; H132-D134 VanDerWaalsContact O-N 3.1Å; H132-R135 HydrophobicContact CB-CB 4.19Å; H132-R135 HydrophobicContact CB-CG 3.9Å; H132-R135 PolarHBondContact O-N 3.43Å | ||
| 133 | P | 81.8 | Confident | 87.8 | Confident | 115 Ų | 115 | 74.9 Ų | 74.9 | 75% | 0.747 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24 | 179.7 | 19.7 | -32.9 | 0 | 0 | 0 | 114.6 | ||
| 134 | D | 83.4 | Confident | 87.8 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.3 | 179.3 | -53.3 | -56.6 | 0 | 0 | 0 | 113.5 | L100 E101 H132 | L100-D134 WeakPolarHBondContact CD2-O 3.03Å; E101-D134 PolarHBondContact N-O 2.87Å; H132-D134 IonicContact CE1-OD2 3.28Å; H132-D134 PolarHBondContact CE1-OD2 2.94Å; H132-D134 PolarHBondContact ND1-N 2.83Å; H132-D134 IonicContact ND1-OD2 2.81Å; H132-D134 PolarHBondContact ND1-OD2 3.33Å; H132-D134 PolarHBondContact O-N 2.9Å; H132-D134 VanDerWaalsContact O-N 3.1Å |
| 135 | R | 83.4 | Confident | 87.7 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 23% | 0.234 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -112.8 | 150.8 | 179.8 | -69.5 | 178.3 | -168.6 | -64.9 | -16.5 | 111 | E101 C102 V104 H132 | E101-R135 HydrophobicContact CB-CG 3.93Å; E101-R135 CarbonylContact O-C 3.6Å; E101-R135 VanDerWaalsContact O-CA 3.26Å; E101-R135 WeakPolarHBondContact O-CA 3.03Å; E101-R135 IonicContact OE2-CZ 3.5Å; E101-R135 IonicContact OE2-NH1 2.7Å; E101-R135 PolarHBondContact OE2-NH1 2.89Å; E101-R135 IonicContact OE2-NH2 3.44Å; E101-R135 PolarHBondContact OE2-NH2 3.34Å; C102-R135 PolarHBondContact O-NH1 2.03Å; C102-R135 VanDerWaalsContact O-NH1 3.14Å; V104-R135 VanDerWaalsContact CG2-NH1 3.34Å; H132-R135 HydrophobicContact CB-CB 4.19Å; H132-R135 HydrophobicContact CB-CG 3.9Å; H132-R135 PolarHBondContact O-N 3.43Å |
| 136 | E | 84.4 | Confident | 87.6 | Confident | 37 Ų | 37 | 84.1 Ų | 84.1 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 142 | 167.6 | -83.2 | -71.6 | 139.8 | 0 | 0 | 110.4 | L100 E101 | L100-E136 HydrophobicContact CB-CG 3.95Å; L100-E136 HydrophobicContact CD1-CG 4.37Å; L100-E136 WeakPolarHBondContact CD1-OE1 3.42Å; E101-E136 PolarHBondContact O-N 2.88Å |
| 137 | P | 83.4 | Confident | 87.7 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 60% | 0.597 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 142.8 | 177.9 | 27.3 | -34.4 | 0 | 0 | 0 | 110.9 | Q139 | P137-Q139 PolarHBondContact O-N 3.01Š|
| 138 | C | 85.3 | Confident | 87.7 | Confident | 24 Ų | 24 | 87.7 Ų | 87.7 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 125.1 | 178.6 | -44.1 | 0 | 0 | 0 | 0 | 109.7 | C129 L143 | C129-C138 HydrophobicContact CB-CB 3.59Å; C129-C138 WeakPolarHBondContact CB-SG 3.26Å; C129-C138 WeakPolarHBondContact SG-CB 3.21Å; C129-C138 CovalentContact SG-SG 2.01Å; C129-C138 PolarHBondContact SG-SG 2.98Å; C138-L143 HydrophobicContact CB-CD1 4.47Å; C138-L143 HydrophobicContact CB-CD2 4.24Å |
