| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.7 | Very low | 78.8 | Confident | 245 Ų | 245 | 74.5 Ų | 74.5 | 100% | 1.207 | 40% | 0.397 | S | S | * | . | 0 | 138.3 | 0 | -74.2 | 159.1 | 164.5 | 0 | 0 | 108.1 | |||||
| 2 | T | 47.5 | Very low | 79.9 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 85% | 0.847 | 39% | 0.386 | S | S | * | . | trans | -83.4 | 112.5 | 171 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | S4 | T2-S4 PolarHBondContact O-N 2.85Å; T2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | D | 56 | Low | 80.7 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | trans | -63.2 | 110.2 | 169.1 | -97.2 | -50.9 | 0 | 0 | 0 | 109.5 | V5 R27 | D3-V5 HydrophobicContact CB-CG2 4.32Å; D3-V5 PolarHBondContact O-N 2.69Å; D3-R27 VanDerWaalsContact OD1-CD 3.23Å; D3-R27 WeakPolarHBondContact OD1-CD 3.32Å; D3-R27 IonicContact OD1-CZ 3.14Å; D3-R27 IonicContact OD1-NE 3.25Å; D3-R27 IonicContact OD1-NH1 2.68Å; D3-R27 PolarHBondContact OD1-NH1 2.92Å | ||
| 4 | S | 78.8 | Confident | 81.2 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 70.1 | 176 | 36.2 | 0 | 0 | 0 | 0 | 111.3 | T2 V6 R27 K28 | T2-S4 PolarHBondContact O-N 2.85Å; T2-S4 VanDerWaalsContact O-N 3.09Å; S4-V6 PolarHBondContact O-N 3.18Å; S4-R27 CarbonylContact O-C 3.49Å; S4-R27 VanDerWaalsContact O-CA 3.25Å; S4-R27 WeakPolarHBondContact O-CA 3.47Å; S4-K28 PolarHBondContact O-N 2.93Å; S4-K28 PolarHBondContact OG-O 2.89Å |
| 5 | V | 87.8 | Confident | 81.3 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 125.5 | 172.7 | 179 | 0 | 0 | 0 | 0 | 109.5 | D3 E8 V25 R27 | D3-V5 HydrophobicContact CB-CG2 4.32Å; D3-V5 PolarHBondContact O-N 2.69Å; V5-E8 HydrophobicContact CG1-CB 4.29Å; V5-E8 HydrophobicContact CG1-CG 4.36Å; V5-V25 HydrophobicContact CB-CG1 4.46Å; V5-V25 HydrophobicContact CG1-CG1 3.88Å; V5-V25 HydrophobicContact CG2-CG1 3.83Å; V5-R27 HydrophobicContact CG2-CB 4.43Å |
| 6 | V | 90.3 | Very high | 81.3 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -45 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | S4 F26 K28 L36 R103 L104 | S4-V6 PolarHBondContact O-N 3.18Å; V6-F26 PolarHBondContact N-O 2.56Å; V6-K28 HydrophobicContact CG2-CG 4.18Å; V6-L36 HydrophobicContact CG2-CD2 3.99Å; V6-R103 VanDerWaalsContact CG1-O 3.22Å; V6-R103 WeakPolarHBondContact CG1-O 3.2Å; V6-L104 HydrophobicContact CG1-CD2 4.21Å |
| 7 | V | 92.9 | Very high | 81.3 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.018 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 146.3 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | F26 W100 R103 L104 | V7-F26 HydrophobicContact CG1-CB 3.93Å; V7-F26 HydrophobicContact CG1-CD2 3.98Å; V7-F26 HydrophobicContact CG1-CG 4.31Å; V7-F26 PolarHBondContact N-O 2.99Å; V7-F26 PolarHBondContact O-N 2.92Å; V7-W100 HydrophobicContact CB-CD2 4.49Å; V7-W100 HydrophobicContact CB-CE3 4.48Å; V7-W100 HydrophobicContact CG1-CD2 4.12Å; V7-W100 HydrophobicContact CG1-CE3 3.69Å; V7-W100 HydrophobicContact CG1-CZ3 4.03Å; V7-W100 HydrophobicContact CG2-CD2 3.52Å; V7-W100 HydrophobicContact CG2-CE3 3.93Å; V7-W100 HydrophobicContact CG2-CG 3.8Å; V7-W100 HydrophobicContact CG2-CH2 4.44Å; V7-W100 HydrophobicContact CG2-CZ2 4.11Å; V7-W100 HydrophobicContact CG2-CZ3 4.37Å; V7-R103 HydrophobicContact CB-CB 4.11Å; V7-L104 HydrophobicContact CG1-CD1 4.34Å; V7-L104 HydrophobicContact CG1-CD2 3.85Å; V7-L104 HydrophobicContact CG1-CG 3.87Å |
| 8 | E | 93.2 | Very high | 81.7 | Confident | 71 Ų | 71 | 83.4 Ų | 83.4 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 161.2 | 168.9 | 64.5 | 168.5 | 176.1 | 0 | 0 | 112.1 | V5 W23 L24 V25 K47 W100 | V5-E8 HydrophobicContact CG1-CB 4.29Å; V5-E8 HydrophobicContact CG1-CG 4.36Å; E8-W23 HydrophobicContact CB-CZ2 4.19Å; E8-W23 HydrophobicContact CG-CZ2 3.82Å; E8-W23 PolarHBondContact OE2-NE1 2.8Å; E8-L24 WeakPolarHBondContact CA-O 3.48Å; E8-L24 WeakPolarHBondContact CB-O 3.49Å; E8-V25 HydrophobicContact CB-CB 4.32Å; E8-V25 HydrophobicContact CB-CG1 4.33Å; E8-V25 HydrophobicContact CB-CG2 3.9Å; E8-K47 IonicContact OE1-NZ 2.67Å; E8-K47 IonicContact OE2-NZ 2.8Å; E8-K47 PolarHBondContact OE2-NZ 3.42Å; E8-W100 VanDerWaalsContact C-CZ2 3.48Å |
| 9 | G | 92.1 | Very high | 82.2 | Confident | 9 Ų | 9 | 81.6 Ų | 81.6 | 9% | 0.093 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -171.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W23 L24 | G9-W23 WeakPolarHBondContact O-CA 3.42Å; G9-L24 PolarHBondContact N-O 3.35Å; G9-L24 VanDerWaalsContact N-O 3.1Å; G9-L24 PolarHBondContact O-N 3.47Å |
| 10 | Y | 92.7 | Very high | 82.7 | Confident | 114 Ų | 114 | 83.6 Ų | 83.6 | 45% | 0.447 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.2 | 173.8 | -63.1 | -71.4 | 0 | 0 | 0 | 111.7 | T21 R22 W23 D43 K44 | Y10-T21 HydrophobicContact CD1-CG2 4.4Å; Y10-R22 WeakPolarHBondContact CA-O 3.49Å; Y10-W23 HydrophobicContact CD1-CB 4.29Å; Y10-W23 AromaticContact CD1-CE3 3.87Å; Y10-W23 HydrophobicContact CD1-CE3 3.87Å; Y10-W23 AromaticContact CD2-CE3 3.83Å; Y10-W23 HydrophobicContact CD2-CE3 3.83Å; Y10-W23 AromaticContact CD2-CZ3 3.85Å; Y10-W23 HydrophobicContact CD2-CZ3 3.85Å; Y10-W23 HydrophobicContact CE1-CB 4.15Å; Y10-W23 AromaticContact CE1-CE3 3.7Å; Y10-W23 HydrophobicContact CE1-CE3 3.7Å; Y10-W23 AromaticContact CE2-CE3 3.66Å; Y10-W23 HydrophobicContact CE2-CE3 3.66Å; Y10-W23 AromaticContact CE2-CZ3 3.66Å; Y10-W23 HydrophobicContact CE2-CZ3 3.66Å; Y10-W23 AromaticContact CG-CE3 3.92Å; Y10-W23 HydrophobicContact CG-CE3 3.92Å; Y10-W23 HydrophobicContact CG-CZ3 4.37Å; Y10-W23 AromaticContact CZ-CE3 3.58Å; Y10-D43 PolarHBondContact OH-OD1 3.23Å; Y10-K44 WeakPolarHBondContact OH-CB 3.44Å |
| 11 | A | 93.1 | Very high | 83.1 | Confident | 3 Ų | 3 | 83 Ų | 83 | 3% | 0.025 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | T21 R22 L24 F91 | A11-T21 WeakPolarHBondContact O-CA 3.19Å; A11-R22 PolarHBondContact N-O 3.17Å; A11-R22 PolarHBondContact O-N 3.43Å; A11-L24 HydrophobicContact CB-CD1 3.82Å; A11-L24 HydrophobicContact CB-CG 4.32Å; A11-F91 HydrophobicContact CB-CD1 4.38Å; A11-F91 HydrophobicContact CB-CE1 3.82Å; A11-F91 HydrophobicContact CB-CZ 3.95Å |
| 12 | R | 92 | Very high | 85.6 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122 | 175.7 | -55.4 | -179.3 | -175.7 | -156.9 | -1.8 | 109.1 | W19 R20 G90 D92 | R12-W19 HydrophobicContact CB-CB 4.41Å; R12-W19 HydrophobicContact CB-CD2 4.48Å; R12-W19 HydrophobicContact CB-CE3 3.83Å; R12-W19 HydrophobicContact CB-CZ3 4.48Å; R12-W19 WeakPolarHBondContact O-CZ3 3.28Å; R12-R20 WeakPolarHBondContact CA-O 3.27Å; R12-G90 WeakPolarHBondContact CB-O 3.42Å; R12-G90 PolarHBondContact N-O 2.85Å; R12-G90 PolarHBondContact O-N 3.16Å; R12-D92 IonicContact CZ-OD1 3.68Å; R12-D92 IonicContact CZ-OD2 3.56Å; R12-D92 IonicContact NE-OD1 2.7Å; R12-D92 PolarHBondContact NE-OD1 3.44Å; R12-D92 IonicContact NE-OD2 2.75Å; R12-D92 IonicContact NH2-OD1 3.84Å; R12-D92 PolarHBondContact NH2-OD1 2.85Å; R12-D92 IonicContact NH2-OD2 3.56Å; R12-D92 PolarHBondContact NH2-OD2 3.09Å |
| 13 | L | 90.6 | Very high | 87.7 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 152.2 | 166.1 | -74.7 | -178.9 | 0 | 0 | 0 | 110.8 | W19 R20 L24 V40 L89 | L13-W19 CarbonylContact O-C 3.58Å; L13-W19 WeakPolarHBondContact O-CA 3.07Å; L13-R20 PolarHBondContact N-O 2.85Å; L13-R20 PolarHBondContact O-N 2.67Å; L13-L24 HydrophobicContact CD1-CD1 4.31Å; L13-L24 HydrophobicContact CD1-CD2 3.56Å; L13-L24 HydrophobicContact CD2-CD1 3.8Å; L13-L24 HydrophobicContact CG-CD1 3.87Å; L13-L24 HydrophobicContact CG-CD2 3.89Å; L13-L24 HydrophobicContact CG-CG 4.49Å; L13-V40 HydrophobicContact CD1-CB 4.31Å; L13-V40 HydrophobicContact CD1-CG1 3.66Å; L13-V40 HydrophobicContact CD1-CG2 3.62Å; L13-L89 HydrophobicContact CD2-CD2 3.61Å |
