| 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 | 33.6 | Very low | 39.8 | Very low | 241 Ų | 241 | 104.7 Ų | 104.7 | 100% | 1.187 | 66% | 0.664 | S | S | * | * | 0 | 108.8 | 0 | -62.5 | 171.6 | -176.4 | 0 | 0 | 105.9 | |||||
| 2 | N | 30.8 | Very low | 41.2 | Very low | 160 Ų | 160 | 113.1 Ų | 113.1 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | cis | -126.3 | 115.3 | 18.5 | -79.7 | -29.3 | 0 | 0 | 0 | 109.8 | G4 | N2-G4 PolarHBondContact O-N 3.24Å; N2-G4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | S | 34.4 | Very low | 42.8 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | trans | -78 | 80.6 | 157.6 | 52.9 | 0 | 0 | 0 | 0 | 106.9 | V5 | S3-V5 PolarHBondContact O-N 3.38Š| ||
| 4 | G | 31 | Very low | 44.3 | Very low | 63 Ų | 63 | 118.1 Ų | 118.1 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -60.6 | 109.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | N2 | N2-G4 PolarHBondContact O-N 3.24Å; N2-G4 VanDerWaalsContact O-N 3.08Å | ||
| 5 | V | 34.7 | Very low | 45.9 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 124.6 | 165.3 | -179 | 0 | 0 | 0 | 0 | 106.2 | S3 A7 | S3-V5 PolarHBondContact O-N 3.38Å; V5-A7 PolarHBondContact O-N 3.4Å; V5-A7 VanDerWaalsContact O-N 3.09Å |
| 6 | P | 39.2 | Very low | 47.4 | Very low | 77 Ų | 77 | 116.1 Ų | 116.1 | 50% | 0.5 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 124.7 | 176.8 | -19.8 | 30.3 | 0 | 0 | 0 | 107.5 | T8 | P6-T8 PolarHBondContact O-N 3.19Š|
| 7 | A | 41.8 | Very low | 48.9 | Very low | 85 Ų | 85 | 111.9 Ų | 111.9 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 119.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | V5 L9 | V5-A7 PolarHBondContact O-N 3.4Å; V5-A7 VanDerWaalsContact O-N 3.09Å; A7-L9 PolarHBondContact O-N 3.26Å; A7-L9 VanDerWaalsContact O-N 3.15Å |
| 8 | T | 43.6 | Very low | 49.8 | Very low | 108 Ų | 108 | 106.8 Ų | 106.8 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125.4 | -174 | -37.1 | 0 | 0 | 0 | 0 | 108.4 | P6 A10 E269 | P6-T8 PolarHBondContact O-N 3.19Å; T8-A10 PolarHBondContact O-N 3.11Å; T8-E269 WeakPolarHBondContact CA-OE1 3.48Å; T8-E269 WeakPolarHBondContact CG2-OE1 3.47Å |
| 9 | L | 49.9 | Very low | 51.4 | Low | 43 Ų | 43 | 108.6 Ų | 108.6 | 23% | 0.225 | 59% | 0.594 | C | S | . | * | trans | -71.4 | 65.2 | 179.6 | -97.3 | 153.6 | 0 | 0 | 0 | 108.5 | A7 V11 W247 E269 L271 I290 | A7-L9 PolarHBondContact O-N 3.26Å; A7-L9 VanDerWaalsContact O-N 3.15Å; L9-V11 PolarHBondContact O-N 2.89Å; L9-W247 HydrophobicContact CD1-CZ3 4.34Å; L9-E269 WeakPolarHBondContact CB-OE2 3.46Å; L9-E269 PolarHBondContact N-OE1 3.12Å; L9-E269 PolarHBondContact N-OE2 3.23Å; L9-L271 VanDerWaalsContact O-CD2 3.23Å; L9-L271 WeakPolarHBondContact O-CD2 3.41Å; L9-I290 HydrophobicContact CD1-CD1 4.14Å | ||
| 10 | A | 45.6 | Very low | 53.1 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 51% | 0.512 | 58% | 0.575 | S | S | . | * | trans | -55.9 | 133.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | T8 R12 | T8-A10 PolarHBondContact O-N 3.11Å; A10-R12 VanDerWaalsContact C-N 3.29Å; A10-R12 VanDerWaalsContact O-CG 3.31Å; A10-R12 WeakPolarHBondContact O-CG 3.45Å; A10-R12 PolarHBondContact O-N 3.43Å | ||
| 11 | V | 53 | Low | 54.4 | Low | 66 Ų | 66 | 103.2 Ų | 103.2 | 40% | 0.4 | 58% | 0.577 | S | S | . | * | trans | -60.1 | 95.3 | 171.2 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | L9 V14 L271 Q273 | L9-V11 PolarHBondContact O-N 2.89Å; V11-V14 HydrophobicContact CG1-CG2 3.71Å; V11-L271 HydrophobicContact CG2-CB 4.39Å; V11-L271 HydrophobicContact CG2-CD1 4.28Å; V11-L271 HydrophobicContact CG2-CD2 4.3Å; V11-Q273 HydrophobicContact CG2-CG 4.17Å | ||
| 12 | R | 57.3 | Low | 56.9 | Low | 205 Ų | 205 | 93.2 Ų | 93.2 | 77% | 0.774 | 54% | 0.536 | S | S | * | . | trans | -75.3 | -34.6 | -168.7 | -74.1 | -169.6 | 175.9 | -168.6 | -0.8 | 112.5 | A10 | A10-R12 VanDerWaalsContact C-N 3.29Å; A10-R12 VanDerWaalsContact O-CG 3.31Å; A10-R12 WeakPolarHBondContact O-CG 3.45Å; A10-R12 PolarHBondContact O-N 3.43Å | ||
| 13 | R | 61.9 | Low | 59.5 | Low | 231 Ų | 231 | 92.1 Ų | 92.1 | 87% | 0.872 | 53% | 0.525 | S | S | * | . | trans | -151.7 | 133.4 | -178.3 | -67.6 | -172.2 | 176.5 | 175.3 | -2.2 | 111.2 | ||||
| 14 | V | 64 | Low | 62.1 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | trans | -112.4 | 131.9 | 170.4 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | V11 F16 V275 | V11-V14 HydrophobicContact CG1-CG2 3.71Å; V14-F16 HydrophobicContact CG1-CE1 4.44Å; V14-F16 HydrophobicContact CG1-CE2 4.21Å; V14-F16 HydrophobicContact CG1-CZ 4.1Å; V14-V275 HydrophobicContact CG1-CG1 4.11Å | ||
| 15 | K | 68.4 | Low | 64.8 | Low | 96 Ų | 96 | 86.1 Ų | 86.1 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | trans | -120.5 | 144.4 | 172.4 | -80.7 | 177.5 | 171.4 | -82.7 | 0 | 109.4 | F17 T50 R51 S52 | K15-F17 HydrophobicContact CB-CE2 4.1Å; K15-F17 HydrophobicContact CB-CZ 4.39Å; K15-T50 WeakPolarHBondContact CD-O 3.29Å; K15-T50 WeakPolarHBondContact CE-O 3.45Å; K15-R51 WeakPolarHBondContact CE-O 3.36Å; K15-R51 PolarHBondContact NZ-O 2.76Å; K15-S52 VanDerWaalsContact NZ-C 3.34Å; K15-S52 PolarHBondContact NZ-O 3.33Å | ||
| 16 | F | 69.7 | Low | 67.4 | Low | 109 Ų | 109 | 80.4 Ų | 80.4 | 48% | 0.478 | 44% | 0.436 | S | S | . | . | trans | -111.4 | 125.1 | 175.5 | -58.7 | -87.3 | 0 | 0 | 0 | 109.4 | V14 V275 A296 | V14-F16 HydrophobicContact CG1-CE1 4.44Å; V14-F16 HydrophobicContact CG1-CE2 4.21Å; V14-F16 HydrophobicContact CG1-CZ 4.1Å; F16-V275 HydrophobicContact CE1-CG1 3.41Å; F16-V275 VanDerWaalsContact CE1-CG1 3.41Å; F16-V275 HydrophobicContact CE2-CG1 4.41Å; F16-V275 HydrophobicContact CZ-CG1 3.21Å; F16-A296 HydrophobicContact CD1-CB 3.72Å; F16-A296 HydrophobicContact CE1-CB 3.52Å | ||
| 17 | F | 72.4 | Confident | 69.8 | Low | 45 Ų | 45 | 77 Ų | 77 | 20% | 0.197 | 41% | 0.414 | C | S | . | . | trans | -99.2 | 129.3 | 169.5 | -54.5 | -94.9 | 0 | 0 | 0 | 106.5 | K15 L36 W48 R301 | K15-F17 HydrophobicContact CB-CE2 4.1Å; K15-F17 HydrophobicContact CB-CZ 4.39Å; F17-L36 HydrophobicContact CD1-CD2 4.43Å; F17-L36 HydrophobicContact CD2-CD2 3.72Å; F17-L36 HydrophobicContact CE1-CD2 4.2Å; F17-L36 HydrophobicContact CE2-CD2 3.51Å; F17-L36 HydrophobicContact CG-CD2 4.19Å; F17-L36 HydrophobicContact CZ-CD2 3.76Å; F17-W48 HydrophobicContact CB-CD2 4.04Å; F17-W48 HydrophobicContact CB-CE3 4.17Å; F17-W48 HydrophobicContact CB-CH2 4.47Å; F17-W48 HydrophobicContact CB-CZ2 4.33Å; F17-W48 HydrophobicContact CB-CZ3 4.35Å; F17-W48 HydrophobicContact CD1-CB 3.61Å; F17-W48 AromaticContact CD1-CD2 3.55Å; F17-W48 HydrophobicContact CD1-CD2 3.55Å; F17-W48 AromaticContact CD1-CE3 3.66Å; F17-W48 HydrophobicContact CD1-CE3 3.66Å; F17-W48 AromaticContact CD1-CG 3.51Å; F17-W48 HydrophobicContact CD1-CG 3.51Å; F17-W48 HydrophobicContact CE1-CB 3.55Å; F17-W48 HydrophobicContact CE1-CD2 4.42Å; F17-W48 AromaticContact CE1-CG 3.98Å; F17-W48 HydrophobicContact CE1-CG 3.98Å; F17-W48 HydrophobicContact CG-CD2 4.17Å; F17-W48 HydrophobicContact CG-CE3 4.39Å; F17-W48 HydrophobicContact CG-CG 4.27Å; F17-R301 PolarHBondContact O-NH2 3.07Å | ||
| 18 | G | 65.4 | Low | 72.1 | Confident | 19 Ų | 19 | 73.6 Ų | 73.6 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | trans | -136 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | W48 | G18-W48 WeakPolarHBondContact O-CH2 3.28Å; G18-W48 WeakPolarHBondContact O-CZ3 2.99Å | ||
| 19 | Q | 80.3 | Confident | 74.3 | Confident | 142 Ų | 142 | 70.3 Ų | 70.3 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | trans | 97.6 | 4.7 | -169.3 | -54.4 | 169.9 | 7.5 | 0 | 0 | 114.9 | Y46 W48 | Q19-Y46 WeakPolarHBondContact O-CE1 3.28Å; Q19-Y46 PolarHBondContact O-OH 3.34Å; Q19-Y46 VanDerWaalsContact O-OH 3.14Å; Q19-W48 HydrophobicContact CB-CH2 4.39Å | ||
| 20 | H | 84.2 | Confident | 76.3 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | trans | -62 | 136.3 | 165.9 | -58.3 | 85.1 | 0 | 0 | 0 | 110.8 | G22 V24 T38 Y46 W48 | H20-G22 WeakPolarHBondContact CB-O 2.96Å; H20-V24 HydrophobicContact CB-CG2 4.29Å; H20-V24 VanDerWaalsContact CD2-CG2 3.43Å; H20-V24 WeakPolarHBondContact CD2-CG2 3.31Å; H20-T38 PolarHBondContact NE2-OG1 3.47Å; H20-Y46 WeakPolarHBondContact CA-OH 3.17Å; H20-Y46 AromaticContact CD2-CD2 3.66Å; H20-Y46 AromaticContact CD2-CE2 3.78Å; H20-W48 AromaticContact CE1-CZ2 3.38Å; H20-W48 WeakPolarHBondContact CE1-CZ2 3.16Å; H20-W48 AromaticContact NE2-CZ2 3.63Å | ||
| 21 | G | 82.3 | Confident | 78.4 | Confident | 60 Ų | 60 | 69 Ų | 69 | 62% | 0.619 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.7 | -6.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | D42 Y46 | G21-D42 PolarHBondContact N-OD2 2.82Å; G21-Y46 PolarHBondContact N-OH 3.34Å; G21-Y46 VanDerWaalsContact N-OH 3.14Å |
| 22 | G | 85.1 | Confident | 80.1 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -161 | -170.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H20 S40 | H20-G22 WeakPolarHBondContact CB-O 2.96Å; G22-S40 PolarHBondContact N-OG 3.4Å; G22-S40 PolarHBondContact O-OG 3.21Å; G22-S40 VanDerWaalsContact O-OG 3.14Å |
| 23 | E | 85.8 | Confident | 81.4 | Confident | 136 Ų | 136 | 61.2 Ų | 61.2 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | trans | -61.4 | 153.5 | 177.3 | -59.5 | -168.2 | 172.1 | 0 | 0 | 111.5 | S40 E41 | E23-S40 CarbonylContact O-C 3.57Å; E23-S40 WeakPolarHBondContact O-CA 3.38Å; E23-S40 WeakPolarHBondContact O-CB 3.46Å; E23-S40 PolarHBondContact O-OG 3.38Å; E23-E41 HydrophobicContact CB-CG 3.97Å; E23-E41 PolarHBondContact O-N 3.41Å | ||
| 24 | V | 88.3 | Confident | 82.8 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.9 | 175.7 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | H20 S26 T38 H280 | H20-V24 HydrophobicContact CB-CG2 4.29Å; H20-V24 VanDerWaalsContact CD2-CG2 3.43Å; H20-V24 WeakPolarHBondContact CD2-CG2 3.31Å; V24-S26 WeakPolarHBondContact CG1-O 3.5Å; V24-T38 HydrophobicContact CG1-CG2 4.47Å; V24-H280 PolarHBondContact O-CE1 2.81Å; V24-H280 PolarHBondContact O-ND1 3.46Å; V24-H280 PolarHBondContact O-NE2 3.41Å |
| 25 | N | 88.5 | Confident | 84.1 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -36 | -179.4 | -76.3 | -70.1 | 0 | 0 | 0 | 112.4 | G39 E41 V66 K67 | N25-G39 PolarHBondContact N-O 3.47Å; N25-E41 VanDerWaalsContact ND2-CG 3.33Å; N25-E41 WeakPolarHBondContact ND2-CG 3.43Å; N25-V66 VanDerWaalsContact CB-O 3.3Å; N25-V66 WeakPolarHBondContact CB-O 3.39Å; N25-V66 PolarHBondContact ND2-O 2.91Å; N25-V66 VanDerWaalsContact ND2-O 3.14Å; N25-K67 PolarHBondContact OD1-NZ 2.95Å |
| 26 | S | 89 | Confident | 85.2 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.6 | -171.8 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | V24 T38 G39 K67 C69 | V24-S26 WeakPolarHBondContact CG1-O 3.5Å; S26-T38 CarbonylContact O-C 3.55Å; S26-T38 WeakPolarHBondContact O-CA 3.32Å; S26-G39 PolarHBondContact O-N 2.9Å; S26-K67 VanDerWaalsContact CB-O 3.3Å; S26-K67 WeakPolarHBondContact CB-O 3.37Å; S26-C69 PolarHBondContact OG-N 3.39Å |
| 27 | S | 89.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 150.9 | 175.3 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | L37 T281 S293 | S27-L37 CarbonylContact C-O 3.58Å; S27-L37 WeakPolarHBondContact CA-O 3.14Å; S27-L37 WeakPolarHBondContact CB-O 3.44Å; S27-T281 WeakPolarHBondContact O-CB 3.48Å; S27-T281 WeakPolarHBondContact O-CG2 3.49Å; S27-T281 WeakPolarHBondContact OG-CG2 3.46Å; S27-S293 WeakPolarHBondContact OG-CB 3.43Å; S27-S293 PolarHBondContact OG-OG 2.91Å |
| 28 | A | 90.6 | Very high | 87.4 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 138.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L37 | A28-L37 PolarHBondContact N-O 3.31Å; A28-L37 WeakPolarHBondContact O-CB 3.45Å; A28-L37 PolarHBondContact O-N 3.34Å |
| 29 | F | 89.7 | Confident | 88.8 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 149.9 | 170.1 | -69.9 | -79.2 | 0 | 0 | 0 | 110.5 | M35 L36 T50 F71 A283 L291 | F29-M35 WeakPolarHBondContact CA-O 3.38Å; F29-L36 HydrophobicContact CD1-CB 4.21Å; F29-L36 HydrophobicContact CD1-CD1 4.02Å; F29-L36 HydrophobicContact CD2-CD1 4.39Å; F29-L36 HydrophobicContact CE1-CB 3.99Å; F29-L36 HydrophobicContact CE1-CD1 3.74Å; F29-L36 HydrophobicContact CE1-CG 4.29Å; F29-L36 HydrophobicContact CE2-CD1 4.13Å; F29-L36 HydrophobicContact CG-CD1 4.34Å; F29-L36 HydrophobicContact CZ-CD1 3.8Å; F29-T50 HydrophobicContact CD1-CG2 4.36Å; F29-T50 HydrophobicContact CE1-CG2 3.88Å; F29-F71 WeakPolarHBondContact O-CD2 3.47Å; F29-A283 HydrophobicContact CD2-CB 3.88Å; F29-A283 HydrophobicContact CE2-CB 4.49Å; F29-L291 HydrophobicContact CD1-CD1 3.69Å; F29-L291 HydrophobicContact CD2-CB 3.97Å; F29-L291 HydrophobicContact CD2-CD1 3.76Å; F29-L291 HydrophobicContact CE1-CB 4.43Å; F29-L291 HydrophobicContact CE1-CD1 3.58Å; F29-L291 HydrophobicContact CE1-CG 4.49Å; F29-L291 HydrophobicContact CE2-CB 3.27Å; F29-L291 HydrophobicContact CE2-CD1 3.66Å; F29-L291 HydrophobicContact CE2-CG 4.08Å; F29-L291 HydrophobicContact CG-CD1 3.77Å; F29-L291 HydrophobicContact CZ-CB 3.55Å; F29-L291 HydrophobicContact CZ-CD1 3.57Å; F29-L291 HydrophobicContact CZ-CD2 4.49Å; F29-L291 HydrophobicContact CZ-CG 4.06Å |
| 30 | S | 92.1 | Very high | 89.5 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | trans | -63.7 | 156.7 | 166.2 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | D32 G33 Q34 M35 F71 | S30-D32 VanDerWaalsContact CB-OD1 3.31Å; S30-D32 WeakPolarHBondContact CB-OD1 3.45Å; S30-D32 PolarHBondContact O-N 2.99Å; S30-D32 VanDerWaalsContact O-N 3.13Å; S30-D32 PolarHBondContact OG-OD1 3.24Å; S30-G33 WeakPolarHBondContact O-CA 3.38Å; S30-G33 PolarHBondContact O-N 2.84Å; S30-Q34 PolarHBondContact OG-N 2.98Å; S30-M35 PolarHBondContact N-O 3.14Å; S30-M35 PolarHBondContact OG-N 3.03Å; S30-M35 PolarHBondContact OG-O 2.51Å; S30-F71 VanDerWaalsContact CA-CD2 3.46Å | ||
| 31 | P | 89.4 | Confident | 89.9 | Confident | 67 Ų | 67 | 37.5 Ų | 37.5 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -32.2 | 179.4 | -27.6 | 35.2 | 0 | 0 | 0 | 114.1 | S72 P73 | P31-S72 WeakPolarHBondContact CG-O 3.47Å; P31-P73 WeakPolarHBondContact CG-O 3.41Å |
| 32 | D | 87.6 | Confident | 90.6 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 48% | 0.481 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4 | 176.3 | 69.1 | -4.4 | 0 | 0 | 0 | 114.2 | S30 Q34 | S30-D32 VanDerWaalsContact CB-OD1 3.31Å; S30-D32 WeakPolarHBondContact CB-OD1 3.45Å; S30-D32 PolarHBondContact O-N 2.99Å; S30-D32 VanDerWaalsContact O-N 3.13Å; S30-D32 PolarHBondContact OG-OD1 3.24Å; D32-Q34 HydrophobicContact CB-CG 4.27Å; D32-Q34 PolarHBondContact O-N 2.64Å; D32-Q34 PolarHBondContact OD1-N 3.27Å; D32-Q34 VanDerWaalsContact OD2-CD 3.3Å; D32-Q34 WeakPolarHBondContact OD2-CG 2.99Å; D32-Q34 PolarHBondContact OD2-NE2 3.4Å |
| 33 | G | 86.1 | Confident | 91.1 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 69.6 | 2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S30 T50 | S30-G33 WeakPolarHBondContact O-CA 3.38Å; S30-G33 PolarHBondContact O-N 2.84Å; G33-T50 VanDerWaalsContact O-CB 3.24Å; G33-T50 WeakPolarHBondContact O-CB 3.22Å; G33-T50 PolarHBondContact O-OG1 3.22Å |
| 34 | Q | 89.7 | Confident | 91.7 | Very high | 128 Ų | 128 | 29.2 Ų | 29.2 | 60% | 0.598 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -78.3 | -25.6 | -175 | -62.2 | -172 | 32.3 | 0 | 0 | 113.1 | S30 D32 T50 | S30-Q34 PolarHBondContact OG-N 2.98Å; D32-Q34 HydrophobicContact CB-CG 4.27Å; D32-Q34 PolarHBondContact O-N 2.64Å; D32-Q34 PolarHBondContact OD1-N 3.27Å; D32-Q34 VanDerWaalsContact OD2-CD 3.3Å; D32-Q34 WeakPolarHBondContact OD2-CG 2.99Å; D32-Q34 PolarHBondContact OD2-NE2 3.4Å; Q34-T50 WeakPolarHBondContact O-CB 3.49Å; Q34-T50 PolarHBondContact O-N 3.25Å; Q34-T50 PolarHBondContact O-OG1 2.53Å |
| 35 | M | 92.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 17% | 0.167 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.8 | 177.5 | -62.1 | 176.3 | 73.9 | 0 | 0 | 111.8 | F29 S30 W48 T50 L56 W57 F71 V92 | F29-M35 WeakPolarHBondContact CA-O 3.38Å; S30-M35 PolarHBondContact N-O 3.14Å; S30-M35 PolarHBondContact OG-N 3.03Å; S30-M35 PolarHBondContact OG-O 2.51Å; M35-W48 CarbonylContact C-O 3.59Å; M35-W48 WeakPolarHBondContact CA-O 3.31Å; M35-T50 VanDerWaalsContact C-OG1 3.27Å; M35-T50 PolarHBondContact N-OG1 3.28Å; M35-L56 HydrophobicContact CE-CD1 3.59Å; M35-L56 HydrophobicContact CG-CD1 4.09Å; M35-L56 HydrophobicContact SD-CD1 4.37Å; M35-W57 HydrophobicContact CE-CZ2 3.9Å; M35-F71 HydrophobicContact CB-CZ 4.04Å; M35-V92 HydrophobicContact CE-CG1 4.01Å; M35-V92 HydrophobicContact SD-CG1 3.86Å |
| 36 | L | 92.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.7 | 166.9 | 174.9 | 64.7 | 0 | 0 | 0 | 108.5 | F17 F29 T38 G47 W48 | F17-L36 HydrophobicContact CD1-CD2 4.43Å; F17-L36 HydrophobicContact CD2-CD2 3.72Å; F17-L36 HydrophobicContact CE1-CD2 4.2Å; F17-L36 HydrophobicContact CE2-CD2 3.51Å; F17-L36 HydrophobicContact CG-CD2 4.19Å; F17-L36 HydrophobicContact CZ-CD2 3.76Å; F29-L36 HydrophobicContact CD1-CB 4.21Å; F29-L36 HydrophobicContact CD1-CD1 4.02Å; F29-L36 HydrophobicContact CD2-CD1 4.39Å; F29-L36 HydrophobicContact CE1-CB 3.99Å; F29-L36 HydrophobicContact CE1-CD1 3.74Å; F29-L36 HydrophobicContact CE1-CG 4.29Å; F29-L36 HydrophobicContact CE2-CD1 4.13Å; F29-L36 HydrophobicContact CG-CD1 4.34Å; F29-L36 HydrophobicContact CZ-CD1 3.8Å; L36-T38 HydrophobicContact CD2-CG2 4.18Å; L36-T38 HydrophobicContact CG-CG2 4.07Å; L36-G47 CarbonylContact O-C 3.56Å; L36-G47 WeakPolarHBondContact O-CA 3.31Å; L36-W48 HydrophobicContact CB-CB 4.27Å; L36-W48 PolarHBondContact N-O 2.83Å; L36-W48 VanDerWaalsContact O-CD1 3.25Å; L36-W48 PolarHBondContact O-N 3.23Å |
| 37 | L | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.4 | 170.5 | -167 | 65.7 | 0 | 0 | 0 | 109.1 | S27 A28 V45 Y46 W57 C69 F71 F78 | S27-L37 CarbonylContact C-O 3.58Å; S27-L37 WeakPolarHBondContact CA-O 3.14Å; S27-L37 WeakPolarHBondContact CB-O 3.44Å; A28-L37 PolarHBondContact N-O 3.31Å; A28-L37 WeakPolarHBondContact O-CB 3.45Å; A28-L37 PolarHBondContact O-N 3.34Å; L37-V45 HydrophobicContact CD1-CG1 3.33Å; L37-V45 HydrophobicContact CD2-CG1 4.43Å; L37-V45 HydrophobicContact CG-CG1 3.79Å; L37-Y46 CarbonylContact C-O 3.52Å; L37-Y46 WeakPolarHBondContact CA-O 3.39Å; L37-W57 HydrophobicContact CD1-CH2 3.38Å; L37-W57 HydrophobicContact CD1-CZ2 4.41Å; L37-W57 HydrophobicContact CD1-CZ3 3.9Å; L37-C69 HydrophobicContact CD2-CB 3.6Å; L37-C69 HydrophobicContact CG-CB 4.04Å; L37-F71 HydrophobicContact CB-CD2 4.22Å; L37-F71 HydrophobicContact CB-CE2 3.52Å; L37-F71 HydrophobicContact CB-CZ 3.96Å; L37-F71 HydrophobicContact CD1-CZ 4.48Å; L37-F71 HydrophobicContact CD2-CD2 4.43Å; L37-F71 HydrophobicContact CD2-CE2 4.35Å; L37-F71 HydrophobicContact CG-CE2 4.45Å; L37-F78 HydrophobicContact CD1-CD2 3.98Å; L37-F78 HydrophobicContact CD1-CE2 3.99Å; L37-F78 HydrophobicContact CD1-CG 4.23Å; L37-F78 HydrophobicContact CD1-CZ 4.23Å; L37-F78 HydrophobicContact CD2-CB 3.85Å; L37-F78 HydrophobicContact CD2-CD2 3.69Å; L37-F78 HydrophobicContact CD2-CE2 4.44Å; L37-F78 HydrophobicContact CD2-CG 3.91Å; L37-F78 HydrophobicContact CG-CD2 4.46Å |
| 38 | T | 93.6 | Very high | 93 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133 | 173.3 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | H20 V24 S26 L36 V45 Y46 W48 | H20-T38 PolarHBondContact NE2-OG1 3.47Å; V24-T38 HydrophobicContact CG1-CG2 4.47Å; S26-T38 CarbonylContact O-C 3.55Å; S26-T38 WeakPolarHBondContact O-CA 3.32Å; L36-T38 HydrophobicContact CD2-CG2 4.18Å; L36-T38 HydrophobicContact CG-CG2 4.07Å; T38-V45 WeakPolarHBondContact O-CA 3.24Å; T38-Y46 PolarHBondContact N-O 3.47Å; T38-Y46 PolarHBondContact O-N 2.93Å; T38-Y46 WeakPolarHBondContact OG1-CB 3.45Å; T38-W48 PolarHBondContact OG1-NE1 2.69Å |
| 39 | G | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N25 S26 | N25-G39 PolarHBondContact N-O 3.47Å; S26-G39 PolarHBondContact O-N 2.9Å |
| 40 | S | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 159.4 | -173.6 | -175.4 | 0 | 0 | 0 | 0 | 113.8 | G22 E23 D42 G43 C44 V66 | G22-S40 PolarHBondContact N-OG 3.4Å; G22-S40 PolarHBondContact O-OG 3.21Å; G22-S40 VanDerWaalsContact O-OG 3.14Å; E23-S40 CarbonylContact O-C 3.57Å; E23-S40 WeakPolarHBondContact O-CA 3.38Å; E23-S40 WeakPolarHBondContact O-CB 3.46Å; E23-S40 PolarHBondContact O-OG 3.38Å; S40-D42 VanDerWaalsContact CB-OD1 3.29Å; S40-D42 WeakPolarHBondContact CB-OD1 3.39Å; S40-D42 PolarHBondContact O-N 2.87Å; S40-D42 PolarHBondContact OG-OD1 3.36Å; S40-G43 PolarHBondContact O-N 3Å; S40-C44 PolarHBondContact N-O 2.87Å; S40-V66 PolarHBondContact O-N 3.03Å |
| 41 | E | 93.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.8 | 172.9 | -70.6 | -162.3 | 151.4 | 0 | 0 | 114.2 | E23 N25 G43 P65 | E23-E41 HydrophobicContact CB-CG 3.97Å; E23-E41 PolarHBondContact O-N 3.41Å; N25-E41 VanDerWaalsContact ND2-CG 3.33Å; N25-E41 WeakPolarHBondContact ND2-CG 3.43Å; E41-G43 PolarHBondContact O-N 2.99Å; E41-G43 VanDerWaalsContact O-N 3.09Å; E41-P65 HydrophobicContact CB-CB 4.43Å; E41-P65 HydrophobicContact CB-CG 4.47Å; E41-P65 HydrophobicContact CG-CB 4.35Å |
| 42 | D | 95.6 | Very high | 92.5 | Very high | 45 Ų | 45 | 38 Ų | 38 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 7.1 | 176.9 | 80.1 | -20.9 | 0 | 0 | 0 | 114.2 | G21 S40 C44 Y46 R58 | G21-D42 PolarHBondContact N-OD2 2.82Å; S40-D42 VanDerWaalsContact CB-OD1 3.29Å; S40-D42 WeakPolarHBondContact CB-OD1 3.39Å; S40-D42 PolarHBondContact O-N 2.87Å; S40-D42 PolarHBondContact OG-OD1 3.36Å; D42-C44 PolarHBondContact O-N 2.99Å; D42-C44 WeakPolarHBondContact OD1-CA 3.36Å; D42-C44 VanDerWaalsContact OD1-CB 3.22Å; D42-C44 WeakPolarHBondContact OD1-CB 3.29Å; D42-C44 PolarHBondContact OD1-N 3.03Å; D42-Y46 PolarHBondContact OD2-OH 2.74Å; D42-R58 IonicContact OD2-CZ 3.68Å; D42-R58 IonicContact OD2-NE 3.63Å; D42-R58 IonicContact OD2-NH2 2.68Å; D42-R58 PolarHBondContact OD2-NH2 3.48Å |
| 43 | G | 96.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 74.7 | 11.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S40 E41 H62 G64 | S40-G43 PolarHBondContact O-N 3Å; E41-G43 PolarHBondContact O-N 2.99Å; E41-G43 VanDerWaalsContact O-N 3.09Å; G43-H62 WeakPolarHBondContact O-CB 3.02Å; G43-G64 VanDerWaalsContact CA-O 3.31Å; G43-G64 WeakPolarHBondContact CA-O 3.19Å |
| 44 | C | 97.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | trans | -108.8 | 153.4 | 177.9 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | S40 D42 Y46 R58 L59 | S40-C44 PolarHBondContact N-O 2.87Å; D42-C44 PolarHBondContact O-N 2.99Å; D42-C44 WeakPolarHBondContact OD1-CA 3.36Å; D42-C44 VanDerWaalsContact OD1-CB 3.22Å; D42-C44 WeakPolarHBondContact OD1-CB 3.29Å; D42-C44 PolarHBondContact OD1-N 3.03Å; C44-Y46 HydrophobicContact CB-CD2 4.31Å; C44-Y46 HydrophobicContact CB-CE2 3.71Å; C44-R58 HydrophobicContact CB-CG 4.03Å; C44-R58 PolarHBondContact SG-NH2 3.14Å; C44-L59 VanDerWaalsContact CA-O 3.31Å; C44-L59 WeakPolarHBondContact CA-O 3.43Å | ||
| 45 | V | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.1 | 167.4 | -167.6 | 0 | 0 | 0 | 0 | 108.4 | L37 T38 W57 L59 V66 C69 F78 | L37-V45 HydrophobicContact CD1-CG1 3.33Å; L37-V45 HydrophobicContact CD2-CG1 4.43Å; L37-V45 HydrophobicContact CG-CG1 3.79Å; T38-V45 WeakPolarHBondContact O-CA 3.24Å; V45-W57 HydrophobicContact CG1-CZ3 4.32Å; V45-L59 PolarHBondContact N-O 3.36Å; V45-L59 PolarHBondContact O-N 3.14Å; V45-V66 HydrophobicContact CG2-CG1 4.17Å; V45-V66 HydrophobicContact CG2-CG2 4.09Å; V45-C69 HydrophobicContact CG1-CB 4.48Å; V45-F78 HydrophobicContact CB-CE2 4.17Å; V45-F78 HydrophobicContact CG1-CD2 4.45Å; V45-F78 HydrophobicContact CG1-CE2 3.75Å; V45-F78 HydrophobicContact CG1-CZ 4.35Å; V45-F78 HydrophobicContact CG2-CE2 4.43Å |