| 139 | Q | 84.4 | Confident | 87.9 | Confident | 76 Ų | 76 | 84.8 Ų | 84.8 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 141.2 | 175.7 | -58.2 | -168.6 | -26.8 | 0 | 0 | 109.8 | P137 L141 D142 L143 | P137-Q139 PolarHBondContact O-N 3.01Å; Q139-L141 PolarHBondContact O-N 2.03Å; Q139-L141 VanDerWaalsContact O-N 3.17Å; Q139-D142 WeakPolarHBondContact O-CA 3.38Å; Q139-D142 WeakPolarHBondContact O-CB 3.26Å; Q139-D142 PolarHBondContact O-N 2.86Å; Q139-L143 PolarHBondContact O-N 3.2Å |
| 140 | A | 84.1 | Confident | 88 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.5 | -33.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D142 L143 | A140-D142 PolarHBondContact O-N 3.2Å; A140-L143 PolarHBondContact O-N 3.45Å; A140-L143 VanDerWaalsContact O-N 3.1Å |
| 141 | L | 84.2 | Confident | 88.3 | Confident | 150 Ų | 150 | 85.6 Ų | 85.6 | 79% | 0.785 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.8 | -28.9 | 174.4 | -77 | 147.5 | 0 | 0 | 0 | 112.9 | Q139 | Q139-L141 PolarHBondContact O-N 2.03Å; Q139-L141 VanDerWaalsContact O-N 3.17Å |
| 142 | D | 85.6 | Confident | 88.9 | Confident | 51 Ų | 51 | 84.9 Ų | 84.9 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -80 | -22 | 176.1 | -71.7 | -47.7 | 0 | 0 | 0 | 112 | L105 W108 R127 Q139 A140 | L105-D142 HydrophobicContact CD1-CB 4.46Å; L105-D142 HydrophobicContact CD2-CB 4.12Å; W108-D142 WeakPolarHBondContact CH2-O 3.44Å; R127-D142 PolarHBondContact NE-O 3.29Å; R127-D142 PolarHBondContact NH2-O 2.88Å; R127-D142 IonicContact NH2-OD1 3.68Å; Q139-D142 WeakPolarHBondContact O-CA 3.38Å; Q139-D142 WeakPolarHBondContact O-CB 3.26Å; Q139-D142 PolarHBondContact O-N 2.86Å; A140-D142 PolarHBondContact O-N 3.2Å |
| 143 | L | 92.2 | Very high | 89.2 | Confident | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -88.9 | -16.9 | -173.7 | -59.1 | 179.1 | 0 | 0 | 0 | 113.8 | L105 H126 R127 C129 C138 Q139 A140 | L105-L143 HydrophobicContact CD2-CD2 4.24Å; H126-L143 CarbonylContact C-O 3.58Å; H126-L143 VanDerWaalsContact CA-O 3.28Å; H126-L143 WeakPolarHBondContact CA-O 3.26Å; R127-L143 PolarHBondContact N-O 3.06Å; C129-L143 HydrophobicContact CB-CD2 3.47Å; C129-L143 VanDerWaalsContact CB-CD2 3.47Å; C138-L143 HydrophobicContact CB-CD1 4.47Å; C138-L143 HydrophobicContact CB-CD2 4.24Å; Q139-L143 PolarHBondContact O-N 3.2Å; A140-L143 PolarHBondContact O-N 3.45Å; A140-L143 VanDerWaalsContact O-N 3.1Å |
| 144 | Q | 94.9 | Very high | 89.5 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 132.5 | -174.7 | -174 | 178.8 | 72 | 0 | 0 | 110.9 | V124 R125 H126 W146 | V124-Q144 HydrophobicContact CG2-CG 3.44Å; V124-Q144 VanDerWaalsContact CG2-CG 3.44Å; R125-Q144 WeakPolarHBondContact O-CA 3.36Å; H126-Q144 PolarHBondContact NE2-NE2 3.41Å; Q144-W146 HydrophobicContact CG-CZ2 4.47Å; Q144-W146 VanDerWaalsContact OE1-CZ2 3.29Å |