| 14 | R | 86.8 | Confident | 89.5 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 113.3 | 171.2 | -173.8 | 172.3 | -170.4 | 147.6 | 17.4 | 110.3 | G16 W19 Y71 E72 | R14-G16 WeakPolarHBondContact CG-O 3.37Å; R14-G16 PolarHBondContact NE-O 2.8Å; R14-W19 HydrophobicContact CB-CE3 4.34Å; R14-W19 HydrophobicContact CB-CZ3 4.21Å; R14-Y71 VanDerWaalsContact NH1-CE1 3.32Å; R14-Y71 PolarHBondContact NH1-OH 3.03Å; R14-E72 IonicContact CZ-OE1 3.42Å; R14-E72 IonicContact CZ-OE2 3.47Å; R14-E72 VanDerWaalsContact CZ-OE2 3.25Å; R14-E72 IonicContact NH1-OE1 3.89Å; R14-E72 PolarHBondContact NH1-OE1 2.85Å; R14-E72 IonicContact NH1-OE2 3.46Å; R14-E72 IonicContact NH2-OE1 3.95Å; R14-E72 PolarHBondContact NH2-OE1 3.41Å; R14-E72 IonicContact NH2-OE2 2.72Å; R14-E72 PolarHBondContact NH2-OE2 2.9Å |
| 15 | D | 83.3 | Confident | 90.2 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 91.9 | 171.8 | -179.1 | 21 | 0 | 0 | 0 | 108.6 | K17 K18 R20 | D15-K17 PolarHBondContact O-N 2.68Å; D15-K17 VanDerWaalsContact O-N 3.17Å; D15-K18 PolarHBondContact N-O 2.67Å; D15-K18 PolarHBondContact O-N 3.07Å; D15-R20 HydrophobicContact CB-CG 4.21Å; D15-R20 IonicContact OD2-CZ 3.1Å; D15-R20 IonicContact OD2-NE 2.76Å; D15-R20 PolarHBondContact OD2-NE 2.87Å; D15-R20 IonicContact OD2-NH2 2.69Å; D15-R20 PolarHBondContact OD2-NH2 3.18Å |
| 16 | G | 81.9 | Confident | 90.5 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | -115.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R14 | R14-G16 WeakPolarHBondContact CG-O 3.37Å; R14-G16 PolarHBondContact NE-O 2.8Å |
| 17 | K | 81 | Confident | 90.5 | Very high | 192 Ų | 192 | 60 Ų | 60 | 84% | 0.835 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 13 | 178.4 | -63.6 | -170.2 | 177 | -173.2 | 0 | 114.2 | D15 | D15-K17 PolarHBondContact O-N 2.68Å; D15-K17 VanDerWaalsContact O-N 3.17Å |
| 18 | K | 88.8 | Confident | 90.4 | Very high | 154 Ų | 154 | 60.9 Ų | 60.9 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.4 | -177.6 | -67.1 | -171.6 | 177.4 | -175.4 | 0 | 112.4 | D15 | D15-K18 PolarHBondContact N-O 2.67Å; D15-K18 PolarHBondContact O-N 3.07Å |
| 19 | W | 90.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 61 Ų | 61 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 137.6 | 166.4 | -67.3 | 109.1 | 0 | 0 | 0 | 111 | R12 L13 R14 Y71 E72 V74 T77 L88 | R12-W19 HydrophobicContact CB-CB 4.41Å; R12-W19 HydrophobicContact CB-CD2 4.48Å; R12-W19 HydrophobicContact CB-CE3 3.83Å; R12-W19 HydrophobicContact CB-CZ3 4.48Å; R12-W19 WeakPolarHBondContact O-CZ3 3.28Å; L13-W19 CarbonylContact O-C 3.58Å; L13-W19 WeakPolarHBondContact O-CA 3.07Å; R14-W19 HydrophobicContact CB-CE3 4.34Å; R14-W19 HydrophobicContact CB-CZ3 4.21Å; W19-Y71 AromaticContact CZ2-CD1 3.96Å; W19-Y71 HydrophobicContact CZ2-CD1 3.96Å; W19-E72 PolarHBondContact NE1-O 2.62Å; W19-V74 HydrophobicContact CD2-CG2 3.87Å; W19-V74 HydrophobicContact CG-CG2 3.86Å; W19-V74 HydrophobicContact CZ2-CB 4.31Å; W19-V74 HydrophobicContact CZ2-CG2 4.19Å; W19-T77 HydrophobicContact CH2-CG2 4.43Å; W19-L88 HydrophobicContact CH2-CD2 3.86Å; W19-L88 HydrophobicContact CH2-CG 4.04Å; W19-L88 HydrophobicContact CZ2-CD2 4.43Å |
| 20 | R | 91.5 | Very high | 89.7 | Confident | 122 Ų | 122 | 63.4 Ų | 63.4 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 125.9 | 170.6 | -57.8 | -162.1 | -157.3 | -132.5 | 22.8 | 111.1 | R12 L13 D15 R22 | R12-R20 WeakPolarHBondContact CA-O 3.27Å; L13-R20 PolarHBondContact N-O 2.85Å; L13-R20 PolarHBondContact O-N 2.67Å; D15-R20 HydrophobicContact CB-CG 4.21Å; D15-R20 IonicContact OD2-CZ 3.1Å; D15-R20 IonicContact OD2-NE 2.76Å; D15-R20 PolarHBondContact OD2-NE 2.87Å; D15-R20 IonicContact OD2-NH2 2.69Å; D15-R20 PolarHBondContact OD2-NH2 3.18Å; R20-R22 VanDerWaalsContact CD-NH2 3.31Å |
| 21 | T | 92.5 | Very high | 89.1 | Confident | 70 Ų | 70 | 63 Ų | 63 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.8 | 171.2 | -42.7 | 0 | 0 | 0 | 0 | 110.7 | Y10 A11 | Y10-T21 HydrophobicContact CD1-CG2 4.4Å; A11-T21 WeakPolarHBondContact O-CA 3.19Å |
| 22 | R | 93.7 | Very high | 88.4 | Confident | 51 Ų | 51 | 69 Ų | 69 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.8 | -179.7 | -68.6 | -67.1 | 173.1 | -105.3 | 7.3 | 109.2 | Y10 A11 R20 L24 V40 F41 | Y10-R22 WeakPolarHBondContact CA-O 3.49Å; A11-R22 PolarHBondContact N-O 3.17Å; A11-R22 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact CD-NH2 3.31Å; R22-L24 HydrophobicContact CB-CD2 3.68Å; R22-V40 HydrophobicContact CB-CG1 4.05Å; R22-V40 HydrophobicContact CG-CG1 3.97Å; R22-F41 VanDerWaalsContact CD-O 3.28Å; R22-F41 WeakPolarHBondContact CD-O 3.45Å |
| 23 | W | 92.9 | Very high | 88 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 8% | 0.076 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 115.2 | 165.6 | -175.3 | -88.7 | 0 | 0 | 0 | 108 | E8 G9 Y10 F41 K44 | E8-W23 HydrophobicContact CB-CZ2 4.19Å; E8-W23 HydrophobicContact CG-CZ2 3.82Å; E8-W23 PolarHBondContact OE2-NE1 2.8Å; G9-W23 WeakPolarHBondContact O-CA 3.42Å; Y10-W23 HydrophobicContact CD1-CB 4.29Å; Y10-W23 AromaticContact CD1-CE3 3.87Å; Y10-W23 HydrophobicContact CD1-CE3 3.87Å; Y10-W23 AromaticContact CD2-CE3 3.83Å; Y10-W23 HydrophobicContact CD2-CE3 3.83Å; Y10-W23 AromaticContact CD2-CZ3 3.85Å; Y10-W23 HydrophobicContact CD2-CZ3 3.85Å; Y10-W23 HydrophobicContact CE1-CB 4.15Å; Y10-W23 AromaticContact CE1-CE3 3.7Å; Y10-W23 HydrophobicContact CE1-CE3 3.7Å; Y10-W23 AromaticContact CE2-CE3 3.66Å; Y10-W23 HydrophobicContact CE2-CE3 3.66Å; Y10-W23 AromaticContact CE2-CZ3 3.66Å; Y10-W23 HydrophobicContact CE2-CZ3 3.66Å; Y10-W23 AromaticContact CG-CE3 3.92Å; Y10-W23 HydrophobicContact CG-CE3 3.92Å; Y10-W23 HydrophobicContact CG-CZ3 4.37Å; Y10-W23 AromaticContact CZ-CE3 3.58Å; W23-F41 HydrophobicContact CB-CB 4.22Å; W23-F41 PolarHBondContact N-O 2.92Å; W23-F41 PolarHBondContact O-N 2.86Å; W23-K44 HydrophobicContact CD2-CB 3.83Å; W23-K44 HydrophobicContact CD2-CG 4Å; W23-K44 HydrophobicContact CE3-CB 3.74Å; W23-K44 HydrophobicContact CE3-CD 4.26Å; W23-K44 HydrophobicContact CE3-CG 4.05Å; W23-K44 HydrophobicContact CG-CB 4.31Å; W23-K44 HydrophobicContact CH2-CD 3.57Å; W23-K44 HydrophobicContact CH2-CG 3.95Å; W23-K44 HydrophobicContact CZ2-CD 3.96Å; W23-K44 HydrophobicContact CZ2-CG 3.89Å; W23-K44 HydrophobicContact CZ3-CB 4.1Å; W23-K44 HydrophobicContact CZ3-CD 3.73Å; W23-K44 HydrophobicContact CZ3-CG 4.03Å |
| 24 | L | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146.8 | -179.8 | -49.7 | -172.6 | 0 | 0 | 0 | 110 | E8 G9 A11 L13 R22 L38 V39 V40 L89 W100 | E8-L24 WeakPolarHBondContact CA-O 3.48Å; E8-L24 WeakPolarHBondContact CB-O 3.49Å; G9-L24 PolarHBondContact N-O 3.35Å; G9-L24 VanDerWaalsContact N-O 3.1Å; G9-L24 PolarHBondContact O-N 3.47Å; A11-L24 HydrophobicContact CB-CD1 3.82Å; A11-L24 HydrophobicContact CB-CG 4.32Å; L13-L24 HydrophobicContact CD1-CD1 4.31Å; L13-L24 HydrophobicContact CD1-CD2 3.56Å; L13-L24 HydrophobicContact CD2-CD1 3.8Å; L13-L24 HydrophobicContact CG-CD1 3.87Å; L13-L24 HydrophobicContact CG-CD2 3.89Å; L13-L24 HydrophobicContact CG-CG 4.49Å; R22-L24 HydrophobicContact CB-CD2 3.68Å; L24-L38 HydrophobicContact CB-CD1 4.04Å; L24-L38 HydrophobicContact CD1-CD1 4.27Å; L24-V39 WeakPolarHBondContact CA-O 3.5Å; L24-V40 HydrophobicContact CD2-CB 4.25Å; L24-V40 HydrophobicContact CD2-CG1 3.85Å; L24-V40 HydrophobicContact CD2-CG2 4.1Å; L24-L89 HydrophobicContact CD1-CD2 3.79Å; L24-W100 HydrophobicContact CB-CH2 3.99Å; L24-W100 HydrophobicContact CB-CZ3 4.29Å |