| 46 | Y | 96.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137 | -179.3 | -60 | -114.3 | 0 | 0 | 0 | 110 | Q19 H20 G21 L37 T38 D42 C44 W48 L55 W57 R58 | Q19-Y46 WeakPolarHBondContact O-CE1 3.28Å; Q19-Y46 PolarHBondContact O-OH 3.34Å; Q19-Y46 VanDerWaalsContact O-OH 3.14Å; H20-Y46 WeakPolarHBondContact CA-OH 3.17Å; H20-Y46 AromaticContact CD2-CD2 3.66Å; H20-Y46 AromaticContact CD2-CE2 3.78Å; G21-Y46 PolarHBondContact N-OH 3.34Å; G21-Y46 VanDerWaalsContact N-OH 3.14Å; L37-Y46 CarbonylContact C-O 3.52Å; L37-Y46 WeakPolarHBondContact CA-O 3.39Å; T38-Y46 PolarHBondContact N-O 3.47Å; T38-Y46 PolarHBondContact O-N 2.93Å; T38-Y46 WeakPolarHBondContact OG1-CB 3.45Å; D42-Y46 PolarHBondContact OD2-OH 2.74Å; C44-Y46 HydrophobicContact CB-CD2 4.31Å; C44-Y46 HydrophobicContact CB-CE2 3.71Å; Y46-W48 HydrophobicContact CD1-CH2 4.13Å; Y46-W48 AromaticContact CD1-CZ2 3.7Å; Y46-W48 HydrophobicContact CD1-CZ2 3.7Å; Y46-W48 AromaticContact CG-CZ2 3.9Å; Y46-W48 HydrophobicContact CG-CZ2 3.9Å; Y46-L55 HydrophobicContact CD1-CD1 3.76Å; Y46-L55 HydrophobicContact CD1-CD2 4.38Å; Y46-L55 HydrophobicContact CG-CD1 4.44Å; Y46-W57 WeakPolarHBondContact CA-O 3.46Å; Y46-R58 HydrophobicContact CD1-CB 4.08Å; Y46-R58 HydrophobicContact CD1-CG 4.06Å; Y46-R58 HydrophobicContact CE1-CB 4.08Å; Y46-R58 HydrophobicContact CE1-CG 3.69Å; Y46-R58 HydrophobicContact CE2-CG 4.35Å; Y46-R58 PolarHBondContact OH-NE 3.46Å |
| 47 | G | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L36 L56 W57 | L36-G47 CarbonylContact O-C 3.56Å; L36-G47 WeakPolarHBondContact O-CA 3.31Å; G47-L56 WeakPolarHBondContact O-CB 3.44Å; G47-L56 PolarHBondContact O-N 3.24Å; G47-W57 VanDerWaalsContact N-CE3 3.26Å; G47-W57 VanDerWaalsContact N-CZ3 3.35Å; G47-W57 PolarHBondContact N-O 2.91Å; G47-W57 PolarHBondContact O-N 3.45Å |
| 48 | W | 94.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.6 | -176.8 | -44.9 | 86.4 | 0 | 0 | 0 | 110.4 | F17 G18 Q19 H20 M35 L36 T38 Y46 Q54 L55 | F17-W48 HydrophobicContact CB-CD2 4.04Å; F17-W48 HydrophobicContact CB-CE3 4.17Å; F17-W48 HydrophobicContact CB-CH2 4.47Å; F17-W48 HydrophobicContact CB-CZ2 4.33Å; F17-W48 HydrophobicContact CB-CZ3 4.35Å; F17-W48 HydrophobicContact CD1-CB 3.61Å; F17-W48 AromaticContact CD1-CD2 3.55Å; F17-W48 HydrophobicContact CD1-CD2 3.55Å; F17-W48 AromaticContact CD1-CE3 3.66Å; F17-W48 HydrophobicContact CD1-CE3 3.66Å; F17-W48 AromaticContact CD1-CG 3.51Å; F17-W48 HydrophobicContact CD1-CG 3.51Å; F17-W48 HydrophobicContact CE1-CB 3.55Å; F17-W48 HydrophobicContact CE1-CD2 4.42Å; F17-W48 AromaticContact CE1-CG 3.98Å; F17-W48 HydrophobicContact CE1-CG 3.98Å; F17-W48 HydrophobicContact CG-CD2 4.17Å; F17-W48 HydrophobicContact CG-CE3 4.39Å; F17-W48 HydrophobicContact CG-CG 4.27Å; G18-W48 WeakPolarHBondContact O-CH2 3.28Å; G18-W48 WeakPolarHBondContact O-CZ3 2.99Å; Q19-W48 HydrophobicContact CB-CH2 4.39Å; H20-W48 AromaticContact CE1-CZ2 3.38Å; H20-W48 WeakPolarHBondContact CE1-CZ2 3.16Å; H20-W48 AromaticContact NE2-CZ2 3.63Å; M35-W48 CarbonylContact C-O 3.59Å; M35-W48 WeakPolarHBondContact CA-O 3.31Å; L36-W48 HydrophobicContact CB-CB 4.27Å; L36-W48 PolarHBondContact N-O 2.83Å; L36-W48 VanDerWaalsContact O-CD1 3.25Å; L36-W48 PolarHBondContact O-N 3.23Å; T38-W48 PolarHBondContact OG1-NE1 2.69Å; Y46-W48 HydrophobicContact CD1-CH2 4.13Å; Y46-W48 AromaticContact CD1-CZ2 3.7Å; Y46-W48 HydrophobicContact CD1-CZ2 3.7Å; Y46-W48 AromaticContact CG-CZ2 3.9Å; Y46-W48 HydrophobicContact CG-CZ2 3.9Å; W48-Q54 CarbonylContact C-O 3.56Å; W48-Q54 VanDerWaalsContact CA-O 3.28Å; W48-Q54 WeakPolarHBondContact CA-O 3.43Å; W48-L55 HydrophobicContact CD2-CD1 4.02Å; W48-L55 HydrophobicContact CE3-CB 3.83Å; W48-L55 HydrophobicContact CE3-CD1 3.85Å; W48-L55 HydrophobicContact CE3-CG 4.46Å; W48-L55 HydrophobicContact CH2-CB 4.28Å; W48-L55 HydrophobicContact CH2-CD1 3.68Å; W48-L55 HydrophobicContact CH2-CG 4.38Å; W48-L55 HydrophobicContact CZ2-CD1 3.88Å; W48-L55 HydrophobicContact CZ3-CB 3.58Å; W48-L55 HydrophobicContact CZ3-CD1 3.71Å; W48-L55 HydrophobicContact CZ3-CG 4.14Å |
| 49 | E | 92.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 120.8 | 164 | -168.9 | -167.5 | -125.1 | 0 | 0 | 109.2 | R51 S52 G53 Q54 L56 | E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 2.84Å; E49-S52 WeakPolarHBondContact OE2-CB 3.37Å; E49-S52 PolarHBondContact OE2-N 2.91Å; E49-S52 PolarHBondContact OE2-OG 2.96Å; E49-G53 VanDerWaalsContact O-CA 3.31Å; E49-G53 WeakPolarHBondContact O-CA 3.31Å; E49-G53 PolarHBondContact O-N 2.68Å; E49-Q54 PolarHBondContact N-O 2.84Å; E49-L56 HydrophobicContact CB-CD1 4.24Å; E49-L56 HydrophobicContact CB-CD2 4.21Å; E49-L56 HydrophobicContact CB-CG 4.33Å |
| 50 | T | 85.3 | Confident | 93.8 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -38 | -175 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | K15 F29 G33 Q34 M35 | K15-T50 WeakPolarHBondContact CD-O 3.29Å; K15-T50 WeakPolarHBondContact CE-O 3.45Å; F29-T50 HydrophobicContact CD1-CG2 4.36Å; F29-T50 HydrophobicContact CE1-CG2 3.88Å; G33-T50 VanDerWaalsContact O-CB 3.24Å; G33-T50 WeakPolarHBondContact O-CB 3.22Å; G33-T50 PolarHBondContact O-OG1 3.22Å; Q34-T50 WeakPolarHBondContact O-CB 3.49Å; Q34-T50 PolarHBondContact O-N 3.25Å; Q34-T50 PolarHBondContact O-OG1 2.53Å; M35-T50 VanDerWaalsContact C-OG1 3.27Å; M35-T50 PolarHBondContact N-OG1 3.28Å |
| 51 | R | 85.2 | Confident | 93.9 | Very high | 217 Ų | 217 | 50.1 Ų | 50.1 | 82% | 0.819 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -46.7 | -173.9 | -172.5 | -176 | -66.4 | -167.7 | 2.3 | 113.2 | K15 E49 | K15-R51 WeakPolarHBondContact CE-O 3.36Å; K15-R51 PolarHBondContact NZ-O 2.76Å; E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 2.84Å |
| 52 | S | 86.9 | Confident | 94.1 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -36 | 177.4 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | K15 E49 Q54 | K15-S52 VanDerWaalsContact NZ-C 3.34Å; K15-S52 PolarHBondContact NZ-O 3.33Å; E49-S52 WeakPolarHBondContact OE2-CB 3.37Å; E49-S52 PolarHBondContact OE2-N 2.91Å; E49-S52 PolarHBondContact OE2-OG 2.96Å; S52-Q54 WeakPolarHBondContact OG-CB 3.47Å; S52-Q54 PolarHBondContact OG-N 2.48Å |
| 53 | G | 85.8 | Confident | 94.3 | Very high | 22 Ų | 22 | 51 Ų | 51 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | trans | 88.1 | 6.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E49 | E49-G53 VanDerWaalsContact O-CA 3.31Å; E49-G53 WeakPolarHBondContact O-CA 3.31Å; E49-G53 PolarHBondContact O-N 2.68Å | ||
| 54 | Q | 91.2 | Very high | 94.3 | Very high | 122 Ų | 122 | 51.5 Ų | 51.5 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | trans | -68.5 | 136.5 | -179.5 | -175.1 | 175.7 | 20.6 | 0 | 0 | 111 | W48 E49 S52 L56 | W48-Q54 CarbonylContact C-O 3.56Å; W48-Q54 VanDerWaalsContact CA-O 3.28Å; W48-Q54 WeakPolarHBondContact CA-O 3.43Å; E49-Q54 PolarHBondContact N-O 2.84Å; S52-Q54 WeakPolarHBondContact OG-CB 3.47Å; S52-Q54 PolarHBondContact OG-N 2.48Å; Q54-L56 PolarHBondContact O-N 2.9Å | ||
| 55 | L | 94.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.3 | 167.5 | -178.6 | 62 | 0 | 0 | 0 | 108.9 | Y46 W48 W57 | Y46-L55 HydrophobicContact CD1-CD1 3.76Å; Y46-L55 HydrophobicContact CD1-CD2 4.38Å; Y46-L55 HydrophobicContact CG-CD1 4.44Å; W48-L55 HydrophobicContact CD2-CD1 4.02Å; W48-L55 HydrophobicContact CE3-CB 3.83Å; W48-L55 HydrophobicContact CE3-CD1 3.85Å; W48-L55 HydrophobicContact CE3-CG 4.46Å; W48-L55 HydrophobicContact CH2-CB 4.28Å; W48-L55 HydrophobicContact CH2-CD1 3.68Å; W48-L55 HydrophobicContact CH2-CG 4.38Å; W48-L55 HydrophobicContact CZ2-CD1 3.88Å; W48-L55 HydrophobicContact CZ3-CB 3.58Å; W48-L55 HydrophobicContact CZ3-CD1 3.71Å; W48-L55 HydrophobicContact CZ3-CG 4.14Å; L55-W57 VanDerWaalsContact CD1-O 3.32Å; L55-W57 WeakPolarHBondContact CD1-O 3.42Å |
| 56 | L | 96.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 40% | 0.403 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -44.8 | 176.6 | -60.1 | 173.9 | 0 | 0 | 0 | 110.5 | M35 G47 E49 Q54 | M35-L56 HydrophobicContact CE-CD1 3.59Å; M35-L56 HydrophobicContact CG-CD1 4.09Å; M35-L56 HydrophobicContact SD-CD1 4.37Å; G47-L56 WeakPolarHBondContact O-CB 3.44Å; G47-L56 PolarHBondContact O-N 3.24Å; E49-L56 HydrophobicContact CB-CD1 4.24Å; E49-L56 HydrophobicContact CB-CD2 4.21Å; E49-L56 HydrophobicContact CB-CG 4.33Å; Q54-L56 PolarHBondContact O-N 2.9Å |
| 57 | W | 97.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 12% | 0.117 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 154 | 179.8 | 39.9 | -102.3 | 0 | 0 | 0 | 112.4 | M35 L37 V45 Y46 G47 L55 L59 F78 A95 | M35-W57 HydrophobicContact CE-CZ2 3.9Å; L37-W57 HydrophobicContact CD1-CH2 3.38Å; L37-W57 HydrophobicContact CD1-CZ2 4.41Å; L37-W57 HydrophobicContact CD1-CZ3 3.9Å; V45-W57 HydrophobicContact CG1-CZ3 4.32Å; Y46-W57 WeakPolarHBondContact CA-O 3.46Å; G47-W57 VanDerWaalsContact N-CE3 3.26Å; G47-W57 VanDerWaalsContact N-CZ3 3.35Å; G47-W57 PolarHBondContact N-O 2.91Å; G47-W57 PolarHBondContact O-N 3.45Å; L55-W57 VanDerWaalsContact CD1-O 3.32Å; L55-W57 WeakPolarHBondContact CD1-O 3.42Å; W57-L59 HydrophobicContact CB-CD2 4.35Å; W57-L59 HydrophobicContact CD2-CD1 4.35Å; W57-L59 HydrophobicContact CD2-CG 4.23Å; W57-L59 HydrophobicContact CE3-CB 4.48Å; W57-L59 HydrophobicContact CE3-CD1 3.86Å; W57-L59 HydrophobicContact CE3-CD2 4.46Å; W57-L59 HydrophobicContact CE3-CG 3.57Å; W57-L59 HydrophobicContact CZ3-CD1 3.96Å; W57-L59 HydrophobicContact CZ3-CG 4.01Å; W57-F78 AromaticContact CH2-CD1 3.98Å; W57-F78 HydrophobicContact CH2-CD1 3.98Å; W57-F78 AromaticContact CH2-CE1 3.16Å; W57-F78 HydrophobicContact CH2-CE1 3.16Å; W57-F78 HydrophobicContact CH2-CE2 4.17Å; W57-F78 AromaticContact CH2-CZ 3.26Å; W57-F78 HydrophobicContact CH2-CZ 3.26Å; W57-F78 HydrophobicContact CZ2-CD1 4.39Å; W57-F78 AromaticContact CZ2-CE1 3.69Å; W57-F78 HydrophobicContact CZ2-CE1 3.69Å; W57-F78 HydrophobicContact CZ2-CZ 4.21Å; W57-F78 AromaticContact CZ3-CE1 3.9Å; W57-F78 HydrophobicContact CZ3-CE1 3.9Å; W57-F78 HydrophobicContact CZ3-CE2 4.4Å; W57-F78 AromaticContact CZ3-CZ 3.54Å; W57-F78 HydrophobicContact CZ3-CZ 3.54Å; W57-A95 HydrophobicContact CB-CB 4.08Å; W57-A95 HydrophobicContact CD2-CB 4.38Å; W57-A95 HydrophobicContact CG-CB 3.84Å |
| 58 | R | 97.3 | Very high | 94.4 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 51% | 0.506 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 113.2 | 169.4 | 176.9 | -177.3 | -177.3 | -109.6 | 2.8 | 108.2 | D42 C44 Y46 | D42-R58 IonicContact OD2-CZ 3.68Å; D42-R58 IonicContact OD2-NE 3.63Å; D42-R58 IonicContact OD2-NH2 2.68Å; D42-R58 PolarHBondContact OD2-NH2 3.48Å; C44-R58 HydrophobicContact CB-CG 4.03Å; C44-R58 PolarHBondContact SG-NH2 3.14Å; Y46-R58 HydrophobicContact CD1-CB 4.08Å; Y46-R58 HydrophobicContact CD1-CG 4.06Å; Y46-R58 HydrophobicContact CE1-CB 4.08Å; Y46-R58 HydrophobicContact CE1-CG 3.69Å; Y46-R58 HydrophobicContact CE2-CG 4.35Å; Y46-R58 PolarHBondContact OH-NE 3.46Å |
| 59 | L | 98.2 | Very high | 94.5 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.3 | -178.5 | -56.4 | -172.1 | 0 | 0 | 0 | 110 | C44 V45 W57 F78 W90 A95 | C44-L59 VanDerWaalsContact CA-O 3.31Å; C44-L59 WeakPolarHBondContact CA-O 3.43Å; V45-L59 PolarHBondContact N-O 3.36Å; V45-L59 PolarHBondContact O-N 3.14Å; W57-L59 HydrophobicContact CB-CD2 4.35Å; W57-L59 HydrophobicContact CD2-CD1 4.35Å; W57-L59 HydrophobicContact CD2-CG 4.23Å; W57-L59 HydrophobicContact CE3-CB 4.48Å; W57-L59 HydrophobicContact CE3-CD1 3.86Å; W57-L59 HydrophobicContact CE3-CD2 4.46Å; W57-L59 HydrophobicContact CE3-CG 3.57Å; W57-L59 HydrophobicContact CZ3-CD1 3.96Å; W57-L59 HydrophobicContact CZ3-CG 4.01Å; L59-F78 HydrophobicContact CD1-CE1 4.29Å; L59-F78 HydrophobicContact CD1-CZ 3.83Å; L59-W90 HydrophobicContact CB-CE3 4Å; L59-W90 HydrophobicContact CB-CH2 4.13Å; L59-W90 HydrophobicContact CB-CZ3 3.65Å; L59-W90 HydrophobicContact CD1-CD2 4.25Å; L59-W90 HydrophobicContact CD1-CE3 3.53Å; L59-W90 HydrophobicContact CD1-CZ3 4.02Å; L59-W90 HydrophobicContact CG-CE3 4.38Å; L59-W90 HydrophobicContact CG-CZ3 4.4Å; L59-A95 HydrophobicContact CD1-CB 4.28Å; L59-A95 HydrophobicContact CD2-CB 4.05Å; L59-A95 WeakPolarHBondContact CD2-O 3.21Å |
| 60 | G | 97.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | trans | -94.1 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W90 | G60-W90 WeakPolarHBondContact O-CH2 3.33Š| ||
| 61 | G | 97 | Very high | 95.3 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | trans | 141.7 | -25.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | R88 | G61-R88 VanDerWaalsContact C-CZ 3.5Å; G61-R88 VanDerWaalsContact O-CZ 3.23Å; G61-R88 PolarHBondContact O-NH2 3.31Å | ||
| 62 | H | 98.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 7% | 0.069 | 26% | 0.256 | C | S | . | . | trans | -68.3 | 141 | 167.5 | -76.3 | -68.6 | 0 | 0 | 0 | 110 | G43 G64 V66 S80 S82 D84 T86 | G43-H62 WeakPolarHBondContact O-CB 3.02Å; H62-G64 VanDerWaalsContact C-N 3.33Å; H62-V66 HydrophobicContact CB-CG2 4.34Å; H62-S80 PolarHBondContact NE2-OG 2.77Å; H62-S82 VanDerWaalsContact CE1-CB 3.44Å; H62-S82 WeakPolarHBondContact CE1-CB 3.25Å; H62-S82 WeakPolarHBondContact ND1-CB 3.32Å; H62-D84 WeakPolarHBondContact CA-OD2 3.19Å; H62-D84 WeakPolarHBondContact CB-OD2 3.42Å; H62-D84 IonicContact CE1-OD1 3.56Å; H62-D84 IonicContact CE1-OD2 3.92Å; H62-D84 IonicContact CG-OD2 2.94Å; H62-D84 VanDerWaalsContact ND1-CG 3.3Å; H62-D84 IonicContact ND1-OD1 3.62Å; H62-D84 PolarHBondContact ND1-OD1 3.47Å; H62-D84 VanDerWaalsContact ND1-OD1 3.17Å; H62-D84 IonicContact ND1-OD2 2.95Å; H62-D84 PolarHBondContact ND1-OD2 2.89Å; H62-T86 PolarHBondContact CE1-OG1 2.91Å; H62-T86 PolarHBondContact ND1-OG1 3.48Å | ||
| 63 | T | 98.3 | Very high | 96.3 | Very high | 132 Ų | 132 | 46 Ų | 46 | 81% | 0.81 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -94.5 | 4.6 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | D84 | T63-D84 PolarHBondContact N-OD2 2.75Å; T63-D84 WeakPolarHBondContact OG1-CB 3.46Å |
| 64 | G | 97.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -149.2 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G43 H62 V66 S82 | G43-G64 VanDerWaalsContact CA-O 3.31Å; G43-G64 WeakPolarHBondContact CA-O 3.19Å; H62-G64 VanDerWaalsContact C-N 3.33Å; G64-V66 PolarHBondContact O-N 2.98Å; G64-S82 PolarHBondContact O-OG 2.88Å |
| 65 | P | 97.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | trans | -48.9 | 134.8 | -178.7 | -33.3 | 37 | 0 | 0 | 0 | 113.7 | E41 K67 S82 C83 | E41-P65 HydrophobicContact CB-CB 4.43Å; E41-P65 HydrophobicContact CB-CG 4.47Å; E41-P65 HydrophobicContact CG-CB 4.35Å; P65-K67 HydrophobicContact CB-CD 4.28Å; P65-K67 PolarHBondContact O-N 2.82Å; P65-S82 WeakPolarHBondContact O-CA 3.31Å; P65-S82 WeakPolarHBondContact O-CB 3.33Å; P65-S82 PolarHBondContact O-OG 3.23Å; P65-C83 HydrophobicContact CB-CB 4.46Å; P65-C83 PolarHBondContact O-N 2.92Å | ||
| 66 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.4 | 167 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | N25 S40 V45 H62 G64 A81 | N25-V66 VanDerWaalsContact CB-O 3.3Å; N25-V66 WeakPolarHBondContact CB-O 3.39Å; N25-V66 PolarHBondContact ND2-O 2.91Å; N25-V66 VanDerWaalsContact ND2-O 3.14Å; S40-V66 PolarHBondContact O-N 3.03Å; V45-V66 HydrophobicContact CG2-CG1 4.17Å; V45-V66 HydrophobicContact CG2-CG2 4.09Å; H62-V66 HydrophobicContact CB-CG2 4.34Å; G64-V66 PolarHBondContact O-N 2.98Å; V66-A81 CarbonylContact C-O 3.54Å |
| 67 | K | 96.8 | Very high | 97.3 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -34.2 | -176.9 | -63.5 | -56.9 | -63.5 | 178.5 | 0 | 112.7 | N25 S26 P65 A81 C83 E109 | N25-K67 PolarHBondContact OD1-NZ 2.95Å; S26-K67 VanDerWaalsContact CB-O 3.3Å; S26-K67 WeakPolarHBondContact CB-O 3.37Å; P65-K67 HydrophobicContact CB-CD 4.28Å; P65-K67 PolarHBondContact O-N 2.82Å; K67-A81 PolarHBondContact N-O 2.87Å; K67-C83 VanDerWaalsContact CD-SG 3.57Å; K67-C83 VanDerWaalsContact CG-SG 3.55Å; K67-E109 WeakPolarHBondContact CB-OE2 3.39Å; K67-E109 WeakPolarHBondContact CE-OE2 3.4Å |
| 68 | F | 96.7 | Very high | 97.4 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148.3 | -179 | -151.6 | -95.2 | 0 | 0 | 0 | 112.1 | R70 S80 A81 E109 V111 | F68-R70 HydrophobicContact CE1-CB 4.27Å; F68-S80 CarbonylContact O-C 3.52Å; F68-S80 WeakPolarHBondContact O-CA 3.41Å; F68-A81 HydrophobicContact CB-CB 4.22Å; F68-A81 PolarHBondContact N-O 2.86Å; F68-A81 PolarHBondContact O-N 2.95Å; F68-E109 WeakPolarHBondContact CB-O 3.31Å; F68-V111 HydrophobicContact CD1-CG2 3.83Å |
| 69 | C | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.2 | 173.1 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | S26 L37 V45 A79 | S26-C69 PolarHBondContact OG-N 3.39Å; L37-C69 HydrophobicContact CD2-CB 3.6Å; L37-C69 HydrophobicContact CG-CB 4.04Å; V45-C69 HydrophobicContact CG1-CB 4.48Å; C69-A79 WeakPolarHBondContact CA-O 3.44Å |
| 70 | R | 96.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 36.3 Ų | 36.3 | 24% | 0.242 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 143.4 | -178.7 | -177.2 | 172.8 | -87.6 | 154.4 | -19.5 | 111.3 | F68 F78 A79 V111 S153 | F68-R70 HydrophobicContact CE1-CB 4.27Å; R70-F78 CarbonylContact O-C 3.59Å; R70-F78 VanDerWaalsContact O-CA 3.3Å; R70-F78 WeakPolarHBondContact O-CA 3.23Å; R70-F78 WeakPolarHBondContact O-CB 3.35Å; R70-A79 PolarHBondContact N-O 3.04Å; R70-A79 PolarHBondContact O-N 3.05Å; R70-V111 PolarHBondContact NH1-O 3.12Å; R70-S153 PolarHBondContact NH1-O 3.41Å |
| 71 | F | 97.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 152.2 | 171.4 | -72.7 | -83.1 | 0 | 0 | 0 | 111.7 | F29 S30 M35 L37 F78 V92 | F29-F71 WeakPolarHBondContact O-CD2 3.47Å; S30-F71 VanDerWaalsContact CA-CD2 3.46Å; M35-F71 HydrophobicContact CB-CZ 4.04Å; L37-F71 HydrophobicContact CB-CD2 4.22Å; L37-F71 HydrophobicContact CB-CE2 3.52Å; L37-F71 HydrophobicContact CB-CZ 3.96Å; L37-F71 HydrophobicContact CD1-CZ 4.48Å; L37-F71 HydrophobicContact CD2-CD2 4.43Å; L37-F71 HydrophobicContact CD2-CE2 4.35Å; L37-F71 HydrophobicContact CG-CE2 4.45Å; F71-F78 HydrophobicContact CD1-CB 3.98Å; F71-F78 HydrophobicContact CE1-CB 4.43Å; F71-F78 HydrophobicContact CG-CB 4.39Å; F71-V92 HydrophobicContact CD1-CG2 3.93Å; F71-V92 HydrophobicContact CE1-CG1 4.4Å; F71-V92 HydrophobicContact CE1-CG2 3.78Å |
| 72 | S | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | trans | -67.8 | 152.1 | 162.5 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | P31 D74 G75 L77 | P31-S72 WeakPolarHBondContact CG-O 3.47Å; S72-D74 VanDerWaalsContact CB-OD1 3.32Å; S72-D74 WeakPolarHBondContact CB-OD1 3.46Å; S72-D74 PolarHBondContact O-N 2.85Å; S72-D74 PolarHBondContact OG-OD1 2.94Å; S72-G75 WeakPolarHBondContact O-CA 3.4Å; S72-G75 PolarHBondContact O-N 2.9Å; S72-L77 PolarHBondContact N-O 2.9Å; S72-L77 PolarHBondContact OG-N 3.37Å; S72-L77 PolarHBondContact OG-O 2.95Å; S72-L77 VanDerWaalsContact OG-O 3.04Å | ||
| 73 | P | 95.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 41% | 0.409 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.3 | 176.3 | -30.3 | 34.7 | 0 | 0 | 0 | 114.7 | P31 G75 F113 S114 S117 | P31-P73 WeakPolarHBondContact CG-O 3.41Å; P73-G75 VanDerWaalsContact C-N 3.26Å; P73-G75 PolarHBondContact O-N 3.33Å; P73-F113 HydrophobicContact CG-CB 4.42Å; P73-S114 WeakPolarHBondContact CG-O 3.39Å; P73-S117 VanDerWaalsContact CD-OG 3.32Å; P73-S117 WeakPolarHBondContact CD-OG 3.32Å |
| 74 | D | 96.2 | Very high | 97.7 | Very high | 76 Ų | 76 | 29.6 Ų | 29.6 | 41% | 0.406 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.9 | 174.8 | 68 | 6.5 | 0 | 0 | 0 | 114 | S72 H76 S117 | S72-D74 VanDerWaalsContact CB-OD1 3.32Å; S72-D74 WeakPolarHBondContact CB-OD1 3.46Å; S72-D74 PolarHBondContact O-N 2.85Å; S72-D74 PolarHBondContact OG-OD1 2.94Å; D74-H76 PolarHBondContact O-N 3.07Å; D74-H76 PolarHBondContact OD1-N 3.25Å; D74-H76 IonicContact OD2-CD2 2.84Å; D74-S117 PolarHBondContact N-OG 3.36Å |
| 75 | G | 96.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 21% | 0.206 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 71.5 | 2.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S72 P73 V92 | S72-G75 WeakPolarHBondContact O-CA 3.4Å; S72-G75 PolarHBondContact O-N 2.9Å; P73-G75 VanDerWaalsContact C-N 3.26Å; P73-G75 PolarHBondContact O-N 3.33Å; G75-V92 WeakPolarHBondContact O-CG2 3.45Å |
| 76 | H | 97.6 | Very high | 97.8 | Very high | 129 Ų | 129 | 29.6 Ų | 29.6 | 60% | 0.597 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -81.8 | -27.6 | -177.7 | -67.5 | -43.5 | 0 | 0 | 0 | 113.2 | D74 V92 | D74-H76 PolarHBondContact O-N 3.07Å; D74-H76 PolarHBondContact OD1-N 3.25Å; D74-H76 IonicContact OD2-CD2 2.84Å; H76-V92 WeakPolarHBondContact O-CB 3.17Å; H76-V92 WeakPolarHBondContact O-CG2 3.37Å; H76-V92 PolarHBondContact O-N 2.74Å |
| 77 | L | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 14% | 0.141 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 164 | -179.3 | -58.2 | 179.1 | 0 | 0 | 0 | 111.1 | S72 W90 L98 F113 V134 | S72-L77 PolarHBondContact N-O 2.9Å; S72-L77 PolarHBondContact OG-N 3.37Å; S72-L77 PolarHBondContact OG-O 2.95Å; S72-L77 VanDerWaalsContact OG-O 3.04Å; L77-W90 VanDerWaalsContact CA-O 3.25Å; L77-W90 WeakPolarHBondContact CA-O 3.48Å; L77-W90 WeakPolarHBondContact CD2-O 3.14Å; L77-L98 HydrophobicContact CD2-CD1 3.61Å; L77-F113 HydrophobicContact CB-CZ 4.36Å; L77-V134 HydrophobicContact CD1-CG1 3.4Å |
| 78 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.4 | 157.8 | 69.4 | -89 | 0 | 0 | 0 | 110.4 | L37 V45 W57 L59 R70 F71 W90 V92 | L37-F78 HydrophobicContact CD1-CD2 3.98Å; L37-F78 HydrophobicContact CD1-CE2 3.99Å; L37-F78 HydrophobicContact CD1-CG 4.23Å; L37-F78 HydrophobicContact CD1-CZ 4.23Å; L37-F78 HydrophobicContact CD2-CB 3.85Å; L37-F78 HydrophobicContact CD2-CD2 3.69Å; L37-F78 HydrophobicContact CD2-CE2 4.44Å; L37-F78 HydrophobicContact CD2-CG 3.91Å; L37-F78 HydrophobicContact CG-CD2 4.46Å; V45-F78 HydrophobicContact CB-CE2 4.17Å; V45-F78 HydrophobicContact CG1-CD2 4.45Å; V45-F78 HydrophobicContact CG1-CE2 3.75Å; V45-F78 HydrophobicContact CG1-CZ 4.35Å; V45-F78 HydrophobicContact CG2-CE2 4.43Å; W57-F78 AromaticContact CH2-CD1 3.98Å; W57-F78 HydrophobicContact CH2-CD1 3.98Å; W57-F78 AromaticContact CH2-CE1 3.16Å; W57-F78 HydrophobicContact CH2-CE1 3.16Å; W57-F78 HydrophobicContact CH2-CE2 4.17Å; W57-F78 AromaticContact CH2-CZ 3.26Å; W57-F78 HydrophobicContact CH2-CZ 3.26Å; W57-F78 HydrophobicContact CZ2-CD1 4.39Å; W57-F78 AromaticContact CZ2-CE1 3.69Å; W57-F78 HydrophobicContact CZ2-CE1 3.69Å; W57-F78 HydrophobicContact CZ2-CZ 4.21Å; W57-F78 AromaticContact CZ3-CE1 3.9Å; W57-F78 HydrophobicContact CZ3-CE1 3.9Å; W57-F78 HydrophobicContact CZ3-CE2 4.4Å; W57-F78 AromaticContact CZ3-CZ 3.54Å; W57-F78 HydrophobicContact CZ3-CZ 3.54Å; L59-F78 HydrophobicContact CD1-CE1 4.29Å; L59-F78 HydrophobicContact CD1-CZ 3.83Å; R70-F78 CarbonylContact O-C 3.59Å; R70-F78 VanDerWaalsContact O-CA 3.3Å; R70-F78 WeakPolarHBondContact O-CA 3.23Å; R70-F78 WeakPolarHBondContact O-CB 3.35Å; F71-F78 HydrophobicContact CD1-CB 3.98Å; F71-F78 HydrophobicContact CE1-CB 4.43Å; F71-F78 HydrophobicContact CG-CB 4.39Å; F78-W90 HydrophobicContact CD1-CB 3.67Å; F78-W90 HydrophobicContact CD1-CG 4.43Å; F78-W90 HydrophobicContact CD2-CB 3.98Å; F78-W90 AromaticContact CD2-CD1 3.45Å; F78-W90 VanDerWaalsContact CD2-CD1 3.45Å; F78-W90 AromaticContact CD2-CG 3.9Å; F78-W90 HydrophobicContact CD2-CG 3.9Å; F78-W90 HydrophobicContact CE1-CB 3.28Å; F78-W90 AromaticContact CE1-CG 3.93Å; F78-W90 HydrophobicContact CE1-CG 3.93Å; F78-W90 HydrophobicContact CE2-CB 3.6Å; F78-W90 AromaticContact CE2-CD1 3.13Å; F78-W90 AromaticContact CE2-CD2 3.98Å; F78-W90 HydrophobicContact CE2-CD2 3.98Å; F78-W90 AromaticContact CE2-CG 3.3Å; F78-W90 HydrophobicContact CE2-CG 3.3Å; F78-W90 AromaticContact CE2-NE1 3.68Å; F78-W90 HydrophobicContact CG-CB 4.03Å; F78-W90 HydrophobicContact CG-CG 4.44Å; F78-W90 HydrophobicContact CZ-CB 3.26Å; F78-W90 AromaticContact CZ-CD1 3.72Å; F78-W90 AromaticContact CZ-CD2 3.93Å; F78-W90 HydrophobicContact CZ-CD2 3.93Å; F78-W90 AromaticContact CZ-CG 3.35Å; F78-W90 HydrophobicContact CZ-CG 3.35Å; F78-W90 PolarHBondContact N-O 3.38Å; F78-W90 PolarHBondContact O-N 3.09Å; F78-V92 HydrophobicContact CD1-CG2 3.77Å |