| 145 | Q | 95.8 | Very high | 89.7 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.5 | 174.5 | -166.1 | -178 | 27.6 | 0 | 0 | 111.1 | W108 W111 V124 R125 | W108-Q145 HydrophobicContact CH2-CB 3.76Å; W108-Q145 HydrophobicContact CZ2-CB 4.23Å; W108-Q145 HydrophobicContact CZ3-CB 4.01Å; W111-Q145 HydrophobicContact CH2-CB 4.16Å; W111-Q145 HydrophobicContact CH2-CG 3.95Å; W111-Q145 VanDerWaalsContact CZ3-O 3.31Å; W111-Q145 WeakPolarHBondContact CZ3-O 3.46Å; V124-Q145 WeakPolarHBondContact CA-O 2.99Å; R125-Q145 HydrophobicContact CG-CB 4.02Å; R125-Q145 PolarHBondContact N-O 2.01Å; R125-Q145 PolarHBondContact O-N 3.32Å |
| 146 | W | 95.9 | Very high | 89.9 | Confident | 148 Ų | 148 | 87.6 Ų | 87.6 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 144 | 176.8 | -59.6 | 86.6 | 0 | 0 | 0 | 110.4 | M123 V124 Q144 | M123-W146 WeakPolarHBondContact O-CA 3.43Å; V124-W146 HydrophobicContact CB-CD2 4.25Å; V124-W146 HydrophobicContact CB-CE3 3.87Å; V124-W146 HydrophobicContact CB-CH2 4.17Å; V124-W146 HydrophobicContact CB-CZ3 3.83Å; V124-W146 HydrophobicContact CG2-CD2 4.02Å; V124-W146 HydrophobicContact CG2-CE3 4.13Å; V124-W146 HydrophobicContact CG2-CH2 4.1Å; V124-W146 HydrophobicContact CG2-CZ2 3.98Å; V124-W146 HydrophobicContact CG2-CZ3 4.17Å; Q144-W146 HydrophobicContact CG-CZ2 4.47Å; Q144-W146 VanDerWaalsContact OE1-CZ2 3.29Å |
| 147 | Q | 96.4 | Very high | 89.8 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.7 | 172.6 | -175.6 | 174.9 | -10.6 | 0 | 0 | 110.1 | W111 T122 M123 | W111-Q147 HydrophobicContact CH2-CB 3.52Å; W111-Q147 HydrophobicContact CZ2-CB 4.02Å; W111-Q147 HydrophobicContact CZ3-CB 3.79Å; T122-Q147 WeakPolarHBondContact CA-O 3.01Å; M123-Q147 HydrophobicContact CE-CB 3.71Å; M123-Q147 HydrophobicContact CE-CG 3.71Å; M123-Q147 HydrophobicContact CG-CB 4.14Å; M123-Q147 WeakPolarHBondContact CG-O 3.06Å; M123-Q147 PolarHBondContact N-O 3.44Å; M123-Q147 PolarHBondContact O-N 3.29Å |
| 148 | E | 96.4 | Very high | 90 | Very high | 122 Ų | 122 | 87.2 Ų | 87.2 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 142.9 | 172.4 | -61.1 | -171.8 | 158.6 | 0 | 0 | 111 | G121 L151 | G121-E148 WeakPolarHBondContact O-CA 3.45Å; E148-L151 HydrophobicContact CB-CD2 3.99Å |
| 149 | C | 95.2 | Very high | 90.2 | Very high | 16 Ų | 16 | 92.6 Ų | 92.6 | 11% | 0.108 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.4 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | C114 G121 M123 L151 | C114-C149 VanDerWaalsContact CA-SG 3.51Å; C114-C149 HydrophobicContact CB-CB 3.92Å; C114-C149 WeakPolarHBondContact CB-SG 2.98Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 2.01Å; C114-C149 PolarHBondContact SG-SG 3.1Å; G121-C149 CarbonylContact C-O 3.6Å; G121-C149 VanDerWaalsContact C-SG 3.54Å; G121-C149 PolarHBondContact N-O 3.28Å; G121-C149 PolarHBondContact O-N 3.22Å; M123-C149 HydrophobicContact CG-CB 4.34Å; M123-C149 PolarHBondContact N-SG 3.5Å; M123-C149 VanDerWaalsContact N-SG 3.43Å; M123-C149 HydrophobicContact SD-CB 4.38Å; C149-L151 PolarHBondContact O-N 2.94Å |