| 25 | V | 92.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 116.9 | 173.3 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | V5 E8 V39 F41 K47 | V5-V25 HydrophobicContact CB-CG1 4.46Å; V5-V25 HydrophobicContact CG1-CG1 3.88Å; V5-V25 HydrophobicContact CG2-CG1 3.83Å; E8-V25 HydrophobicContact CB-CB 4.32Å; E8-V25 HydrophobicContact CB-CG1 4.33Å; E8-V25 HydrophobicContact CB-CG2 3.9Å; V25-V39 HydrophobicContact CB-CB 4.33Å; V25-V39 PolarHBondContact N-O 2.6Å; V25-V39 PolarHBondContact O-N 2.93Å; V25-F41 HydrophobicContact CB-CE2 4.3Å; V25-F41 HydrophobicContact CG2-CD2 3.97Å; V25-F41 HydrophobicContact CG2-CE2 3.65Å; V25-K47 HydrophobicContact CG2-CD 4.06Å |
| 26 | F | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.4 | 164.1 | -77.4 | -90.6 | 0 | 0 | 0 | 108.7 | V6 V7 L36 V37 L38 L59 V80 L89 W100 L104 | V6-F26 PolarHBondContact N-O 2.56Å; V7-F26 HydrophobicContact CG1-CB 3.93Å; V7-F26 HydrophobicContact CG1-CD2 3.98Å; V7-F26 HydrophobicContact CG1-CG 4.31Å; V7-F26 PolarHBondContact N-O 2.99Å; V7-F26 PolarHBondContact O-N 2.92Å; F26-L36 HydrophobicContact CD1-CB 4.18Å; F26-L36 HydrophobicContact CD1-CD1 4.02Å; F26-V37 WeakPolarHBondContact CA-O 3.35Å; F26-L38 HydrophobicContact CD1-CB 4.3Å; F26-L38 HydrophobicContact CD2-CD1 4.17Å; F26-L38 HydrophobicContact CE1-CB 3.96Å; F26-L38 HydrophobicContact CE1-CD1 4.23Å; F26-L38 HydrophobicContact CE1-CD2 4.38Å; F26-L38 HydrophobicContact CE1-CG 4.41Å; F26-L38 HydrophobicContact CE2-CD1 3.79Å; F26-L38 HydrophobicContact CZ-CB 4.34Å; F26-L38 HydrophobicContact CZ-CD1 3.83Å; F26-L38 HydrophobicContact CZ-CD2 4.02Å; F26-L38 HydrophobicContact CZ-CG 4.28Å; F26-L59 HydrophobicContact CE1-CD1 3.78Å; F26-V80 HydrophobicContact CE1-CG2 4.33Å; F26-V80 HydrophobicContact CZ-CG2 4.19Å; F26-L89 HydrophobicContact CE2-CD1 3.65Å; F26-L89 HydrophobicContact CE2-CD2 4.42Å; F26-L89 HydrophobicContact CZ-CD1 3.83Å; F26-L89 HydrophobicContact CZ-CD2 4.33Å; F26-W100 HydrophobicContact CD2-CE3 4.2Å; F26-W100 AromaticContact CD2-CZ3 3.72Å; F26-W100 HydrophobicContact CD2-CZ3 3.72Å; F26-W100 HydrophobicContact CE2-CE3 4.24Å; F26-W100 AromaticContact CE2-CZ3 3.82Å; F26-W100 HydrophobicContact CE2-CZ3 3.82Å; F26-L104 HydrophobicContact CB-CD2 3.94Å; F26-L104 HydrophobicContact CD1-CD2 3.97Å; F26-L104 HydrophobicContact CD2-CD2 4.22Å; F26-L104 HydrophobicContact CG-CD2 3.79Å |
| 27 | R | 91.6 | Very high | 88.5 | Confident | 61 Ų | 61 | 60 Ų | 60 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.2 | 174.8 | 60.3 | 179.2 | 179.7 | 130.5 | 3.1 | 110.6 | D3 S4 V5 V37 | D3-R27 VanDerWaalsContact OD1-CD 3.23Å; D3-R27 WeakPolarHBondContact OD1-CD 3.32Å; D3-R27 IonicContact OD1-CZ 3.14Å; D3-R27 IonicContact OD1-NE 3.25Å; D3-R27 IonicContact OD1-NH1 2.68Å; D3-R27 PolarHBondContact OD1-NH1 2.92Å; S4-R27 CarbonylContact O-C 3.49Å; S4-R27 VanDerWaalsContact O-CA 3.25Å; S4-R27 WeakPolarHBondContact O-CA 3.47Å; V5-R27 HydrophobicContact CG2-CB 4.43Å; R27-V37 HydrophobicContact CG-CB 3.91Å; R27-V37 HydrophobicContact CG-CG2 4.45Å; R27-V37 PolarHBondContact N-O 2.73Å; R27-V37 PolarHBondContact O-N 3.23Å |
| 28 | K | 90.9 | Very high | 89.1 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 141.1 | 164.9 | -76.7 | -160.3 | 173.8 | -167.5 | 0 | 110 | S4 V6 S30 A33 L36 G107 | S4-K28 PolarHBondContact O-N 2.93Å; S4-K28 PolarHBondContact OG-O 2.89Å; V6-K28 HydrophobicContact CG2-CG 4.18Å; K28-S30 VanDerWaalsContact C-N 3.33Å; K28-S30 WeakPolarHBondContact CB-O 3.46Å; K28-A33 WeakPolarHBondContact CD-O 3.45Å; K28-A33 WeakPolarHBondContact CE-O 3.23Å; K28-A33 PolarHBondContact NZ-O 2.87Å; K28-L36 HydrophobicContact CG-CD2 3.84Å; K28-G107 WeakPolarHBondContact CE-O 3.24Å; K28-G107 PolarHBondContact NZ-O 3.07Å |
| 29 | P | 87.8 | Confident | 89.2 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -75.8 | -21.6 | 172.1 | 30.9 | -32.7 | 0 | 0 | 0 | 112.7 | A33 C35 V37 | P29-A33 HydrophobicContact CG-CB 3.99Å; P29-C35 VanDerWaalsContact CD-O 3.32Å; P29-C35 WeakPolarHBondContact CD-O 3.47Å; P29-C35 VanDerWaalsContact CG-SG 3.52Å; P29-V37 HydrophobicContact CB-CG2 4.09Å; P29-V37 HydrophobicContact CG-CG2 4.32Å |
| 30 | S | 82.8 | Confident | 89.3 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -146.9 | 146.1 | 171.6 | 169.3 | 0 | 0 | 0 | 0 | 109 | K28 V32 A33 | K28-S30 VanDerWaalsContact C-N 3.33Å; K28-S30 WeakPolarHBondContact CB-O 3.46Å; S30-V32 PolarHBondContact O-N 2.92Å; S30-A33 VanDerWaalsContact O-CB 3.3Å; S30-A33 WeakPolarHBondContact O-CB 3.45Å; S30-A33 PolarHBondContact O-N 3.39Å |
| 31 | P | 79.2 | Confident | 89.3 | Confident | 105 Ų | 105 | 37 Ų | 37 | 68% | 0.682 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -31.2 | -178.3 | -28.5 | 35.9 | 0 | 0 | 0 | 114.8 | ||
| 32 | V | 79.1 | Confident | 89.1 | Confident | 130 Ų | 130 | 39.1 Ų | 39.1 | 79% | 0.788 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 16.2 | -177.4 | -153 | 0 | 0 | 0 | 0 | 112.3 | S30 | S30-V32 PolarHBondContact O-N 2.92Š|
| 33 | A | 82.5 | Confident | 88.8 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | trans | -81.7 | 138.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K28 P29 S30 C35 | K28-A33 WeakPolarHBondContact CD-O 3.45Å; K28-A33 WeakPolarHBondContact CE-O 3.23Å; K28-A33 PolarHBondContact NZ-O 2.87Å; P29-A33 HydrophobicContact CG-CB 3.99Å; S30-A33 VanDerWaalsContact O-CB 3.3Å; S30-A33 WeakPolarHBondContact O-CB 3.45Å; S30-A33 PolarHBondContact O-N 3.39Å; A33-C35 PolarHBondContact O-N 2.71Å | ||
| 34 | D | 82.9 | Confident | 88.5 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -86.3 | 9.5 | 170.3 | -68.7 | -36.5 | 0 | 0 | 0 | 113.1 | N135 | D34-N135 PolarHBondContact OD1-ND2 3.22Š|
| 35 | C | 88.1 | Confident | 87.7 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | trans | -114.8 | 154.8 | 176.8 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | P29 A33 L59 E60 | P29-C35 VanDerWaalsContact CD-O 3.32Å; P29-C35 WeakPolarHBondContact CD-O 3.47Å; P29-C35 VanDerWaalsContact CG-SG 3.52Å; A33-C35 PolarHBondContact O-N 2.71Å; C35-L59 CarbonylContact C-O 3.59Å; C35-L59 WeakPolarHBondContact CA-O 3.29Å; C35-L59 WeakPolarHBondContact CB-O 3.47Å; C35-E60 HydrophobicContact CB-CB 4.41Å; C35-E60 HydrophobicContact CB-CG 3.76Å | ||
| 36 | L | 91.2 | Very high | 87 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.2 | 178.8 | -69 | 173.6 | 0 | 0 | 0 | 110.7 | V6 F26 K28 L59 I62 L104 L108 | V6-L36 HydrophobicContact CG2-CD2 3.99Å; F26-L36 HydrophobicContact CD1-CB 4.18Å; F26-L36 HydrophobicContact CD1-CD1 4.02Å; K28-L36 HydrophobicContact CG-CD2 3.84Å; L36-L59 HydrophobicContact CB-CB 4.47Å; L36-L59 PolarHBondContact N-O 3.14Å; L36-L59 WeakPolarHBondContact O-CB 3.39Å; L36-L59 PolarHBondContact O-N 3.5Å; L36-I62 HydrophobicContact CB-CD1 4.04Å; L36-I62 HydrophobicContact CD1-CD1 3.98Å; L36-I62 HydrophobicContact CG-CD1 3.88Å; L36-L104 HydrophobicContact CD1-CD2 3.78Å; L36-L108 HydrophobicContact CD1-CD1 4.45Å; L36-L108 HydrophobicContact CD1-CD2 3.77Å; L36-L108 HydrophobicContact CD1-CG 4.14Å; L36-L108 HydrophobicContact CD2-CD2 4.45Å; L36-L108 HydrophobicContact CG-CD2 3.84Å |
| 37 | V | 92.1 | Very high | 86.1 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.3 | 167.5 | -163.7 | 0 | 0 | 0 | 0 | 108.4 | F26 R27 P29 V39 T58 | F26-V37 WeakPolarHBondContact CA-O 3.35Å; R27-V37 HydrophobicContact CG-CB 3.91Å; R27-V37 HydrophobicContact CG-CG2 4.45Å; R27-V37 PolarHBondContact N-O 2.73Å; R27-V37 PolarHBondContact O-N 3.23Å; P29-V37 HydrophobicContact CB-CG2 4.09Å; P29-V37 HydrophobicContact CG-CG2 4.32Å; V37-V39 HydrophobicContact CG1-CG2 4.06Å; V37-T58 HydrophobicContact CG2-CG2 4.36Å |