| 79 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C69 R70 V87 R88 L89 V111 F113 L120 | C69-A79 WeakPolarHBondContact CA-O 3.44Å; R70-A79 PolarHBondContact N-O 3.04Å; R70-A79 PolarHBondContact O-N 3.05Å; A79-V87 HydrophobicContact CB-CG1 4.4Å; A79-R88 CarbonylContact C-O 3.37Å; A79-R88 VanDerWaalsContact CA-O 3.25Å; A79-R88 WeakPolarHBondContact CA-O 3.32Å; A79-L89 HydrophobicContact CB-CD2 3.95Å; A79-V111 HydrophobicContact CB-CB 4.26Å; A79-V111 HydrophobicContact CB-CG2 3.98Å; A79-F113 HydrophobicContact CB-CE2 3.65Å; A79-F113 HydrophobicContact CB-CZ 3.83Å; A79-L120 HydrophobicContact CB-CD1 3.8Å; A79-L120 HydrophobicContact CB-CD2 4.07Å |
| 80 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.3 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | H62 F68 V87 R88 W90 | H62-S80 PolarHBondContact NE2-OG 2.77Å; F68-S80 CarbonylContact O-C 3.52Å; F68-S80 WeakPolarHBondContact O-CA 3.41Å; S80-V87 CarbonylContact O-C 3.6Å; S80-V87 VanDerWaalsContact O-CA 3.23Å; S80-V87 WeakPolarHBondContact O-CA 3.33Å; S80-V87 WeakPolarHBondContact O-CG1 3.34Å; S80-R88 PolarHBondContact N-O 3.08Å; S80-R88 PolarHBondContact O-N 3.04Å; S80-W90 PolarHBondContact OG-NE1 3.28Å |
| 81 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V66 K67 F68 V87 V108 V111 | V66-A81 CarbonylContact C-O 3.54Å; K67-A81 PolarHBondContact N-O 2.87Å; F68-A81 HydrophobicContact CB-CB 4.22Å; F68-A81 PolarHBondContact N-O 2.86Å; F68-A81 PolarHBondContact O-N 2.95Å; A81-V87 HydrophobicContact CB-CG2 4.37Å; A81-V108 HydrophobicContact CB-CB 3.82Å; A81-V108 HydrophobicContact CB-CG1 3.63Å; A81-V111 HydrophobicContact CB-CG1 3.77Å; A81-V111 HydrophobicContact CB-CG2 4.47Å |
| 82 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.7 | -169.5 | 175.2 | 0 | 0 | 0 | 0 | 114 | H62 G64 P65 D84 C85 T86 V108 | H62-S82 VanDerWaalsContact CE1-CB 3.44Å; H62-S82 WeakPolarHBondContact CE1-CB 3.25Å; H62-S82 WeakPolarHBondContact ND1-CB 3.32Å; G64-S82 PolarHBondContact O-OG 2.88Å; P65-S82 WeakPolarHBondContact O-CA 3.31Å; P65-S82 WeakPolarHBondContact O-CB 3.33Å; P65-S82 PolarHBondContact O-OG 3.23Å; S82-D84 VanDerWaalsContact CB-OD1 3.3Å; S82-D84 WeakPolarHBondContact CB-OD1 3.44Å; S82-D84 PolarHBondContact O-N 2.7Å; S82-D84 PolarHBondContact OG-N 3.27Å; S82-D84 VanDerWaalsContact OG-N 3.1Å; S82-D84 PolarHBondContact OG-OD1 3.04Å; S82-C85 PolarHBondContact O-N 3.43Å; S82-T86 PolarHBondContact N-O 3.02Å; S82-V108 PolarHBondContact N-O 2.99Å; S82-V108 PolarHBondContact O-N 2.77Å |
| 83 | C | 98.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 29.9 Ų | 29.9 | 35% | 0.345 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.8 | 166.7 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | P65 K67 C85 S107 | P65-C83 HydrophobicContact CB-CB 4.46Å; P65-C83 PolarHBondContact O-N 2.92Å; K67-C83 VanDerWaalsContact CD-SG 3.57Å; K67-C83 VanDerWaalsContact CG-SG 3.55Å; C83-C85 PolarHBondContact O-N 3.13Å; C83-C85 VanDerWaalsContact O-N 3.11Å; C83-S107 WeakPolarHBondContact CA-OG 3.35Å; C83-S107 PolarHBondContact SG-OG 2.76Å |
| 84 | D | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 9.6 | 173.5 | 75.1 | 7.1 | 0 | 0 | 0 | 114.3 | H62 T63 S82 T86 | H62-D84 WeakPolarHBondContact CA-OD2 3.19Å; H62-D84 WeakPolarHBondContact CB-OD2 3.42Å; H62-D84 IonicContact CE1-OD1 3.56Å; H62-D84 IonicContact CE1-OD2 3.92Å; H62-D84 IonicContact CG-OD2 2.94Å; H62-D84 VanDerWaalsContact ND1-CG 3.3Å; H62-D84 IonicContact ND1-OD1 3.62Å; H62-D84 PolarHBondContact ND1-OD1 3.47Å; H62-D84 VanDerWaalsContact ND1-OD1 3.17Å; H62-D84 IonicContact ND1-OD2 2.95Å; H62-D84 PolarHBondContact ND1-OD2 2.89Å; T63-D84 PolarHBondContact N-OD2 2.75Å; T63-D84 WeakPolarHBondContact OG1-CB 3.46Å; S82-D84 VanDerWaalsContact CB-OD1 3.3Å; S82-D84 WeakPolarHBondContact CB-OD1 3.44Å; S82-D84 PolarHBondContact O-N 2.7Å; S82-D84 PolarHBondContact OG-N 3.27Å; S82-D84 VanDerWaalsContact OG-N 3.1Å; S82-D84 PolarHBondContact OG-OD1 3.04Å; D84-T86 PolarHBondContact O-N 3.12Å; D84-T86 WeakPolarHBondContact OD1-CB 3.31Å; D84-T86 PolarHBondContact OD1-N 2.84Å; D84-T86 PolarHBondContact OD1-OG1 3.15Å; D84-T86 PolarHBondContact OD2-OG1 3.02Å |
| 85 | C | 98.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 66.6 | 16.2 | 178.4 | -48.4 | 0 | 0 | 0 | 0 | 113.8 | S82 C83 R106 | S82-C85 PolarHBondContact O-N 3.43Å; C83-C85 PolarHBondContact O-N 3.13Å; C83-C85 VanDerWaalsContact O-N 3.11Å; C85-R106 WeakPolarHBondContact SG-CA 3.19Å; C85-R106 PolarHBondContact SG-O 3.05Å |
| 86 | T | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 155.5 | 177.8 | 74.3 | 0 | 0 | 0 | 0 | 112.6 | H62 S82 D84 V100 K102 | H62-T86 PolarHBondContact CE1-OG1 2.91Å; H62-T86 PolarHBondContact ND1-OG1 3.48Å; S82-T86 PolarHBondContact N-O 3.02Å; D84-T86 PolarHBondContact O-N 3.12Å; D84-T86 WeakPolarHBondContact OD1-CB 3.31Å; D84-T86 PolarHBondContact OD1-N 2.84Å; D84-T86 PolarHBondContact OD1-OG1 3.15Å; D84-T86 PolarHBondContact OD2-OG1 3.02Å; T86-V100 HydrophobicContact CG2-CG1 4.05Å; T86-K102 HydrophobicContact CG2-CG 4.22Å |
| 87 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.6 | 161.8 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | A79 S80 A81 L101 V108 V111 L120 | A79-V87 HydrophobicContact CB-CG1 4.4Å; S80-V87 CarbonylContact O-C 3.6Å; S80-V87 VanDerWaalsContact O-CA 3.23Å; S80-V87 WeakPolarHBondContact O-CA 3.33Å; S80-V87 WeakPolarHBondContact O-CG1 3.34Å; A81-V87 HydrophobicContact CB-CG2 4.37Å; V87-L101 HydrophobicContact CB-CB 4.14Å; V87-L101 HydrophobicContact CB-CD1 4.21Å; V87-L101 HydrophobicContact CB-CG 4.45Å; V87-L101 HydrophobicContact CG1-CD1 4.04Å; V87-L101 PolarHBondContact N-O 3.09Å; V87-L101 VanDerWaalsContact N-O 3.12Å; V87-L101 WeakPolarHBondContact O-CB 2.97Å; V87-L101 PolarHBondContact O-N 3.32Å; V87-V108 HydrophobicContact CG2-CB 4.35Å; V87-V108 HydrophobicContact CG2-CG1 3.75Å; V87-V108 HydrophobicContact CG2-CG2 4.31Å; V87-V111 HydrophobicContact CG1-CG1 3.79Å; V87-V111 HydrophobicContact CG2-CG1 3.87Å; V87-L120 HydrophobicContact CG1-CD2 3.63Å |
| 88 | R | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137 | 174.5 | -69.1 | 179 | 175.4 | -104.3 | -1.9 | 110.4 | G61 A79 S80 W90 C97 R99 V100 | G61-R88 VanDerWaalsContact C-CZ 3.5Å; G61-R88 VanDerWaalsContact O-CZ 3.23Å; G61-R88 PolarHBondContact O-NH2 3.31Å; A79-R88 CarbonylContact C-O 3.37Å; A79-R88 VanDerWaalsContact CA-O 3.25Å; A79-R88 WeakPolarHBondContact CA-O 3.32Å; S80-R88 PolarHBondContact N-O 3.08Å; S80-R88 PolarHBondContact O-N 3.04Å; R88-W90 HydrophobicContact CB-CZ2 3.64Å; R88-W90 VanDerWaalsContact CB-NE1 3.33Å; R88-W90 VanDerWaalsContact CD-CZ2 3.42Å; R88-W90 HydrophobicContact CG-CZ2 4.18Å; R88-W90 VanDerWaalsContact O-CD1 3.3Å; R88-W90 PolarHBondContact O-NE1 2.87Å; R88-C97 PolarHBondContact NH1-SG 3.02Å; R88-R99 WeakPolarHBondContact CA-O 3.41Å; R88-V100 HydrophobicContact CG-CG1 4.31Å; R88-V100 HydrophobicContact CG-CG2 4.22Å |
| 89 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.1 | 171.8 | -73.2 | 171.5 | 0 | 0 | 0 | 109.2 | A79 L98 R99 L101 F113 L120 V134 | A79-L89 HydrophobicContact CB-CD2 3.95Å; L89-L98 PolarHBondContact O-N 3.37Å; L89-R99 HydrophobicContact CB-CB 4.23Å; L89-R99 HydrophobicContact CD1-CB 4.43Å; L89-R99 PolarHBondContact N-O 2.85Å; L89-R99 PolarHBondContact O-N 2.89Å; L89-L101 HydrophobicContact CD1-CD1 4.1Å; L89-L101 HydrophobicContact CD1-CD2 4.36Å; L89-L101 HydrophobicContact CG-CD1 4.24Å; L89-F113 HydrophobicContact CD2-CE1 3.93Å; L89-F113 HydrophobicContact CD2-CZ 3.62Å; L89-L120 HydrophobicContact CD2-CD2 4.07Å; L89-V134 HydrophobicContact CD1-CG1 4.23Å |
| 90 | W | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.7 | -171.3 | -50.6 | 84.9 | 0 | 0 | 0 | 110.6 | L59 G60 L77 F78 S80 R88 K96 C97 | L59-W90 HydrophobicContact CB-CE3 4Å; L59-W90 HydrophobicContact CB-CH2 4.13Å; L59-W90 HydrophobicContact CB-CZ3 3.65Å; L59-W90 HydrophobicContact CD1-CD2 4.25Å; L59-W90 HydrophobicContact CD1-CE3 3.53Å; L59-W90 HydrophobicContact CD1-CZ3 4.02Å; L59-W90 HydrophobicContact CG-CE3 4.38Å; L59-W90 HydrophobicContact CG-CZ3 4.4Å; G60-W90 WeakPolarHBondContact O-CH2 3.33Å; L77-W90 VanDerWaalsContact CA-O 3.25Å; L77-W90 WeakPolarHBondContact CA-O 3.48Å; L77-W90 WeakPolarHBondContact CD2-O 3.14Å; F78-W90 HydrophobicContact CD1-CB 3.67Å; F78-W90 HydrophobicContact CD1-CG 4.43Å; F78-W90 HydrophobicContact CD2-CB 3.98Å; F78-W90 AromaticContact CD2-CD1 3.45Å; F78-W90 VanDerWaalsContact CD2-CD1 3.45Å; F78-W90 AromaticContact CD2-CG 3.9Å; F78-W90 HydrophobicContact CD2-CG 3.9Å; F78-W90 HydrophobicContact CE1-CB 3.28Å; F78-W90 AromaticContact CE1-CG 3.93Å; F78-W90 HydrophobicContact CE1-CG 3.93Å; F78-W90 HydrophobicContact CE2-CB 3.6Å; F78-W90 AromaticContact CE2-CD1 3.13Å; F78-W90 AromaticContact CE2-CD2 3.98Å; F78-W90 HydrophobicContact CE2-CD2 3.98Å; F78-W90 AromaticContact CE2-CG 3.3Å; F78-W90 HydrophobicContact CE2-CG 3.3Å; F78-W90 AromaticContact CE2-NE1 3.68Å; F78-W90 HydrophobicContact CG-CB 4.03Å; F78-W90 HydrophobicContact CG-CG 4.44Å; F78-W90 HydrophobicContact CZ-CB 3.26Å; F78-W90 AromaticContact CZ-CD1 3.72Å; F78-W90 AromaticContact CZ-CD2 3.93Å; F78-W90 HydrophobicContact CZ-CD2 3.93Å; F78-W90 AromaticContact CZ-CG 3.35Å; F78-W90 HydrophobicContact CZ-CG 3.35Å; F78-W90 PolarHBondContact N-O 3.38Å; F78-W90 PolarHBondContact O-N 3.09Å; S80-W90 PolarHBondContact OG-NE1 3.28Å; R88-W90 HydrophobicContact CB-CZ2 3.64Å; R88-W90 VanDerWaalsContact CB-NE1 3.33Å; R88-W90 VanDerWaalsContact CD-CZ2 3.42Å; R88-W90 HydrophobicContact CG-CZ2 4.18Å; R88-W90 VanDerWaalsContact O-CD1 3.3Å; R88-W90 PolarHBondContact O-NE1 2.87Å; W90-K96 VanDerWaalsContact CA-O 3.32Å; W90-K96 WeakPolarHBondContact CA-O 3.3Å; W90-C97 HydrophobicContact CD2-CB 4.29Å; W90-C97 VanDerWaalsContact CE3-CA 3.43Å; W90-C97 HydrophobicContact CE3-CB 3.6Å; W90-C97 HydrophobicContact CH2-CB 4.07Å; W90-C97 HydrophobicContact CZ3-CB 3.47Å; W90-C97 VanDerWaalsContact CZ3-CB 3.47Å |
| 91 | D | 98.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.4 | 170 | -172.4 | -67.8 | 0 | 0 | 0 | 109.5 | A93 R94 A95 K96 L98 | D91-A93 PolarHBondContact OD1-N 2.94Å; D91-R94 HydrophobicContact CB-CB 4.11Å; D91-R94 WeakPolarHBondContact OD1-CB 3.41Å; D91-R94 WeakPolarHBondContact OD1-CG 3.25Å; D91-R94 PolarHBondContact OD1-N 3.5Å; D91-R94 IonicContact OD2-CZ 3.75Å; D91-R94 IonicContact OD2-NH1 2.69Å; D91-R94 PolarHBondContact OD2-NH1 2.91Å; D91-A95 VanDerWaalsContact O-CA 3.29Å; D91-A95 WeakPolarHBondContact O-CA 3.34Å; D91-A95 PolarHBondContact O-N 2.93Å; D91-K96 PolarHBondContact N-O 3.31Å; D91-K96 PolarHBondContact O-N 3.23Å; D91-L98 HydrophobicContact CB-CD1 3.98Å; D91-L98 HydrophobicContact CB-CD2 3.99Å; D91-L98 HydrophobicContact CB-CG 3.95Å |
| 92 | V | 97.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -45.9 | -177.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | M35 F71 G75 H76 F78 | M35-V92 HydrophobicContact CE-CG1 4.01Å; M35-V92 HydrophobicContact SD-CG1 3.86Å; F71-V92 HydrophobicContact CD1-CG2 3.93Å; F71-V92 HydrophobicContact CE1-CG1 4.4Å; F71-V92 HydrophobicContact CE1-CG2 3.78Å; G75-V92 WeakPolarHBondContact O-CG2 3.45Å; H76-V92 WeakPolarHBondContact O-CB 3.17Å; H76-V92 WeakPolarHBondContact O-CG2 3.37Å; H76-V92 PolarHBondContact O-N 2.74Å; F78-V92 HydrophobicContact CD1-CG2 3.77Å |
| 93 | A | 96.9 | Very high | 98.2 | Very high | 98 Ų | 98 | 53.5 Ų | 53.5 | 81% | 0.81 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -38.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D91 | D91-A93 PolarHBondContact OD1-N 2.94Š|
| 94 | R | 97.5 | Very high | 98.2 | Very high | 173 Ų | 173 | 51.5 Ų | 51.5 | 65% | 0.653 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.9 | -179.4 | -60.9 | 176.9 | 176.8 | 101 | -0.3 | 112.7 | D91 K96 | D91-R94 HydrophobicContact CB-CB 4.11Å; D91-R94 WeakPolarHBondContact OD1-CB 3.41Å; D91-R94 WeakPolarHBondContact OD1-CG 3.25Å; D91-R94 PolarHBondContact OD1-N 3.5Å; D91-R94 IonicContact OD2-CZ 3.75Å; D91-R94 IonicContact OD2-NH1 2.69Å; D91-R94 PolarHBondContact OD2-NH1 2.91Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 HydrophobicContact CB-CB 4.4Å; R94-K96 WeakPolarHBondContact O-CG 3.39Å; R94-K96 PolarHBondContact O-N 2.89Å |
| 95 | A | 97.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 50.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W57 L59 D91 | W57-A95 HydrophobicContact CB-CB 4.08Å; W57-A95 HydrophobicContact CD2-CB 4.38Å; W57-A95 HydrophobicContact CG-CB 3.84Å; L59-A95 HydrophobicContact CD1-CB 4.28Å; L59-A95 HydrophobicContact CD2-CB 4.05Å; L59-A95 WeakPolarHBondContact CD2-O 3.21Å; D91-A95 VanDerWaalsContact O-CA 3.29Å; D91-A95 WeakPolarHBondContact O-CA 3.34Å; D91-A95 PolarHBondContact O-N 2.93Å |
| 96 | K | 97.6 | Very high | 98.1 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.4 | -174.7 | -79.6 | 177.9 | -176.2 | -176.3 | 0 | 112.3 | W90 D91 R94 L98 | W90-K96 VanDerWaalsContact CA-O 3.32Å; W90-K96 WeakPolarHBondContact CA-O 3.3Å; D91-K96 PolarHBondContact N-O 3.31Å; D91-K96 PolarHBondContact O-N 3.23Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 HydrophobicContact CB-CB 4.4Å; R94-K96 WeakPolarHBondContact O-CG 3.39Å; R94-K96 PolarHBondContact O-N 2.89Å; K96-L98 PolarHBondContact O-N 3.27Å |
| 97 | C | 98.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 60.3 Ų | 60.3 | 32% | 0.324 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.9 | 171.1 | -166.2 | 0 | 0 | 0 | 0 | 109 | R88 W90 R99 | R88-C97 PolarHBondContact NH1-SG 3.02Å; W90-C97 HydrophobicContact CD2-CB 4.29Å; W90-C97 VanDerWaalsContact CE3-CA 3.43Å; W90-C97 HydrophobicContact CE3-CB 3.6Å; W90-C97 HydrophobicContact CH2-CB 4.07Å; W90-C97 HydrophobicContact CZ3-CB 3.47Å; W90-C97 VanDerWaalsContact CZ3-CB 3.47Å; C97-R99 PolarHBondContact SG-O 3.41Å; C97-R99 VanDerWaalsContact SG-O 3.41Å |
| 98 | L | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -39.6 | 175.9 | -63.3 | -176.6 | 0 | 0 | 0 | 111.8 | L77 L89 D91 K96 | L77-L98 HydrophobicContact CD2-CD1 3.61Å; L89-L98 PolarHBondContact O-N 3.37Å; D91-L98 HydrophobicContact CB-CD1 3.98Å; D91-L98 HydrophobicContact CB-CD2 3.99Å; D91-L98 HydrophobicContact CB-CG 3.95Å; K96-L98 PolarHBondContact O-N 3.27Å |
| 99 | R | 98.2 | Very high | 98.1 | Very high | 103 Ų | 103 | 59.1 Ų | 59.1 | 39% | 0.389 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.9 | -175.1 | -57.3 | -69.8 | -177.6 | -91.9 | -5.2 | 111.4 | R88 L89 C97 L101 Q135 | R88-R99 WeakPolarHBondContact CA-O 3.41Å; L89-R99 HydrophobicContact CB-CB 4.23Å; L89-R99 HydrophobicContact CD1-CB 4.43Å; L89-R99 PolarHBondContact N-O 2.85Å; L89-R99 PolarHBondContact O-N 2.89Å; C97-R99 PolarHBondContact SG-O 3.41Å; C97-R99 VanDerWaalsContact SG-O 3.41Å; R99-L101 HydrophobicContact CB-CD2 3.99Å; R99-Q135 PolarHBondContact NH2-O 3.04Å; R99-Q135 VanDerWaalsContact NH2-O 3.12Å |
| 100 | V | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 59 Ų | 59 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 108 | 166.8 | -173.5 | 0 | 0 | 0 | 0 | 107 | T86 R88 K102 | T86-V100 HydrophobicContact CG2-CG1 4.05Å; R88-V100 HydrophobicContact CG-CG1 4.31Å; R88-V100 HydrophobicContact CG-CG2 4.22Å; V100-K102 HydrophobicContact CG1-CG 4.29Å |
| 101 | L | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.1 | -179.6 | -45.7 | -178.4 | 0 | 0 | 0 | 108.2 | V87 L89 R99 L120 W132 G137 | V87-L101 HydrophobicContact CB-CB 4.14Å; V87-L101 HydrophobicContact CB-CD1 4.21Å; V87-L101 HydrophobicContact CB-CG 4.45Å; V87-L101 HydrophobicContact CG1-CD1 4.04Å; V87-L101 PolarHBondContact N-O 3.09Å; V87-L101 VanDerWaalsContact N-O 3.12Å; V87-L101 WeakPolarHBondContact O-CB 2.97Å; V87-L101 PolarHBondContact O-N 3.32Å; L89-L101 HydrophobicContact CD1-CD1 4.1Å; L89-L101 HydrophobicContact CD1-CD2 4.36Å; L89-L101 HydrophobicContact CG-CD1 4.24Å; R99-L101 HydrophobicContact CB-CD2 3.99Å; L101-L120 HydrophobicContact CD1-CD2 3.81Å; L101-W132 HydrophobicContact CB-CD2 4.14Å; L101-W132 HydrophobicContact CB-CE3 3.95Å; L101-W132 HydrophobicContact CB-CH2 4.18Å; L101-W132 HydrophobicContact CB-CZ2 4.34Å; L101-W132 HydrophobicContact CB-CZ3 3.97Å; L101-W132 HydrophobicContact CD1-CB 4.06Å; L101-W132 HydrophobicContact CD1-CD2 3.88Å; L101-W132 HydrophobicContact CD1-CE3 4.26Å; L101-W132 HydrophobicContact CD1-CG 3.77Å; L101-W132 HydrophobicContact CD2-CE3 4.41Å; L101-W132 HydrophobicContact CG-CD2 4.5Å; L101-W132 HydrophobicContact CG-CE3 4.43Å; L101-G137 WeakPolarHBondContact CD2-O 3.08Å |
| 102 | K | 98.3 | Very high | 98 | Very high | 162 Ų | 162 | 58.1 Ų | 58.1 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141 | -179.2 | -64.2 | -176.9 | 177.9 | -177.4 | 0 | 109.5 | T86 V100 W132 | T86-K102 HydrophobicContact CG2-CG 4.22Å; V100-K102 HydrophobicContact CG1-CG 4.29Å; K102-W132 WeakPolarHBondContact O-CH2 3.32Å |
| 103 | G | 97.1 | Very high | 98 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | trans | 163.8 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q105 M130 | G103-Q105 PolarHBondContact O-NE2 2.91Å; G103-Q105 VanDerWaalsContact O-NE2 3.1Å; G103-M130 WeakPolarHBondContact O-CE 3.41Å | ||
| 104 | H | 98.2 | Very high | 98 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | trans | -61.1 | 145.3 | 173 | -78 | -71.3 | 0 | 0 | 0 | 111.6 | V108 S122 D126 R128 | H104-V108 HydrophobicContact CB-CG2 3.78Å; H104-S122 PolarHBondContact NE2-OG 2.8Å; H104-D126 VanDerWaalsContact CA-OD2 3.23Å; H104-D126 WeakPolarHBondContact CA-OD2 3.32Å; H104-D126 WeakPolarHBondContact CB-OD2 3.21Å; H104-D126 IonicContact CE1-OD1 3.42Å; H104-D126 IonicContact CE1-OD2 3.49Å; H104-D126 IonicContact CG-OD2 3.35Å; H104-D126 IonicContact ND1-OD1 3.34Å; H104-D126 PolarHBondContact ND1-OD1 2.84Å; H104-D126 IonicContact ND1-OD2 2.78Å; H104-D126 PolarHBondContact ND1-OD2 3.25Å; H104-R128 PolarHBondContact CE1-O 2.92Å | ||
| 105 | Q | 98.1 | Very high | 97.9 | Very high | 134 Ų | 134 | 48.3 Ų | 48.3 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -104.2 | -8.3 | -176 | -59.5 | -59.4 | -35.7 | 0 | 0 | 113.1 | G103 D126 | G103-Q105 PolarHBondContact O-NE2 2.91Å; G103-Q105 VanDerWaalsContact O-NE2 3.1Å; Q105-D126 HydrophobicContact CB-CB 4.2Å; Q105-D126 PolarHBondContact N-OD2 3.28Å |
| 106 | R | 98.5 | Very high | 97.8 | Very high | 121 Ų | 121 | 51.2 Ų | 51.2 | 46% | 0.457 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -145 | 179.6 | 177.7 | -58.6 | -172 | 75.7 | -162.2 | 8.7 | 109.1 | C85 V108 W125 D126 | C85-R106 WeakPolarHBondContact SG-CA 3.19Å; C85-R106 PolarHBondContact SG-O 3.05Å; R106-V108 PolarHBondContact O-N 3.4Å; R106-W125 HydrophobicContact CB-CB 3.69Å; R106-W125 WeakPolarHBondContact CD-O 3.37Å; R106-W125 PolarHBondContact NH1-O 3.16Å; R106-D126 HydrophobicContact CB-CB 4.13Å; R106-D126 HydrophobicContact CG-CB 4.2Å |
| 107 | S | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -44.8 | 130.5 | 178 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | C83 E109 G124 W125 | C83-S107 WeakPolarHBondContact CA-OG 3.35Å; C83-S107 PolarHBondContact SG-OG 2.76Å; S107-E109 VanDerWaalsContact CB-OE1 3.28Å; S107-E109 WeakPolarHBondContact CB-OE1 3.35Å; S107-E109 PolarHBondContact OG-OE1 3.2Å; S107-G124 CarbonylContact O-C 3.48Å; S107-G124 VanDerWaalsContact O-CA 3.28Å; S107-G124 WeakPolarHBondContact O-CA 3.3Å; S107-W125 PolarHBondContact O-N 2.58Å | ||
| 108 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.7 | 172.6 | -165.2 | 0 | 0 | 0 | 0 | 108 | A81 S82 V87 H104 R106 G123 | A81-V108 HydrophobicContact CB-CB 3.82Å; A81-V108 HydrophobicContact CB-CG1 3.63Å; S82-V108 PolarHBondContact N-O 2.99Å; S82-V108 PolarHBondContact O-N 2.77Å; V87-V108 HydrophobicContact CG2-CB 4.35Å; V87-V108 HydrophobicContact CG2-CG1 3.75Å; V87-V108 HydrophobicContact CG2-CG2 4.31Å; H104-V108 HydrophobicContact CB-CG2 3.78Å; R106-V108 PolarHBondContact O-N 3.4Å; V108-G123 WeakPolarHBondContact CG1-O 3.36Å |
| 109 | E | 98.2 | Very high | 97.7 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -14.5 | -170.8 | -62.4 | -61.4 | 155 | 0 | 0 | 113 | K67 F68 S107 G123 W125 | K67-E109 WeakPolarHBondContact CB-OE2 3.39Å; K67-E109 WeakPolarHBondContact CE-OE2 3.4Å; F68-E109 WeakPolarHBondContact CB-O 3.31Å; S107-E109 VanDerWaalsContact CB-OE1 3.28Å; S107-E109 WeakPolarHBondContact CB-OE1 3.35Å; S107-E109 PolarHBondContact OG-OE1 3.2Å; E109-G123 PolarHBondContact N-O 2.9Å; E109-W125 PolarHBondContact OE1-NE1 2.8Å; E109-W125 VanDerWaalsContact OE1-NE1 3.11Å |
| 110 | T | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.8 | -178.6 | -161.3 | 0 | 0 | 0 | 0 | 112.7 | S122 G123 I150 Q151 S152 S153 | T110-S122 VanDerWaalsContact O-CA 3.31Å; T110-S122 WeakPolarHBondContact O-CA 3.32Å; T110-G123 PolarHBondContact N-O 3.27Å; T110-G123 VanDerWaalsContact N-O 3.1Å; T110-G123 PolarHBondContact O-N 3.24Å; T110-I150 HydrophobicContact CG2-CG2 3.95Å; T110-Q151 WeakPolarHBondContact CB-O 3.44Å; T110-S152 WeakPolarHBondContact OG1-CA 3.43Å; T110-S153 PolarHBondContact OG1-N 3.05Å; T110-S153 VanDerWaalsContact OG1-N 3.08Å |
| 111 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.8 | 168.9 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | F68 R70 A79 A81 V87 L120 A121 | F68-V111 HydrophobicContact CD1-CG2 3.83Å; R70-V111 PolarHBondContact NH1-O 3.12Å; A79-V111 HydrophobicContact CB-CB 4.26Å; A79-V111 HydrophobicContact CB-CG2 3.98Å; A81-V111 HydrophobicContact CB-CG1 3.77Å; A81-V111 HydrophobicContact CB-CG2 4.47Å; V87-V111 HydrophobicContact CG1-CG1 3.79Å; V87-V111 HydrophobicContact CG2-CG1 3.87Å; V111-L120 HydrophobicContact CB-CD1 4.38Å; V111-L120 HydrophobicContact CG1-CD2 4.46Å; V111-A121 VanDerWaalsContact CA-O 3.24Å; V111-A121 WeakPolarHBondContact CA-O 3.5Å |
| 112 | S | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.9 | 171.8 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | L120 A121 S153 F155 | S112-L120 CarbonylContact O-C 3.49Å; S112-L120 WeakPolarHBondContact O-CA 3.43Å; S112-L120 WeakPolarHBondContact O-CD1 3.48Å; S112-A121 PolarHBondContact N-O 3.31Å; S112-A121 PolarHBondContact O-N 2.78Å; S112-S153 WeakPolarHBondContact OG-CB 3.43Å; S112-S153 PolarHBondContact OG-OG 2.85Å; S112-F155 VanDerWaalsContact O-CE2 3.32Å; S112-F155 WeakPolarHBondContact O-CE2 3.37Å |
| 113 | F | 98 | Very high | 97.7 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147.5 | 172.8 | -77.8 | -88.1 | 0 | 0 | 0 | 110 | P73 L77 A79 L89 Q119 L120 V134 F155 | P73-F113 HydrophobicContact CG-CB 4.42Å; L77-F113 HydrophobicContact CB-CZ 4.36Å; A79-F113 HydrophobicContact CB-CE2 3.65Å; A79-F113 HydrophobicContact CB-CZ 3.83Å; L89-F113 HydrophobicContact CD2-CE1 3.93Å; L89-F113 HydrophobicContact CD2-CZ 3.62Å; F113-Q119 WeakPolarHBondContact CA-O 3.17Å; F113-L120 HydrophobicContact CD1-CD1 3.73Å; F113-L120 HydrophobicContact CD2-CD1 3.71Å; F113-L120 HydrophobicContact CE1-CD1 3.72Å; F113-L120 HydrophobicContact CE2-CD1 3.69Å; F113-L120 HydrophobicContact CG-CD1 3.74Å; F113-L120 HydrophobicContact CZ-CD1 3.71Å; F113-V134 HydrophobicContact CD1-CG2 4.03Å; F113-V134 HydrophobicContact CE1-CG1 4.35Å; F113-V134 HydrophobicContact CE1-CG2 3.84Å; F113-F155 WeakPolarHBondContact O-CD2 3.4Å |
| 114 | S | 96.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | trans | -64.6 | 156.3 | 165.4 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | P73 D116 S117 R118 Q119 | P73-S114 WeakPolarHBondContact CG-O 3.39Å; S114-D116 WeakPolarHBondContact CB-OD1 3.32Å; S114-D116 PolarHBondContact O-N 2.89Å; S114-D116 VanDerWaalsContact O-N 3.13Å; S114-D116 PolarHBondContact OG-OD1 3.04Å; S114-S117 WeakPolarHBondContact O-CA 3.23Å; S114-S117 PolarHBondContact O-N 2.88Å; S114-R118 PolarHBondContact OG-N 3.07Å; S114-Q119 PolarHBondContact N-O 2.54Å; S114-Q119 PolarHBondContact OG-N 3.27Å; S114-Q119 PolarHBondContact OG-O 3.04Å | ||
| 115 | P | 95.5 | Very high | 97.7 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.2 | -177.8 | -26 | 35.2 | 0 | 0 | 0 | 114.1 | S117 S156 | P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S156 VanDerWaalsContact CG-O 3.3Å; P115-S156 WeakPolarHBondContact CG-O 3.47Å |
| 116 | D | 95.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 47% | 0.465 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.8 | 176.6 | 69.2 | -6 | 0 | 0 | 0 | 114 | S114 R118 | S114-D116 WeakPolarHBondContact CB-OD1 3.32Å; S114-D116 PolarHBondContact O-N 2.89Å; S114-D116 VanDerWaalsContact O-N 3.13Å; S114-D116 PolarHBondContact OG-OD1 3.04Å; D116-R118 HydrophobicContact CB-CG 4.41Å; D116-R118 PolarHBondContact O-N 3.07Å; D116-R118 VanDerWaalsContact O-N 3.15Å; D116-R118 PolarHBondContact OD1-N 2.78Å; D116-R118 WeakPolarHBondContact OD2-CD 3.48Å |