| 150 | N | 91.9 | Very high | 90.1 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | trans | 51.3 | 53.4 | 176.4 | -60.9 | -22.1 | 0 | 0 | 0 | 114 | C114 A116 C118 G119 K120 Q152 | C114-N150 VanDerWaalsContact CB-ND2 3.33Å; C114-N150 WeakPolarHBondContact CB-ND2 3.25Å; C114-N150 PolarHBondContact SG-ND2 2.03Å; A116-N150 WeakPolarHBondContact O-CB 3.06Å; A116-N150 PolarHBondContact O-ND2 3.48Å; C118-N150 CarbonylContact C-O 3.53Å; G119-N150 PolarHBondContact N-O 3.36Å; K120-N150 PolarHBondContact N-O 2.91Å; N150-Q152 PolarHBondContact O-N 3.36Å; N150-Q152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | L | 93.4 | Very high | 90.1 | Very high | 96 Ų | 96 | 95.5 Ų | 95.5 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | trans | -68.8 | -7.1 | -179.4 | -58.1 | 179.4 | 0 | 0 | 0 | 114.3 | K120 E148 C149 | K120-L151 HydrophobicContact CB-CD2 4.32Å; K120-L151 HydrophobicContact CD-CD2 4.48Å; K120-L151 HydrophobicContact CG-CD2 3.85Å; E148-L151 HydrophobicContact CB-CD2 3.99Å; C149-L151 PolarHBondContact O-N 2.94Å | ||
| 152 | Q | 91.6 | Very high | 90.1 | Very high | 151 Ų | 151 | 94.3 Ų | 94.3 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -68.1 | 140.7 | -180 | -59.1 | -54.9 | -47.3 | 0 | 0 | 110.5 | G119 N150 | G119-Q152 PolarHBondContact N-O 2.88Å; N150-Q152 PolarHBondContact O-N 3.36Å; N150-Q152 VanDerWaalsContact O-N 3.16Å |
| 153 | A | 89.6 | Confident | 89.8 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 74% | 0.744 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 142.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 154 | C | 87.6 | Confident | 89.4 | Confident | 48 Ų | 48 | 96 Ų | 96 | 32% | 0.324 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 147.9 | 172 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | C118 G119 L163 | C118-C154 HydrophobicContact CB-CB 4Å; C118-C154 WeakPolarHBondContact CB-SG 3.41Å; C118-C154 PolarHBondContact O-SG 2.83Å; C118-C154 VanDerWaalsContact O-SG 3.38Å; C118-C154 WeakPolarHBondContact SG-CA 3.26Å; C118-C154 WeakPolarHBondContact SG-CB 3.44Å; C118-C154 CovalentContact SG-SG 2.03Å; C118-C154 PolarHBondContact SG-SG 3.19Å; G119-C154 PolarHBondContact N-SG 3.31Å; C154-L163 HydrophobicContact CB-CD2 3.84Å; C154-L163 WeakPolarHBondContact SG-CD2 3.48Å |
| 155 | P | 87.4 | Confident | 88.6 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.3 | 171.6 | 27.2 | -33.3 | 0 | 0 | 0 | 110.7 | L163 | P155-L163 HydrophobicContact CG-CD1 4.02Š|
| 156 | E | 87.3 | Confident | 87.8 | Confident | 194 Ų | 194 | 97 Ų | 97 | 91% | 0.907 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.9 | 174.3 | -68.6 | -175.7 | 154.6 | 0 | 0 | 110.3 | ||
| 157 | C | 83.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 93.1 Ų | 93.1 | 37% | 0.365 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -84.9 | 140.5 | 174.4 | -68.5 | 0 | 0 | 0 | 0 | 110.8 | Q161 L163 | C157-Q161 HydrophobicContact CB-CB 4.06Å; C157-L163 PolarHBondContact SG-N 2.91Å |