| 38 | L | 92.7 | Very high | 85.3 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110 | 168.7 | 170.8 | 53.8 | 0 | 0 | 0 | 109 | L24 F26 V40 V57 | L24-L38 HydrophobicContact CB-CD1 4.04Å; L24-L38 HydrophobicContact CD1-CD1 4.27Å; F26-L38 HydrophobicContact CD1-CB 4.3Å; F26-L38 HydrophobicContact CD2-CD1 4.17Å; F26-L38 HydrophobicContact CE1-CB 3.96Å; F26-L38 HydrophobicContact CE1-CD1 4.23Å; F26-L38 HydrophobicContact CE1-CD2 4.38Å; F26-L38 HydrophobicContact CE1-CG 4.41Å; F26-L38 HydrophobicContact CE2-CD1 3.79Å; F26-L38 HydrophobicContact CZ-CB 4.34Å; F26-L38 HydrophobicContact CZ-CD1 3.83Å; F26-L38 HydrophobicContact CZ-CD2 4.02Å; F26-L38 HydrophobicContact CZ-CG 4.28Å; L38-V40 HydrophobicContact CG-CG2 4.35Å; L38-V57 PolarHBondContact N-O 2.83Å; L38-V57 PolarHBondContact O-N 3.24Å |
| 39 | V | 91.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.6 | 175.6 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | L24 V25 V37 F41 E53 | L24-V39 WeakPolarHBondContact CA-O 3.5Å; V25-V39 HydrophobicContact CB-CB 4.33Å; V25-V39 PolarHBondContact N-O 2.6Å; V25-V39 PolarHBondContact O-N 2.93Å; V37-V39 HydrophobicContact CG1-CG2 4.06Å; V39-F41 HydrophobicContact CB-CE2 3.96Å; V39-F41 HydrophobicContact CG1-CD2 4.09Å; V39-F41 HydrophobicContact CG1-CE1 4.42Å; V39-F41 HydrophobicContact CG1-CE2 3.36Å; V39-F41 HydrophobicContact CG1-CZ 3.56Å; V39-E53 HydrophobicContact CG1-CB 4.05Å; V39-E53 HydrophobicContact CG1-CG 3.48Å; V39-E53 VanDerWaalsContact CG1-CG 3.48Å; V39-E53 WeakPolarHBondContact CG1-OE1 3.37Å; V39-E53 WeakPolarHBondContact CG1-OE2 3.45Å |
| 40 | V | 92.6 | Very high | 82.9 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.2 | -174.7 | -173 | 0 | 0 | 0 | 0 | 110.4 | L13 R22 L24 L38 R54 A55 | L13-V40 HydrophobicContact CD1-CB 4.31Å; L13-V40 HydrophobicContact CD1-CG1 3.66Å; L13-V40 HydrophobicContact CD1-CG2 3.62Å; R22-V40 HydrophobicContact CB-CG1 4.05Å; R22-V40 HydrophobicContact CG-CG1 3.97Å; L24-V40 HydrophobicContact CD2-CB 4.25Å; L24-V40 HydrophobicContact CD2-CG1 3.85Å; L24-V40 HydrophobicContact CD2-CG2 4.1Å; L38-V40 HydrophobicContact CG-CG2 4.35Å; V40-R54 WeakPolarHBondContact O-CB 3.48Å; V40-R54 PolarHBondContact O-N 2.8Å; V40-A55 HydrophobicContact CB-CB 4.21Å; V40-A55 HydrophobicContact CG2-CB 4.23Å; V40-A55 PolarHBondContact N-O 3.3Å |
| 41 | F | 90.6 | Very high | 82.3 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 157.6 | 173.4 | -61 | -89.9 | 0 | 0 | 0 | 111 | R22 W23 V25 V39 D43 K47 E53 | R22-F41 VanDerWaalsContact CD-O 3.28Å; R22-F41 WeakPolarHBondContact CD-O 3.45Å; W23-F41 HydrophobicContact CB-CB 4.22Å; W23-F41 PolarHBondContact N-O 2.92Å; W23-F41 PolarHBondContact O-N 2.86Å; V25-F41 HydrophobicContact CB-CE2 4.3Å; V25-F41 HydrophobicContact CG2-CD2 3.97Å; V25-F41 HydrophobicContact CG2-CE2 3.65Å; V39-F41 HydrophobicContact CB-CE2 3.96Å; V39-F41 HydrophobicContact CG1-CD2 4.09Å; V39-F41 HydrophobicContact CG1-CE1 4.42Å; V39-F41 HydrophobicContact CG1-CE2 3.36Å; V39-F41 HydrophobicContact CG1-CZ 3.56Å; F41-D43 VanDerWaalsContact C-N 3.3Å; F41-K47 HydrophobicContact CD1-CB 3.88Å; F41-K47 HydrophobicContact CD2-CB 4.36Å; F41-K47 HydrophobicContact CE1-CB 3.9Å; F41-K47 HydrophobicContact CE1-CG 4.17Å; F41-K47 HydrophobicContact CE2-CB 4.38Å; F41-K47 HydrophobicContact CE2-CD 4.17Å; F41-K47 HydrophobicContact CE2-CG 4.29Å; F41-K47 HydrophobicContact CG-CB 4.12Å; F41-K47 HydrophobicContact CZ-CB 4.16Å; F41-K47 HydrophobicContact CZ-CD 4.33Å; F41-K47 HydrophobicContact CZ-CG 4Å; F41-E53 HydrophobicContact CE1-CG 3.85Å; F41-E53 HydrophobicContact CZ-CG 3.95Å |
| 42 | K | 88.8 | Confident | 82.1 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -61.1 | -44.3 | 171.9 | -174.2 | -172.2 | 163.5 | -156.7 | 0 | 111 | D46 | K42-D46 WeakPolarHBondContact CB-OD2 3.15Š|
| 43 | D | 87.4 | Confident | 82.3 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -160.2 | 166.4 | -168.2 | -179.9 | 55.6 | 0 | 0 | 0 | 109.4 | Y10 F41 S45 D46 | Y10-D43 PolarHBondContact OH-OD1 3.23Å; F41-D43 VanDerWaalsContact C-N 3.3Å; D43-S45 VanDerWaalsContact C-N 3.27Å; D43-S45 PolarHBondContact O-N 3.1Å; D43-S45 VanDerWaalsContact OD2-CB 3.27Å; D43-S45 WeakPolarHBondContact OD2-CB 3.41Å; D43-S45 PolarHBondContact OD2-N 3.39Å; D43-S45 PolarHBondContact OD2-OG 2.98Å; D43-D46 PolarHBondContact O-N 3.26Å |
| 44 | K | 85.1 | Confident | 82.4 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -32.5 | 175.3 | -168.1 | -179.9 | -173 | -179.9 | 0 | 112.9 | Y10 W23 K47 L48 | Y10-K44 WeakPolarHBondContact OH-CB 3.44Å; W23-K44 HydrophobicContact CD2-CB 3.83Å; W23-K44 HydrophobicContact CD2-CG 4Å; W23-K44 HydrophobicContact CE3-CB 3.74Å; W23-K44 HydrophobicContact CE3-CD 4.26Å; W23-K44 HydrophobicContact CE3-CG 4.05Å; W23-K44 HydrophobicContact CG-CB 4.31Å; W23-K44 HydrophobicContact CH2-CD 3.57Å; W23-K44 HydrophobicContact CH2-CG 3.95Å; W23-K44 HydrophobicContact CZ2-CD 3.96Å; W23-K44 HydrophobicContact CZ2-CG 3.89Å; W23-K44 HydrophobicContact CZ3-CB 4.1Å; W23-K44 HydrophobicContact CZ3-CD 3.73Å; W23-K44 HydrophobicContact CZ3-CG 4.03Å; K44-K47 PolarHBondContact O-N 2.95Å; K44-L48 HydrophobicContact CG-CD1 4.44Å; K44-L48 PolarHBondContact O-N 3.22Å |
| 45 | S | 79.2 | Confident | 82.6 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 179 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | D43 K47 L48 Q49 | D43-S45 VanDerWaalsContact C-N 3.27Å; D43-S45 PolarHBondContact O-N 3.1Å; D43-S45 VanDerWaalsContact OD2-CB 3.27Å; D43-S45 WeakPolarHBondContact OD2-CB 3.41Å; D43-S45 PolarHBondContact OD2-N 3.39Å; D43-S45 PolarHBondContact OD2-OG 2.98Å; S45-K47 PolarHBondContact O-N 2.87Å; S45-L48 PolarHBondContact O-N 2.94Å; S45-L48 VanDerWaalsContact O-N 3.09Å; S45-Q49 PolarHBondContact O-N 3.09Å |
| 46 | D | 78 | Confident | 82.6 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.7 | -32.9 | 178.1 | -81.1 | 25.1 | 0 | 0 | 0 | 112.3 | K42 D43 S50 N51 K52 | K42-D46 WeakPolarHBondContact CB-OD2 3.15Å; D43-D46 PolarHBondContact O-N 3.26Å; D46-S50 CarbonylContact O-C 3.55Å; D46-S50 PolarHBondContact O-N 3.37Å; D46-N51 PolarHBondContact O-N 2.86Å; D46-K52 PolarHBondContact O-N 2.82Å |
| 47 | K | 74.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 22% | 0.217 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.2 | -52.7 | 172.7 | -179.7 | 177.8 | 174.4 | 178.6 | 0 | 111.1 | E8 V25 F41 K44 S45 Q49 N51 | E8-K47 IonicContact OE1-NZ 2.67Å; E8-K47 IonicContact OE2-NZ 2.8Å; E8-K47 PolarHBondContact OE2-NZ 3.42Å; V25-K47 HydrophobicContact CG2-CD 4.06Å; F41-K47 HydrophobicContact CD1-CB 3.88Å; F41-K47 HydrophobicContact CD2-CB 4.36Å; F41-K47 HydrophobicContact CE1-CB 3.9Å; F41-K47 HydrophobicContact CE1-CG 4.17Å; F41-K47 HydrophobicContact CE2-CB 4.38Å; F41-K47 HydrophobicContact CE2-CD 4.17Å; F41-K47 HydrophobicContact CE2-CG 4.29Å; F41-K47 HydrophobicContact CG-CB 4.12Å; F41-K47 HydrophobicContact CZ-CB 4.16Å; F41-K47 HydrophobicContact CZ-CD 4.33Å; F41-K47 HydrophobicContact CZ-CG 4Å; K44-K47 PolarHBondContact O-N 2.95Å; S45-K47 PolarHBondContact O-N 2.87Å; K47-Q49 PolarHBondContact O-N 3.45Å; K47-N51 PolarHBondContact O-N 3.39Å; K47-N51 PolarHBondContact O-OD1 3.48Å |
| 48 | L | 73.9 | Confident | 82.6 | Confident | 136 Ų | 136 | 72.3 Ų | 72.3 | 71% | 0.712 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.7 | -32.7 | -174.4 | -69.8 | 170.7 | 0 | 0 | 0 | 114.2 | K44 S45 | K44-L48 HydrophobicContact CG-CD1 4.44Å; K44-L48 PolarHBondContact O-N 3.22Å; S45-L48 PolarHBondContact O-N 2.94Å; S45-L48 VanDerWaalsContact O-N 3.09Å |
| 49 | Q | 66.7 | Low | 82.5 | Confident | 173 Ų | 173 | 71.9 Ų | 71.9 | 81% | 0.808 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -101.8 | -28.1 | -172.6 | -66 | -175.7 | -10.3 | 0 | 0 | 114.5 | S45 K47 | S45-Q49 PolarHBondContact O-N 3.09Å; K47-Q49 PolarHBondContact O-N 3.45Å |