| 117 | S | 96.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 60.8 | 12.5 | -177.4 | -51.3 | 0 | 0 | 0 | 0 | 115.5 | P73 D74 S114 P115 | P73-S117 VanDerWaalsContact CD-OG 3.32Å; P73-S117 WeakPolarHBondContact CD-OG 3.32Å; D74-S117 PolarHBondContact N-OG 3.36Å; S114-S117 WeakPolarHBondContact O-CA 3.23Å; S114-S117 PolarHBondContact O-N 2.88Å; P115-S117 VanDerWaalsContact C-N 3.3Å |
| 118 | R | 96.5 | Very high | 97.4 | Very high | 178 Ų | 178 | 34 Ų | 34 | 67% | 0.672 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -91.6 | -26.7 | -176.1 | -64.9 | -176.3 | 177.5 | 179.8 | -2.1 | 114.3 | S114 D116 V134 | S114-R118 PolarHBondContact OG-N 3.07Å; D116-R118 HydrophobicContact CB-CG 4.41Å; D116-R118 PolarHBondContact O-N 3.07Å; D116-R118 VanDerWaalsContact O-N 3.15Å; D116-R118 PolarHBondContact OD1-N 2.78Å; D116-R118 WeakPolarHBondContact OD2-CD 3.48Å; R118-V134 WeakPolarHBondContact O-CB 3.2Å; R118-V134 WeakPolarHBondContact O-CG2 3.19Å; R118-V134 PolarHBondContact O-N 2.96Å |
| 119 | Q | 97.1 | Very high | 97.3 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.164 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.2 | 177.7 | -63.7 | 179.8 | 47.5 | 0 | 0 | 110.7 | F113 S114 W132 L140 F155 | F113-Q119 WeakPolarHBondContact CA-O 3.17Å; S114-Q119 PolarHBondContact N-O 2.54Å; S114-Q119 PolarHBondContact OG-N 3.27Å; S114-Q119 PolarHBondContact OG-O 3.04Å; Q119-W132 VanDerWaalsContact CA-O 3.26Å; Q119-W132 WeakPolarHBondContact CA-O 3.33Å; Q119-L140 HydrophobicContact CG-CD1 3.98Å; Q119-F155 HydrophobicContact CB-CZ 4.38Å |
| 120 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.7 | 170.5 | -170.8 | 79.1 | 0 | 0 | 0 | 108.4 | A79 V87 L89 L101 V111 S112 F113 L131 W132 V134 | A79-L120 HydrophobicContact CB-CD1 3.8Å; A79-L120 HydrophobicContact CB-CD2 4.07Å; V87-L120 HydrophobicContact CG1-CD2 3.63Å; L89-L120 HydrophobicContact CD2-CD2 4.07Å; L101-L120 HydrophobicContact CD1-CD2 3.81Å; V111-L120 HydrophobicContact CB-CD1 4.38Å; V111-L120 HydrophobicContact CG1-CD2 4.46Å; S112-L120 CarbonylContact O-C 3.49Å; S112-L120 WeakPolarHBondContact O-CA 3.43Å; S112-L120 WeakPolarHBondContact O-CD1 3.48Å; F113-L120 HydrophobicContact CD1-CD1 3.73Å; F113-L120 HydrophobicContact CD2-CD1 3.71Å; F113-L120 HydrophobicContact CE1-CD1 3.72Å; F113-L120 HydrophobicContact CE2-CD1 3.69Å; F113-L120 HydrophobicContact CG-CD1 3.74Å; F113-L120 HydrophobicContact CZ-CD1 3.71Å; L120-L131 CarbonylContact O-C 3.47Å; L120-L131 WeakPolarHBondContact O-CA 3.21Å; L120-W132 HydrophobicContact CB-CB 4.3Å; L120-W132 PolarHBondContact N-O 2.61Å; L120-W132 VanDerWaalsContact O-CD1 3.31Å; L120-W132 PolarHBondContact O-N 3.41Å; L120-V134 HydrophobicContact CB-CG2 4.06Å |
| 121 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 142.4 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | V111 S112 M130 L131 F155 L162 | V111-A121 VanDerWaalsContact CA-O 3.24Å; V111-A121 WeakPolarHBondContact CA-O 3.5Å; S112-A121 PolarHBondContact N-O 3.31Å; S112-A121 PolarHBondContact O-N 2.78Å; A121-M130 CarbonylContact C-O 3.55Å; A121-M130 WeakPolarHBondContact CA-O 3.23Å; A121-L131 HydrophobicContact CB-CD2 3.72Å; A121-F155 HydrophobicContact CB-CE2 3.56Å; A121-F155 HydrophobicContact CB-CZ 3.92Å; A121-L162 HydrophobicContact CB-CD1 3.64Å; A121-L162 HydrophobicContact CB-CD2 3.64Å; A121-L162 HydrophobicContact CB-CG 4.32Å |
| 122 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.7 | 169.6 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | H104 T110 V129 M130 W132 | H104-S122 PolarHBondContact NE2-OG 2.8Å; T110-S122 VanDerWaalsContact O-CA 3.31Å; T110-S122 WeakPolarHBondContact O-CA 3.32Å; S122-V129 CarbonylContact O-C 3.58Å; S122-V129 VanDerWaalsContact O-CA 3.27Å; S122-V129 WeakPolarHBondContact O-CA 3.49Å; S122-M130 PolarHBondContact N-O 2.9Å; S122-M130 PolarHBondContact O-N 3.42Å; S122-W132 PolarHBondContact OG-NE1 3.33Å |
| 123 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 158.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V108 E109 T110 R128 | V108-G123 WeakPolarHBondContact CG1-O 3.36Å; E109-G123 PolarHBondContact N-O 2.9Å; T110-G123 PolarHBondContact N-O 3.27Å; T110-G123 VanDerWaalsContact N-O 3.1Å; T110-G123 PolarHBondContact O-N 3.24Å; G123-R128 WeakPolarHBondContact CA-O 3.3Å |
| 124 | G | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -153.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S107 D126 K127 S149 I150 | S107-G124 CarbonylContact O-C 3.48Å; S107-G124 VanDerWaalsContact O-CA 3.28Å; S107-G124 WeakPolarHBondContact O-CA 3.3Å; G124-D126 PolarHBondContact O-N 2.91Å; G124-K127 PolarHBondContact O-N 3.28Å; G124-S149 WeakPolarHBondContact O-CA 3.44Å; G124-I150 WeakPolarHBondContact CA-O 3.3Å; G124-I150 PolarHBondContact O-N 2.89Å |
| 125 | W | 98.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 42.8 Ų | 42.8 | 35% | 0.345 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.6 | -171.6 | -78.2 | 33 | 0 | 0 | 0 | 114.7 | R106 S107 E109 W167 | R106-W125 HydrophobicContact CB-CB 3.69Å; R106-W125 WeakPolarHBondContact CD-O 3.37Å; R106-W125 PolarHBondContact NH1-O 3.16Å; S107-W125 PolarHBondContact O-N 2.58Å; E109-W125 PolarHBondContact OE1-NE1 2.8Å; E109-W125 VanDerWaalsContact OE1-NE1 3.11Å; W125-W167 HydrophobicContact CZ2-CH2 4.33Å |
| 126 | D | 96.9 | Very high | 97.3 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 3.6 | 173.5 | 65.3 | -0.7 | 0 | 0 | 0 | 112.7 | H104 Q105 R106 G124 R128 | H104-D126 VanDerWaalsContact CA-OD2 3.23Å; H104-D126 WeakPolarHBondContact CA-OD2 3.32Å; H104-D126 WeakPolarHBondContact CB-OD2 3.21Å; H104-D126 IonicContact CE1-OD1 3.42Å; H104-D126 IonicContact CE1-OD2 3.49Å; H104-D126 IonicContact CG-OD2 3.35Å; H104-D126 IonicContact ND1-OD1 3.34Å; H104-D126 PolarHBondContact ND1-OD1 2.84Å; H104-D126 IonicContact ND1-OD2 2.78Å; H104-D126 PolarHBondContact ND1-OD2 3.25Å; Q105-D126 HydrophobicContact CB-CB 4.2Å; Q105-D126 PolarHBondContact N-OD2 3.28Å; R106-D126 HydrophobicContact CB-CB 4.13Å; R106-D126 HydrophobicContact CG-CB 4.2Å; G124-D126 PolarHBondContact O-N 2.91Å; D126-R128 PolarHBondContact O-N 3.44Å; D126-R128 WeakPolarHBondContact OD1-CB 3.22Å; D126-R128 PolarHBondContact OD1-N 2.53Å; D126-R128 VanDerWaalsContact OD1-N 3.14Å |
| 127 | K | 96.1 | Very high | 97.4 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 39% | 0.391 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 65 | 16.7 | 176.9 | -43.2 | -178.3 | 177 | -166.1 | 0 | 113.1 | G124 R147 | G124-K127 PolarHBondContact O-N 3.28Å; K127-R147 WeakPolarHBondContact CD-O 3.21Å; K127-R147 WeakPolarHBondContact CE-O 3.46Å; K127-R147 PolarHBondContact NZ-O 2.99Å |
| 128 | R | 94.7 | Very high | 97.4 | Very high | 100 Ų | 100 | 44.3 Ų | 44.3 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | trans | -107.9 | 140.7 | -178.2 | -67.9 | 174.2 | -177.1 | -156.1 | 0 | 110.2 | H104 G123 D126 M130 L142 | H104-R128 PolarHBondContact CE1-O 2.92Å; G123-R128 WeakPolarHBondContact CA-O 3.3Å; D126-R128 PolarHBondContact O-N 3.44Å; D126-R128 WeakPolarHBondContact OD1-CB 3.22Å; D126-R128 PolarHBondContact OD1-N 2.53Å; D126-R128 VanDerWaalsContact OD1-N 3.14Å; R128-M130 HydrophobicContact CB-CE 4.31Å; R128-L142 HydrophobicContact CB-CD1 3.77Å; R128-L142 HydrophobicContact CG-CD1 3.93Å | ||
| 129 | V | 97.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.7 | 166.4 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | S122 L143 I150 L162 T164 | S122-V129 CarbonylContact O-C 3.58Å; S122-V129 VanDerWaalsContact O-CA 3.27Å; S122-V129 WeakPolarHBondContact O-CA 3.49Å; V129-L143 HydrophobicContact CB-CB 4.1Å; V129-L143 HydrophobicContact CB-CD1 4.49Å; V129-L143 HydrophobicContact CG1-CD1 4Å; V129-L143 HydrophobicContact CG1-CG 4.48Å; V129-L143 PolarHBondContact N-O 3.44Å; V129-L143 PolarHBondContact O-N 3.03Å; V129-I150 HydrophobicContact CG2-CD1 3.87Å; V129-I150 HydrophobicContact CG2-CG1 3.75Å; V129-I150 HydrophobicContact CG2-CG2 4.41Å; V129-L162 HydrophobicContact CG1-CD2 3.72Å; V129-T164 HydrophobicContact CG1-CG2 4.04Å; V129-T164 HydrophobicContact CG2-CG2 3.85Å |
| 130 | M | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.6 | 179 | -65.5 | -177 | -176.3 | 0 | 0 | 109.6 | G103 A121 S122 R128 W132 M139 L142 | G103-M130 WeakPolarHBondContact O-CE 3.41Å; A121-M130 CarbonylContact C-O 3.55Å; A121-M130 WeakPolarHBondContact CA-O 3.23Å; S122-M130 PolarHBondContact N-O 2.9Å; S122-M130 PolarHBondContact O-N 3.42Å; R128-M130 HydrophobicContact CB-CE 4.31Å; M130-W132 HydrophobicContact CB-CZ2 3.6Å; M130-W132 HydrophobicContact CG-CZ2 4.15Å; M130-W132 PolarHBondContact O-NE1 3.3Å; M130-W132 HydrophobicContact SD-CH2 3.81Å; M130-W132 HydrophobicContact SD-CZ2 3.48Å; M130-W132 WeakPolarHBondContact SD-CZ2 3.49Å; M130-M139 HydrophobicContact CB-SD 4.38Å; M130-M139 HydrophobicContact CE-SD 4.44Å; M130-M139 HydrophobicContact CG-SD 3.96Å; M130-M139 HydrophobicContact SD-SD 3.83Å; M130-L142 HydrophobicContact CE-CD1 4.05Å; M130-L142 HydrophobicContact CG-CD1 3.92Å |
| 131 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.6 | 169.6 | -73.9 | 175.1 | 0 | 0 | 0 | 109.5 | L120 A121 M139 L140 R141 L143 F155 L162 L176 | L120-L131 CarbonylContact O-C 3.47Å; L120-L131 WeakPolarHBondContact O-CA 3.21Å; A121-L131 HydrophobicContact CB-CD2 3.72Å; L131-M139 CarbonylContact O-C 3.56Å; L131-L140 HydrophobicContact CB-CB 4.42Å; L131-L140 PolarHBondContact O-N 3.29Å; L131-R141 HydrophobicContact CB-CB 4.27Å; L131-R141 HydrophobicContact CD1-CB 4.3Å; L131-R141 PolarHBondContact N-O 3Å; L131-R141 PolarHBondContact O-N 3.48Å; L131-L143 HydrophobicContact CD1-CD1 4.07Å; L131-L143 HydrophobicContact CD1-CD2 4.41Å; L131-L143 HydrophobicContact CD1-CG 4.48Å; L131-L143 HydrophobicContact CG-CD1 4.27Å; L131-F155 HydrophobicContact CD2-CE1 4.36Å; L131-F155 HydrophobicContact CD2-CZ 3.68Å; L131-L162 HydrophobicContact CD2-CD2 4.32Å; L131-L176 HydrophobicContact CD1-CD1 3.96Å; L131-L176 HydrophobicContact CD1-CD2 3.57Å; L131-L176 HydrophobicContact CD1-CG 4.38Å; L131-L176 HydrophobicContact CD2-CD1 4.45Å |
| 132 | W | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.2 | -176.5 | -46.2 | 85.6 | 0 | 0 | 0 | 110 | L101 K102 Q119 L120 S122 M130 Q138 M139 | L101-W132 HydrophobicContact CB-CD2 4.14Å; L101-W132 HydrophobicContact CB-CE3 3.95Å; L101-W132 HydrophobicContact CB-CH2 4.18Å; L101-W132 HydrophobicContact CB-CZ2 4.34Å; L101-W132 HydrophobicContact CB-CZ3 3.97Å; L101-W132 HydrophobicContact CD1-CB 4.06Å; L101-W132 HydrophobicContact CD1-CD2 3.88Å; L101-W132 HydrophobicContact CD1-CE3 4.26Å; L101-W132 HydrophobicContact CD1-CG 3.77Å; L101-W132 HydrophobicContact CD2-CE3 4.41Å; L101-W132 HydrophobicContact CG-CD2 4.5Å; L101-W132 HydrophobicContact CG-CE3 4.43Å; K102-W132 WeakPolarHBondContact O-CH2 3.32Å; Q119-W132 VanDerWaalsContact CA-O 3.26Å; Q119-W132 WeakPolarHBondContact CA-O 3.33Å; L120-W132 HydrophobicContact CB-CB 4.3Å; L120-W132 PolarHBondContact N-O 2.61Å; L120-W132 VanDerWaalsContact O-CD1 3.31Å; L120-W132 PolarHBondContact O-N 3.41Å; S122-W132 PolarHBondContact OG-NE1 3.33Å; M130-W132 HydrophobicContact CB-CZ2 3.6Å; M130-W132 HydrophobicContact CG-CZ2 4.15Å; M130-W132 PolarHBondContact O-NE1 3.3Å; M130-W132 HydrophobicContact SD-CH2 3.81Å; M130-W132 HydrophobicContact SD-CZ2 3.48Å; M130-W132 WeakPolarHBondContact SD-CZ2 3.49Å; W132-Q138 VanDerWaalsContact CA-O 3.32Å; W132-Q138 WeakPolarHBondContact CA-O 3.26Å; W132-M139 HydrophobicContact CE3-CB 3.89Å; W132-M139 HydrophobicContact CH2-CB 4.44Å; W132-M139 HydrophobicContact CZ3-CB 3.79Å; W132-M139 HydrophobicContact CZ3-CG 4.44Å |
| 133 | D | 98 | Very high | 96.6 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.9 | 162.8 | 175.1 | -101.5 | 0 | 0 | 0 | 108.9 | Q135 S136 G137 Q138 L140 | D133-Q135 VanDerWaalsContact C-N 3.35Å; D133-Q135 PolarHBondContact O-N 3.38Å; D133-Q135 PolarHBondContact OD1-N 2.78Å; D133-S136 WeakPolarHBondContact CB-OG 3.24Å; D133-S136 WeakPolarHBondContact OD1-CB 3.45Å; D133-S136 PolarHBondContact OD1-N 3.1Å; D133-S136 PolarHBondContact OD1-OG 3.17Å; D133-G137 WeakPolarHBondContact O-CA 3.3Å; D133-G137 PolarHBondContact O-N 3.22Å; D133-Q138 PolarHBondContact N-O 2.79Å; D133-L140 HydrophobicContact CB-CD1 4Å; D133-L140 HydrophobicContact CB-CD2 3.95Å; D133-L140 HydrophobicContact CB-CG 3.96Å |
| 134 | V | 97.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -36.3 | -173.4 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | L77 L89 F113 R118 L120 | L77-V134 HydrophobicContact CD1-CG1 3.4Å; L89-V134 HydrophobicContact CD1-CG1 4.23Å; F113-V134 HydrophobicContact CD1-CG2 4.03Å; F113-V134 HydrophobicContact CE1-CG1 4.35Å; F113-V134 HydrophobicContact CE1-CG2 3.84Å; R118-V134 WeakPolarHBondContact O-CB 3.2Å; R118-V134 WeakPolarHBondContact O-CG2 3.19Å; R118-V134 PolarHBondContact O-N 2.96Å; L120-V134 HydrophobicContact CB-CG2 4.06Å |
| 135 | Q | 96.3 | Very high | 95.8 | Very high | 151 Ų | 151 | 55 Ų | 55 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -49.7 | -174.4 | -178.3 | 61.7 | 24.3 | 0 | 0 | 112.2 | R99 D133 | R99-Q135 PolarHBondContact NH2-O 3.04Å; R99-Q135 VanDerWaalsContact NH2-O 3.12Å; D133-Q135 VanDerWaalsContact C-N 3.35Å; D133-Q135 PolarHBondContact O-N 3.38Å; D133-Q135 PolarHBondContact OD1-N 2.78Å |
| 136 | S | 97.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -28.4 | -178.8 | 66.9 | 0 | 0 | 0 | 0 | 112.5 | D133 Q138 | D133-S136 WeakPolarHBondContact CB-OG 3.24Å; D133-S136 WeakPolarHBondContact OD1-CB 3.45Å; D133-S136 PolarHBondContact OD1-N 3.1Å; D133-S136 PolarHBondContact OD1-OG 3.17Å; S136-Q138 VanDerWaalsContact C-N 3.25Å; S136-Q138 WeakPolarHBondContact OG-CB 3.38Å; S136-Q138 PolarHBondContact OG-N 2.99Å |
| 137 | G | 96.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | trans | 74.6 | 12.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L101 D133 | L101-G137 WeakPolarHBondContact CD2-O 3.08Å; D133-G137 WeakPolarHBondContact O-CA 3.3Å; D133-G137 PolarHBondContact O-N 3.22Å | ||
| 138 | Q | 97.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 58.8 Ų | 58.8 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | trans | -81.5 | 145.3 | 179.2 | -66.1 | -62.7 | -30.3 | 0 | 0 | 111.4 | W132 D133 S136 L140 | W132-Q138 VanDerWaalsContact CA-O 3.32Å; W132-Q138 WeakPolarHBondContact CA-O 3.26Å; D133-Q138 PolarHBondContact N-O 2.79Å; S136-Q138 VanDerWaalsContact C-N 3.25Å; S136-Q138 WeakPolarHBondContact OG-CB 3.38Å; S136-Q138 PolarHBondContact OG-N 2.99Å; Q138-L140 PolarHBondContact O-N 3.49Å | ||
| 139 | M | 97.2 | Very high | 95.7 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 119 | 171.7 | -173.6 | 178.4 | 66.9 | 0 | 0 | 109.1 | M130 L131 W132 | M130-M139 HydrophobicContact CB-SD 4.38Å; M130-M139 HydrophobicContact CE-SD 4.44Å; M130-M139 HydrophobicContact CG-SD 3.96Å; M130-M139 HydrophobicContact SD-SD 3.83Å; L131-M139 CarbonylContact O-C 3.56Å; W132-M139 HydrophobicContact CE3-CB 3.89Å; W132-M139 HydrophobicContact CH2-CB 4.44Å; W132-M139 HydrophobicContact CZ3-CB 3.79Å; W132-M139 HydrophobicContact CZ3-CG 4.44Å |
| 140 | L | 94.5 | Very high | 95.8 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -48 | 178 | -65.9 | 175.4 | 0 | 0 | 0 | 111.5 | Q119 L131 D133 Q138 | Q119-L140 HydrophobicContact CG-CD1 3.98Å; L131-L140 HydrophobicContact CB-CB 4.42Å; L131-L140 PolarHBondContact O-N 3.29Å; D133-L140 HydrophobicContact CB-CD1 4Å; D133-L140 HydrophobicContact CB-CD2 3.95Å; D133-L140 HydrophobicContact CB-CG 3.96Å; Q138-L140 PolarHBondContact O-N 3.49Å |
| 141 | R | 93.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 148.2 | -174.9 | -71.1 | -173.6 | -77.1 | -149.8 | -6.1 | 111.4 | L131 L143 L176 M178 | L131-R141 HydrophobicContact CB-CB 4.27Å; L131-R141 HydrophobicContact CD1-CB 4.3Å; L131-R141 PolarHBondContact N-O 3Å; L131-R141 PolarHBondContact O-N 3.48Å; R141-L143 HydrophobicContact CB-CD2 4.13Å; R141-L176 PolarHBondContact NH1-O 3.3Å; R141-L176 PolarHBondContact NH2-O 2.67Å; R141-M178 PolarHBondContact NH1-O 3.43Å |
| 142 | L | 94.1 | Very high | 95.7 | Very high | 65 Ų | 65 | 56 Ų | 56 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.5 | 166.7 | 177.1 | 65.5 | 0 | 0 | 0 | 108.1 | R128 M130 V144 | R128-L142 HydrophobicContact CB-CD1 3.77Å; R128-L142 HydrophobicContact CG-CD1 3.93Å; M130-L142 HydrophobicContact CE-CD1 4.05Å; M130-L142 HydrophobicContact CG-CD1 3.92Å; L142-V144 HydrophobicContact CD2-CG2 4.14Å; L142-V144 HydrophobicContact CG-CG2 3.9Å |
| 143 | L | 92.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.3 | 177.6 | -40.3 | 175.1 | 0 | 0 | 0 | 108.8 | V129 L131 R141 L162 W174 L176 V183 | V129-L143 HydrophobicContact CB-CB 4.1Å; V129-L143 HydrophobicContact CB-CD1 4.49Å; V129-L143 HydrophobicContact CG1-CD1 4Å; V129-L143 HydrophobicContact CG1-CG 4.48Å; V129-L143 PolarHBondContact N-O 3.44Å; V129-L143 PolarHBondContact O-N 3.03Å; L131-L143 HydrophobicContact CD1-CD1 4.07Å; L131-L143 HydrophobicContact CD1-CD2 4.41Å; L131-L143 HydrophobicContact CD1-CG 4.48Å; L131-L143 HydrophobicContact CG-CD1 4.27Å; R141-L143 HydrophobicContact CB-CD2 4.13Å; L143-L162 HydrophobicContact CD1-CD2 4.07Å; L143-W174 HydrophobicContact CB-CD2 4.05Å; L143-W174 HydrophobicContact CB-CE3 3.79Å; L143-W174 HydrophobicContact CB-CH2 4.05Å; L143-W174 HydrophobicContact CB-CZ2 4.31Å; L143-W174 HydrophobicContact CB-CZ3 3.79Å; L143-W174 HydrophobicContact CD1-CB 4Å; L143-W174 HydrophobicContact CD1-CD2 3.83Å; L143-W174 HydrophobicContact CD1-CE3 4.17Å; L143-W174 HydrophobicContact CD1-CG 3.76Å; L143-W174 HydrophobicContact CG-CE3 4.43Å; L143-L176 HydrophobicContact CD1-CD2 4.24Å; L143-V183 HydrophobicContact CB-CG1 4.3Å; L143-V183 HydrophobicContact CD2-CG1 3.86Å; L143-V183 HydrophobicContact CD2-CG2 4.09Å |
| 144 | V | 89.4 | Confident | 95.6 | Very high | 94 Ų | 94 | 55 Ų | 55 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | trans | -122.7 | 134 | -176.6 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | L142 | L142-V144 HydrophobicContact CD2-CG2 4.14Å; L142-V144 HydrophobicContact CG-CG2 3.9Å | ||
| 145 | G | 89.6 | Confident | 95.6 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | trans | 175.1 | -38.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 146 | H | 94.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | trans | -62 | 143.8 | 175.8 | -79.3 | -56.6 | 0 | 0 | 0 | 112.8 | I150 T164 S166 D168 H172 | H146-I150 HydrophobicContact CB-CG1 4.47Å; H146-T164 PolarHBondContact CD2-OG1 2.81Å; H146-T164 PolarHBondContact NE2-O 2.96Å; H146-T164 PolarHBondContact NE2-OG1 2.74Å; H146-S166 WeakPolarHBondContact CE1-CB 3.35Å; H146-S166 WeakPolarHBondContact ND1-CB 3.21Å; H146-D168 WeakPolarHBondContact CA-OD2 3.19Å; H146-D168 WeakPolarHBondContact CB-OD2 3.35Å; H146-D168 IonicContact CG-OD2 3.2Å; H146-D168 IonicContact ND1-OD1 3.95Å; H146-D168 IonicContact ND1-OD2 3.85Å; H146-D168 PolarHBondContact ND1-OD2 2.83Å; H146-H172 AromaticContact CE1-CD2 3.68Å; H146-H172 AromaticContact CE1-CE1 3.84Å; H146-H172 AromaticContact CE1-CG 3.36Å; H146-H172 AromaticContact CE1-ND1 3.47Å; H146-H172 PolarHBondContact CE1-ND1 3.14Å; H146-H172 AromaticContact CE1-NE2 3.97Å; H146-H172 AromaticContact CG-CD2 3.99Å; H146-H172 AromaticContact ND1-CD2 3.72Å; H146-H172 AromaticContact ND1-CE1 3.74Å; H146-H172 AromaticContact ND1-CG 3.84Å; H146-H172 AromaticContact ND1-ND1 3.85Å; H146-H172 AromaticContact ND1-NE2 3.66Å; H146-H172 AromaticContact NE2-CD2 3.94Å; H146-H172 AromaticContact NE2-CG 3.68Å | ||
| 147 | R | 95.7 | Very high | 95.2 | Very high | 213 Ų | 213 | 47.9 Ų | 47.9 | 80% | 0.804 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -93.4 | -13 | 179.7 | -58.8 | -177.4 | -175.2 | -140.9 | 2.2 | 112.5 | K127 D168 | K127-R147 WeakPolarHBondContact CD-O 3.21Å; K127-R147 WeakPolarHBondContact CE-O 3.46Å; K127-R147 PolarHBondContact NZ-O 2.99Å; R147-D168 HydrophobicContact CB-CB 4.02Å; R147-D168 PolarHBondContact N-OD2 2.86Å |
| 148 | D | 97.6 | Very high | 94.6 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -141.9 | -171.6 | 177.1 | -143.6 | -40.5 | 0 | 0 | 0 | 112.1 | S166 W167 D168 | D148-S166 PolarHBondContact O-OG 2.81Å; D148-W167 HydrophobicContact CB-CB 3.86Å; D148-D168 HydrophobicContact CB-CB 4.12Å |
| 149 | S | 97.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | trans | -65.9 | 135.4 | -171.3 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | G124 S166 W167 | G124-S149 WeakPolarHBondContact O-CA 3.44Å; S149-S166 VanDerWaalsContact O-CA 3.32Å; S149-S166 WeakPolarHBondContact O-CA 3.37Å; S149-S166 PolarHBondContact O-OG 3.12Å; S149-W167 PolarHBondContact O-N 3.26Å | ||
| 150 | I | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.4 | 175.6 | -59.2 | 97 | 0 | 0 | 0 | 108.6 | T110 G124 V129 H146 T164 | T110-I150 HydrophobicContact CG2-CG2 3.95Å; G124-I150 WeakPolarHBondContact CA-O 3.3Å; G124-I150 PolarHBondContact O-N 2.89Å; V129-I150 HydrophobicContact CG2-CD1 3.87Å; V129-I150 HydrophobicContact CG2-CG1 3.75Å; V129-I150 HydrophobicContact CG2-CG2 4.41Å; H146-I150 HydrophobicContact CB-CG1 4.47Å; I150-T164 HydrophobicContact CG2-CG2 4.5Å |
| 151 | Q | 97 | Very high | 93.3 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -24.9 | 179.9 | -68.9 | -61.9 | -70 | 0 | 0 | 113.8 | T110 G165 W167 | T110-Q151 WeakPolarHBondContact CB-O 3.44Å; Q151-G165 PolarHBondContact N-O 2.83Å; Q151-W167 HydrophobicContact CG-CG 4.25Å |
| 152 | S | 97 | Very high | 93.5 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 140.7 | -176.1 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | T110 T164 G165 L198 | T110-S152 WeakPolarHBondContact OG1-CA 3.43Å; S152-T164 CarbonylContact O-C 3.59Å; S152-T164 VanDerWaalsContact O-CA 3.3Å; S152-T164 WeakPolarHBondContact O-CA 3.32Å; S152-G165 PolarHBondContact N-O 3.18Å; S152-G165 PolarHBondContact O-N 2.91Å; S152-L198 PolarHBondContact OG-N 3.41Å |
| 153 | S | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.7 | 168.3 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | R70 T110 S112 A163 | R70-S153 PolarHBondContact NH1-O 3.41Å; T110-S153 PolarHBondContact OG1-N 3.05Å; T110-S153 VanDerWaalsContact OG1-N 3.08Å; S112-S153 WeakPolarHBondContact OG-CB 3.43Å; S112-S153 PolarHBondContact OG-OG 2.85Å; S153-A163 CarbonylContact C-O 3.53Å; S153-A163 VanDerWaalsContact CA-O 3.25Å; S153-A163 WeakPolarHBondContact CA-O 3.44Å |
| 154 | D | 97.5 | Very high | 93.9 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141 | 170.9 | -156.9 | 16.1 | 0 | 0 | 0 | 111.1 | A163 C199 Y200 | D154-A163 PolarHBondContact N-O 3Å; D154-A163 PolarHBondContact O-N 3.01Å; D154-C199 WeakPolarHBondContact OD2-CA 3.29Å; D154-Y200 HydrophobicContact CB-CD2 3.97Å; D154-Y200 WeakPolarHBondContact O-CE2 3.49Å; D154-Y200 PolarHBondContact OD2-N 3.47Å |
| 155 | F | 96.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 142.9 | 177 | -82.9 | -95.7 | 0 | 0 | 0 | 110.3 | S112 F113 Q119 A121 L131 L162 L176 Y200 | S112-F155 VanDerWaalsContact O-CE2 3.32Å; S112-F155 WeakPolarHBondContact O-CE2 3.37Å; F113-F155 WeakPolarHBondContact O-CD2 3.4Å; Q119-F155 HydrophobicContact CB-CZ 4.38Å; A121-F155 HydrophobicContact CB-CE2 3.56Å; A121-F155 HydrophobicContact CB-CZ 3.92Å; L131-F155 HydrophobicContact CD2-CE1 4.36Å; L131-F155 HydrophobicContact CD2-CZ 3.68Å; F155-L162 HydrophobicContact CD1-CD1 4.24Å; F155-L162 HydrophobicContact CD2-CD1 3.68Å; F155-L162 HydrophobicContact CE1-CB 4.48Å; F155-L162 HydrophobicContact CE1-CD1 4.29Å; F155-L162 HydrophobicContact CE2-CD1 3.71Å; F155-L162 HydrophobicContact CG-CD1 3.96Å; F155-L162 HydrophobicContact CZ-CD1 4.04Å; F155-L176 HydrophobicContact CD1-CD1 4.21Å; F155-L176 HydrophobicContact CE1-CD1 3.51Å; F155-L176 HydrophobicContact CZ-CD1 4.38Å; F155-Y200 VanDerWaalsContact C-CD2 3.44Å; F155-Y200 VanDerWaalsContact O-CD2 3.25Å; F155-Y200 WeakPolarHBondContact O-CD2 3.31Å |