| 158 | P | 87.6 | Confident | 85.8 | Confident | 67 Ų | 67 | 94.3 Ų | 94.3 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 162.9 | 170 | -21.5 | 31.5 | 0 | 0 | 0 | 112.8 | G160 Q161 | P158-G160 PolarHBondContact O-N 3.25Å; P158-Q161 PolarHBondContact O-N 2.8Å; P158-Q161 VanDerWaalsContact O-N 3.08Å |
| 159 | P | 88.1 | Confident | 84.9 | Confident | 137 Ų | 137 | 95.3 Ų | 95.3 | 89% | 0.89 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 127.5 | 179.4 | -21 | 31.6 | 0 | 0 | 0 | 111.9 | ||
| 160 | G | 84.2 | Confident | 84 | Confident | 90 Ų | 90 | 99.6 Ų | 99.6 | 93% | 0.928 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.7 | 0.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | P158 | P158-G160 PolarHBondContact O-N 3.25Š|
| 161 | Q | 83.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 99.9 Ų | 99.9 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | trans | -103.3 | 152 | 171.8 | -63.3 | -175.3 | 24.2 | 0 | 0 | 111.3 | C157 P158 | C157-Q161 HydrophobicContact CB-CB 4.06Å; P158-Q161 PolarHBondContact O-N 2.8Å; P158-Q161 VanDerWaalsContact O-N 3.08Å | ||
| 162 | V | 82.6 | Confident | 82.9 | Confident | 126 Ų | 126 | 98 Ų | 98 | 76% | 0.764 | 61% | 0.609 | S | S | * | * | trans | -120.9 | 141.7 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 109.5 | S164 | V162-S164 PolarHBondContact O-N 2.88Š| ||
| 163 | L | 81.1 | Confident | 82.5 | Confident | 88 Ų | 88 | 95.7 Ų | 95.7 | 46% | 0.461 | 60% | 0.6 | S | S | . | * | trans | -63.7 | 123.6 | 173.6 | -174.7 | 78.8 | 0 | 0 | 0 | 108.8 | C154 P155 C157 | C154-L163 HydrophobicContact CB-CD2 3.84Å; C154-L163 WeakPolarHBondContact SG-CD2 3.48Å; P155-L163 HydrophobicContact CG-CD1 4.02Å; C157-L163 PolarHBondContact SG-N 2.91Å | ||
| 164 | S | 83.2 | Confident | 82.3 | Confident | 51 Ų | 51 | 96 Ų | 96 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | trans | -131.7 | 141.1 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | V162 C166 | V162-S164 PolarHBondContact O-N 2.88Å; S164-C166 PolarHBondContact O-N 2.84Å; S164-C166 PolarHBondContact OG-N 2.8Å; S164-C166 PolarHBondContact OG-SG 3.49Å | ||
| 165 | T | 77.9 | Confident | 82.3 | Confident | 115 Ų | 115 | 96.4 Ų | 96.4 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -13.7 | 175 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | V117 | V117-T165 HydrophobicContact CB-CG2 4.44Å; V117-T165 HydrophobicContact CG1-CG2 3.69Å; V117-T165 HydrophobicContact CG2-CG2 3.87Å |