| 50 | S | 61.7 | Low | 82.5 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 57% | 0.566 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -140.6 | -8.2 | -167.4 | -175.1 | 0 | 0 | 0 | 0 | 115 | D46 K52 | D46-S50 CarbonylContact O-C 3.55Å; D46-S50 PolarHBondContact O-N 3.37Å; S50-K52 PolarHBondContact O-N 2.84Å; S50-K52 VanDerWaalsContact O-N 3.1Å |
| 51 | N | 70.2 | Confident | 82.3 | Confident | 110 Ų | 110 | 80.8 Ų | 80.8 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | trans | 41.8 | 40.8 | -165.8 | -89.1 | -31 | 0 | 0 | 0 | 113.1 | D46 K47 E53 | D46-N51 PolarHBondContact O-N 2.86Å; K47-N51 PolarHBondContact O-N 3.39Å; K47-N51 PolarHBondContact O-OD1 3.48Å; N51-E53 VanDerWaalsContact C-N 3.29Å; N51-E53 PolarHBondContact O-N 2.86Å | ||
| 52 | K | 74.9 | Confident | 82.3 | Confident | 137 Ų | 137 | 80.8 Ų | 80.8 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | trans | -83.4 | 74.9 | -173.7 | -161.6 | 164.3 | -172.4 | 167.2 | 0 | 111.4 | D46 S50 R54 | D46-K52 PolarHBondContact O-N 2.82Å; S50-K52 PolarHBondContact O-N 2.84Å; S50-K52 VanDerWaalsContact O-N 3.1Å; K52-R54 PolarHBondContact O-N 3.06Å | ||
| 53 | E | 83.5 | Confident | 82.3 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | trans | -54.4 | 132.6 | 171.7 | -53.3 | -167.4 | 179.2 | 0 | 0 | 109.8 | V39 F41 N51 S56 | V39-E53 HydrophobicContact CG1-CB 4.05Å; V39-E53 HydrophobicContact CG1-CG 3.48Å; V39-E53 VanDerWaalsContact CG1-CG 3.48Å; V39-E53 WeakPolarHBondContact CG1-OE1 3.37Å; V39-E53 WeakPolarHBondContact CG1-OE2 3.45Å; F41-E53 HydrophobicContact CE1-CG 3.85Å; F41-E53 HydrophobicContact CZ-CG 3.95Å; N51-E53 VanDerWaalsContact C-N 3.29Å; N51-E53 PolarHBondContact O-N 2.86Å; E53-S56 VanDerWaalsContact OE2-CB 3.24Å; E53-S56 WeakPolarHBondContact OE2-CB 3.49Å; E53-S56 PolarHBondContact OE2-OG 2.97Å | ||
| 54 | R | 85.7 | Confident | 82.5 | Confident | 153 Ų | 153 | 72.9 Ų | 72.9 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -92.1 | -31.6 | 174 | -56.8 | -163 | 73.1 | 154.2 | 5.4 | 112.1 | V40 K52 | V40-R54 WeakPolarHBondContact O-CB 3.48Å; V40-R54 PolarHBondContact O-N 2.8Å; K52-R54 PolarHBondContact O-N 3.06Å |
| 55 | A | 86.6 | Confident | 82.8 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 148.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | V40 | V40-A55 HydrophobicContact CB-CB 4.21Å; V40-A55 HydrophobicContact CG2-CB 4.23Å; V40-A55 PolarHBondContact N-O 3.3Å |
| 56 | S | 88.6 | Confident | 83.4 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.7 | 173.1 | -126.7 | 0 | 0 | 0 | 0 | 106.2 | E53 | E53-S56 VanDerWaalsContact OE2-CB 3.24Å; E53-S56 WeakPolarHBondContact OE2-CB 3.49Å; E53-S56 PolarHBondContact OE2-OG 2.97Å |
| 57 | V | 90.6 | Very high | 83.9 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.6 | -175.1 | -179 | 0 | 0 | 0 | 0 | 108.8 | L38 L59 Q85 | L38-V57 PolarHBondContact N-O 2.83Å; L38-V57 PolarHBondContact O-N 3.24Å; V57-L59 HydrophobicContact CG1-CD2 4.12Å; V57-Q85 VanDerWaalsContact CG1-NE2 3.34Å |
| 58 | T | 91.4 | Very high | 84.1 | Confident | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.8 | 168.5 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | V37 E60 | V37-T58 HydrophobicContact CG2-CG2 4.36Å; T58-E60 WeakPolarHBondContact CB-OE1 3.21Å; T58-E60 PolarHBondContact OG1-OE1 3.47Å |
| 59 | L | 91.5 | Very high | 84 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 102.8 | 171.2 | -57.2 | -172.1 | 0 | 0 | 0 | 106.5 | F26 C35 L36 V57 I62 V80 Q85 A87 | F26-L59 HydrophobicContact CE1-CD1 3.78Å; C35-L59 CarbonylContact C-O 3.59Å; C35-L59 WeakPolarHBondContact CA-O 3.29Å; C35-L59 WeakPolarHBondContact CB-O 3.47Å; L36-L59 HydrophobicContact CB-CB 4.47Å; L36-L59 PolarHBondContact N-O 3.14Å; L36-L59 WeakPolarHBondContact O-CB 3.39Å; L36-L59 PolarHBondContact O-N 3.5Å; V57-L59 HydrophobicContact CG1-CD2 4.12Å; L59-I62 HydrophobicContact CB-CD1 3.94Å; L59-I62 HydrophobicContact CB-CG1 4.12Å; L59-I62 WeakPolarHBondContact O-CD1 3.45Å; L59-V80 HydrophobicContact CD1-CB 4.17Å; L59-V80 HydrophobicContact CD1-CG1 3.89Å; L59-Q85 HydrophobicContact CD2-CG 4.42Å; L59-A87 HydrophobicContact CD1-CB 4.06Å; L59-A87 HydrophobicContact CD2-CB 4.15Å |
| 60 | E | 90.5 | Very high | 84.5 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | trans | -110.4 | 153.7 | -178.4 | -69.8 | 161.2 | -133.4 | 0 | 0 | 109.2 | C35 T58 I62 C82 | C35-E60 HydrophobicContact CB-CB 4.41Å; C35-E60 HydrophobicContact CB-CG 3.76Å; T58-E60 WeakPolarHBondContact CB-OE1 3.21Å; T58-E60 PolarHBondContact OG1-OE1 3.47Å; E60-I62 PolarHBondContact O-N 2.77Å; E60-C82 WeakPolarHBondContact O-CB 3.12Å | ||
| 61 | E | 89.2 | Confident | 85.4 | Confident | 104 Ų | 104 | 65.7 Ų | 65.7 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 56 | 47.4 | -177.4 | -52.5 | -178.7 | 125.3 | 0 | 0 | 112.8 | C63 C82 L83 N84 | E61-C63 PolarHBondContact O-N 3.13Å; E61-C63 PolarHBondContact O-SG 2.83Å; E61-C63 VanDerWaalsContact O-SG 3.35Å; E61-C82 WeakPolarHBondContact O-CA 3.33Å; E61-L83 HydrophobicContact CB-CB 4.07Å; E61-L83 HydrophobicContact CB-CD1 3.87Å; E61-L83 HydrophobicContact CB-CG 3.94Å; E61-L83 HydrophobicContact CG-CD1 4.4Å; E61-L83 PolarHBondContact O-N 2.85Å; E61-L83 VanDerWaalsContact O-N 3.08Å; E61-N84 PolarHBondContact OE2-ND2 2.92Å |
| 62 | I | 90.9 | Very high | 85.9 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.4 | -179.2 | -61.4 | 171.7 | 0 | 0 | 0 | 109.2 | L36 L59 E60 V80 L81 L108 C134 | L36-I62 HydrophobicContact CB-CD1 4.04Å; L36-I62 HydrophobicContact CD1-CD1 3.98Å; L36-I62 HydrophobicContact CG-CD1 3.88Å; L59-I62 HydrophobicContact CB-CD1 3.94Å; L59-I62 HydrophobicContact CB-CG1 4.12Å; L59-I62 WeakPolarHBondContact O-CD1 3.45Å; E60-I62 PolarHBondContact O-N 2.77Å; I62-V80 HydrophobicContact CG2-CG1 4.1Å; I62-L81 CarbonylContact C-O 3.56Å; I62-L81 WeakPolarHBondContact CA-O 3.3Å; I62-L81 WeakPolarHBondContact CG2-O 3.42Å; I62-L108 HydrophobicContact CD1-CD2 3.66Å; I62-L108 HydrophobicContact CG2-CD1 3.79Å; I62-L108 HydrophobicContact CG2-CD2 4.38Å; I62-C134 WeakPolarHBondContact O-CB 3.39Å; I62-C134 PolarHBondContact O-SG 2.76Å |
| 63 | C | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -28.6 | -176.2 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | E61 L81 L83 H132 C134 L137 A139 I148 | E61-C63 PolarHBondContact O-N 3.13Å; E61-C63 PolarHBondContact O-SG 2.83Å; E61-C63 VanDerWaalsContact O-SG 3.35Å; C63-L81 HydrophobicContact CB-CB 4.13Å; C63-L81 PolarHBondContact N-O 2.82Å; C63-L83 VanDerWaalsContact SG-CD2 3.51Å; C63-H132 WeakPolarHBondContact O-CB 3.47Å; C63-C134 VanDerWaalsContact C-CB 3.48Å; C63-C134 WeakPolarHBondContact O-CB 3.37Å; C63-L137 HydrophobicContact CB-CD2 4.42Å; C63-A139 HydrophobicContact CB-CB 3.76Å; C63-I148 HydrophobicContact CB-CD1 4.49Å |
| 64 | G | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 179.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L81 | G64-L81 PolarHBondContact N-O 2.97Å; G64-L81 PolarHBondContact O-N 2.9Å |
| 65 | L | 92.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 117.9 | -179.7 | -75.9 | 165.8 | 0 | 0 | 0 | 109.6 | V80 L104 R105 L108 V111 | L65-V80 HydrophobicContact CD2-CB 4.28Å; L65-V80 HydrophobicContact CD2-CG1 4.11Å; L65-V80 HydrophobicContact CD2-CG2 3.87Å; L65-L104 HydrophobicContact CD1-CB 3.62Å; L65-L104 HydrophobicContact CD2-CB 4.1Å; L65-L104 HydrophobicContact CD2-CD1 4.26Å; L65-R105 HydrophobicContact CD1-CB 4.34Å; L65-R105 HydrophobicContact CD1-CG 3.7Å; L65-R105 PolarHBondContact O-NH2 3.16Å; L65-L108 HydrophobicContact CD1-CD1 3.86Å; L65-L108 HydrophobicContact CG-CD1 4.25Å; L65-V111 HydrophobicContact CB-CG1 4.34Å; L65-V111 HydrophobicContact CD1-CG1 4.27Å; L65-V111 HydrophobicContact CG-CG1 4.39Å |