| 156 | S | 94.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | trans | -69.5 | 135.8 | 170.7 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | P115 T158 V159 C161 | P115-S156 VanDerWaalsContact CG-O 3.3Å; P115-S156 WeakPolarHBondContact CG-O 3.47Å; S156-T158 VanDerWaalsContact C-N 3.34Å; S156-T158 PolarHBondContact OG-N 3.07Å; S156-T158 PolarHBondContact OG-OG1 2.86Å; S156-V159 VanDerWaalsContact CB-O 3.32Å; S156-V159 WeakPolarHBondContact CB-O 3.39Å; S156-V159 VanDerWaalsContact OG-CG2 3.24Å; S156-V159 WeakPolarHBondContact OG-CG2 3.3Å; S156-V159 PolarHBondContact OG-N 2.8Å; S156-C161 PolarHBondContact N-O 2.87Å | ||
| 157 | P | 90.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 40% | 0.396 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -78.2 | -19.1 | 176.3 | 27.7 | -30.9 | 0 | 0 | 0 | 113.3 | S201 | P157-S201 WeakPolarHBondContact CG-O 3.22Š|
| 158 | T | 83.8 | Confident | 94.9 | Very high | 85 Ų | 85 | 24.9 Ų | 24.9 | 52% | 0.521 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -107.8 | -30.3 | -171.5 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | S156 A202 | S156-T158 VanDerWaalsContact C-N 3.34Å; S156-T158 PolarHBondContact OG-N 3.07Å; S156-T158 PolarHBondContact OG-OG1 2.86Å; T158-A202 VanDerWaalsContact CG2-O 3.3Å; T158-A202 WeakPolarHBondContact CG2-O 3.44Å |
| 159 | V | 82.9 | Confident | 94.9 | Very high | 59 Ų | 59 | 23.7 Ų | 23.7 | 36% | 0.358 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -125.7 | 152.2 | 179.8 | -65.4 | 0 | 0 | 0 | 0 | 110 | S156 C161 | S156-V159 VanDerWaalsContact CB-O 3.32Å; S156-V159 WeakPolarHBondContact CB-O 3.39Å; S156-V159 VanDerWaalsContact OG-CG2 3.24Å; S156-V159 WeakPolarHBondContact OG-CG2 3.3Å; S156-V159 PolarHBondContact OG-N 2.8Å; V159-C161 HydrophobicContact CG2-CB 3.93Å; V159-C161 PolarHBondContact O-N 2.85Å |
| 160 | N | 87.3 | Confident | 94.9 | Very high | 68 Ų | 68 | 24.4 Ų | 24.4 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -76.9 | 69.4 | 177.2 | -171.4 | 22.4 | 0 | 0 | 0 | 110.3 | L176 R177 | N160-L176 VanDerWaalsContact O-CB 3.31Å; N160-L176 WeakPolarHBondContact O-CB 3.3Å; N160-L176 PolarHBondContact O-N 2.91Å; N160-R177 HydrophobicContact CB-CG 3.85Å |
| 161 | C | 92.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.5 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | S156 V159 I173 W174 | S156-C161 PolarHBondContact N-O 2.87Å; V159-C161 HydrophobicContact CG2-CB 3.93Å; V159-C161 PolarHBondContact O-N 2.85Å; C161-I173 HydrophobicContact CB-CG2 4.19Å; C161-W174 CarbonylContact C-O 3.51Å; C161-W174 WeakPolarHBondContact CA-O 3.29Å; C161-W174 WeakPolarHBondContact CB-O 3.28Å |
| 162 | L | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.7 | 171.5 | 177.5 | 73.8 | 0 | 0 | 0 | 108.7 | A121 V129 L131 L143 F155 T164 I173 W174 L176 | A121-L162 HydrophobicContact CB-CD1 3.64Å; A121-L162 HydrophobicContact CB-CD2 3.64Å; A121-L162 HydrophobicContact CB-CG 4.32Å; V129-L162 HydrophobicContact CG1-CD2 3.72Å; L131-L162 HydrophobicContact CD2-CD2 4.32Å; L143-L162 HydrophobicContact CD1-CD2 4.07Å; F155-L162 HydrophobicContact CD1-CD1 4.24Å; F155-L162 HydrophobicContact CD2-CD1 3.68Å; F155-L162 HydrophobicContact CE1-CB 4.48Å; F155-L162 HydrophobicContact CE1-CD1 4.29Å; F155-L162 HydrophobicContact CE2-CD1 3.71Å; F155-L162 HydrophobicContact CG-CD1 3.96Å; F155-L162 HydrophobicContact CZ-CD1 4.04Å; L162-T164 HydrophobicContact CD2-CG2 3.85Å; L162-T164 HydrophobicContact CG-CG2 4.02Å; L162-I173 CarbonylContact O-C 3.56Å; L162-I173 WeakPolarHBondContact O-CA 3.35Å; L162-W174 HydrophobicContact CB-CB 4.28Å; L162-W174 PolarHBondContact N-O 3.08Å; L162-W174 VanDerWaalsContact O-CD1 3.22Å; L162-W174 PolarHBondContact O-N 2.75Å; L162-L176 HydrophobicContact CB-CD1 4.11Å; L162-L176 HydrophobicContact CB-CG 4.48Å |
| 163 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.2 | 165 | 0 | 0 | 0 | 0 | 0 | 109.9 | S153 D154 V171 H172 I173 L198 Y200 L206 | S153-A163 CarbonylContact C-O 3.53Å; S153-A163 VanDerWaalsContact CA-O 3.25Å; S153-A163 WeakPolarHBondContact CA-O 3.44Å; D154-A163 PolarHBondContact N-O 3Å; D154-A163 PolarHBondContact O-N 3.01Å; A163-V171 HydrophobicContact CB-CG1 4.42Å; A163-H172 CarbonylContact C-O 3.59Å; A163-H172 VanDerWaalsContact CA-O 3.31Å; A163-H172 WeakPolarHBondContact CA-O 3.37Å; A163-I173 HydrophobicContact CB-CD1 3.68Å; A163-L198 HydrophobicContact CB-CD1 3.97Å; A163-Y200 HydrophobicContact CB-CD2 4.47Å; A163-Y200 HydrophobicContact CB-CE2 3.48Å; A163-Y200 VanDerWaalsContact CB-CE2 3.48Å; A163-L206 HydrophobicContact CB-CD1 4.02Å; A163-L206 HydrophobicContact CB-CD2 3.71Å |
| 164 | T | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.9 | 171.1 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | V129 H146 I150 S152 L162 V171 H172 W174 | V129-T164 HydrophobicContact CG1-CG2 4.04Å; V129-T164 HydrophobicContact CG2-CG2 3.85Å; H146-T164 PolarHBondContact CD2-OG1 2.81Å; H146-T164 PolarHBondContact NE2-O 2.96Å; H146-T164 PolarHBondContact NE2-OG1 2.74Å; I150-T164 HydrophobicContact CG2-CG2 4.5Å; S152-T164 CarbonylContact O-C 3.59Å; S152-T164 VanDerWaalsContact O-CA 3.3Å; S152-T164 WeakPolarHBondContact O-CA 3.32Å; L162-T164 HydrophobicContact CD2-CG2 3.85Å; L162-T164 HydrophobicContact CG-CG2 4.02Å; T164-V171 CarbonylContact O-C 3.59Å; T164-V171 VanDerWaalsContact O-CA 3.25Å; T164-V171 WeakPolarHBondContact O-CA 3.47Å; T164-H172 PolarHBondContact N-O 2.61Å; T164-H172 PolarHBondContact O-N 3.33Å; T164-W174 PolarHBondContact OG1-NE1 3.46Å |
| 165 | G | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q151 S152 | Q151-G165 PolarHBondContact N-O 2.83Å; S152-G165 PolarHBondContact N-O 3.18Å; S152-G165 PolarHBondContact O-N 2.91Å |
| 166 | S | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 161 | -170.6 | 170.1 | 0 | 0 | 0 | 0 | 113 | H146 D148 S149 D168 S169 T170 I195 | H146-S166 WeakPolarHBondContact CE1-CB 3.35Å; H146-S166 WeakPolarHBondContact ND1-CB 3.21Å; D148-S166 PolarHBondContact O-OG 2.81Å; S149-S166 VanDerWaalsContact O-CA 3.32Å; S149-S166 WeakPolarHBondContact O-CA 3.37Å; S149-S166 PolarHBondContact O-OG 3.12Å; S166-D168 VanDerWaalsContact CB-OD1 3.23Å; S166-D168 WeakPolarHBondContact CB-OD1 3.37Å; S166-D168 WeakPolarHBondContact CB-OD2 3.4Å; S166-D168 PolarHBondContact O-N 2.85Å; S166-D168 PolarHBondContact OG-N 3.34Å; S166-D168 VanDerWaalsContact OG-N 3.11Å; S166-D168 PolarHBondContact OG-OD1 2.84Å; S166-D168 PolarHBondContact OG-OD2 2.94Å; S166-S169 PolarHBondContact O-N 2.8Å; S166-T170 PolarHBondContact N-O 3.27Å; S166-T170 VanDerWaalsContact N-O 3.17Å; S166-I195 PolarHBondContact O-N 2.9Å |
| 167 | W | 97.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 31.4 Ų | 31.4 | 24% | 0.242 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11 | 169.2 | -77.8 | 9.7 | 0 | 0 | 0 | 113.8 | W125 D148 S149 Q151 S169 N194 W211 | W125-W167 HydrophobicContact CZ2-CH2 4.33Å; D148-W167 HydrophobicContact CB-CB 3.86Å; S149-W167 PolarHBondContact O-N 3.26Å; Q151-W167 HydrophobicContact CG-CG 4.25Å; W167-S169 PolarHBondContact O-N 3Å; W167-S169 VanDerWaalsContact O-N 3.12Å; W167-N194 HydrophobicContact CB-CB 4.36Å; W167-N194 HydrophobicContact CG-CB 4.07Å; W167-N194 PolarHBondContact O-OD1 2.74Å; W167-W211 HydrophobicContact CZ2-CH2 4.43Å; W167-W211 HydrophobicContact CZ2-CZ2 4.38Å |
| 168 | D | 96.9 | Very high | 92.2 | Very high | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 8 | 167.9 | 62.3 | 30.5 | 0 | 0 | 0 | 113.8 | H146 R147 D148 S166 T170 | H146-D168 WeakPolarHBondContact CA-OD2 3.19Å; H146-D168 WeakPolarHBondContact CB-OD2 3.35Å; H146-D168 IonicContact CG-OD2 3.2Å; H146-D168 IonicContact ND1-OD1 3.95Å; H146-D168 IonicContact ND1-OD2 3.85Å; H146-D168 PolarHBondContact ND1-OD2 2.83Å; R147-D168 HydrophobicContact CB-CB 4.02Å; R147-D168 PolarHBondContact N-OD2 2.86Å; D148-D168 HydrophobicContact CB-CB 4.12Å; S166-D168 VanDerWaalsContact CB-OD1 3.23Å; S166-D168 WeakPolarHBondContact CB-OD1 3.37Å; S166-D168 WeakPolarHBondContact CB-OD2 3.4Å; S166-D168 PolarHBondContact O-N 2.85Å; S166-D168 PolarHBondContact OG-N 3.34Å; S166-D168 VanDerWaalsContact OG-N 3.11Å; S166-D168 PolarHBondContact OG-OD1 2.84Å; S166-D168 PolarHBondContact OG-OD2 2.94Å; D168-T170 PolarHBondContact O-N 2.89Å; D168-T170 WeakPolarHBondContact OD1-CB 3.47Å; D168-T170 PolarHBondContact OD1-N 3.06Å; D168-T170 PolarHBondContact OD1-OG1 3.15Å |
| 169 | S | 97.3 | Very high | 91 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 67.5 | 10.6 | -179.7 | -47.8 | 0 | 0 | 0 | 0 | 114.8 | S166 W167 A193 N194 | S166-S169 PolarHBondContact O-N 2.8Å; W167-S169 PolarHBondContact O-N 3Å; W167-S169 VanDerWaalsContact O-N 3.12Å; S169-A193 WeakPolarHBondContact CB-O 3.28Å; S169-A193 VanDerWaalsContact OG-CA 3.29Å; S169-A193 WeakPolarHBondContact OG-CA 3.36Å; S169-A193 PolarHBondContact OG-O 3.37Å; S169-N194 PolarHBondContact OG-N 2.54Å |
| 170 | T | 96.9 | Very high | 89.7 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | trans | -110.2 | 155.4 | 178.6 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | S166 D168 H172 E189 I195 | S166-T170 PolarHBondContact N-O 3.27Å; S166-T170 VanDerWaalsContact N-O 3.17Å; D168-T170 PolarHBondContact O-N 2.89Å; D168-T170 WeakPolarHBondContact OD1-CB 3.47Å; D168-T170 PolarHBondContact OD1-N 3.06Å; D168-T170 PolarHBondContact OD1-OG1 3.15Å; T170-H172 PolarHBondContact OG1-CE1 2.88Å; T170-H172 PolarHBondContact OG1-ND1 3.37Å; T170-E189 HydrophobicContact CG2-CG 4.23Å; T170-I195 WeakPolarHBondContact O-CG1 3.4Å | ||
| 171 | V | 97.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134 | 164 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | A163 T164 I173 A187 L188 I195 L198 L206 | A163-V171 HydrophobicContact CB-CG1 4.42Å; T164-V171 CarbonylContact O-C 3.59Å; T164-V171 VanDerWaalsContact O-CA 3.25Å; T164-V171 WeakPolarHBondContact O-CA 3.47Å; V171-I173 HydrophobicContact CG1-CD1 4.08Å; V171-A187 CarbonylContact O-C 3.58Å; V171-A187 WeakPolarHBondContact O-CA 3.3Å; V171-L188 HydrophobicContact CB-CB 4.19Å; V171-L188 HydrophobicContact CB-CD1 4.47Å; V171-L188 HydrophobicContact CG1-CD1 4.35Å; V171-L188 PolarHBondContact N-O 3.37Å; V171-L188 VanDerWaalsContact N-O 3.16Å; V171-L188 PolarHBondContact O-N 3Å; V171-I195 HydrophobicContact CG2-CD1 4.24Å; V171-I195 HydrophobicContact CG2-CG1 4.05Å; V171-I195 HydrophobicContact CG2-CG2 4.31Å; V171-L198 HydrophobicContact CG1-CD1 4.15Å; V171-L198 HydrophobicContact CG1-CD2 4.17Å; V171-L198 HydrophobicContact CG2-CD2 3.86Å; V171-L206 HydrophobicContact CG1-CD2 3.86Å |
| 172 | H | 96.3 | Very high | 86 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133 | 171.9 | -72.7 | 12.1 | 0 | 0 | 0 | 110.2 | H146 A163 T164 T170 W174 H185 Q186 | H146-H172 AromaticContact CE1-CD2 3.68Å; H146-H172 AromaticContact CE1-CE1 3.84Å; H146-H172 AromaticContact CE1-CG 3.36Å; H146-H172 AromaticContact CE1-ND1 3.47Å; H146-H172 PolarHBondContact CE1-ND1 3.14Å; H146-H172 AromaticContact CE1-NE2 3.97Å; H146-H172 AromaticContact CG-CD2 3.99Å; H146-H172 AromaticContact ND1-CD2 3.72Å; H146-H172 AromaticContact ND1-CE1 3.74Å; H146-H172 AromaticContact ND1-CG 3.84Å; H146-H172 AromaticContact ND1-ND1 3.85Å; H146-H172 AromaticContact ND1-NE2 3.66Å; H146-H172 AromaticContact NE2-CD2 3.94Å; H146-H172 AromaticContact NE2-CG 3.68Å; A163-H172 CarbonylContact C-O 3.59Å; A163-H172 VanDerWaalsContact CA-O 3.31Å; A163-H172 WeakPolarHBondContact CA-O 3.37Å; T164-H172 PolarHBondContact N-O 2.61Å; T164-H172 PolarHBondContact O-N 3.33Å; T170-H172 PolarHBondContact OG1-CE1 2.88Å; T170-H172 PolarHBondContact OG1-ND1 3.37Å; H172-W174 HydrophobicContact CB-CD2 4.5Å; H172-W174 HydrophobicContact CB-CZ2 3.77Å; H172-W174 AromaticContact CD2-CH2 3.9Å; H172-W174 AromaticContact CD2-CZ2 3.76Å; H172-H185 AromaticContact CD2-CD2 3.1Å; H172-H185 PolarHBondContact CD2-CD2 2.55Å; H172-H185 AromaticContact CD2-CG 3.89Å; H172-H185 AromaticContact CD2-NE2 3.43Å; H172-H185 PolarHBondContact CD2-NE2 3.13Å; H172-H185 AromaticContact CE1-CD2 3.97Å; H172-H185 AromaticContact CG-CD2 3.51Å; H172-H185 AromaticContact NE2-CD2 3.45Å; H172-H185 PolarHBondContact NE2-CD2 3.46Å; H172-H185 AromaticContact NE2-NE2 3.32Å; H172-H185 PolarHBondContact NE2-NE2 3.43Å; H172-Q186 CarbonylContact C-O 3.59Å; H172-Q186 WeakPolarHBondContact CA-O 3.25Å |
| 173 | I | 95.9 | Very high | 84.2 | Confident | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115 | 171.8 | -49.5 | -58.4 | 0 | 0 | 0 | 108.1 | C161 L162 A163 V171 H185 Q186 L188 L206 P220 | C161-I173 HydrophobicContact CB-CG2 4.19Å; L162-I173 CarbonylContact O-C 3.56Å; L162-I173 WeakPolarHBondContact O-CA 3.35Å; A163-I173 HydrophobicContact CB-CD1 3.68Å; V171-I173 HydrophobicContact CG1-CD1 4.08Å; I173-H185 VanDerWaalsContact O-CA 3.23Å; I173-H185 WeakPolarHBondContact O-CA 3.3Å; I173-Q186 HydrophobicContact CB-CB 4.47Å; I173-Q186 PolarHBondContact N-O 3.48Å; I173-Q186 PolarHBondContact O-N 2.95Å; I173-L188 HydrophobicContact CD1-CD1 4.02Å; I173-L188 HydrophobicContact CG1-CD1 3.97Å; I173-L188 HydrophobicContact CG1-CG 4.13Å; I173-L206 HydrophobicContact CD1-CD2 3.62Å; I173-P220 HydrophobicContact CD1-CB 4.38Å; I173-P220 HydrophobicContact CG1-CB 4.34Å |
| 174 | W | 93.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120 | -177.9 | -48.2 | 92.2 | 0 | 0 | 0 | 109.6 | L143 C161 L162 T164 H172 L176 V183 H185 | L143-W174 HydrophobicContact CB-CD2 4.05Å; L143-W174 HydrophobicContact CB-CE3 3.79Å; L143-W174 HydrophobicContact CB-CH2 4.05Å; L143-W174 HydrophobicContact CB-CZ2 4.31Å; L143-W174 HydrophobicContact CB-CZ3 3.79Å; L143-W174 HydrophobicContact CD1-CB 4Å; L143-W174 HydrophobicContact CD1-CD2 3.83Å; L143-W174 HydrophobicContact CD1-CE3 4.17Å; L143-W174 HydrophobicContact CD1-CG 3.76Å; L143-W174 HydrophobicContact CG-CE3 4.43Å; C161-W174 CarbonylContact C-O 3.51Å; C161-W174 WeakPolarHBondContact CA-O 3.29Å; C161-W174 WeakPolarHBondContact CB-O 3.28Å; L162-W174 HydrophobicContact CB-CB 4.28Å; L162-W174 PolarHBondContact N-O 3.08Å; L162-W174 VanDerWaalsContact O-CD1 3.22Å; L162-W174 PolarHBondContact O-N 2.75Å; T164-W174 PolarHBondContact OG1-NE1 3.46Å; H172-W174 HydrophobicContact CB-CD2 4.5Å; H172-W174 HydrophobicContact CB-CZ2 3.77Å; H172-W174 AromaticContact CD2-CH2 3.9Å; H172-W174 AromaticContact CD2-CZ2 3.76Å; W174-L176 HydrophobicContact CB-CD2 4.09Å; W174-L176 PolarHBondContact O-N 3.27Å; W174-V183 HydrophobicContact CD2-CG1 4.4Å; W174-V183 HydrophobicContact CE3-CB 4.47Å; W174-V183 HydrophobicContact CE3-CG1 3.16Å; W174-V183 HydrophobicContact CZ3-CB 4.3Å; W174-V183 HydrophobicContact CZ3-CG1 3.36Å; W174-H185 HydrophobicContact CD2-CB 3.99Å; W174-H185 HydrophobicContact CE3-CB 3.43Å; W174-H185 VanDerWaalsContact CE3-CB 3.43Å; W174-H185 HydrophobicContact CH2-CB 4.28Å; W174-H185 HydrophobicContact CZ3-CB 3.6Å; W174-H185 AromaticContact CZ3-CG 3.77Å; W174-H185 AromaticContact CZ3-ND1 3.82Å |
| 175 | D | 90.5 | Very high | 81.8 | Confident | 32 Ų | 32 | 51 Ų | 51 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.3 | 171.4 | -170.7 | -19.7 | 0 | 0 | 0 | 109.7 | R177 | D175-R177 VanDerWaalsContact OD1-CB 3.25Å; D175-R177 WeakPolarHBondContact OD1-CB 3.32Å; D175-R177 WeakPolarHBondContact OD1-CG 3.44Å; D175-R177 IonicContact OD1-CZ 3.17Å; D175-R177 PolarHBondContact OD1-N 2.9Å; D175-R177 IonicContact OD1-NE 3.86Å; D175-R177 PolarHBondContact OD1-NE 2.56Å; D175-R177 IonicContact OD1-NH2 2.85Å; D175-R177 IonicContact OD2-CZ 3.78Å; D175-R177 IonicContact OD2-NE 3.51Å; D175-R177 PolarHBondContact OD2-NE 2.77Å; D175-R177 IonicContact OD2-NH2 4Å; D175-R177 PolarHBondContact OD2-NH2 3.48Å |
| 176 | L | 88.5 | Confident | 81.3 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -93.5 | -1.7 | -174.1 | -59.3 | -170.8 | 0 | 0 | 0 | 113.3 | L131 R141 L143 F155 N160 L162 W174 | L131-L176 HydrophobicContact CD1-CD1 3.96Å; L131-L176 HydrophobicContact CD1-CD2 3.57Å; L131-L176 HydrophobicContact CD1-CG 4.38Å; L131-L176 HydrophobicContact CD2-CD1 4.45Å; R141-L176 PolarHBondContact NH1-O 3.3Å; R141-L176 PolarHBondContact NH2-O 2.67Å; L143-L176 HydrophobicContact CD1-CD2 4.24Å; F155-L176 HydrophobicContact CD1-CD1 4.21Å; F155-L176 HydrophobicContact CE1-CD1 3.51Å; F155-L176 HydrophobicContact CZ-CD1 4.38Å; N160-L176 VanDerWaalsContact O-CB 3.31Å; N160-L176 WeakPolarHBondContact O-CB 3.3Å; N160-L176 PolarHBondContact O-N 2.91Å; L162-L176 HydrophobicContact CB-CD1 4.11Å; L162-L176 HydrophobicContact CB-CG 4.48Å; W174-L176 HydrophobicContact CB-CD2 4.09Å; W174-L176 PolarHBondContact O-N 3.27Å |
| 177 | R | 82.7 | Confident | 81.1 | Confident | 161 Ų | 161 | 56.8 Ų | 56.8 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -75.9 | -29.2 | 177.4 | -59.6 | 174 | -69.8 | 179.9 | 0.2 | 112.4 | N160 D175 V179 | N160-R177 HydrophobicContact CB-CG 3.85Å; D175-R177 VanDerWaalsContact OD1-CB 3.25Å; D175-R177 WeakPolarHBondContact OD1-CB 3.32Å; D175-R177 WeakPolarHBondContact OD1-CG 3.44Å; D175-R177 IonicContact OD1-CZ 3.17Å; D175-R177 PolarHBondContact OD1-N 2.9Å; D175-R177 IonicContact OD1-NE 3.86Å; D175-R177 PolarHBondContact OD1-NE 2.56Å; D175-R177 IonicContact OD1-NH2 2.85Å; D175-R177 IonicContact OD2-CZ 3.78Å; D175-R177 IonicContact OD2-NE 3.51Å; D175-R177 PolarHBondContact OD2-NE 2.77Å; D175-R177 IonicContact OD2-NH2 4Å; D175-R177 PolarHBondContact OD2-NH2 3.48Å; R177-V179 PolarHBondContact O-N 3.46Å |
| 178 | M | 67.4 | Low | 80.9 | Confident | 94 Ų | 94 | 54 Ų | 54 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | trans | -75.5 | 127.6 | -179 | -62.5 | -165.3 | 179.3 | 0 | 0 | 110.2 | R141 T180 | R141-M178 PolarHBondContact NH1-O 3.43Å; M178-T180 VanDerWaalsContact C-N 3.31Å | ||
| 179 | V | 58 | Low | 80.7 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 87% | 0.867 | 33% | 0.333 | S | S | * | . | trans | -85.3 | -9.4 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | R177 | R177-V179 PolarHBondContact O-N 3.46Š| ||
| 180 | T | 57.1 | Low | 80.5 | Confident | 89 Ų | 89 | 60.3 Ų | 60.3 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -77.7 | 143 | -177.8 | 40.3 | 0 | 0 | 0 | 0 | 112.8 | M178 A182 | M178-T180 VanDerWaalsContact C-N 3.31Å; T180-A182 PolarHBondContact O-N 3Å |
| 181 | P | 52.4 | Low | 80.5 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -70.7 | -9.5 | -178.7 | 27.5 | -33.8 | 0 | 0 | 0 | 114 | V183 | P181-V183 VanDerWaalsContact C-N 3.3Å; P181-V183 PolarHBondContact O-N 3.27Å |
| 182 | A | 49.7 | Very low | 80.5 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -73.3 | 92.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | T180 S184 | T180-A182 PolarHBondContact O-N 3Å; A182-S184 VanDerWaalsContact C-N 3.32Å; A182-S184 PolarHBondContact O-N 3.11Å |
| 183 | V | 58.1 | Low | 80.5 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | trans | -66.7 | 95.2 | 176.7 | -173 | 0 | 0 | 0 | 0 | 108 | L143 W174 P181 H185 | L143-V183 HydrophobicContact CB-CG1 4.3Å; L143-V183 HydrophobicContact CD2-CG1 3.86Å; L143-V183 HydrophobicContact CD2-CG2 4.09Å; W174-V183 HydrophobicContact CD2-CG1 4.4Å; W174-V183 HydrophobicContact CE3-CB 4.47Å; W174-V183 HydrophobicContact CE3-CG1 3.16Å; W174-V183 HydrophobicContact CZ3-CB 4.3Å; W174-V183 HydrophobicContact CZ3-CG1 3.36Å; P181-V183 VanDerWaalsContact C-N 3.3Å; P181-V183 PolarHBondContact O-N 3.27Å; V183-H185 PolarHBondContact O-N 3.28Å | ||
| 184 | S | 64.9 | Low | 80.6 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | trans | -69.5 | 114.2 | 170.2 | 53.7 | 0 | 0 | 0 | 0 | 107.3 | A182 | A182-S184 VanDerWaalsContact C-N 3.32Å; A182-S184 PolarHBondContact O-N 3.11Å | ||
| 185 | H | 79.1 | Confident | 80.8 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 33% | 0.329 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.1 | 171.8 | 70.8 | -83 | 0 | 0 | 0 | 108.9 | H172 I173 W174 V183 | H172-H185 AromaticContact CD2-CD2 3.1Å; H172-H185 PolarHBondContact CD2-CD2 2.55Å; H172-H185 AromaticContact CD2-CG 3.89Å; H172-H185 AromaticContact CD2-NE2 3.43Å; H172-H185 PolarHBondContact CD2-NE2 3.13Å; H172-H185 AromaticContact CE1-CD2 3.97Å; H172-H185 AromaticContact CG-CD2 3.51Å; H172-H185 AromaticContact NE2-CD2 3.45Å; H172-H185 PolarHBondContact NE2-CD2 3.46Å; H172-H185 AromaticContact NE2-NE2 3.32Å; H172-H185 PolarHBondContact NE2-NE2 3.43Å; I173-H185 VanDerWaalsContact O-CA 3.23Å; I173-H185 WeakPolarHBondContact O-CA 3.3Å; W174-H185 HydrophobicContact CD2-CB 3.99Å; W174-H185 HydrophobicContact CE3-CB 3.43Å; W174-H185 VanDerWaalsContact CE3-CB 3.43Å; W174-H185 HydrophobicContact CH2-CB 4.28Å; W174-H185 HydrophobicContact CZ3-CB 3.6Å; W174-H185 AromaticContact CZ3-CG 3.77Å; W174-H185 AromaticContact CZ3-ND1 3.82Å; V183-H185 PolarHBondContact O-N 3.28Å |
| 186 | Q | 88.5 | Confident | 81 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.8 | 173.1 | -178.4 | 164.1 | 33.4 | 0 | 0 | 109 | H172 I173 L188 S223 | H172-Q186 CarbonylContact C-O 3.59Å; H172-Q186 WeakPolarHBondContact CA-O 3.25Å; I173-Q186 HydrophobicContact CB-CB 4.47Å; I173-Q186 PolarHBondContact N-O 3.48Å; I173-Q186 PolarHBondContact O-N 2.95Å; Q186-L188 HydrophobicContact CG-CD2 4.41Å; Q186-S223 VanDerWaalsContact CD-CB 3.49Å; Q186-S223 PolarHBondContact NE2-OG 3.22Å |
| 187 | A | 92.3 | Very high | 81.3 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 128 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V171 | V171-A187 CarbonylContact O-C 3.58Å; V171-A187 WeakPolarHBondContact O-CA 3.3Å |
| 188 | L | 94 | Very high | 82 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.6 | 166.2 | -48.4 | 179 | 0 | 0 | 0 | 107.4 | V171 I173 Q186 L206 W218 | V171-L188 HydrophobicContact CB-CB 4.19Å; V171-L188 HydrophobicContact CB-CD1 4.47Å; V171-L188 HydrophobicContact CG1-CD1 4.35Å; V171-L188 PolarHBondContact N-O 3.37Å; V171-L188 VanDerWaalsContact N-O 3.16Å; V171-L188 PolarHBondContact O-N 3Å; I173-L188 HydrophobicContact CD1-CD1 4.02Å; I173-L188 HydrophobicContact CG1-CD1 3.97Å; I173-L188 HydrophobicContact CG1-CG 4.13Å; Q186-L188 HydrophobicContact CG-CD2 4.41Å; L188-L206 HydrophobicContact CD1-CD2 4.31Å; L188-W218 HydrophobicContact CB-CD2 4.37Å; L188-W218 HydrophobicContact CB-CE3 4.12Å; L188-W218 HydrophobicContact CB-CH2 4.38Å; L188-W218 HydrophobicContact CB-CZ3 4.12Å; L188-W218 HydrophobicContact CD1-CB 4.1Å; L188-W218 HydrophobicContact CD1-CD2 4.02Å; L188-W218 HydrophobicContact CD1-CE3 4.26Å; L188-W218 HydrophobicContact CD1-CG 3.95Å |
| 189 | E | 94 | Very high | 83.4 | Confident | 148 Ų | 148 | 55.5 Ų | 55.5 | 69% | 0.692 | 35% | 0.35 | S | S | * | . | trans | -109.4 | 146.6 | -179.8 | -62.3 | -175.7 | -178.6 | 0 | 0 | 110 | T170 W218 | T170-E189 HydrophobicContact CG2-CG 4.23Å; E189-W218 WeakPolarHBondContact O-CH2 3.49Å | ||
| 190 | G | 92.9 | Very high | 85.2 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | trans | 155.5 | -22.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H216 | G190-H216 PolarHBondContact O-CE1 3.1Š| ||
| 191 | H | 97 | Very high | 87 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | trans | -74.3 | 145.2 | 168.4 | -79.7 | -65.1 | 0 | 0 | 0 | 111.1 | I195 S208 S210 D212 T214 H216 | H191-I195 HydrophobicContact CB-CD1 3.69Å; H191-I195 WeakPolarHBondContact CD2-CD1 3.45Å; H191-S208 PolarHBondContact CD2-OG 2.58Å; H191-S208 PolarHBondContact NE2-O 3.38Å; H191-S208 PolarHBondContact NE2-OG 2.8Å; H191-S210 VanDerWaalsContact CE1-CB 3.41Å; H191-S210 WeakPolarHBondContact CE1-CB 3.25Å; H191-S210 WeakPolarHBondContact ND1-CB 3.38Å; H191-D212 VanDerWaalsContact CA-OD2 3.31Å; H191-D212 WeakPolarHBondContact CA-OD2 3.27Å; H191-D212 WeakPolarHBondContact CB-OD2 3.46Å; H191-D212 IonicContact CE1-OD1 3.85Å; H191-D212 IonicContact CE1-OD2 2.85Å; H191-D212 IonicContact CG-OD2 2.78Å; H191-D212 IonicContact ND1-OD1 2.69Å; H191-D212 PolarHBondContact ND1-OD1 2.87Å; H191-D212 IonicContact ND1-OD2 2.96Å; H191-D212 PolarHBondContact ND1-OD2 3.31Å; H191-T214 PolarHBondContact CE1-OG1 3.02Å; H191-T214 PolarHBondContact ND1-OG1 3.07Å; H191-H216 AromaticContact CD2-ND1 3.26Å; H191-H216 PolarHBondContact CD2-ND1 2.92Å; H191-H216 VanDerWaalsContact CD2-ND1 3.26Å; H191-H216 AromaticContact CE1-CE1 3.59Å; H191-H216 AromaticContact CE1-CG 3.63Å; H191-H216 AromaticContact CE1-ND1 3.06Å; H191-H216 PolarHBondContact CE1-ND1 3.1Å; H191-H216 AromaticContact CG-CE1 3.78Å; H191-H216 AromaticContact CG-ND1 3.42Å; H191-H216 AromaticContact ND1-CE1 3.43Å; H191-H216 PolarHBondContact ND1-CE1 2.87Å; H191-H216 AromaticContact ND1-ND1 3.27Å; H191-H216 PolarHBondContact ND1-ND1 3.11Å; H191-H216 AromaticContact NE2-CE1 3.98Å; H191-H216 AromaticContact NE2-CG 3.59Å; H191-H216 AromaticContact NE2-ND1 3.04Å; H191-H216 PolarHBondContact NE2-ND1 2.79Å | ||