| 166 | C | 78.8 | Confident | 82.2 | Confident | 57 Ų | 57 | 96.4 Ų | 96.4 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.4 | 28.5 | -179.7 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | S164 T168 M169 | S164-C166 PolarHBondContact O-N 2.84Å; S164-C166 PolarHBondContact OG-N 2.8Å; S164-C166 PolarHBondContact OG-SG 3.49Å; C166-T168 PolarHBondContact O-N 2.93Å; C166-M169 HydrophobicContact CB-CB 4.07Å; C166-M169 HydrophobicContact CB-CG 3.76Å; C166-M169 HydrophobicContact CB-SD 3.39Å; C166-M169 WeakPolarHBondContact CB-SD 3.35Å; C166-M169 WeakPolarHBondContact O-CB 3.43Å; C166-M169 PolarHBondContact O-N 2.81Å |
| 167 | A | 76.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 93 Ų | 93 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -21.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | S172 | A167-S172 WeakPolarHBondContact O-CB 3.47Š|
| 168 | T | 74.1 | Confident | 82.1 | Confident | 123 Ų | 123 | 99.3 Ų | 99.3 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -0 | 175.5 | 33.9 | 0 | 0 | 0 | 0 | 114.3 | C166 C170 | C166-T168 PolarHBondContact O-N 2.93Å; T168-C170 PolarHBondContact O-N 2.65Å |
| 169 | M | 76.1 | Confident | 81.5 | Confident | 143 Ų | 143 | 105.6 Ų | 105.6 | 70% | 0.704 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -74.6 | 121.7 | 172.9 | -70.3 | -178.3 | 64.3 | 0 | 0 | 109.4 | C166 | C166-M169 HydrophobicContact CB-CB 4.07Å; C166-M169 HydrophobicContact CB-CG 3.76Å; C166-M169 HydrophobicContact CB-SD 3.39Å; C166-M169 WeakPolarHBondContact CB-SD 3.35Å; C166-M169 WeakPolarHBondContact O-CB 3.43Å; C166-M169 PolarHBondContact O-N 2.81Å |
| 170 | C | 77.9 | Confident | 81.1 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 72% | 0.716 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -63.3 | 150.7 | -168.6 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | T168 | T168-C170 PolarHBondContact O-N 2.65Š|
| 171 | P | 83.1 | Confident | 81 | Confident | 76 Ų | 76 | 104.8 Ų | 104.8 | 49% | 0.494 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | cis | -88.9 | 116.9 | -4.4 | 28.3 | -25.1 | 0 | 0 | 0 | 112.7 | H176 L177 | P171-H176 HydrophobicContact CB-CB 3.45Å; P171-H176 VanDerWaalsContact CB-CB 3.45Å; P171-L177 HydrophobicContact CB-CD2 3.96Å; P171-L177 HydrophobicContact CB-CG 4.26Å; P171-L177 HydrophobicContact CG-CD2 3.49Å; P171-L177 VanDerWaalsContact CG-CD2 3.49Å; P171-L177 HydrophobicContact CG-CG 4.24Å |
| 172 | S | 79.2 | Confident | 80.8 | Confident | 57 Ų | 57 | 103.6 Ų | 103.6 | 40% | 0.399 | 61% | 0.608 | S | S | . | * | trans | -87.3 | -11.8 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 115.5 | A167 H176 | A167-S172 WeakPolarHBondContact O-CB 3.47Å; S172-H176 PolarHBondContact N-ND1 3.2Å; S172-H176 PolarHBondContact OG-CE1 3.18Å; S172-H176 VanDerWaalsContact OG-CE1 3.25Å; S172-H176 PolarHBondContact OG-ND1 2.63Å | ||
| 173 | L | 82.9 | Confident | 80.7 | Confident | 101 Ų | 101 | 102.2 Ų | 102.2 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -131.8 | 152.2 | 176 | -70.3 | 96.8 | 0 | 0 | 0 | 109.8 | S175 H176 | L173-S175 WeakPolarHBondContact CB-OG 3.17Å; L173-S175 PolarHBondContact O-N 3.28Å; L173-S175 VanDerWaalsContact O-N 3.17Å; L173-H176 VanDerWaalsContact CD1-CE1 3.44Å; L173-H176 WeakPolarHBondContact CD1-CE1 3.22Å; L173-H176 PolarHBondContact N-ND1 3.05Å; L173-H176 VanDerWaalsContact O-CB 3.29Å; L173-H176 WeakPolarHBondContact O-CB 3.38Å; L173-H176 PolarHBondContact O-N 3.16Å |