| 66 | E | 90.1 | Very high | 86.4 | Confident | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.2 | -174.9 | -166.2 | 141.4 | -148.4 | 0 | 0 | 112.2 | G68 T79 L81 T130 H132 | E66-G68 PolarHBondContact O-N 3.09Å; E66-G68 VanDerWaalsContact O-N 3.1Å; E66-T79 PolarHBondContact N-O 2.81Å; E66-T79 PolarHBondContact O-N 3.3Å; E66-L81 HydrophobicContact CB-CD1 4.23Å; E66-T130 PolarHBondContact OE1-OG1 3.44Å; E66-H132 IonicContact OE1-NE2 3.56Å; E66-H132 IonicContact OE2-CD2 2.71Å; E66-H132 IonicContact OE2-CE1 3.59Å; E66-H132 PolarHBondContact OE2-CE1 2.88Å; E66-H132 IonicContact OE2-NE2 2.67Å; E66-H132 PolarHBondContact OE2-NE2 2.81Å |
| 67 | A | 88.7 | Confident | 86.6 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 95.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T77 L97 E101 | A67-T77 CarbonylContact C-O 3.58Å; A67-L97 HydrophobicContact CB-CD2 3.8Å; A67-E101 WeakPolarHBondContact CB-OE1 3.45Å; A67-E101 PolarHBondContact N-OE1 3.36Å |
| 68 | G | 78.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 159.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E66 T77 | E66-G68 PolarHBondContact O-N 3.09Å; E66-G68 VanDerWaalsContact O-N 3.1Å; G68-T77 VanDerWaalsContact C-OG1 3.29Å; G68-T77 WeakPolarHBondContact CA-O 3.13Å; G68-T77 WeakPolarHBondContact CA-OG1 3.49Å; G68-T77 PolarHBondContact N-O 2.87Å; G68-T77 PolarHBondContact O-N 3.03Å; G68-T77 VanDerWaalsContact O-O 3.11Å; G68-T77 PolarHBondContact O-OG1 3.1Å |
| 69 | Q | 71.8 | Confident | 86.7 | Confident | 164 Ų | 164 | 44.3 Ų | 44.3 | 77% | 0.766 | 23% | 0.229 | S | C | * | . | trans | -89.9 | -153.2 | 177.5 | -58.7 | -172.4 | 13.6 | 0 | 0 | 110.7 | Y71 A75 T77 | Q69-Y71 PolarHBondContact O-N 3.3Å; Q69-A75 CarbonylContact C-O 3.54Å; Q69-T77 PolarHBondContact O-OG1 3.06Å | ||
| 70 | W | 76.9 | Confident | 86.8 | Confident | 181 Ų | 181 | 44.3 Ų | 44.3 | 69% | 0.686 | 23% | 0.229 | S | C | * | . | trans | -64.4 | 125 | -171.6 | -176.2 | 90.4 | 0 | 0 | 0 | 112.9 | V74 A75 | W70-V74 CarbonylContact C-O 3.58Å; W70-V74 VanDerWaalsContact CA-O 3.32Å; W70-V74 WeakPolarHBondContact CA-O 3.37Å; W70-A75 PolarHBondContact N-O 2.97Å | ||
| 71 | Y | 81 | Confident | 86.9 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -139.4 | 124.3 | -179.7 | -167.6 | -121.9 | 0 | 0 | 0 | 111.8 | R14 W19 Q69 G73 V74 L88 F144 P145 | R14-Y71 VanDerWaalsContact NH1-CE1 3.32Å; R14-Y71 PolarHBondContact NH1-OH 3.03Å; W19-Y71 AromaticContact CZ2-CD1 3.96Å; W19-Y71 HydrophobicContact CZ2-CD1 3.96Å; Q69-Y71 PolarHBondContact O-N 3.3Å; Y71-G73 PolarHBondContact O-N 3.17Å; Y71-G73 VanDerWaalsContact O-N 3.07Å; Y71-V74 PolarHBondContact N-O 3.23Å; Y71-V74 PolarHBondContact O-N 2.87Å; Y71-L88 HydrophobicContact CD1-CD2 3.56Å; Y71-L88 HydrophobicContact CE1-CD2 3.6Å; Y71-F144 AromaticContact CD2-CD1 3.99Å; Y71-F144 HydrophobicContact CD2-CD1 3.99Å; Y71-F144 AromaticContact CD2-CE1 3.57Å; Y71-F144 HydrophobicContact CD2-CE1 3.57Å; Y71-F144 HydrophobicContact CD2-CZ 4.27Å; Y71-F144 AromaticContact CG-CE1 3.83Å; Y71-F144 HydrophobicContact CG-CE1 3.83Å; Y71-F144 HydrophobicContact CG-CZ 4.13Å; Y71-P145 HydrophobicContact CE1-CG 4.05Å; Y71-P145 HydrophobicContact CE2-CG 3.93Å; Y71-P145 VanDerWaalsContact CZ-CG 3.47Å; Y71-P145 WeakPolarHBondContact OH-CG 3.36Å |
| 72 | E | 81.8 | Confident | 87 | Confident | 88 Ų | 88 | 34.7 Ų | 34.7 | 41% | 0.411 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 45.4 | 177.3 | -66 | -173.6 | -157.9 | 0 | 0 | 113.7 | R14 W19 | R14-E72 IonicContact CZ-OE1 3.42Å; R14-E72 IonicContact CZ-OE2 3.47Å; R14-E72 VanDerWaalsContact CZ-OE2 3.25Å; R14-E72 IonicContact NH1-OE1 3.89Å; R14-E72 PolarHBondContact NH1-OE1 2.85Å; R14-E72 IonicContact NH1-OE2 3.46Å; R14-E72 IonicContact NH2-OE1 3.95Å; R14-E72 PolarHBondContact NH2-OE1 3.41Å; R14-E72 IonicContact NH2-OE2 2.72Å; R14-E72 PolarHBondContact NH2-OE2 2.9Å; W19-E72 PolarHBondContact NE1-O 2.62Å |
| 73 | G | 81.1 | Confident | 86.9 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 53% | 0.526 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y71 | Y71-G73 PolarHBondContact O-N 3.17Å; Y71-G73 VanDerWaalsContact O-N 3.07Å |
| 74 | V | 84.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -109.6 | 121.3 | 172 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | W19 W70 Y71 F76 T77 | W19-V74 HydrophobicContact CD2-CG2 3.87Å; W19-V74 HydrophobicContact CG-CG2 3.86Å; W19-V74 HydrophobicContact CZ2-CB 4.31Å; W19-V74 HydrophobicContact CZ2-CG2 4.19Å; W70-V74 CarbonylContact C-O 3.58Å; W70-V74 VanDerWaalsContact CA-O 3.32Å; W70-V74 WeakPolarHBondContact CA-O 3.37Å; Y71-V74 PolarHBondContact N-O 3.23Å; Y71-V74 PolarHBondContact O-N 2.87Å; V74-F76 WeakPolarHBondContact CG1-O 3.49Å; V74-T77 HydrophobicContact CB-CG2 4.43Å; V74-T77 HydrophobicContact CG1-CG2 4.2Å |
| 75 | A | 83.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75.5 | -30.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q69 W70 | Q69-A75 CarbonylContact C-O 3.54Å; W70-A75 PolarHBondContact N-O 2.97Å |
| 76 | F | 91.4 | Very high | 86.4 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 111.5 | -176 | -54.3 | -61.6 | 0 | 0 | 0 | 108.7 | V74 F91 S93 R94 L97 | V74-F76 WeakPolarHBondContact CG1-O 3.49Å; F76-F91 HydrophobicContact CB-CB 4.11Å; F76-F91 PolarHBondContact O-N 2.57Å; F76-S93 VanDerWaalsContact CD2-C 3.49Å; F76-R94 HydrophobicContact CD1-CB 4.05Å; F76-R94 HydrophobicContact CD1-CG 4.44Å; F76-R94 HydrophobicContact CE1-CB 3.74Å; F76-R94 HydrophobicContact CE1-CG 4.24Å; F76-R94 HydrophobicContact CE2-CB 4.46Å; F76-R94 HydrophobicContact CZ-CB 3.96Å; F76-L97 HydrophobicContact CB-CB 4.36Å; F76-L97 HydrophobicContact CB-CD1 3.75Å |
| 77 | T | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133 | 178.5 | 57 | 0 | 0 | 0 | 0 | 111.5 | W19 A67 G68 Q69 V74 L89 L97 | W19-T77 HydrophobicContact CH2-CG2 4.43Å; A67-T77 CarbonylContact C-O 3.58Å; G68-T77 VanDerWaalsContact C-OG1 3.29Å; G68-T77 WeakPolarHBondContact CA-O 3.13Å; G68-T77 WeakPolarHBondContact CA-OG1 3.49Å; G68-T77 PolarHBondContact N-O 2.87Å; G68-T77 PolarHBondContact O-N 3.03Å; G68-T77 VanDerWaalsContact O-O 3.11Å; G68-T77 PolarHBondContact O-OG1 3.1Å; Q69-T77 PolarHBondContact O-OG1 3.06Å; V74-T77 HydrophobicContact CB-CG2 4.43Å; V74-T77 HydrophobicContact CG1-CG2 4.2Å; T77-L89 CarbonylContact C-O 3.57Å; T77-L89 VanDerWaalsContact CA-O 3.29Å; T77-L89 WeakPolarHBondContact CA-O 3.42Å; T77-L97 WeakPolarHBondContact O-CD1 3.36Å |
| 78 | L | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 171.2 | -178.7 | 58 | 0 | 0 | 0 | 108.6 | L89 F91 L97 W100 E101 L104 | L78-L89 HydrophobicContact CB-CB 4.41Å; L78-L89 HydrophobicContact CD2-CD1 4.48Å; L78-L89 PolarHBondContact N-O 3.46Å; L78-L89 WeakPolarHBondContact O-CB 3.46Å; L78-L89 PolarHBondContact O-N 3.39Å; L78-F91 HydrophobicContact CB-CD2 4.31Å; L78-F91 HydrophobicContact CB-CE2 3.81Å; L78-F91 HydrophobicContact CD2-CE2 4.44Å; L78-L97 HydrophobicContact CB-CD1 4.44Å; L78-L97 HydrophobicContact CB-CG 4.32Å; L78-W100 HydrophobicContact CD2-CB 4.06Å; L78-E101 HydrophobicContact CD1-CB 4.03Å; L78-E101 HydrophobicContact CD1-CG 3.8Å; L78-E101 HydrophobicContact CD2-CB 4.13Å; L78-L104 HydrophobicContact CD2-CD1 3.87Å |
| 79 | T | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124 | 179.6 | -43 | 0 | 0 | 0 | 0 | 110 | E66 L81 V86 L88 P146 | E66-T79 PolarHBondContact N-O 2.81Å; E66-T79 PolarHBondContact O-N 3.3Å; T79-L81 HydrophobicContact CG2-CD2 4.19Å; T79-V86 HydrophobicContact CG2-CG1 3.22Å; T79-L88 HydrophobicContact CG2-CD1 4.17Å; T79-L88 VanDerWaalsContact OG1-CD1 3.23Å; T79-L88 WeakPolarHBondContact OG1-CD1 3.23Å; T79-P146 HydrophobicContact CG2-CG 3.58Å |