| 192 | S | 96.6 | Very high | 88.8 | Confident | 105 Ų | 105 | 42.9 Ų | 42.9 | 73% | 0.734 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -98.9 | 1.3 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | D212 | S192-D212 PolarHBondContact N-OD2 3.33Å; S192-D212 VanDerWaalsContact OG-CB 3.24Å; S192-D212 WeakPolarHBondContact OG-CB 3.35Å |
| 193 | A | 97.2 | Very high | 90.8 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -153.1 | 176.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S169 S210 W211 D212 | S169-A193 WeakPolarHBondContact CB-O 3.28Å; S169-A193 VanDerWaalsContact OG-CA 3.29Å; S169-A193 WeakPolarHBondContact OG-CA 3.36Å; S169-A193 PolarHBondContact OG-O 3.37Å; A193-S210 PolarHBondContact O-OG 2.79Å; A193-W211 HydrophobicContact CB-CB 3.87Å; A193-D212 HydrophobicContact CB-CB 4.05Å |
| 194 | N | 97.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | trans | -45.4 | 133.8 | -174.7 | -57.7 | 22.7 | 0 | 0 | 0 | 113.6 | W167 S169 S210 W211 | W167-N194 HydrophobicContact CB-CB 4.36Å; W167-N194 HydrophobicContact CG-CB 4.07Å; W167-N194 PolarHBondContact O-OD1 2.74Å; S169-N194 PolarHBondContact OG-N 2.54Å; N194-S210 VanDerWaalsContact O-CA 3.28Å; N194-S210 WeakPolarHBondContact O-CA 3.28Å; N194-S210 WeakPolarHBondContact O-CB 3.39Å; N194-S210 PolarHBondContact O-OG 3.11Å; N194-W211 HydrophobicContact CB-CB 4.31Å; N194-W211 HydrophobicContact CB-CD2 3.99Å; N194-W211 HydrophobicContact CB-CE3 4.38Å; N194-W211 HydrophobicContact CB-CG 3.95Å; N194-W211 PolarHBondContact O-N 3.28Å | ||
| 195 | I | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.1 | 169 | -48.6 | -55.2 | 0 | 0 | 0 | 108.7 | S166 T170 V171 H191 L198 | S166-I195 PolarHBondContact O-N 2.9Å; T170-I195 WeakPolarHBondContact O-CG1 3.4Å; V171-I195 HydrophobicContact CG2-CD1 4.24Å; V171-I195 HydrophobicContact CG2-CG1 4.05Å; V171-I195 HydrophobicContact CG2-CG2 4.31Å; H191-I195 HydrophobicContact CB-CD1 3.69Å; H191-I195 WeakPolarHBondContact CD2-CD1 3.45Å; I195-L198 HydrophobicContact CG2-CD2 4.01Å; I195-L198 HydrophobicContact CG2-CG 4.33Å |
| 196 | S | 95.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -30.5 | -177.1 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | G209 V236 | S196-G209 PolarHBondContact N-O 2.97Å; S196-G209 PolarHBondContact OG-O 3.21Å; S196-V236 VanDerWaalsContact CB-O 3.3Å; S196-V236 WeakPolarHBondContact CB-O 3.49Å; S196-V236 PolarHBondContact OG-O 3.23Å |
| 197 | C | 95.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 145.7 | -178.6 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | S208 G209 K237 I239 | C197-S208 WeakPolarHBondContact O-CA 3.3Å; C197-G209 PolarHBondContact N-O 2.81Å; C197-G209 PolarHBondContact O-N 2.84Å; C197-K237 WeakPolarHBondContact CB-O 3.48Å; C197-I239 HydrophobicContact CB-CG1 4.29Å |
| 198 | L | 97.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.9 | 174.1 | -65.5 | 179 | 0 | 0 | 0 | 109.9 | S152 A163 V171 I195 L206 A207 | S152-L198 PolarHBondContact OG-N 3.41Å; A163-L198 HydrophobicContact CB-CD1 3.97Å; V171-L198 HydrophobicContact CG1-CD1 4.15Å; V171-L198 HydrophobicContact CG1-CD2 4.17Å; V171-L198 HydrophobicContact CG2-CD2 3.86Å; I195-L198 HydrophobicContact CG2-CD2 4.01Å; I195-L198 HydrophobicContact CG2-CG 4.33Å; L198-L206 HydrophobicContact CB-CD1 4.36Å; L198-L206 HydrophobicContact CD2-CD1 4.43Å; L198-A207 WeakPolarHBondContact CA-O 3.49Å |
| 199 | C | 95.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 125.4 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | D154 A207 I239 F241 | D154-C199 WeakPolarHBondContact OD2-CA 3.29Å; C199-A207 PolarHBondContact N-O 3.18Å; C199-A207 PolarHBondContact O-N 2.89Å; C199-I239 HydrophobicContact CB-CD1 4.11Å; C199-I239 HydrophobicContact CB-CG1 3.83Å; C199-F241 WeakPolarHBondContact O-CE2 3.33Å |
| 200 | Y | 96.2 | Very high | 95.9 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 144.7 | 166.7 | -86.8 | -76.8 | 0 | 0 | 0 | 111.3 | D154 F155 A163 L205 L206 P220 | D154-Y200 HydrophobicContact CB-CD2 3.97Å; D154-Y200 WeakPolarHBondContact O-CE2 3.49Å; D154-Y200 PolarHBondContact OD2-N 3.47Å; F155-Y200 VanDerWaalsContact C-CD2 3.44Å; F155-Y200 VanDerWaalsContact O-CD2 3.25Å; F155-Y200 WeakPolarHBondContact O-CD2 3.31Å; A163-Y200 HydrophobicContact CB-CD2 4.47Å; A163-Y200 HydrophobicContact CB-CE2 3.48Å; A163-Y200 VanDerWaalsContact CB-CE2 3.48Å; Y200-L205 CarbonylContact C-O 3.58Å; Y200-L205 WeakPolarHBondContact CA-O 3.42Å; Y200-L205 WeakPolarHBondContact CD1-O 3.32Å; Y200-L206 HydrophobicContact CD1-CB 4.19Å; Y200-L206 HydrophobicContact CD1-CD1 4.17Å; Y200-L206 HydrophobicContact CD2-CD1 3.91Å; Y200-L206 HydrophobicContact CE1-CB 3.98Å; Y200-L206 HydrophobicContact CE1-CD1 4.19Å; Y200-L206 HydrophobicContact CE2-CD1 3.92Å; Y200-L206 HydrophobicContact CG-CD1 4.03Å; Y200-P220 HydrophobicContact CE1-CG 4.01Å |
| 201 | S | 94.7 | Very high | 96 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -84.9 | 164.2 | 163.1 | 84.8 | 0 | 0 | 0 | 0 | 110.5 | P157 S203 G204 L205 E245 | P157-S201 WeakPolarHBondContact CG-O 3.22Å; S201-S203 PolarHBondContact O-N 3.08Å; S201-S203 PolarHBondContact OG-OG 2.85Å; S201-G204 PolarHBondContact O-N 2.88Å; S201-G204 PolarHBondContact OG-N 3.45Å; S201-L205 PolarHBondContact N-O 2.92Å; S201-L205 WeakPolarHBondContact OG-CB 3.49Å; S201-L205 PolarHBondContact OG-N 3.02Å; S201-L205 VanDerWaalsContact OG-N 3.07Å; S201-E245 VanDerWaalsContact CB-CD 3.42Å; S201-E245 VanDerWaalsContact CB-OE2 3.3Å; S201-E245 WeakPolarHBondContact CB-OE2 3.27Å; S201-E245 VanDerWaalsContact OG-CD 3.26Å; S201-E245 PolarHBondContact OG-OE1 2.79Å; S201-E245 PolarHBondContact OG-OE2 3.37Å | ||
| 202 | A | 90.9 | Very high | 96 | Very high | 70 Ų | 70 | 26.7 Ų | 26.7 | 58% | 0.579 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T158 G204 E245 | T158-A202 VanDerWaalsContact CG2-O 3.3Å; T158-A202 WeakPolarHBondContact CG2-O 3.44Å; A202-G204 VanDerWaalsContact C-N 3.31Å; A202-E245 VanDerWaalsContact CA-OE1 3.28Å; A202-E245 WeakPolarHBondContact CA-OE1 3.47Å; A202-E245 VanDerWaalsContact CB-OE1 3.29Å; A202-E245 WeakPolarHBondContact CB-OE1 3.44Å; A202-E245 PolarHBondContact N-OE1 2.81Å |
| 203 | S | 92 | Very high | 95.9 | Very high | 71 Ų | 71 | 26.5 Ų | 26.5 | 50% | 0.497 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.6 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | S201 E245 | S201-S203 PolarHBondContact O-N 3.08Å; S201-S203 PolarHBondContact OG-OG 2.85Å; S203-E245 WeakPolarHBondContact CB-OE1 3.36Å; S203-E245 VanDerWaalsContact CB-OE2 3.32Å; S203-E245 WeakPolarHBondContact CB-OE2 3.3Å; S203-E245 PolarHBondContact N-OE1 3.4Å; S203-E245 PolarHBondContact OG-OE1 3.06Å; S203-E245 PolarHBondContact OG-OE2 2.74Å |
| 204 | G | 93.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 95.1 | 14.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | S201 A202 P220 | S201-G204 PolarHBondContact O-N 2.88Å; S201-G204 PolarHBondContact OG-N 3.45Å; A202-G204 VanDerWaalsContact C-N 3.31Å; G204-P220 WeakPolarHBondContact O-CD 3.32Å |
| 205 | L | 95.2 | Very high | 95.9 | Very high | 42 Ų | 42 | 24.5 Ų | 24.5 | 22% | 0.22 | 14% | 0.14 | C | C | . | . | trans | -65.5 | 148.4 | 162.1 | -60.8 | 179.3 | 0 | 0 | 0 | 109.2 | Y200 S201 I217 L226 F241 | Y200-L205 CarbonylContact C-O 3.58Å; Y200-L205 WeakPolarHBondContact CA-O 3.42Å; Y200-L205 WeakPolarHBondContact CD1-O 3.32Å; S201-L205 PolarHBondContact N-O 2.92Å; S201-L205 WeakPolarHBondContact OG-CB 3.49Å; S201-L205 PolarHBondContact OG-N 3.02Å; S201-L205 VanDerWaalsContact OG-N 3.07Å; L205-I217 HydrophobicContact CB-CG2 4.4Å; L205-I217 HydrophobicContact CD1-CG2 4.36Å; L205-L226 HydrophobicContact CD2-CD1 3.68Å; L205-F241 HydrophobicContact CB-CZ 4.43Å | ||
| 206 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.9 | 177.1 | 179.6 | 64.2 | 0 | 0 | 0 | 109 | A163 V171 I173 L188 L198 Y200 I217 W218 P220 | A163-L206 HydrophobicContact CB-CD1 4.02Å; A163-L206 HydrophobicContact CB-CD2 3.71Å; V171-L206 HydrophobicContact CG1-CD2 3.86Å; I173-L206 HydrophobicContact CD1-CD2 3.62Å; L188-L206 HydrophobicContact CD1-CD2 4.31Å; L198-L206 HydrophobicContact CB-CD1 4.36Å; L198-L206 HydrophobicContact CD2-CD1 4.43Å; Y200-L206 HydrophobicContact CD1-CB 4.19Å; Y200-L206 HydrophobicContact CD1-CD1 4.17Å; Y200-L206 HydrophobicContact CD2-CD1 3.91Å; Y200-L206 HydrophobicContact CE1-CB 3.98Å; Y200-L206 HydrophobicContact CE1-CD1 4.19Å; Y200-L206 HydrophobicContact CE2-CD1 3.92Å; Y200-L206 HydrophobicContact CG-CD1 4.03Å; L206-I217 CarbonylContact O-C 3.53Å; L206-I217 WeakPolarHBondContact O-CA 3.26Å; L206-W218 HydrophobicContact CB-CB 4.39Å; L206-W218 PolarHBondContact N-O 2.73Å; L206-W218 VanDerWaalsContact N-O 3.08Å; L206-W218 VanDerWaalsContact O-CD1 3.25Å; L206-W218 PolarHBondContact O-N 2.85Å; L206-P220 HydrophobicContact CB-CG 3.71Å; L206-P220 HydrophobicContact CD2-CG 4.43Å |
| 207 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L198 C199 I215 H216 I217 I239 F241 L248 | L198-A207 WeakPolarHBondContact CA-O 3.49Å; C199-A207 PolarHBondContact N-O 3.18Å; C199-A207 PolarHBondContact O-N 2.89Å; A207-I215 HydrophobicContact CB-CG2 4.43Å; A207-H216 CarbonylContact C-O 3.53Å; A207-H216 VanDerWaalsContact CA-O 3.27Å; A207-H216 WeakPolarHBondContact CA-O 3.36Å; A207-I217 HydrophobicContact CB-CG1 4.47Å; A207-I239 VanDerWaalsContact C-CD1 3.49Å; A207-I239 HydrophobicContact CB-CD1 3.72Å; A207-I239 VanDerWaalsContact O-CD1 3.22Å; A207-I239 WeakPolarHBondContact O-CD1 3.41Å; A207-F241 HydrophobicContact CB-CD2 4.5Å; A207-F241 HydrophobicContact CB-CE2 3.5Å; A207-F241 HydrophobicContact CB-CZ 3.68Å; A207-L248 HydrophobicContact CB-CD1 4.05Å; A207-L248 HydrophobicContact CB-CD2 4.33Å |
| 208 | S | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.5 | 172.2 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | H191 C197 I215 H216 W218 | H191-S208 PolarHBondContact CD2-OG 2.58Å; H191-S208 PolarHBondContact NE2-O 3.38Å; H191-S208 PolarHBondContact NE2-OG 2.8Å; C197-S208 WeakPolarHBondContact O-CA 3.3Å; S208-I215 CarbonylContact O-C 3.59Å; S208-I215 WeakPolarHBondContact O-CA 3.15Å; S208-I215 WeakPolarHBondContact O-CG2 3.44Å; S208-H216 PolarHBondContact N-O 3.02Å; S208-H216 PolarHBondContact O-N 2.96Å; S208-W218 PolarHBondContact OG-NE1 3.43Å |
| 209 | G | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S196 C197 | S196-G209 PolarHBondContact N-O 2.97Å; S196-G209 PolarHBondContact OG-O 3.21Å; C197-G209 PolarHBondContact N-O 2.81Å; C197-G209 PolarHBondContact O-N 2.84Å |
| 210 | S | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 165.3 | -174.9 | 169.9 | 0 | 0 | 0 | 0 | 113.2 | H191 A193 N194 D212 K213 T214 V236 | H191-S210 VanDerWaalsContact CE1-CB 3.41Å; H191-S210 WeakPolarHBondContact CE1-CB 3.25Å; H191-S210 WeakPolarHBondContact ND1-CB 3.38Å; A193-S210 PolarHBondContact O-OG 2.79Å; N194-S210 VanDerWaalsContact O-CA 3.28Å; N194-S210 WeakPolarHBondContact O-CA 3.28Å; N194-S210 WeakPolarHBondContact O-CB 3.39Å; N194-S210 PolarHBondContact O-OG 3.11Å; S210-D212 VanDerWaalsContact CB-OD1 3.28Å; S210-D212 WeakPolarHBondContact CB-OD1 3.36Å; S210-D212 PolarHBondContact O-N 2.81Å; S210-D212 PolarHBondContact OG-N 2.87Å; S210-D212 VanDerWaalsContact OG-N 3.11Å; S210-D212 PolarHBondContact OG-OD1 2.93Å; S210-D212 PolarHBondContact OG-OD2 2.94Å; S210-K213 PolarHBondContact O-N 3.34Å; S210-T214 PolarHBondContact N-O 3.05Å; S210-V236 PolarHBondContact O-N 2.81Å; S210-V236 VanDerWaalsContact O-N 3.11Å |
| 211 | W | 96.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 31.4 Ų | 31.4 | 35% | 0.352 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.3 | 170.1 | -72.1 | 26.7 | 0 | 0 | 0 | 113.8 | W167 A193 N194 K213 W235 | W167-W211 HydrophobicContact CZ2-CH2 4.43Å; W167-W211 HydrophobicContact CZ2-CZ2 4.38Å; A193-W211 HydrophobicContact CB-CB 3.87Å; N194-W211 HydrophobicContact CB-CB 4.31Å; N194-W211 HydrophobicContact CB-CD2 3.99Å; N194-W211 HydrophobicContact CB-CE3 4.38Å; N194-W211 HydrophobicContact CB-CG 3.95Å; N194-W211 PolarHBondContact O-N 3.28Å; W211-K213 PolarHBondContact O-N 3.33Å; W211-K213 VanDerWaalsContact O-N 3.13Å; W211-W235 HydrophobicContact CB-CB 4.15Å; W211-W235 HydrophobicContact CD2-CD2 4.45Å; W211-W235 AromaticContact CD2-CE3 3.89Å; W211-W235 HydrophobicContact CD2-CE3 3.89Å; W211-W235 HydrophobicContact CD2-CZ3 4.41Å; W211-W235 HydrophobicContact CE3-CE3 4.02Å; W211-W235 HydrophobicContact CE3-CZ3 4.17Å; W211-W235 HydrophobicContact CG-CB 4.02Å; W211-W235 HydrophobicContact CG-CE3 4.19Å; W211-W235 HydrophobicContact CG-CG 4.49Å; W211-W235 HydrophobicContact CZ3-CZ3 4.24Å |
| 212 | D | 96.4 | Very high | 95 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 2.6 | 171.6 | 69.2 | 16.1 | 0 | 0 | 0 | 113.3 | H191 S192 A193 S210 T214 | H191-D212 VanDerWaalsContact CA-OD2 3.31Å; H191-D212 WeakPolarHBondContact CA-OD2 3.27Å; H191-D212 WeakPolarHBondContact CB-OD2 3.46Å; H191-D212 IonicContact CE1-OD1 3.85Å; H191-D212 IonicContact CE1-OD2 2.85Å; H191-D212 IonicContact CG-OD2 2.78Å; H191-D212 IonicContact ND1-OD1 2.69Å; H191-D212 PolarHBondContact ND1-OD1 2.87Å; H191-D212 IonicContact ND1-OD2 2.96Å; H191-D212 PolarHBondContact ND1-OD2 3.31Å; S192-D212 PolarHBondContact N-OD2 3.33Å; S192-D212 VanDerWaalsContact OG-CB 3.24Å; S192-D212 WeakPolarHBondContact OG-CB 3.35Å; A193-D212 HydrophobicContact CB-CB 4.05Å; S210-D212 VanDerWaalsContact CB-OD1 3.28Å; S210-D212 WeakPolarHBondContact CB-OD1 3.36Å; S210-D212 PolarHBondContact O-N 2.81Å; S210-D212 PolarHBondContact OG-N 2.87Å; S210-D212 VanDerWaalsContact OG-N 3.11Å; S210-D212 PolarHBondContact OG-OD1 2.93Å; S210-D212 PolarHBondContact OG-OD2 2.94Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.44Å; D212-T214 WeakPolarHBondContact OD1-CA 3.38Å; D212-T214 VanDerWaalsContact OD1-CB 3.3Å; D212-T214 WeakPolarHBondContact OD1-CB 3.22Å; D212-T214 PolarHBondContact OD1-N 3.41Å; D212-T214 PolarHBondContact OD1-OG1 3.45Å; D212-T214 PolarHBondContact OD2-OG1 3.14Å |
| 213 | K | 95.2 | Very high | 94.9 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 70.1 | 15.5 | 177.2 | -41.7 | 167.8 | 180 | -177.4 | 0 | 113.1 | S210 W211 H232 V233 | S210-K213 PolarHBondContact O-N 3.34Å; W211-K213 PolarHBondContact O-N 3.33Å; W211-K213 VanDerWaalsContact O-N 3.13Å; K213-H232 HydrophobicContact CB-CB 4.38Å; K213-V233 WeakPolarHBondContact CD-O 3.4Å; K213-V233 VanDerWaalsContact CE-O 3.29Å; K213-V233 WeakPolarHBondContact CE-O 3.42Å; K213-V233 PolarHBondContact NZ-O 2.87Å |
| 214 | T | 96.6 | Very high | 95 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.092 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 162.4 | 176.6 | 75.5 | 0 | 0 | 0 | 0 | 111.1 | H191 S210 D212 L229 K230 | H191-T214 PolarHBondContact CE1-OG1 3.02Å; H191-T214 PolarHBondContact ND1-OG1 3.07Å; S210-T214 PolarHBondContact N-O 3.05Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.44Å; D212-T214 WeakPolarHBondContact OD1-CA 3.38Å; D212-T214 VanDerWaalsContact OD1-CB 3.3Å; D212-T214 WeakPolarHBondContact OD1-CB 3.22Å; D212-T214 PolarHBondContact OD1-N 3.41Å; D212-T214 PolarHBondContact OD1-OG1 3.45Å; D212-T214 PolarHBondContact OD2-OG1 3.14Å; T214-L229 WeakPolarHBondContact CA-O 3.36Å; T214-K230 HydrophobicContact CG2-CG 4.17Å |
| 215 | I | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.8 | 167.7 | -55.2 | 166.6 | 0 | 0 | 0 | 107 | A207 S208 L229 V236 I239 L248 S250 | A207-I215 HydrophobicContact CB-CG2 4.43Å; S208-I215 CarbonylContact O-C 3.59Å; S208-I215 WeakPolarHBondContact O-CA 3.15Å; S208-I215 WeakPolarHBondContact O-CG2 3.44Å; I215-L229 HydrophobicContact CB-CB 4.07Å; I215-L229 HydrophobicContact CB-CD1 4.05Å; I215-L229 HydrophobicContact CB-CG 4.32Å; I215-L229 HydrophobicContact CD1-CD1 4.41Å; I215-L229 HydrophobicContact CG2-CD1 4.11Å; I215-L229 PolarHBondContact N-O 2.81Å; I215-L229 VanDerWaalsContact N-O 3.08Å; I215-L229 PolarHBondContact O-N 2.86Å; I215-V236 HydrophobicContact CD1-CG1 4.15Å; I215-V236 HydrophobicContact CD1-CG2 4.33Å; I215-V236 HydrophobicContact CG1-CB 4.47Å; I215-V236 HydrophobicContact CG1-CG1 4.07Å; I215-V236 HydrophobicContact CG1-CG2 3.8Å; I215-I239 HydrophobicContact CD1-CG2 3.93Å; I215-I239 HydrophobicContact CG1-CG2 4.33Å; I215-I239 HydrophobicContact CG2-CG2 4.47Å; I215-L248 HydrophobicContact CD1-CD2 4.21Å; I215-L248 HydrophobicContact CG2-CD2 3.76Å; I215-S250 VanDerWaalsContact CD1-OG 3.22Å; I215-S250 WeakPolarHBondContact CD1-OG 3.28Å |
| 216 | H | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.7 | 172.7 | -71.8 | 143.1 | 0 | 0 | 0 | 110 | G190 H191 A207 S208 W218 L225 Q228 | G190-H216 PolarHBondContact O-CE1 3.1Å; H191-H216 AromaticContact CD2-ND1 3.26Å; H191-H216 PolarHBondContact CD2-ND1 2.92Å; H191-H216 VanDerWaalsContact CD2-ND1 3.26Å; H191-H216 AromaticContact CE1-CE1 3.59Å; H191-H216 AromaticContact CE1-CG 3.63Å; H191-H216 AromaticContact CE1-ND1 3.06Å; H191-H216 PolarHBondContact CE1-ND1 3.1Å; H191-H216 AromaticContact CG-CE1 3.78Å; H191-H216 AromaticContact CG-ND1 3.42Å; H191-H216 AromaticContact ND1-CE1 3.43Å; H191-H216 PolarHBondContact ND1-CE1 2.87Å; H191-H216 AromaticContact ND1-ND1 3.27Å; H191-H216 PolarHBondContact ND1-ND1 3.11Å; H191-H216 AromaticContact NE2-CE1 3.98Å; H191-H216 AromaticContact NE2-CG 3.59Å; H191-H216 AromaticContact NE2-ND1 3.04Å; H191-H216 PolarHBondContact NE2-ND1 2.79Å; A207-H216 CarbonylContact C-O 3.53Å; A207-H216 VanDerWaalsContact CA-O 3.27Å; A207-H216 WeakPolarHBondContact CA-O 3.36Å; S208-H216 PolarHBondContact N-O 3.02Å; S208-H216 PolarHBondContact O-N 2.96Å; H216-W218 HydrophobicContact CB-CD2 4.29Å; H216-W218 HydrophobicContact CB-CH2 4.32Å; H216-W218 HydrophobicContact CB-CZ2 3.39Å; H216-W218 VanDerWaalsContact CB-NE1 3.31Å; H216-W218 AromaticContact CG-CZ2 3.67Å; H216-W218 AromaticContact ND1-CH2 4Å; H216-W218 AromaticContact ND1-CZ2 3.48Å; H216-W218 WeakPolarHBondContact ND1-CZ2 3.26Å; H216-L225 HydrophobicContact CB-CD1 3.47Å; H216-L225 VanDerWaalsContact CB-CD1 3.47Å; H216-Q228 VanDerWaalsContact CD2-CG 3.46Å; H216-Q228 WeakPolarHBondContact CD2-CG 3.24Å; H216-Q228 VanDerWaalsContact NE2-CD 3.27Å; H216-Q228 VanDerWaalsContact NE2-CG 3.33Å; H216-Q228 WeakPolarHBondContact NE2-CG 3.37Å; H216-Q228 PolarHBondContact NE2-NE2 2.99Å |
| 217 | I | 97.4 | Very high | 95 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121 | 169.1 | -59 | 177.8 | 0 | 0 | 0 | 107.6 | L205 L206 A207 L226 I227 L229 F241 C262 | L205-I217 HydrophobicContact CB-CG2 4.4Å; L205-I217 HydrophobicContact CD1-CG2 4.36Å; L206-I217 CarbonylContact O-C 3.53Å; L206-I217 WeakPolarHBondContact O-CA 3.26Å; A207-I217 HydrophobicContact CB-CG1 4.47Å; I217-L226 WeakPolarHBondContact O-CB 3.25Å; I217-L226 PolarHBondContact O-N 3.29Å; I217-I227 HydrophobicContact CB-CB 4.33Å; I217-I227 PolarHBondContact N-O 3.11Å; I217-I227 PolarHBondContact O-N 3.4Å; I217-L229 HydrophobicContact CD1-CD1 4.26Å; I217-F241 HydrophobicContact CD1-CE1 4.49Å; I217-F241 HydrophobicContact CG2-CZ 4.45Å; I217-C262 HydrophobicContact CD1-CB 4.38Å |
| 218 | W | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.3 | -174.4 | -47.1 | 88.1 | 0 | 0 | 0 | 110.8 | L188 E189 L206 S208 H216 P220 S224 L225 | L188-W218 HydrophobicContact CB-CD2 4.37Å; L188-W218 HydrophobicContact CB-CE3 4.12Å; L188-W218 HydrophobicContact CB-CH2 4.38Å; L188-W218 HydrophobicContact CB-CZ3 4.12Å; L188-W218 HydrophobicContact CD1-CB 4.1Å; L188-W218 HydrophobicContact CD1-CD2 4.02Å; L188-W218 HydrophobicContact CD1-CE3 4.26Å; L188-W218 HydrophobicContact CD1-CG 3.95Å; E189-W218 WeakPolarHBondContact O-CH2 3.49Å; L206-W218 HydrophobicContact CB-CB 4.39Å; L206-W218 PolarHBondContact N-O 2.73Å; L206-W218 VanDerWaalsContact N-O 3.08Å; L206-W218 VanDerWaalsContact O-CD1 3.25Å; L206-W218 PolarHBondContact O-N 2.85Å; S208-W218 PolarHBondContact OG-NE1 3.43Å; H216-W218 HydrophobicContact CB-CD2 4.29Å; H216-W218 HydrophobicContact CB-CH2 4.32Å; H216-W218 HydrophobicContact CB-CZ2 3.39Å; H216-W218 VanDerWaalsContact CB-NE1 3.31Å; H216-W218 AromaticContact CG-CZ2 3.67Å; H216-W218 AromaticContact ND1-CH2 4Å; H216-W218 AromaticContact ND1-CZ2 3.48Å; H216-W218 WeakPolarHBondContact ND1-CZ2 3.26Å; W218-P220 WeakPolarHBondContact O-CD 3.33Å; W218-S224 WeakPolarHBondContact CA-O 3.39Å; W218-L225 HydrophobicContact CD2-CD1 4.09Å; W218-L225 HydrophobicContact CE3-CB 3.88Å; W218-L225 HydrophobicContact CE3-CD1 3.99Å; W218-L225 HydrophobicContact CH2-CD1 4.16Å; W218-L225 HydrophobicContact CZ2-CD1 4.26Å; W218-L225 HydrophobicContact CZ3-CB 3.74Å; W218-L225 HydrophobicContact CZ3-CD1 4.03Å; W218-L225 HydrophobicContact CZ3-CG 4.39Å |
| 219 | K | 94.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 100.5 | 158.1 | -173.7 | 171.8 | -178.7 | 176.9 | 0 | 108.3 | T221 T222 S223 S224 L226 | K219-T221 VanDerWaalsContact C-N 3.28Å; K219-T221 PolarHBondContact O-N 3.14Å; K219-T222 HydrophobicContact CD-CG2 4.49Å; K219-T222 WeakPolarHBondContact CG-OG1 3.47Å; K219-T222 PolarHBondContact O-N 3.2Å; K219-T222 PolarHBondContact O-OG1 2.94Å; K219-S223 WeakPolarHBondContact O-CA 3.1Å; K219-S223 PolarHBondContact O-N 3.37Å; K219-S224 PolarHBondContact N-O 3.21Å; K219-S224 PolarHBondContact O-N 3.03Å; K219-L226 HydrophobicContact CB-CD1 4.05Å; K219-L226 HydrophobicContact CB-CD2 4.06Å; K219-L226 HydrophobicContact CB-CG 4.08Å |
| 220 | P | 90.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -61.5 | -34.1 | -172.3 | -28.5 | 38.5 | 0 | 0 | 0 | 113.8 | I173 Y200 G204 L206 W218 T222 S223 | I173-P220 HydrophobicContact CD1-CB 4.38Å; I173-P220 HydrophobicContact CG1-CB 4.34Å; Y200-P220 HydrophobicContact CE1-CG 4.01Å; G204-P220 WeakPolarHBondContact O-CD 3.32Å; L206-P220 HydrophobicContact CB-CG 3.71Å; L206-P220 HydrophobicContact CD2-CG 4.43Å; W218-P220 WeakPolarHBondContact O-CD 3.33Å; P220-T222 PolarHBondContact O-N 3.03Å; P220-S223 PolarHBondContact O-N 2.94Å; P220-S223 VanDerWaalsContact O-N 3.11Å |
| 221 | T | 87 | Confident | 94.1 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.9 | -27.7 | -178.4 | 51.6 | 0 | 0 | 0 | 0 | 114 | K219 | K219-T221 VanDerWaalsContact C-N 3.28Å; K219-T221 PolarHBondContact O-N 3.14Å |
| 222 | T | 89.4 | Confident | 93.7 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 47% | 0.466 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -111.1 | 0.9 | 176.7 | 50.5 | 0 | 0 | 0 | 0 | 112 | K219 P220 S224 | K219-T222 HydrophobicContact CD-CG2 4.49Å; K219-T222 WeakPolarHBondContact CG-OG1 3.47Å; K219-T222 PolarHBondContact O-N 3.2Å; K219-T222 PolarHBondContact O-OG1 2.94Å; P220-T222 PolarHBondContact O-N 3.03Å; T222-S224 PolarHBondContact O-N 2.93Å; T222-S224 PolarHBondContact OG1-OG 3.13Å |
| 223 | S | 89.1 | Confident | 93.3 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 30.9 | -171.4 | 41.8 | 0 | 0 | 0 | 0 | 114.1 | Q186 K219 P220 | Q186-S223 VanDerWaalsContact CD-CB 3.49Å; Q186-S223 PolarHBondContact NE2-OG 3.22Å; K219-S223 WeakPolarHBondContact O-CA 3.1Å; K219-S223 PolarHBondContact O-N 3.37Å; P220-S223 PolarHBondContact O-N 2.94Å; P220-S223 VanDerWaalsContact O-N 3.11Å |
| 224 | S | 92.5 | Very high | 93.1 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.5 | -178 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | W218 K219 T222 L226 | W218-S224 WeakPolarHBondContact CA-O 3.39Å; K219-S224 PolarHBondContact N-O 3.21Å; K219-S224 PolarHBondContact O-N 3.03Å; T222-S224 PolarHBondContact O-N 2.93Å; T222-S224 PolarHBondContact OG1-OG 3.13Å; S224-L226 PolarHBondContact O-N 3.26Å |
| 225 | L | 96 | Very high | 92.8 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118.8 | 163.4 | 179.9 | 61.7 | 0 | 0 | 0 | 108.6 | H216 W218 | H216-L225 HydrophobicContact CB-CD1 3.47Å; H216-L225 VanDerWaalsContact CB-CD1 3.47Å; W218-L225 HydrophobicContact CD2-CD1 4.09Å; W218-L225 HydrophobicContact CE3-CB 3.88Å; W218-L225 HydrophobicContact CE3-CD1 3.99Å; W218-L225 HydrophobicContact CH2-CD1 4.16Å; W218-L225 HydrophobicContact CZ2-CD1 4.26Å; W218-L225 HydrophobicContact CZ3-CB 3.74Å; W218-L225 HydrophobicContact CZ3-CD1 4.03Å; W218-L225 HydrophobicContact CZ3-CG 4.39Å |