| 174 | C | 84.7 | Confident | 80.7 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 66% | 0.662 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -58.1 | -29.3 | 174.5 | -61 | 0 | 0 | 0 | 0 | 112.6 | H176 L177 | C174-H176 PolarHBondContact O-N 2.97Å; C174-L177 WeakPolarHBondContact O-CB 2.93Å; C174-L177 PolarHBondContact O-N 3.33Å; C174-L177 VanDerWaalsContact O-N 3.08Å |
| 175 | S | 87.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 106.6 Ų | 106.6 | 39% | 0.385 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -65 | -22.1 | 174.9 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | L173 L177 | L173-S175 WeakPolarHBondContact CB-OG 3.17Å; L173-S175 PolarHBondContact O-N 3.28Å; L173-S175 VanDerWaalsContact O-N 3.17Å; S175-L177 PolarHBondContact O-N 3.44Å |
| 176 | H | 86.4 | Confident | 80.7 | Confident | 92 Ų | 92 | 106 Ų | 106 | 43% | 0.426 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -76.5 | -10.1 | 174.1 | -60.4 | 156.4 | 0 | 0 | 0 | 113.1 | P171 S172 L173 C174 | P171-H176 HydrophobicContact CB-CB 3.45Å; P171-H176 VanDerWaalsContact CB-CB 3.45Å; S172-H176 PolarHBondContact N-ND1 3.2Å; S172-H176 PolarHBondContact OG-CE1 3.18Å; S172-H176 VanDerWaalsContact OG-CE1 3.25Å; S172-H176 PolarHBondContact OG-ND1 2.63Å; L173-H176 VanDerWaalsContact CD1-CE1 3.44Å; L173-H176 WeakPolarHBondContact CD1-CE1 3.22Å; L173-H176 PolarHBondContact N-ND1 3.05Å; L173-H176 VanDerWaalsContact O-CB 3.29Å; L173-H176 WeakPolarHBondContact O-CB 3.38Å; L173-H176 PolarHBondContact O-N 3.16Å; C174-H176 PolarHBondContact O-N 2.97Å |
| 177 | L | 83.4 | Confident | 80.8 | Confident | 124 Ų | 124 | 109.8 Ų | 109.8 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -95 | -5.3 | 177.3 | -63.1 | 172.4 | 0 | 0 | 0 | 112.7 | P171 C174 S175 | P171-L177 HydrophobicContact CB-CD2 3.96Å; P171-L177 HydrophobicContact CB-CG 4.26Å; P171-L177 HydrophobicContact CG-CD2 3.49Å; P171-L177 VanDerWaalsContact CG-CD2 3.49Å; P171-L177 HydrophobicContact CG-CG 4.24Å; C174-L177 WeakPolarHBondContact O-CB 2.93Å; C174-L177 PolarHBondContact O-N 3.33Å; C174-L177 VanDerWaalsContact O-N 3.08Å; S175-L177 PolarHBondContact O-N 3.44Å |
| 178 | W | 85.8 | Confident | 81.2 | Confident | 186 Ų | 186 | 113.3 Ų | 113.3 | 71% | 0.705 | 64% | 0.643 | S | S | * | * | trans | -82.7 | 137.9 | 177.1 | -57.7 | -24.7 | 0 | 0 | 0 | 110.2 | ||||
| 179 | P | 73.2 | Confident | 81.8 | Confident | 199 Ų | 199 | 112.5 Ų | 112.5 | 100% | 1.292 | 63% | 0.633 | S | S | * | * | trans | -69 | 0 | 179 | 28.9 | -34.9 | 0 | 0 | 0 | 113.7 |
Retrieved 179 of 179 residues in 158.5 ms
(Link to these results)