| 80 | V | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.9 | 167.8 | -166.1 | 0 | 0 | 0 | 0 | 107.6 | F26 L59 I62 L65 A87 | F26-V80 HydrophobicContact CE1-CG2 4.33Å; F26-V80 HydrophobicContact CZ-CG2 4.19Å; L59-V80 HydrophobicContact CD1-CB 4.17Å; L59-V80 HydrophobicContact CD1-CG1 3.89Å; I62-V80 HydrophobicContact CG2-CG1 4.1Å; L65-V80 HydrophobicContact CD2-CB 4.28Å; L65-V80 HydrophobicContact CD2-CG1 4.11Å; L65-V80 HydrophobicContact CD2-CG2 3.87Å; V80-A87 HydrophobicContact CB-CB 4.27Å; V80-A87 PolarHBondContact N-O 3.02Å; V80-A87 PolarHBondContact O-N 3.32Å |
| 81 | L | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.9 | -175.4 | -62.1 | 161.8 | 0 | 0 | 0 | 108.9 | I62 C63 G64 E66 T79 H132 V141 P146 | I62-L81 CarbonylContact C-O 3.56Å; I62-L81 WeakPolarHBondContact CA-O 3.3Å; I62-L81 WeakPolarHBondContact CG2-O 3.42Å; C63-L81 HydrophobicContact CB-CB 4.13Å; C63-L81 PolarHBondContact N-O 2.82Å; G64-L81 PolarHBondContact N-O 2.97Å; G64-L81 PolarHBondContact O-N 2.9Å; E66-L81 HydrophobicContact CB-CD1 4.23Å; T79-L81 HydrophobicContact CG2-CD2 4.19Å; L81-H132 VanDerWaalsContact CD1-CE1 3.49Å; L81-H132 WeakPolarHBondContact CD1-CE1 3.28Å; L81-H132 VanDerWaalsContact CD1-NE2 3.34Å; L81-H132 WeakPolarHBondContact CD1-NE2 3.48Å; L81-V141 HydrophobicContact CD1-CG1 4.45Å; L81-V141 HydrophobicContact CD1-CG2 4.24Å; L81-V141 HydrophobicContact CD2-CG1 4.27Å; L81-P146 HydrophobicContact CD2-CB 3.77Å; L81-P146 HydrophobicContact CD2-CG 3.57Å |
| 82 | C | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 150.2 | 174.6 | -27.3 | 0 | 0 | 0 | 0 | 108.5 | E60 E61 N84 Q85 I148 | E60-C82 WeakPolarHBondContact O-CB 3.12Å; E61-C82 WeakPolarHBondContact O-CA 3.33Å; C82-N84 PolarHBondContact O-N 2.84Å; C82-Q85 CarbonylContact C-O 3.52Å; C82-Q85 WeakPolarHBondContact CA-O 3.17Å; C82-Q85 HydrophobicContact CB-CG 4.24Å; C82-Q85 WeakPolarHBondContact CB-O 3.32Å; C82-Q85 PolarHBondContact N-O 3.1Å; C82-Q85 VanDerWaalsContact N-O 3.09Å; C82-Q85 PolarHBondContact O-N 2.75Å; C82-Q85 VanDerWaalsContact O-O 3.04Å; C82-Q85 PolarHBondContact SG-O 3.28Å; C82-I148 WeakPolarHBondContact O-CD1 3.14Å |
| 83 | L | 88.2 | Confident | 89.7 | Confident | 45 Ų | 45 | 32.1 Ų | 32.1 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -40.8 | -176.3 | -69.6 | -179.1 | 0 | 0 | 0 | 112.7 | E61 C63 L137 I148 H151 | E61-L83 HydrophobicContact CB-CB 4.07Å; E61-L83 HydrophobicContact CB-CD1 3.87Å; E61-L83 HydrophobicContact CB-CG 3.94Å; E61-L83 HydrophobicContact CG-CD1 4.4Å; E61-L83 PolarHBondContact O-N 2.85Å; E61-L83 VanDerWaalsContact O-N 3.08Å; C63-L83 VanDerWaalsContact SG-CD2 3.51Å; L83-L137 HydrophobicContact CD1-CD1 4.4Å; L83-L137 HydrophobicContact CD1-CD2 4.2Å; L83-L137 HydrophobicContact CD2-CD2 4.44Å; L83-L137 HydrophobicContact CG-CD2 4.11Å; L83-I148 HydrophobicContact CD2-CD1 4.35Å; L83-H151 HydrophobicContact CD2-CB 3.63Å |
| 84 | N | 85.6 | Confident | 90.1 | Very high | 124 Ų | 124 | 36.6 Ų | 36.6 | 66% | 0.663 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -13.9 | -174.8 | -56.3 | -61.7 | 0 | 0 | 0 | 114.1 | E61 C82 | E61-N84 PolarHBondContact OE2-ND2 2.92Å; C82-N84 PolarHBondContact O-N 2.84Å |
| 85 | Q | 87.4 | Confident | 90.5 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 150.4 | -172.9 | 55.2 | -175.5 | 80.7 | 0 | 0 | 114 | V57 L59 C82 | V57-Q85 VanDerWaalsContact CG1-NE2 3.34Å; L59-Q85 HydrophobicContact CD2-CG 4.42Å; C82-Q85 CarbonylContact C-O 3.52Å; C82-Q85 WeakPolarHBondContact CA-O 3.17Å; C82-Q85 HydrophobicContact CB-CG 4.24Å; C82-Q85 WeakPolarHBondContact CB-O 3.32Å; C82-Q85 PolarHBondContact N-O 3.1Å; C82-Q85 VanDerWaalsContact N-O 3.09Å; C82-Q85 PolarHBondContact O-N 2.75Å; C82-Q85 VanDerWaalsContact O-O 3.04Å; C82-Q85 PolarHBondContact SG-O 3.28Å |
| 86 | V | 88.3 | Confident | 90.9 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.5 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | T79 P146 | T79-V86 HydrophobicContact CG2-CG1 3.22Å; V86-P146 HydrophobicContact CG1-CG 4.48Å |
| 87 | A | 89.8 | Confident | 90.9 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L59 V80 | L59-A87 HydrophobicContact CD1-CB 4.06Å; L59-A87 HydrophobicContact CD2-CB 4.15Å; V80-A87 HydrophobicContact CB-CB 4.27Å; V80-A87 PolarHBondContact N-O 3.02Å; V80-A87 PolarHBondContact O-N 3.32Å |
| 88 | L | 91.1 | Very high | 91 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123.8 | -174.6 | -171.1 | 67.8 | 0 | 0 | 0 | 111.9 | W19 Y71 T79 | W19-L88 HydrophobicContact CH2-CD2 3.86Å; W19-L88 HydrophobicContact CH2-CG 4.04Å; W19-L88 HydrophobicContact CZ2-CD2 4.43Å; Y71-L88 HydrophobicContact CD1-CD2 3.56Å; Y71-L88 HydrophobicContact CE1-CD2 3.6Å; T79-L88 HydrophobicContact CG2-CD1 4.17Å; T79-L88 VanDerWaalsContact OG1-CD1 3.23Å; T79-L88 WeakPolarHBondContact OG1-CD1 3.23Å |
| 89 | L | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.2 | -177.7 | -47.6 | 178.4 | 0 | 0 | 0 | 109.9 | L13 L24 F26 T77 L78 F91 W100 | L13-L89 HydrophobicContact CD2-CD2 3.61Å; L24-L89 HydrophobicContact CD1-CD2 3.79Å; F26-L89 HydrophobicContact CE2-CD1 3.65Å; F26-L89 HydrophobicContact CE2-CD2 4.42Å; F26-L89 HydrophobicContact CZ-CD1 3.83Å; F26-L89 HydrophobicContact CZ-CD2 4.33Å; T77-L89 CarbonylContact C-O 3.57Å; T77-L89 VanDerWaalsContact CA-O 3.29Å; T77-L89 WeakPolarHBondContact CA-O 3.42Å; L78-L89 HydrophobicContact CB-CB 4.41Å; L78-L89 HydrophobicContact CD2-CD1 4.48Å; L78-L89 PolarHBondContact N-O 3.46Å; L78-L89 WeakPolarHBondContact O-CB 3.46Å; L78-L89 PolarHBondContact O-N 3.39Å; L89-F91 HydrophobicContact CB-CD2 4.48Å; L89-F91 HydrophobicContact CB-CE2 3.69Å; L89-F91 HydrophobicContact CB-CZ 4.29Å; L89-F91 HydrophobicContact CD1-CE2 4.32Å; L89-F91 HydrophobicContact CD1-CZ 4.38Å; L89-W100 HydrophobicContact CD1-CE3 4.37Å |
| 90 | G | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R12 | R12-G90 WeakPolarHBondContact CB-O 3.42Å; R12-G90 PolarHBondContact N-O 2.85Å; R12-G90 PolarHBondContact O-N 3.16Å |
| 91 | F | 92.3 | Very high | 91 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 153.1 | 178.8 | -68.7 | -86.9 | 0 | 0 | 0 | 112.1 | A11 F76 L78 L89 A96 L97 W100 | A11-F91 HydrophobicContact CB-CD1 4.38Å; A11-F91 HydrophobicContact CB-CE1 3.82Å; A11-F91 HydrophobicContact CB-CZ 3.95Å; F76-F91 HydrophobicContact CB-CB 4.11Å; F76-F91 PolarHBondContact O-N 2.57Å; L78-F91 HydrophobicContact CB-CD2 4.31Å; L78-F91 HydrophobicContact CB-CE2 3.81Å; L78-F91 HydrophobicContact CD2-CE2 4.44Å; L89-F91 HydrophobicContact CB-CD2 4.48Å; L89-F91 HydrophobicContact CB-CE2 3.69Å; L89-F91 HydrophobicContact CB-CZ 4.29Å; L89-F91 HydrophobicContact CD1-CE2 4.32Å; L89-F91 HydrophobicContact CD1-CZ 4.38Å; F91-A96 HydrophobicContact CD1-CB 4.02Å; F91-L97 HydrophobicContact CB-CB 4.12Å; F91-L97 HydrophobicContact CD2-CB 4.01Å; F91-L97 HydrophobicContact CD2-CD1 4.47Å; F91-L97 HydrophobicContact CD2-CG 4.37Å; F91-L97 HydrophobicContact CG-CB 4.07Å; F91-W100 HydrophobicContact CE1-CB 4.41Å; F91-W100 AromaticContact CE1-CD1 3.84Å; F91-W100 AromaticContact CE1-CD2 3.72Å; F91-W100 HydrophobicContact CE1-CD2 3.72Å; F91-W100 AromaticContact CE1-CE2 3.78Å; F91-W100 HydrophobicContact CE1-CE3 4.32Å; F91-W100 AromaticContact CE1-CG 3.75Å; F91-W100 HydrophobicContact CE1-CG 3.75Å; F91-W100 HydrophobicContact CE1-CZ2 4.41Å; F91-W100 AromaticContact CE1-NE1 3.83Å; F91-W100 HydrophobicContact CZ-CB 3.98Å; F91-W100 AromaticContact CZ-CD2 3.55Å; F91-W100 HydrophobicContact CZ-CD2 3.55Å; F91-W100 AromaticContact CZ-CE3 3.79Å; F91-W100 HydrophobicContact CZ-CE3 3.79Å; F91-W100 AromaticContact CZ-CG 3.65Å; F91-W100 HydrophobicContact CZ-CG 3.65Å; F91-W100 HydrophobicContact CZ-CZ3 4.5Å |