| 226 | L | 95 | Very high | 92.6 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 44% | 0.44 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -50.8 | 177.9 | -59.7 | -177.3 | 0 | 0 | 0 | 110.8 | L205 I217 K219 S224 | L205-L226 HydrophobicContact CD2-CD1 3.68Å; I217-L226 WeakPolarHBondContact O-CB 3.25Å; I217-L226 PolarHBondContact O-N 3.29Å; K219-L226 HydrophobicContact CB-CD1 4.05Å; K219-L226 HydrophobicContact CB-CD2 4.06Å; K219-L226 HydrophobicContact CB-CG 4.08Å; S224-L226 PolarHBondContact O-N 3.26Å |
| 227 | I | 95.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.5 | -171.9 | -63.4 | 172.4 | 0 | 0 | 0 | 109.9 | I217 L229 C262 | I217-I227 HydrophobicContact CB-CB 4.33Å; I217-I227 PolarHBondContact N-O 3.11Å; I217-I227 PolarHBondContact O-N 3.4Å; I227-L229 HydrophobicContact CG2-CD2 3.49Å; I227-L229 VanDerWaalsContact CG2-CD2 3.49Å; I227-L229 HydrophobicContact CG2-CG 4.27Å; I227-C262 WeakPolarHBondContact CD1-O 3.13Å |
| 228 | Q | 96 | Very high | 91.9 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.8 | 169.3 | -178.9 | 174.5 | 40.2 | 0 | 0 | 110.1 | H216 K230 | H216-Q228 VanDerWaalsContact CD2-CG 3.46Å; H216-Q228 WeakPolarHBondContact CD2-CG 3.24Å; H216-Q228 VanDerWaalsContact NE2-CD 3.27Å; H216-Q228 VanDerWaalsContact NE2-CG 3.33Å; H216-Q228 WeakPolarHBondContact NE2-CG 3.37Å; H216-Q228 PolarHBondContact NE2-NE2 2.99Å; Q228-K230 HydrophobicContact CG-CG 4.15Å; Q228-K230 VanDerWaalsContact OE1-NZ 3.13Å |
| 229 | L | 94.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121 | 177.6 | -47 | 177.2 | 0 | 0 | 0 | 109.6 | T214 I215 I217 I227 L248 W260 G265 | T214-L229 WeakPolarHBondContact CA-O 3.36Å; I215-L229 HydrophobicContact CB-CB 4.07Å; I215-L229 HydrophobicContact CB-CD1 4.05Å; I215-L229 HydrophobicContact CB-CG 4.32Å; I215-L229 HydrophobicContact CD1-CD1 4.41Å; I215-L229 HydrophobicContact CG2-CD1 4.11Å; I215-L229 PolarHBondContact N-O 2.81Å; I215-L229 VanDerWaalsContact N-O 3.08Å; I215-L229 PolarHBondContact O-N 2.86Å; I217-L229 HydrophobicContact CD1-CD1 4.26Å; I227-L229 HydrophobicContact CG2-CD2 3.49Å; I227-L229 VanDerWaalsContact CG2-CD2 3.49Å; I227-L229 HydrophobicContact CG2-CG 4.27Å; L229-L248 HydrophobicContact CD1-CD2 3.73Å; L229-W260 HydrophobicContact CB-CD2 4.17Å; L229-W260 HydrophobicContact CB-CE3 3.87Å; L229-W260 HydrophobicContact CB-CH2 4.46Å; L229-W260 HydrophobicContact CB-CZ3 4.03Å; L229-W260 HydrophobicContact CD1-CB 3.86Å; L229-W260 HydrophobicContact CD1-CD2 4.01Å; L229-W260 HydrophobicContact CD1-CE3 4.38Å; L229-W260 HydrophobicContact CD1-CG 3.76Å; L229-W260 HydrophobicContact CD2-CB 4.43Å; L229-W260 HydrophobicContact CD2-CE3 4.22Å; L229-W260 HydrophobicContact CG-CE3 4.4Å; L229-G265 WeakPolarHBondContact CD2-O 2.89Å |
| 230 | K | 93.6 | Very high | 91.6 | Very high | 137 Ų | 137 | 50.8 Ų | 50.8 | 60% | 0.596 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.2 | 178.6 | -61.3 | -175.9 | -176.4 | 174.8 | 0 | 110.2 | T214 Q228 W260 | T214-K230 HydrophobicContact CG2-CG 4.17Å; Q228-K230 HydrophobicContact CG-CG 4.15Å; Q228-K230 VanDerWaalsContact OE1-NZ 3.13Å; K230-W260 WeakPolarHBondContact O-CH2 3.33Å; K230-W260 WeakPolarHBondContact O-CZ3 3.46Å |
| 231 | G | 87.6 | Confident | 91.7 | Very high | 42 Ų | 42 | 51 Ų | 51 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | trans | 142.8 | -3.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K258 | G231-K258 VanDerWaalsContact O-CE 3.26Å; G231-K258 WeakPolarHBondContact O-CE 3.31Å | ||
| 232 | H | 88.8 | Confident | 91.7 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | trans | -70.1 | 142 | 165.5 | -87.8 | -68.7 | 0 | 0 | 0 | 110.4 | K213 T234 V236 S250 W260 | K213-H232 HydrophobicContact CB-CB 4.38Å; H232-T234 WeakPolarHBondContact CB-O 3.48Å; H232-V236 HydrophobicContact CB-CG2 4.44Å; H232-S250 PolarHBondContact NE2-OG 2.88Å; H232-W260 AromaticContact CD2-CZ2 3.78Å; H232-W260 AromaticContact NE2-CZ2 3.99Å | ||
| 233 | V | 88.3 | Confident | 91.4 | Very high | 102 Ų | 102 | 45.9 Ų | 45.9 | 62% | 0.618 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -90.1 | -30.2 | -180 | -173.7 | 0 | 0 | 0 | 0 | 111 | K213 | K213-V233 WeakPolarHBondContact CD-O 3.4Å; K213-V233 VanDerWaalsContact CE-O 3.29Å; K213-V233 WeakPolarHBondContact CE-O 3.42Å; K213-V233 PolarHBondContact NZ-O 2.87Å |
| 234 | T | 89.8 | Confident | 91.2 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -111.9 | 173.1 | 176.4 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | H232 Y253 S254 | H232-T234 WeakPolarHBondContact CB-O 3.48Å; T234-Y253 PolarHBondContact OG1-N 3.04Å; T234-S254 PolarHBondContact OG1-N 3.08Å |
| 235 | W | 90.7 | Very high | 91.1 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | trans | -56 | 151.5 | 169.4 | 51.2 | 54.6 | 0 | 0 | 0 | 112 | W211 G252 Y253 | W211-W235 HydrophobicContact CB-CB 4.15Å; W211-W235 HydrophobicContact CD2-CD2 4.45Å; W211-W235 AromaticContact CD2-CE3 3.89Å; W211-W235 HydrophobicContact CD2-CE3 3.89Å; W211-W235 HydrophobicContact CD2-CZ3 4.41Å; W211-W235 HydrophobicContact CE3-CE3 4.02Å; W211-W235 HydrophobicContact CE3-CZ3 4.17Å; W211-W235 HydrophobicContact CG-CB 4.02Å; W211-W235 HydrophobicContact CG-CE3 4.19Å; W211-W235 HydrophobicContact CG-CG 4.49Å; W211-W235 HydrophobicContact CZ3-CZ3 4.24Å; W235-G252 WeakPolarHBondContact O-CA 3.3Å; W235-Y253 AromaticContact CD1-CD2 3.33Å; W235-Y253 AromaticContact CD1-CE2 3.77Å; W235-Y253 AromaticContact CD1-CG 3.94Å; W235-Y253 AromaticContact CE2-CD2 3.96Å; W235-Y253 HydrophobicContact CZ2-CD1 4.33Å; W235-Y253 HydrophobicContact CZ2-CE1 4.34Å; W235-Y253 HydrophobicContact CZ2-CG 4.42Å; W235-Y253 AromaticContact NE1-CD1 3.81Å; W235-Y253 AromaticContact NE1-CD2 2.77Å; W235-Y253 AromaticContact NE1-CE2 3.07Å; W235-Y253 AromaticContact NE1-CG 3.12Å; W235-Y253 AromaticContact NE1-CZ 3.76Å | ||
| 236 | V | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.5 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | S196 S210 I215 H232 I239 | S196-V236 VanDerWaalsContact CB-O 3.3Å; S196-V236 WeakPolarHBondContact CB-O 3.49Å; S196-V236 PolarHBondContact OG-O 3.23Å; S210-V236 PolarHBondContact O-N 2.81Å; S210-V236 VanDerWaalsContact O-N 3.11Å; I215-V236 HydrophobicContact CD1-CG1 4.15Å; I215-V236 HydrophobicContact CD1-CG2 4.33Å; I215-V236 HydrophobicContact CG1-CB 4.47Å; I215-V236 HydrophobicContact CG1-CG1 4.07Å; I215-V236 HydrophobicContact CG1-CG2 3.8Å; H232-V236 HydrophobicContact CB-CG2 4.44Å; V236-I239 HydrophobicContact CG1-CG2 3.69Å |
| 237 | K | 90.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 23% | 0.226 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -35.1 | -179.6 | -167.9 | -167.2 | 179.4 | 67.2 | 0 | 112.3 | C197 A251 Y253 V278 A279 | C197-K237 WeakPolarHBondContact CB-O 3.48Å; K237-A251 PolarHBondContact N-O 2.83Å; K237-Y253 HydrophobicContact CB-CD2 4.16Å; K237-Y253 HydrophobicContact CB-CE2 4.1Å; K237-Y253 HydrophobicContact CD-CD2 4.04Å; K237-Y253 HydrophobicContact CD-CE2 3.51Å; K237-Y253 HydrophobicContact CG-CD2 4.38Å; K237-Y253 HydrophobicContact CG-CE2 3.84Å; K237-Y253 PolarHBondContact NZ-OH 2.79Å; K237-V278 HydrophobicContact CD-CG1 4.43Å; K237-A279 VanDerWaalsContact CD-O 3.32Å; K237-A279 WeakPolarHBondContact CD-O 3.34Å |
| 238 | S | 90.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | S250 A251 T281 C282 | S238-S250 CarbonylContact O-C 3.54Å; S238-S250 VanDerWaalsContact O-CA 3.3Å; S238-S250 WeakPolarHBondContact O-CA 3.46Å; S238-A251 PolarHBondContact N-O 3.17Å; S238-A251 VanDerWaalsContact N-O 3.07Å; S238-A251 PolarHBondContact O-N 3.21Å; S238-T281 WeakPolarHBondContact OG-CA 3.4Å; S238-T281 PolarHBondContact OG-OG1 3.47Å; S238-C282 PolarHBondContact OG-N 3.41Å; S238-C282 VanDerWaalsContact OG-N 3.07Å; S238-C282 PolarHBondContact OG-SG 2.59Å |
| 239 | I | 94.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.5 | 176.1 | 55.7 | -179.9 | 0 | 0 | 0 | 108.8 | C197 C199 A207 I215 V236 A249 | C197-I239 HydrophobicContact CB-CG1 4.29Å; C199-I239 HydrophobicContact CB-CD1 4.11Å; C199-I239 HydrophobicContact CB-CG1 3.83Å; A207-I239 VanDerWaalsContact C-CD1 3.49Å; A207-I239 HydrophobicContact CB-CD1 3.72Å; A207-I239 VanDerWaalsContact O-CD1 3.22Å; A207-I239 WeakPolarHBondContact O-CD1 3.41Å; I215-I239 HydrophobicContact CD1-CG2 3.93Å; I215-I239 HydrophobicContact CG1-CG2 4.33Å; I215-I239 HydrophobicContact CG2-CG2 4.47Å; V236-I239 HydrophobicContact CG1-CG2 3.69Å; I239-A249 CarbonylContact C-O 3.53Å; I239-A249 VanDerWaalsContact CA-O 3.3Å; I239-A249 WeakPolarHBondContact CA-O 3.23Å |
| 240 | A | 92.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 137.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L248 A249 C282 F284 | A240-L248 WeakPolarHBondContact O-CA 3.48Å; A240-L248 WeakPolarHBondContact O-CD1 3.45Å; A240-A249 PolarHBondContact N-O 2.97Å; A240-A249 PolarHBondContact O-N 2.6Å; A240-C282 VanDerWaalsContact CB-O 3.23Å; A240-C282 WeakPolarHBondContact CB-O 3.44Å; A240-F284 HydrophobicContact CB-CD2 4.22Å; A240-F284 WeakPolarHBondContact O-CE2 3.47Å |
| 241 | F | 91.7 | Very high | 89.6 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 146.1 | 169.1 | -77.9 | -78 | 0 | 0 | 0 | 111.1 | C199 L205 A207 I217 L248 F284 | C199-F241 WeakPolarHBondContact O-CE2 3.33Å; L205-F241 HydrophobicContact CB-CZ 4.43Å; A207-F241 HydrophobicContact CB-CD2 4.5Å; A207-F241 HydrophobicContact CB-CE2 3.5Å; A207-F241 HydrophobicContact CB-CZ 3.68Å; I217-F241 HydrophobicContact CD1-CE1 4.49Å; I217-F241 HydrophobicContact CG2-CZ 4.45Å; F241-L248 HydrophobicContact CB-CD1 4.49Å; F241-L248 HydrophobicContact CD1-CD1 3.65Å; F241-L248 HydrophobicContact CD2-CD1 3.88Å; F241-L248 HydrophobicContact CE1-CD1 3.73Å; F241-L248 HydrophobicContact CE2-CD1 3.95Å; F241-L248 HydrophobicContact CG-CD1 3.73Å; F241-L248 HydrophobicContact CZ-CD1 3.89Å; F241-F284 VanDerWaalsContact C-CD2 3.41Å; F241-F284 WeakPolarHBondContact O-CD2 3.29Å |
| 242 | S | 88.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | trans | -68.1 | 154.8 | 163.8 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | D244 E245 L246 W247 | S242-D244 WeakPolarHBondContact CB-OD1 3.32Å; S242-D244 PolarHBondContact O-N 3.34Å; S242-D244 VanDerWaalsContact O-N 3.16Å; S242-D244 PolarHBondContact OG-OD1 3.41Å; S242-E245 WeakPolarHBondContact O-CA 3.28Å; S242-E245 PolarHBondContact O-N 3.29Å; S242-E245 PolarHBondContact OG-N 3.35Å; S242-L246 PolarHBondContact OG-N 2.84Å; S242-W247 PolarHBondContact N-O 3.39Å; S242-W247 PolarHBondContact OG-N 3.35Å; S242-W247 PolarHBondContact OG-O 2.87Å; S242-W247 VanDerWaalsContact OG-O 3.08Å | ||
| 243 | P | 82.6 | Confident | 88.9 | Confident | 72 Ų | 72 | 37 Ų | 37 | 47% | 0.468 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.7 | -179.5 | -24.9 | 34.7 | 0 | 0 | 0 | 114.1 | F284 T285 | P243-F284 HydrophobicContact CG-CB 4.45Å; P243-T285 WeakPolarHBondContact CG-O 3.44Å |
| 244 | D | 85.2 | Confident | 88.3 | Confident | 85 Ų | 85 | 33 Ų | 33 | 46% | 0.455 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -2 | 175.9 | 63.2 | 0.8 | 0 | 0 | 0 | 113.6 | S242 L246 | S242-D244 WeakPolarHBondContact CB-OD1 3.32Å; S242-D244 PolarHBondContact O-N 3.34Å; S242-D244 VanDerWaalsContact O-N 3.16Å; S242-D244 PolarHBondContact OG-OD1 3.41Å; D244-L246 HydrophobicContact CB-CG 4.3Å; D244-L246 PolarHBondContact O-N 2.75Å; D244-L246 PolarHBondContact OD1-N 3.45Å |
| 245 | E | 89.4 | Confident | 87.4 | Confident | 36 Ų | 36 | 38.2 Ų | 38.2 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 60.3 | 6 | -179.5 | -53.3 | -174.4 | -163.8 | 0 | 0 | 116.1 | S201 A202 S203 S242 W247 C262 | S201-E245 VanDerWaalsContact CB-CD 3.42Å; S201-E245 VanDerWaalsContact CB-OE2 3.3Å; S201-E245 WeakPolarHBondContact CB-OE2 3.27Å; S201-E245 VanDerWaalsContact OG-CD 3.26Å; S201-E245 PolarHBondContact OG-OE1 2.79Å; S201-E245 PolarHBondContact OG-OE2 3.37Å; A202-E245 VanDerWaalsContact CA-OE1 3.28Å; A202-E245 WeakPolarHBondContact CA-OE1 3.47Å; A202-E245 VanDerWaalsContact CB-OE1 3.29Å; A202-E245 WeakPolarHBondContact CB-OE1 3.44Å; A202-E245 PolarHBondContact N-OE1 2.81Å; S203-E245 WeakPolarHBondContact CB-OE1 3.36Å; S203-E245 VanDerWaalsContact CB-OE2 3.32Å; S203-E245 WeakPolarHBondContact CB-OE2 3.3Å; S203-E245 PolarHBondContact N-OE1 3.4Å; S203-E245 PolarHBondContact OG-OE1 3.06Å; S203-E245 PolarHBondContact OG-OE2 2.74Å; S242-E245 WeakPolarHBondContact O-CA 3.28Å; S242-E245 PolarHBondContact O-N 3.29Å; S242-E245 PolarHBondContact OG-N 3.35Å; E245-W247 VanDerWaalsContact C-N 3.26Å; E245-W247 PolarHBondContact O-N 2.82Å; E245-C262 VanDerWaalsContact O-CB 3.25Å; E245-C262 WeakPolarHBondContact O-CB 3.47Å; E245-C262 PolarHBondContact O-SG 2.86Å |
| 246 | L | 87.8 | Confident | 86.7 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 41% | 0.408 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -71.7 | -28.2 | 177.8 | -62.7 | -178.7 | 0 | 0 | 0 | 111.4 | S242 D244 C262 | S242-L246 PolarHBondContact OG-N 2.84Å; D244-L246 HydrophobicContact CB-CG 4.3Å; D244-L246 PolarHBondContact O-N 2.75Å; D244-L246 PolarHBondContact OD1-N 3.45Å; L246-C262 PolarHBondContact O-N 2.77Å |
| 247 | W | 91.2 | Very high | 86.2 | Confident | 65 Ų | 65 | 36.4 Ų | 36.4 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.2 | -176.3 | -52.8 | -35.7 | 0 | 0 | 0 | 113.1 | L9 S242 E245 V259 W260 L268 F284 | L9-W247 HydrophobicContact CD1-CZ3 4.34Å; S242-W247 PolarHBondContact N-O 3.39Å; S242-W247 PolarHBondContact OG-N 3.35Å; S242-W247 PolarHBondContact OG-O 2.87Å; S242-W247 VanDerWaalsContact OG-O 3.08Å; E245-W247 VanDerWaalsContact C-N 3.26Å; E245-W247 PolarHBondContact O-N 2.82Å; W247-V259 HydrophobicContact CB-CG1 3.97Å; W247-V259 HydrophobicContact CG-CG1 4.23Å; W247-W260 CarbonylContact C-O 3.55Å; W247-W260 WeakPolarHBondContact CA-O 3.42Å; W247-L268 HydrophobicContact CG-CD1 4.42Å; W247-F284 HydrophobicContact CB-CZ 4.36Å |
| 248 | L | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.1 | 167.6 | -168.8 | 80.5 | 0 | 0 | 0 | 108.1 | A207 I215 L229 A240 F241 V259 W260 C262 | A207-L248 HydrophobicContact CB-CD1 4.05Å; A207-L248 HydrophobicContact CB-CD2 4.33Å; I215-L248 HydrophobicContact CD1-CD2 4.21Å; I215-L248 HydrophobicContact CG2-CD2 3.76Å; L229-L248 HydrophobicContact CD1-CD2 3.73Å; A240-L248 WeakPolarHBondContact O-CA 3.48Å; A240-L248 WeakPolarHBondContact O-CD1 3.45Å; F241-L248 HydrophobicContact CB-CD1 4.49Å; F241-L248 HydrophobicContact CD1-CD1 3.65Å; F241-L248 HydrophobicContact CD2-CD1 3.88Å; F241-L248 HydrophobicContact CE1-CD1 3.73Å; F241-L248 HydrophobicContact CE2-CD1 3.95Å; F241-L248 HydrophobicContact CG-CD1 3.73Å; F241-L248 HydrophobicContact CZ-CD1 3.89Å; L248-V259 CarbonylContact O-C 3.54Å; L248-V259 WeakPolarHBondContact O-CA 3.44Å; L248-W260 HydrophobicContact CB-CB 4.35Å; L248-W260 PolarHBondContact N-O 2.8Å; L248-W260 VanDerWaalsContact O-CD1 3.26Å; L248-W260 PolarHBondContact O-N 2.85Å; L248-C262 PolarHBondContact N-SG 3.26Å |
| 249 | A | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 140.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I239 A240 K258 C282 F284 I290 | I239-A249 CarbonylContact C-O 3.53Å; I239-A249 VanDerWaalsContact CA-O 3.3Å; I239-A249 WeakPolarHBondContact CA-O 3.23Å; A240-A249 PolarHBondContact N-O 2.97Å; A240-A249 PolarHBondContact O-N 2.6Å; A249-K258 CarbonylContact C-O 3.53Å; A249-K258 WeakPolarHBondContact CA-O 3.4Å; A249-C282 HydrophobicContact CB-CB 4.4Å; A249-F284 HydrophobicContact CB-CD2 4.31Å; A249-F284 HydrophobicContact CB-CE2 3.43Å; A249-F284 VanDerWaalsContact CB-CE2 3.43Å; A249-F284 HydrophobicContact CB-CZ 3.84Å; A249-I290 HydrophobicContact CB-CD1 4.18Å; A249-I290 HydrophobicContact CB-CG1 4.41Å; A249-I290 HydrophobicContact CB-CG2 4.3Å |
| 250 | S | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.1 | 172.4 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | I215 H232 S238 V257 K258 W260 | I215-S250 VanDerWaalsContact CD1-OG 3.22Å; I215-S250 WeakPolarHBondContact CD1-OG 3.28Å; H232-S250 PolarHBondContact NE2-OG 2.88Å; S238-S250 CarbonylContact O-C 3.54Å; S238-S250 VanDerWaalsContact O-CA 3.3Å; S238-S250 WeakPolarHBondContact O-CA 3.46Å; S250-V257 CarbonylContact O-C 3.56Å; S250-V257 WeakPolarHBondContact O-CA 3.13Å; S250-K258 PolarHBondContact N-O 2.77Å; S250-K258 PolarHBondContact O-N 3.35Å; S250-W260 PolarHBondContact OG-NE1 2.91Å |
| 251 | A | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K237 S238 V257 A279 C282 | K237-A251 PolarHBondContact N-O 2.83Å; S238-A251 PolarHBondContact N-O 3.17Å; S238-A251 VanDerWaalsContact N-O 3.07Å; S238-A251 PolarHBondContact O-N 3.21Å; A251-V257 HydrophobicContact CB-CG2 4.11Å; A251-A279 HydrophobicContact CB-CB 3.68Å; A251-C282 HydrophobicContact CB-CB 4.47Å |
| 252 | G | 83.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -164.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W235 S254 | W235-G252 WeakPolarHBondContact O-CA 3.3Å; G252-S254 VanDerWaalsContact C-N 3.25Å |
| 253 | Y | 77.6 | Confident | 85.8 | Confident | 99 Ų | 99 | 40.2 Ų | 40.2 | 39% | 0.388 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -81.7 | -8.3 | 171.2 | -84.4 | -122.5 | 0 | 0 | 0 | 112.8 | T234 W235 K237 V278 | T234-Y253 PolarHBondContact OG1-N 3.04Å; W235-Y253 AromaticContact CD1-CD2 3.33Å; W235-Y253 AromaticContact CD1-CE2 3.77Å; W235-Y253 AromaticContact CD1-CG 3.94Å; W235-Y253 AromaticContact CE2-CD2 3.96Å; W235-Y253 HydrophobicContact CZ2-CD1 4.33Å; W235-Y253 HydrophobicContact CZ2-CE1 4.34Å; W235-Y253 HydrophobicContact CZ2-CG 4.42Å; W235-Y253 AromaticContact NE1-CD1 3.81Å; W235-Y253 AromaticContact NE1-CD2 2.77Å; W235-Y253 AromaticContact NE1-CE2 3.07Å; W235-Y253 AromaticContact NE1-CG 3.12Å; W235-Y253 AromaticContact NE1-CZ 3.76Å; K237-Y253 HydrophobicContact CB-CD2 4.16Å; K237-Y253 HydrophobicContact CB-CE2 4.1Å; K237-Y253 HydrophobicContact CD-CD2 4.04Å; K237-Y253 HydrophobicContact CD-CE2 3.51Å; K237-Y253 HydrophobicContact CG-CD2 4.38Å; K237-Y253 HydrophobicContact CG-CE2 3.84Å; K237-Y253 PolarHBondContact NZ-OH 2.79Å; Y253-V278 HydrophobicContact CD1-CG1 4.08Å; Y253-V278 HydrophobicContact CD1-CG2 4.05Å; Y253-V278 HydrophobicContact CD2-CG1 4.29Å; Y253-V278 HydrophobicContact CE1-CG1 4.2Å; Y253-V278 HydrophobicContact CE1-CG2 4.49Å; Y253-V278 HydrophobicContact CE2-CG1 4.49Å; Y253-V278 HydrophobicContact CG-CG1 4.16Å |
| 254 | S | 75.6 | Confident | 86.1 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -67 | 154 | 161.9 | 75.1 | 0 | 0 | 0 | 0 | 110.5 | T234 G252 M256 | T234-S254 PolarHBondContact OG1-N 3.08Å; G252-S254 VanDerWaalsContact C-N 3.25Å; S254-M256 PolarHBondContact O-N 2.91Å |
| 255 | R | 70.1 | Confident | 86.3 | Confident | 149 Ų | 149 | 37.5 Ų | 37.5 | 56% | 0.562 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -69.6 | 24.8 | 173.5 | -52.4 | -175.5 | -174.9 | 145.4 | 0.6 | 113.9 | Q273 L276 D277 | R255-Q273 PolarHBondContact O-N 3.48Å; R255-L276 WeakPolarHBondContact CG-O 3.42Å; R255-D277 IonicContact CZ-OD1 3.96Å; R255-D277 IonicContact NE-OD1 3.41Å; R255-D277 PolarHBondContact NE-OD1 3.42Å; R255-D277 IonicContact NH2-OD1 3.63Å; R255-D277 PolarHBondContact NH2-OD1 2.99Å |
| 256 | M | 76.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 42.8 Ų | 42.8 | 26% | 0.261 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.3 | -171.5 | -55.1 | -168.9 | -167.4 | 0 | 0 | 110.6 | S254 T270 L271 K272 | S254-M256 PolarHBondContact O-N 2.91Å; M256-T270 HydrophobicContact CB-CG2 4.03Å; M256-T270 HydrophobicContact CG-CG2 4.13Å; M256-T270 HydrophobicContact SD-CG2 3.54Å; M256-T270 VanDerWaalsContact SD-CG2 3.54Å; M256-L271 WeakPolarHBondContact CA-O 3.41Å; M256-K272 HydrophobicContact CE-CG 4.35Å; M256-K272 HydrophobicContact CG-CG 4.32Å; M256-K272 HydrophobicContact SD-CG 4.46Å |
| 257 | V | 83.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.7 | 162.2 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | S250 A251 L271 A279 V292 | S250-V257 CarbonylContact O-C 3.56Å; S250-V257 WeakPolarHBondContact O-CA 3.13Å; A251-V257 HydrophobicContact CB-CG2 4.11Å; V257-L271 HydrophobicContact CB-CB 4.37Å; V257-L271 PolarHBondContact N-O 3.26Å; V257-L271 PolarHBondContact O-N 3.48Å; V257-A279 HydrophobicContact CG2-CB 4.5Å; V257-V292 HydrophobicContact CG1-CG2 4.27Å; V257-V292 HydrophobicContact CG2-CG1 3.82Å; V257-V292 HydrophobicContact CG2-CG2 3.93Å |
| 258 | K | 86.9 | Confident | 86.1 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 10% | 0.1 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.4 | 179.3 | -71.8 | -179.6 | 170.3 | -74.7 | 0 | 109.9 | G231 A249 S250 W260 E269 T270 | G231-K258 VanDerWaalsContact O-CE 3.26Å; G231-K258 WeakPolarHBondContact O-CE 3.31Å; A249-K258 CarbonylContact C-O 3.53Å; A249-K258 WeakPolarHBondContact CA-O 3.4Å; S250-K258 PolarHBondContact N-O 2.77Å; S250-K258 PolarHBondContact O-N 3.35Å; K258-W260 HydrophobicContact CB-CZ2 3.79Å; K258-W260 HydrophobicContact CD-CH2 3.92Å; K258-W260 HydrophobicContact CD-CZ2 3.4Å; K258-W260 HydrophobicContact CG-CZ2 4.23Å; K258-E269 WeakPolarHBondContact CA-O 3.25Å; K258-T270 HydrophobicContact CG-CG2 4.22Å; K258-T270 PolarHBondContact NZ-OG1 3.33Å |
| 259 | V | 88.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.8 | 171.5 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | W247 L248 L268 E269 I290 | W247-V259 HydrophobicContact CB-CG1 3.97Å; W247-V259 HydrophobicContact CG-CG1 4.23Å; L248-V259 CarbonylContact O-C 3.54Å; L248-V259 WeakPolarHBondContact O-CA 3.44Å; V259-L268 PolarHBondContact O-N 3.01Å; V259-E269 HydrophobicContact CB-CB 4.29Å; V259-E269 HydrophobicContact CG2-CB 4.45Å; V259-E269 PolarHBondContact N-O 2.91Å; V259-E269 PolarHBondContact O-N 3.21Å; V259-I290 HydrophobicContact CG2-CD1 3.41Å; V259-I290 VanDerWaalsContact CG2-CD1 3.41Å |
| 260 | W | 91.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145 | -174.6 | -49.2 | 82.9 | 0 | 0 | 0 | 109.5 | L229 K230 H232 W247 L248 S250 K258 K266 C267 | L229-W260 HydrophobicContact CB-CD2 4.17Å; L229-W260 HydrophobicContact CB-CE3 3.87Å; L229-W260 HydrophobicContact CB-CH2 4.46Å; L229-W260 HydrophobicContact CB-CZ3 4.03Å; L229-W260 HydrophobicContact CD1-CB 3.86Å; L229-W260 HydrophobicContact CD1-CD2 4.01Å; L229-W260 HydrophobicContact CD1-CE3 4.38Å; L229-W260 HydrophobicContact CD1-CG 3.76Å; L229-W260 HydrophobicContact CD2-CB 4.43Å; L229-W260 HydrophobicContact CD2-CE3 4.22Å; L229-W260 HydrophobicContact CG-CE3 4.4Å; K230-W260 WeakPolarHBondContact O-CH2 3.33Å; K230-W260 WeakPolarHBondContact O-CZ3 3.46Å; H232-W260 AromaticContact CD2-CZ2 3.78Å; H232-W260 AromaticContact NE2-CZ2 3.99Å; W247-W260 CarbonylContact C-O 3.55Å; W247-W260 WeakPolarHBondContact CA-O 3.42Å; L248-W260 HydrophobicContact CB-CB 4.35Å; L248-W260 PolarHBondContact N-O 2.8Å; L248-W260 VanDerWaalsContact O-CD1 3.26Å; L248-W260 PolarHBondContact O-N 2.85Å; S250-W260 PolarHBondContact OG-NE1 2.91Å; K258-W260 HydrophobicContact CB-CZ2 3.79Å; K258-W260 HydrophobicContact CD-CH2 3.92Å; K258-W260 HydrophobicContact CD-CZ2 3.4Å; K258-W260 HydrophobicContact CG-CZ2 4.23Å; W260-K266 WeakPolarHBondContact CA-O 3.2Å; W260-C267 HydrophobicContact CD2-CB 4.43Å; W260-C267 HydrophobicContact CE3-CB 3.78Å; W260-C267 HydrophobicContact CH2-CB 4.33Å; W260-C267 HydrophobicContact CZ3-CB 3.71Å |
| 261 | D | 90.8 | Very high | 84.3 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.7 | 167.1 | -179 | -66.2 | 0 | 0 | 0 | 109.1 | N263 T264 G265 K266 L268 | D261-N263 PolarHBondContact O-N 2.8Å; D261-N263 WeakPolarHBondContact OD1-CA 3.37Å; D261-N263 WeakPolarHBondContact OD1-CB 3.44Å; D261-N263 PolarHBondContact OD1-N 2.83Å; D261-T264 WeakPolarHBondContact CB-OG1 3.31Å; D261-T264 VanDerWaalsContact CG-OG1 3.23Å; D261-T264 PolarHBondContact OD1-N 2.93Å; D261-T264 PolarHBondContact OD1-OG1 3.08Å; D261-G265 VanDerWaalsContact O-CA 3.26Å; D261-G265 WeakPolarHBondContact O-CA 3.43Å; D261-G265 PolarHBondContact O-N 3.31Å; D261-K266 PolarHBondContact N-O 2.78Å; D261-L268 HydrophobicContact CB-CD1 3.95Å; D261-L268 HydrophobicContact CB-CD2 4.04Å; D261-L268 HydrophobicContact CB-CG 3.94Å |
| 262 | C | 89.9 | Confident | 83.5 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -9.6 | -176.3 | -68.1 | 0 | 0 | 0 | 0 | 114 | I217 I227 E245 L246 L248 | I217-C262 HydrophobicContact CD1-CB 4.38Å; I227-C262 WeakPolarHBondContact CD1-O 3.13Å; E245-C262 VanDerWaalsContact O-CB 3.25Å; E245-C262 WeakPolarHBondContact O-CB 3.47Å; E245-C262 PolarHBondContact O-SG 2.86Å; L246-C262 PolarHBondContact O-N 2.77Å; L248-C262 PolarHBondContact N-SG 3.26Å |
| 263 | N | 89 | Confident | 82.4 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -38 | 179.4 | -63.5 | -50.6 | 0 | 0 | 0 | 111.4 | D261 | D261-N263 PolarHBondContact O-N 2.8Å; D261-N263 WeakPolarHBondContact OD1-CA 3.37Å; D261-N263 WeakPolarHBondContact OD1-CB 3.44Å; D261-N263 PolarHBondContact OD1-N 2.83Å |
| 264 | T | 90.1 | Very high | 81.2 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -18.5 | -174.2 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | D261 K266 | D261-T264 WeakPolarHBondContact CB-OG1 3.31Å; D261-T264 VanDerWaalsContact CG-OG1 3.23Å; D261-T264 PolarHBondContact OD1-N 2.93Å; D261-T264 PolarHBondContact OD1-OG1 3.08Å; T264-K266 PolarHBondContact O-N 3.21Å; T264-K266 PolarHBondContact OG1-N 3.3Å |
| 265 | G | 89.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | trans | 71.8 | 7.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L229 D261 | L229-G265 WeakPolarHBondContact CD2-O 2.89Å; D261-G265 VanDerWaalsContact O-CA 3.26Å; D261-G265 WeakPolarHBondContact O-CA 3.43Å; D261-G265 PolarHBondContact O-N 3.31Å | ||
| 266 | K | 90 | Very high | 79.8 | Confident | 148 Ų | 148 | 49.1 Ų | 49.1 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | trans | -76.7 | 139.3 | 179.7 | -68.5 | -176.2 | 179.2 | 179.2 | 0 | 111 | W260 D261 T264 L268 | W260-K266 WeakPolarHBondContact CA-O 3.2Å; D261-K266 PolarHBondContact N-O 2.78Å; T264-K266 PolarHBondContact O-N 3.21Å; T264-K266 PolarHBondContact OG1-N 3.3Å; K266-L268 PolarHBondContact O-N 2.85Å | ||
| 267 | C | 89.8 | Confident | 79 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 35% | 0.345 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 112.4 | 167.9 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | W260 E269 | W260-C267 HydrophobicContact CD2-CB 4.43Å; W260-C267 HydrophobicContact CE3-CB 3.78Å; W260-C267 HydrophobicContact CH2-CB 4.33Å; W260-C267 HydrophobicContact CZ3-CB 3.71Å; C267-E269 PolarHBondContact SG-O 3.11Å; C267-E269 VanDerWaalsContact SG-O 3.37Å |
| 268 | L | 84.5 | Confident | 78.1 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -46.7 | 178.4 | -63.7 | 176.9 | 0 | 0 | 0 | 110.9 | W247 V259 D261 K266 | W247-L268 HydrophobicContact CG-CD1 4.42Å; V259-L268 PolarHBondContact O-N 3.01Å; D261-L268 HydrophobicContact CB-CD1 3.95Å; D261-L268 HydrophobicContact CB-CD2 4.04Å; D261-L268 HydrophobicContact CB-CG 3.94Å; K266-L268 PolarHBondContact O-N 2.85Å |
| 269 | E | 80.2 | Confident | 77.2 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.3 | -176.9 | -66.8 | -165 | -179.2 | 0 | 0 | 112.4 | T8 L9 K258 V259 C267 | T8-E269 WeakPolarHBondContact CA-OE1 3.48Å; T8-E269 WeakPolarHBondContact CG2-OE1 3.47Å; L9-E269 WeakPolarHBondContact CB-OE2 3.46Å; L9-E269 PolarHBondContact N-OE1 3.12Å; L9-E269 PolarHBondContact N-OE2 3.23Å; K258-E269 WeakPolarHBondContact CA-O 3.25Å; V259-E269 HydrophobicContact CB-CB 4.29Å; V259-E269 HydrophobicContact CG2-CB 4.45Å; V259-E269 PolarHBondContact N-O 2.91Å; V259-E269 PolarHBondContact O-N 3.21Å; C267-E269 PolarHBondContact SG-O 3.11Å; C267-E269 VanDerWaalsContact SG-O 3.37Å |
| 270 | T | 81 | Confident | 76.4 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 102.2 | 169.2 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | M256 K258 K272 | M256-T270 HydrophobicContact CB-CG2 4.03Å; M256-T270 HydrophobicContact CG-CG2 4.13Å; M256-T270 HydrophobicContact SD-CG2 3.54Å; M256-T270 VanDerWaalsContact SD-CG2 3.54Å; K258-T270 HydrophobicContact CG-CG2 4.22Å; K258-T270 PolarHBondContact NZ-OG1 3.33Å; T270-K272 PolarHBondContact O-N 2.95Å |
| 271 | L | 73.3 | Confident | 75.4 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 102.5 | 177.8 | -58.5 | 174.5 | 0 | 0 | 0 | 108.6 | L9 V11 M256 V257 Q273 | L9-L271 VanDerWaalsContact O-CD2 3.23Å; L9-L271 WeakPolarHBondContact O-CD2 3.41Å; V11-L271 HydrophobicContact CG2-CB 4.39Å; V11-L271 HydrophobicContact CG2-CD1 4.28Å; V11-L271 HydrophobicContact CG2-CD2 4.3Å; M256-L271 WeakPolarHBondContact CA-O 3.41Å; V257-L271 HydrophobicContact CB-CB 4.37Å; V257-L271 PolarHBondContact N-O 3.26Å; V257-L271 PolarHBondContact O-N 3.48Å; L271-Q273 PolarHBondContact O-N 3.34Å |
| 272 | K | 70.1 | Confident | 74.8 | Confident | 163 Ų | 163 | 51.2 Ų | 51.2 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 100.2 | 168.7 | -69 | -177.3 | -177.9 | 178 | 0 | 108.3 | M256 T270 G274 | M256-K272 HydrophobicContact CE-CG 4.35Å; M256-K272 HydrophobicContact CG-CG 4.32Å; M256-K272 HydrophobicContact SD-CG 4.46Å; T270-K272 PolarHBondContact O-N 2.95Å; K272-G274 PolarHBondContact O-N 2.95Å |
| 273 | Q | 61.5 | Low | 74.1 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | trans | -83.7 | 106.3 | 173 | -74.5 | -171.7 | 3.1 | 0 | 0 | 108.8 | V11 R255 L271 V275 L276 | V11-Q273 HydrophobicContact CG2-CG 4.17Å; R255-Q273 PolarHBondContact O-N 3.48Å; L271-Q273 PolarHBondContact O-N 3.34Å; Q273-V275 PolarHBondContact O-N 2.73Å; Q273-L276 VanDerWaalsContact OE1-CG 3.28Å | ||
| 274 | G | 53.3 | Low | 73.3 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 50% | 0.495 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 14.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K272 R300 | K272-G274 PolarHBondContact O-N 2.95Å; G274-R300 PolarHBondContact O-NH1 2.98Å |
| 275 | V | 55.8 | Low | 72.4 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -30.7 | -168 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | V14 F16 Q273 | V14-V275 HydrophobicContact CG1-CG1 4.11Å; F16-V275 HydrophobicContact CE1-CG1 3.41Å; F16-V275 VanDerWaalsContact CE1-CG1 3.41Å; F16-V275 HydrophobicContact CE2-CG1 4.41Å; F16-V275 HydrophobicContact CZ-CG1 3.21Å; Q273-V275 PolarHBondContact O-N 2.73Å |
| 276 | L | 60 | Low | 71.4 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.3 | 176.9 | -60 | -176.3 | 0 | 0 | 0 | 109.4 | R255 Q273 V292 A295 A296 | R255-L276 WeakPolarHBondContact CG-O 3.42Å; Q273-L276 VanDerWaalsContact OE1-CG 3.28Å; L276-V292 HydrophobicContact CD1-CG1 4.01Å; L276-A295 WeakPolarHBondContact CA-O 3.35Å; L276-A296 HydrophobicContact CD2-CB 4.47Å |
| 277 | D | 60.1 | Low | 70.4 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -37.5 | 173.1 | -151 | 28.6 | 0 | 0 | 0 | 110.6 | R255 A295 | R255-D277 IonicContact CZ-OD1 3.96Å; R255-D277 IonicContact NE-OD1 3.41Å; R255-D277 PolarHBondContact NE-OD1 3.42Å; R255-D277 IonicContact NH2-OD1 3.63Å; R255-D277 PolarHBondContact NH2-OD1 2.99Å; D277-A295 PolarHBondContact N-O 2.97Å |
| 278 | V | 65.2 | Low | 69.4 | Low | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.1 | 173.3 | -179 | 0 | 0 | 0 | 0 | 109.2 | K237 Y253 G294 A295 | K237-V278 HydrophobicContact CD-CG1 4.43Å; Y253-V278 HydrophobicContact CD1-CG1 4.08Å; Y253-V278 HydrophobicContact CD1-CG2 4.05Å; Y253-V278 HydrophobicContact CD2-CG1 4.29Å; Y253-V278 HydrophobicContact CE1-CG1 4.2Å; Y253-V278 HydrophobicContact CE1-CG2 4.49Å; Y253-V278 HydrophobicContact CE2-CG1 4.49Å; Y253-V278 HydrophobicContact CG-CG1 4.16Å; V278-G294 CarbonylContact O-C 3.56Å; V278-G294 WeakPolarHBondContact O-CA 3.24Å; V278-A295 PolarHBondContact O-N 2.98Å |
| 279 | A | 67.9 | Low | 68.9 | Low | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K237 A251 V257 V292 S293 | K237-A279 VanDerWaalsContact CD-O 3.32Å; K237-A279 WeakPolarHBondContact CD-O 3.34Å; A251-A279 HydrophobicContact CB-CB 3.68Å; V257-A279 HydrophobicContact CG2-CB 4.5Å; A279-V292 HydrophobicContact CB-CG1 3.95Å; A279-S293 CarbonylContact C-O 3.54Å; A279-S293 WeakPolarHBondContact CA-O 3.46Å |
| 280 | H | 71.3 | Confident | 68.6 | Low | 28 Ų | 28 | 46.1 Ų | 46.1 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -48.8 | -179.1 | -66.2 | -65.6 | 0 | 0 | 0 | 112.2 | V24 S293 G294 A295 | V24-H280 PolarHBondContact O-CE1 2.81Å; V24-H280 PolarHBondContact O-ND1 3.46Å; V24-H280 PolarHBondContact O-NE2 3.41Å; H280-S293 PolarHBondContact N-O 3.1Å; H280-G294 VanDerWaalsContact CD2-CA 3.41Å; H280-G294 WeakPolarHBondContact CD2-CA 3.4Å; H280-A295 PolarHBondContact CD2-N 3.39Å; H280-A295 PolarHBondContact NE2-N 3.05Å |
| 281 | T | 71.3 | Confident | 68.1 | Low | 24 Ų | 24 | 45.5 Ų | 45.5 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.3 | 174.2 | -158.4 | 0 | 0 | 0 | 0 | 111.8 | S27 S238 V292 S293 | S27-T281 WeakPolarHBondContact O-CB 3.48Å; S27-T281 WeakPolarHBondContact O-CG2 3.49Å; S27-T281 WeakPolarHBondContact OG-CG2 3.46Å; S238-T281 WeakPolarHBondContact OG-CA 3.4Å; S238-T281 PolarHBondContact OG-OG1 3.47Å; T281-V292 WeakPolarHBondContact O-CA 3.15Å; T281-S293 WeakPolarHBondContact CG2-OG 3.31Å; T281-S293 PolarHBondContact N-O 3.16Å; T281-S293 PolarHBondContact N-OG 2.78Å; T281-S293 PolarHBondContact O-N 3.43Å |
| 282 | C | 77.5 | Confident | 68 | Low | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.7 | 161.7 | 57 | 0 | 0 | 0 | 0 | 108.1 | S238 A240 A249 A251 L291 | S238-C282 PolarHBondContact OG-N 3.41Å; S238-C282 VanDerWaalsContact OG-N 3.07Å; S238-C282 PolarHBondContact OG-SG 2.59Å; A240-C282 VanDerWaalsContact CB-O 3.23Å; A240-C282 WeakPolarHBondContact CB-O 3.44Å; A249-C282 HydrophobicContact CB-CB 4.4Å; A251-C282 HydrophobicContact CB-CB 4.47Å; C282-L291 CarbonylContact C-O 3.58Å; C282-L291 VanDerWaalsContact CA-O 3.31Å; C282-L291 WeakPolarHBondContact CA-O 3.23Å |
| 283 | A | 75 | Confident | 68.1 | Low | 23 Ų | 23 | 39 Ų | 39 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F29 L291 | F29-A283 HydrophobicContact CD2-CB 3.88Å; F29-A283 HydrophobicContact CE2-CB 4.49Å; A283-L291 PolarHBondContact N-O 2.86Å; A283-L291 PolarHBondContact O-N 3.27Å |
| 284 | F | 72.9 | Confident | 68.6 | Low | 29 Ų | 29 | 39.1 Ų | 39.1 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141 | 167.5 | -76.8 | -94.2 | 0 | 0 | 0 | 110.4 | A240 F241 P243 W247 A249 K289 I290 | A240-F284 HydrophobicContact CB-CD2 4.22Å; A240-F284 WeakPolarHBondContact O-CE2 3.47Å; F241-F284 VanDerWaalsContact C-CD2 3.41Å; F241-F284 WeakPolarHBondContact O-CD2 3.29Å; P243-F284 HydrophobicContact CG-CB 4.45Å; W247-F284 HydrophobicContact CB-CZ 4.36Å; A249-F284 HydrophobicContact CB-CD2 4.31Å; A249-F284 HydrophobicContact CB-CE2 3.43Å; A249-F284 VanDerWaalsContact CB-CE2 3.43Å; A249-F284 HydrophobicContact CB-CZ 3.84Å; F284-K289 CarbonylContact C-O 3.47Å; F284-K289 VanDerWaalsContact CA-O 3.31Å; F284-K289 WeakPolarHBondContact CA-O 3.36Å; F284-I290 HydrophobicContact CD1-CG1 3.72Å; F284-I290 HydrophobicContact CE1-CD1 3.87Å; F284-I290 HydrophobicContact CE1-CG1 3.23Å; F284-I290 HydrophobicContact CE2-CG1 4.26Å; F284-I290 HydrophobicContact CG-CG1 4.42Å; F284-I290 HydrophobicContact CZ-CD1 3.85Å; F284-I290 HydrophobicContact CZ-CG1 3.55Å |
| 285 | T | 71.3 | Confident | 69.4 | Low | 22 Ų | 22 | 38.9 Ų | 38.9 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | trans | -76.5 | 160.8 | 164 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | P243 D287 G288 K289 L291 | P243-T285 WeakPolarHBondContact CG-O 3.44Å; T285-D287 WeakPolarHBondContact CB-OD1 3.38Å; T285-D287 PolarHBondContact O-N 3.14Å; T285-D287 VanDerWaalsContact O-N 3.12Å; T285-D287 PolarHBondContact OG1-OD1 2.94Å; T285-G288 PolarHBondContact O-N 3.41Å; T285-K289 PolarHBondContact N-O 2.78Å; T285-K289 WeakPolarHBondContact OG1-CA 3.38Å; T285-K289 WeakPolarHBondContact OG1-CB 3.46Å; T285-K289 PolarHBondContact OG1-N 3.36Å; T285-K289 PolarHBondContact OG1-O 3.43Å; T285-K289 VanDerWaalsContact OG1-O 3.04Å; T285-L291 HydrophobicContact CG2-CD1 3.37Å; T285-L291 HydrophobicContact CG2-CD2 4.3Å; T285-L291 HydrophobicContact CG2-CG 3.7Å | ||
| 286 | P | 67.1 | Low | 69.8 | Low | 99 Ų | 99 | 37.9 Ų | 37.9 | 64% | 0.643 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.9 | 175.5 | -27.3 | 35.7 | 0 | 0 | 0 | 114.3 | G288 | P286-G288 VanDerWaalsContact C-N 3.26Å; P286-G288 PolarHBondContact O-N 3.26Å |
| 287 | D | 70.1 | Confident | 69.8 | Low | 101 Ų | 101 | 39.9 Ų | 39.9 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 12.7 | 175.7 | 71.8 | -20.9 | 0 | 0 | 0 | 113.9 | T285 K289 | T285-D287 WeakPolarHBondContact CB-OD1 3.38Å; T285-D287 PolarHBondContact O-N 3.14Å; T285-D287 VanDerWaalsContact O-N 3.12Å; T285-D287 PolarHBondContact OG1-OD1 2.94Å; D287-K289 PolarHBondContact O-N 3.05Å; D287-K289 VanDerWaalsContact OD2-CE 3.28Å; D287-K289 WeakPolarHBondContact OD2-CE 3.13Å; D287-K289 IonicContact OD2-NZ 3.21Å; D287-K289 PolarHBondContact OD2-NZ 3.27Å |
| 288 | G | 69 | Low | 69.5 | Low | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 80.4 | 10 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T285 P286 | T285-G288 PolarHBondContact O-N 3.41Å; P286-G288 VanDerWaalsContact C-N 3.26Å; P286-G288 PolarHBondContact O-N 3.26Å |
| 289 | K | 73.5 | Confident | 68.7 | Low | 103 Ų | 103 | 47.2 Ų | 47.2 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 146.3 | 175.2 | -61.1 | 171.2 | -177.7 | 140.5 | 0 | 110.6 | F284 T285 D287 | F284-K289 CarbonylContact C-O 3.47Å; F284-K289 VanDerWaalsContact CA-O 3.31Å; F284-K289 WeakPolarHBondContact CA-O 3.36Å; T285-K289 PolarHBondContact N-O 2.78Å; T285-K289 WeakPolarHBondContact OG1-CA 3.38Å; T285-K289 WeakPolarHBondContact OG1-CB 3.46Å; T285-K289 PolarHBondContact OG1-N 3.36Å; T285-K289 PolarHBondContact OG1-O 3.43Å; T285-K289 VanDerWaalsContact OG1-O 3.04Å; D287-K289 PolarHBondContact O-N 3.05Å; D287-K289 VanDerWaalsContact OD2-CE 3.28Å; D287-K289 WeakPolarHBondContact OD2-CE 3.13Å; D287-K289 IonicContact OD2-NZ 3.21Å; D287-K289 PolarHBondContact OD2-NZ 3.27Å |
| 290 | I | 73.9 | Confident | 67.8 | Low | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.1 | 176.3 | -58.5 | 166.7 | 0 | 0 | 0 | 109.2 | L9 A249 V259 F284 V292 | L9-I290 HydrophobicContact CD1-CD1 4.14Å; A249-I290 HydrophobicContact CB-CD1 4.18Å; A249-I290 HydrophobicContact CB-CG1 4.41Å; A249-I290 HydrophobicContact CB-CG2 4.3Å; V259-I290 HydrophobicContact CG2-CD1 3.41Å; V259-I290 VanDerWaalsContact CG2-CD1 3.41Å; F284-I290 HydrophobicContact CD1-CG1 3.72Å; F284-I290 HydrophobicContact CE1-CD1 3.87Å; F284-I290 HydrophobicContact CE1-CG1 3.23Å; F284-I290 HydrophobicContact CE2-CG1 4.26Å; F284-I290 HydrophobicContact CG-CG1 4.42Å; F284-I290 HydrophobicContact CZ-CD1 3.85Å; F284-I290 HydrophobicContact CZ-CG1 3.55Å; I290-V292 HydrophobicContact CG2-CG2 3.69Å |
| 291 | L | 69.3 | Low | 66.6 | Low | 43 Ų | 43 | 58.1 Ų | 58.1 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.1 | 165.2 | -60.1 | 175.4 | 0 | 0 | 0 | 108.9 | F29 C282 A283 T285 | F29-L291 HydrophobicContact CD1-CD1 3.69Å; F29-L291 HydrophobicContact CD2-CB 3.97Å; F29-L291 HydrophobicContact CD2-CD1 3.76Å; F29-L291 HydrophobicContact CE1-CB 4.43Å; F29-L291 HydrophobicContact CE1-CD1 3.58Å; F29-L291 HydrophobicContact CE1-CG 4.49Å; F29-L291 HydrophobicContact CE2-CB 3.27Å; F29-L291 HydrophobicContact CE2-CD1 3.66Å; F29-L291 HydrophobicContact CE2-CG 4.08Å; F29-L291 HydrophobicContact CG-CD1 3.77Å; F29-L291 HydrophobicContact CZ-CB 3.55Å; F29-L291 HydrophobicContact CZ-CD1 3.57Å; F29-L291 HydrophobicContact CZ-CD2 4.49Å; F29-L291 HydrophobicContact CZ-CG 4.06Å; C282-L291 CarbonylContact C-O 3.58Å; C282-L291 VanDerWaalsContact CA-O 3.31Å; C282-L291 WeakPolarHBondContact CA-O 3.23Å; A283-L291 PolarHBondContact N-O 2.86Å; A283-L291 PolarHBondContact O-N 3.27Å; T285-L291 HydrophobicContact CG2-CD1 3.37Å; T285-L291 HydrophobicContact CG2-CD2 4.3Å; T285-L291 HydrophobicContact CG2-CG 3.7Å |
| 292 | V | 72.3 | Confident | 65.2 | Low | 34 Ų | 34 | 63.7 Ų | 63.7 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.9 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | V257 L276 A279 T281 I290 | V257-V292 HydrophobicContact CG1-CG2 4.27Å; V257-V292 HydrophobicContact CG2-CG1 3.82Å; V257-V292 HydrophobicContact CG2-CG2 3.93Å; L276-V292 HydrophobicContact CD1-CG1 4.01Å; A279-V292 HydrophobicContact CB-CG1 3.95Å; T281-V292 WeakPolarHBondContact O-CA 3.15Å; I290-V292 HydrophobicContact CG2-CG2 3.69Å |
| 293 | S | 72.7 | Confident | 63.6 | Low | 16 Ų | 16 | 69 Ų | 69 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 151.2 | 168.4 | 70.4 | 0 | 0 | 0 | 0 | 109.4 | S27 A279 H280 T281 | S27-S293 WeakPolarHBondContact OG-CB 3.43Å; S27-S293 PolarHBondContact OG-OG 2.91Å; A279-S293 CarbonylContact C-O 3.54Å; A279-S293 WeakPolarHBondContact CA-O 3.46Å; H280-S293 PolarHBondContact N-O 3.1Å; T281-S293 WeakPolarHBondContact CG2-OG 3.31Å; T281-S293 PolarHBondContact N-O 3.16Å; T281-S293 PolarHBondContact N-OG 2.78Å; T281-S293 PolarHBondContact O-N 3.43Å |
| 294 | G | 71.2 | Confident | 62 | Low | 25 Ų | 25 | 71.1 Ų | 71.1 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 167.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V278 H280 | V278-G294 CarbonylContact O-C 3.56Å; V278-G294 WeakPolarHBondContact O-CA 3.24Å; H280-G294 VanDerWaalsContact CD2-CA 3.41Å; H280-G294 WeakPolarHBondContact CD2-CA 3.4Å |
| 295 | A | 70.6 | Confident | 60.4 | Low | 44 Ų | 44 | 79.2 Ų | 79.2 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L276 D277 V278 H280 | L276-A295 WeakPolarHBondContact CA-O 3.35Å; D277-A295 PolarHBondContact N-O 2.97Å; V278-A295 PolarHBondContact O-N 2.98Å; H280-A295 PolarHBondContact CD2-N 3.39Å; H280-A295 PolarHBondContact NE2-N 3.05Å |
| 296 | A | 63.9 | Low | 58.8 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F16 L276 Q298 | F16-A296 HydrophobicContact CD1-CB 3.72Å; F16-A296 HydrophobicContact CE1-CB 3.52Å; L276-A296 HydrophobicContact CD2-CB 4.47Å; A296-Q298 PolarHBondContact O-N 2.93Å |
| 297 | D | 60 | Low | 57.4 | Low | 56 Ų | 56 | 82.5 Ų | 82.5 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 125.4 | 174.8 | -178.8 | -10.1 | 0 | 0 | 0 | 111 | T299 R300 | D297-T299 PolarHBondContact O-N 3.2Å; D297-T299 WeakPolarHBondContact OD1-CB 3.48Å; D297-T299 PolarHBondContact OD1-N 2.96Å; D297-T299 PolarHBondContact OD1-OG1 3.48Å; D297-T299 PolarHBondContact OD2-OG1 3.11Å; D297-R300 PolarHBondContact O-N 3.37Å |
| 298 | Q | 53.8 | Low | 56.2 | Low | 166 Ų | 166 | 86.4 Ų | 86.4 | 78% | 0.776 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.7 | -28.7 | -179 | -67.8 | -171.4 | 1 | 0 | 0 | 112.7 | A296 R300 R301 | A296-Q298 PolarHBondContact O-N 2.93Å; Q298-R300 PolarHBondContact O-N 2.69Å; Q298-R301 WeakPolarHBondContact O-CB 3.41Å; Q298-R301 PolarHBondContact O-N 3.23Å |
| 299 | T | 47.4 | Very low | 54.5 | Low | 87 Ų | 87 | 89.7 Ų | 89.7 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | -178.1 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | D297 | D297-T299 PolarHBondContact O-N 3.2Å; D297-T299 WeakPolarHBondContact OD1-CB 3.48Å; D297-T299 PolarHBondContact OD1-N 2.96Å; D297-T299 PolarHBondContact OD1-OG1 3.48Å; D297-T299 PolarHBondContact OD2-OG1 3.11Å |
| 300 | R | 49.2 | Very low | 53 | Low | 152 Ų | 152 | 90.2 Ų | 90.2 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -80.7 | -17.1 | 178 | -67.6 | -172.9 | 178.8 | -142.3 | -9.4 | 113.7 | G274 D297 Q298 Q302 I303 S304 | G274-R300 PolarHBondContact O-NH1 2.98Å; D297-R300 PolarHBondContact O-N 3.37Å; Q298-R300 PolarHBondContact O-N 2.69Å; R300-Q302 VanDerWaalsContact C-N 3.28Å; R300-Q302 PolarHBondContact O-N 3.27Å; R300-I303 PolarHBondContact O-N 3.31Å; R300-S304 PolarHBondContact O-N 3.38Å |
| 301 | R | 47.7 | Very low | 51.6 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 171.5 | -111.3 | -175.2 | -177.9 | 179 | 6.2 | 111.9 | F17 Q298 S304 | F17-R301 PolarHBondContact O-NH2 3.07Å; Q298-R301 WeakPolarHBondContact O-CB 3.41Å; Q298-R301 PolarHBondContact O-N 3.23Å; R301-S304 PolarHBondContact O-OG 3.26Å |
| 302 | Q | 41 | Very low | 50.2 | Low | 142 Ų | 142 | 105.8 Ų | 105.8 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.1 | -41.5 | 177 | -75.7 | -174 | -16.6 | 0 | 0 | 112.1 | R300 S304 R305 T306 | R300-Q302 VanDerWaalsContact C-N 3.28Å; R300-Q302 PolarHBondContact O-N 3.27Å; Q302-S304 VanDerWaalsContact C-N 3.33Å; Q302-S304 PolarHBondContact O-N 2.81Å; Q302-R305 PolarHBondContact O-N 2.87Å; Q302-R305 VanDerWaalsContact O-N 3.07Å; Q302-T306 WeakPolarHBondContact O-CG2 3.23Å; Q302-T306 PolarHBondContact O-N 3.45Å; Q302-T306 PolarHBondContact O-OG1 3Å; Q302-T306 VanDerWaalsContact O-OG1 3.11Å |
| 303 | I | 44.6 | Very low | 49.3 | Very low | 114 Ų | 114 | 109.3 Ų | 109.3 | 59% | 0.585 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.2 | -35.2 | -177.4 | -58.5 | 171.9 | 0 | 0 | 0 | 112.5 | R300 T306 S307 | R300-I303 PolarHBondContact O-N 3.31Å; I303-T306 WeakPolarHBondContact CA-OG1 3.49Å; I303-T306 PolarHBondContact O-OG1 3.2Å; I303-S307 PolarHBondContact O-N 3.19Å; I303-S307 PolarHBondContact O-OG 3.01Å |
| 304 | S | 41.7 | Very low | 47.7 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.1 | -18.3 | 175.9 | 63 | 0 | 0 | 0 | 0 | 114.2 | R300 R301 Q302 S307 | R300-S304 PolarHBondContact O-N 3.38Å; R301-S304 PolarHBondContact O-OG 3.26Å; Q302-S304 VanDerWaalsContact C-N 3.33Å; Q302-S304 PolarHBondContact O-N 2.81Å; S304-S307 PolarHBondContact O-OG 2.83Å |
| 305 | R | 39.3 | Very low | 46.4 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 75% | 0.751 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -85.7 | -36 | 172.4 | -77.7 | -178.3 | 166.1 | -174.6 | -4.5 | 111.6 | Q302 K308 | Q302-R305 PolarHBondContact O-N 2.87Å; Q302-R305 VanDerWaalsContact O-N 3.07Å; R305-K308 PolarHBondContact O-N 3.32Å |
| 306 | T | 36 | Very low | 45.2 | Very low | 98 Ų | 98 | 130 Ų | 130 | 60% | 0.601 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77 | -21.6 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | Q302 I303 K308 | Q302-T306 WeakPolarHBondContact O-CG2 3.23Å; Q302-T306 PolarHBondContact O-N 3.45Å; Q302-T306 PolarHBondContact O-OG1 3Å; Q302-T306 VanDerWaalsContact O-OG1 3.11Å; I303-T306 WeakPolarHBondContact CA-OG1 3.49Å; I303-T306 PolarHBondContact O-OG1 3.2Å; T306-K308 PolarHBondContact O-N 2.87Å |
| 307 | S | 38.6 | Very low | 44.2 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -0.1 | 171.4 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | I303 S304 | I303-S307 PolarHBondContact O-N 3.19Å; I303-S307 PolarHBondContact O-OG 3.01Å; S304-S307 PolarHBondContact O-OG 2.83Å |
| 308 | K | 44.2 | Very low | 43.3 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 44.7 | 171.5 | -72.4 | -171.3 | 175.5 | -174.9 | 0 | 111.8 | R305 T306 | R305-K308 PolarHBondContact O-N 3.32Å; T306-K308 PolarHBondContact O-N 2.87Å |
| 309 | S | 34.7 | Very low | 42.7 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 142.6 | 156.4 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 310 | P | 41 | Very low | 42.4 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 140 | -177.9 | 0.3 | 15 | 0 | 0 | 0 | 109.6 | D312 | P310-D312 PolarHBondContact O-N 2.68Š|
| 311 | R | 44.2 | Very low | 41.9 | Very low | 242 Ų | 242 | 140.4 Ų | 140.4 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.7 | 156.3 | -76.1 | -179.8 | -178.1 | 179 | -0.8 | 107 | P313 | R311-P313 WeakPolarHBondContact O-CD 3.25Š|
| 312 | D | 41.1 | Very low | 41.5 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53 | 132.8 | 164.7 | -71.3 | -42 | 0 | 0 | 0 | 109.6 | P310 | P310-D312 PolarHBondContact O-N 2.68Š|
| 313 | P | 51.8 | Low | 41.6 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 132.3 | 158.2 | 32 | -21.3 | 0 | 0 | 0 | 110.1 | R311 | R311-P313 WeakPolarHBondContact O-CD 3.25Š|
| 314 | Q | 40.4 | Very low | 41.3 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 82.2 | 132.9 | 160.8 | -53.6 | -179.4 | -8 | 0 | 0 | 115.1 | ||||
| 315 | T | 43.1 | Very low | 41.3 | Very low | 206 Ų | 206 | 152 Ų | 152 | 100% | 1.264 | 79% | 0.794 | S | S | * | * | cis | -142.3 | 0 | 21.5 | 43.1 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 315 of 315 residues in 648.5 ms
(Link to these results)