| 92 | D | 90 | Very high | 90.9 | Very high | 108 Ų | 108 | 50 Ų | 50 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -92.9 | -17.9 | -177.5 | -67 | 38.1 | 0 | 0 | 0 | 111.9 | R12 | R12-D92 IonicContact CZ-OD1 3.68Å; R12-D92 IonicContact CZ-OD2 3.56Å; R12-D92 IonicContact NE-OD1 2.7Å; R12-D92 PolarHBondContact NE-OD1 3.44Å; R12-D92 IonicContact NE-OD2 2.75Å; R12-D92 IonicContact NH2-OD1 3.84Å; R12-D92 PolarHBondContact NH2-OD1 2.85Å; R12-D92 IonicContact NH2-OD2 3.56Å; R12-D92 PolarHBondContact NH2-OD2 3.09Å |
| 93 | S | 90.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -136.9 | 153 | 177.8 | 110.4 | 0 | 0 | 0 | 0 | 111.4 | F76 E95 A96 L97 | F76-S93 VanDerWaalsContact CD2-C 3.49Å; S93-E95 WeakPolarHBondContact CB-OE2 3.35Å; S93-E95 PolarHBondContact OG-N 3.14Å; S93-E95 PolarHBondContact OG-OE2 3.49Å; S93-A96 PolarHBondContact OG-N 3.35Å; S93-A96 VanDerWaalsContact OG-N 3.16Å; S93-L97 PolarHBondContact O-N 2.7Å |
| 94 | R | 90.5 | Very high | 91 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 54% | 0.543 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.5 | -37 | -179.4 | -175.6 | -177.6 | 176.6 | 162.5 | 2 | 111.5 | F76 L97 Q98 | F76-R94 HydrophobicContact CD1-CB 4.05Å; F76-R94 HydrophobicContact CD1-CG 4.44Å; F76-R94 HydrophobicContact CE1-CB 3.74Å; F76-R94 HydrophobicContact CE1-CG 4.24Å; F76-R94 HydrophobicContact CE2-CB 4.46Å; F76-R94 HydrophobicContact CZ-CB 3.96Å; R94-L97 WeakPolarHBondContact O-CB 3.44Å; R94-L97 PolarHBondContact O-N 3.06Å; R94-Q98 HydrophobicContact CG-CG 4.43Å; R94-Q98 WeakPolarHBondContact O-CB 3.08Å; R94-Q98 WeakPolarHBondContact O-CG 3.27Å; R94-Q98 PolarHBondContact O-N 3.35Å |
| 95 | E | 92.1 | Very high | 91.2 | Very high | 123 Ų | 123 | 49.7 Ų | 49.7 | 58% | 0.575 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.7 | -39.6 | -177.9 | -48.8 | 66.5 | -137.6 | 0 | 0 | 110 | S93 Q98 A99 | S93-E95 WeakPolarHBondContact CB-OE2 3.35Å; S93-E95 PolarHBondContact OG-N 3.14Å; S93-E95 PolarHBondContact OG-OE2 3.49Å; E95-Q98 PolarHBondContact O-N 3.04Å; E95-A99 WeakPolarHBondContact O-CB 3.25Å; E95-A99 PolarHBondContact O-N 3.08Å |
| 96 | A | 91.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -49 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F91 S93 Q98 A99 W100 | F91-A96 HydrophobicContact CD1-CB 4.02Å; S93-A96 PolarHBondContact OG-N 3.35Å; S93-A96 VanDerWaalsContact OG-N 3.16Å; A96-Q98 PolarHBondContact O-N 3.06Å; A96-A99 PolarHBondContact O-N 3.32Å; A96-W100 PolarHBondContact O-N 3.14Å |
| 97 | L | 93.1 | Very high | 91 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 175.5 | 174.2 | 155.3 | 0 | 0 | 0 | 111.6 | A67 F76 T77 L78 F91 S93 R94 A99 W100 E101 | A67-L97 HydrophobicContact CB-CD2 3.8Å; F76-L97 HydrophobicContact CB-CB 4.36Å; F76-L97 HydrophobicContact CB-CD1 3.75Å; T77-L97 WeakPolarHBondContact O-CD1 3.36Å; L78-L97 HydrophobicContact CB-CD1 4.44Å; L78-L97 HydrophobicContact CB-CG 4.32Å; F91-L97 HydrophobicContact CB-CB 4.12Å; F91-L97 HydrophobicContact CD2-CB 4.01Å; F91-L97 HydrophobicContact CD2-CD1 4.47Å; F91-L97 HydrophobicContact CD2-CG 4.37Å; F91-L97 HydrophobicContact CG-CB 4.07Å; S93-L97 PolarHBondContact O-N 2.7Å; R94-L97 WeakPolarHBondContact O-CB 3.44Å; R94-L97 PolarHBondContact O-N 3.06Å; L97-A99 PolarHBondContact O-N 2.74Å; L97-W100 PolarHBondContact O-N 2.71Å; L97-E101 WeakPolarHBondContact O-CB 3.42Å; L97-E101 PolarHBondContact O-N 2.8Å |
| 98 | Q | 92.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.1 | -39.4 | -178 | -72.5 | 177.8 | -57 | 0 | 0 | 111.9 | R94 E95 A96 W100 E101 L102 | R94-Q98 HydrophobicContact CG-CG 4.43Å; R94-Q98 WeakPolarHBondContact O-CB 3.08Å; R94-Q98 WeakPolarHBondContact O-CG 3.27Å; R94-Q98 PolarHBondContact O-N 3.35Å; E95-Q98 PolarHBondContact O-N 3.04Å; A96-Q98 PolarHBondContact O-N 3.06Å; Q98-W100 VanDerWaalsContact C-N 3.31Å; Q98-W100 PolarHBondContact O-N 3.35Å; Q98-E101 PolarHBondContact O-N 2.92Å; Q98-L102 WeakPolarHBondContact O-CB 3.36Å; Q98-L102 VanDerWaalsContact O-CG 3.28Å; Q98-L102 WeakPolarHBondContact O-CG 3.25Å; Q98-L102 PolarHBondContact O-N 3.17Å |
| 99 | A | 92.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 46 Ų | 46 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -33.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E95 A96 L97 R103 | E95-A99 WeakPolarHBondContact O-CB 3.25Å; E95-A99 PolarHBondContact O-N 3.08Å; A96-A99 PolarHBondContact O-N 3.32Å; L97-A99 PolarHBondContact O-N 2.74Å; A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 VanDerWaalsContact O-CD 3.29Å; A99-R103 WeakPolarHBondContact O-CD 3.46Å; A99-R103 WeakPolarHBondContact O-CG 3.29Å; A99-R103 PolarHBondContact O-N 2.9Å; A99-R103 PolarHBondContact O-NE 3.49Å |
| 100 | W | 94.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.2 | -46.2 | 173.1 | -80.3 | 56.8 | 0 | 0 | 0 | 111.8 | V7 E8 L24 F26 L78 L89 F91 A96 L97 Q98 L102 R103 L104 | V7-W100 HydrophobicContact CB-CD2 4.49Å; V7-W100 HydrophobicContact CB-CE3 4.48Å; V7-W100 HydrophobicContact CG1-CD2 4.12Å; V7-W100 HydrophobicContact CG1-CE3 3.69Å; V7-W100 HydrophobicContact CG1-CZ3 4.03Å; V7-W100 HydrophobicContact CG2-CD2 3.52Å; V7-W100 HydrophobicContact CG2-CE3 3.93Å; V7-W100 HydrophobicContact CG2-CG 3.8Å; V7-W100 HydrophobicContact CG2-CH2 4.44Å; V7-W100 HydrophobicContact CG2-CZ2 4.11Å; V7-W100 HydrophobicContact CG2-CZ3 4.37Å; E8-W100 VanDerWaalsContact C-CZ2 3.48Å; L24-W100 HydrophobicContact CB-CH2 3.99Å; L24-W100 HydrophobicContact CB-CZ3 4.29Å; F26-W100 HydrophobicContact CD2-CE3 4.2Å; F26-W100 AromaticContact CD2-CZ3 3.72Å; F26-W100 HydrophobicContact CD2-CZ3 3.72Å; F26-W100 HydrophobicContact CE2-CE3 4.24Å; F26-W100 AromaticContact CE2-CZ3 3.82Å; F26-W100 HydrophobicContact CE2-CZ3 3.82Å; L78-W100 HydrophobicContact CD2-CB 4.06Å; L89-W100 HydrophobicContact CD1-CE3 4.37Å; F91-W100 HydrophobicContact CE1-CB 4.41Å; F91-W100 AromaticContact CE1-CD1 3.84Å; F91-W100 AromaticContact CE1-CD2 3.72Å; F91-W100 HydrophobicContact CE1-CD2 3.72Å; F91-W100 AromaticContact CE1-CE2 3.78Å; F91-W100 HydrophobicContact CE1-CE3 4.32Å; F91-W100 AromaticContact CE1-CG 3.75Å; F91-W100 HydrophobicContact CE1-CG 3.75Å; F91-W100 HydrophobicContact CE1-CZ2 4.41Å; F91-W100 AromaticContact CE1-NE1 3.83Å; F91-W100 HydrophobicContact CZ-CB 3.98Å; F91-W100 AromaticContact CZ-CD2 3.55Å; F91-W100 HydrophobicContact CZ-CD2 3.55Å; F91-W100 AromaticContact CZ-CE3 3.79Å; F91-W100 HydrophobicContact CZ-CE3 3.79Å; F91-W100 AromaticContact CZ-CG 3.65Å; F91-W100 HydrophobicContact CZ-CG 3.65Å; F91-W100 HydrophobicContact CZ-CZ3 4.5Å; A96-W100 PolarHBondContact O-N 3.14Å; L97-W100 PolarHBondContact O-N 2.71Å; Q98-W100 VanDerWaalsContact C-N 3.31Å; Q98-W100 PolarHBondContact O-N 3.35Å; W100-L102 PolarHBondContact O-N 3.44Å; W100-R103 PolarHBondContact O-N 3.29Å; W100-L104 WeakPolarHBondContact O-CB 3.4Å; W100-L104 VanDerWaalsContact O-CG 3.29Å; W100-L104 WeakPolarHBondContact O-CG 3.33Å; W100-L104 PolarHBondContact O-N 2.97Å |
| 101 | E | 92.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 178.8 | -167.1 | -165.7 | -142 | 0 | 0 | 111.4 | A67 L78 L97 Q98 L104 R105 | A67-E101 WeakPolarHBondContact CB-OE1 3.45Å; A67-E101 PolarHBondContact N-OE1 3.36Å; L78-E101 HydrophobicContact CD1-CB 4.03Å; L78-E101 HydrophobicContact CD1-CG 3.8Å; L78-E101 HydrophobicContact CD2-CB 4.13Å; L97-E101 WeakPolarHBondContact O-CB 3.42Å; L97-E101 PolarHBondContact O-N 2.8Å; Q98-E101 PolarHBondContact O-N 2.92Å; E101-L104 PolarHBondContact O-N 2.75Å; E101-R105 VanDerWaalsContact CD-CZ 3.41Å; E101-R105 WeakPolarHBondContact O-CG 3.34Å; E101-R105 PolarHBondContact O-N 2.83Å; E101-R105 IonicContact OE1-CZ 3.86Å; E101-R105 IonicContact OE1-NH1 3.58Å; E101-R105 PolarHBondContact OE1-NH1 2.8Å; E101-R105 IonicContact OE1-NH2 2.76Å; E101-R105 PolarHBondContact OE1-NH2 3.47Å; E101-R105 IonicContact OE2-CZ 3.67Å; E101-R105 IonicContact OE2-NH1 3.17Å; E101-R105 PolarHBondContact OE2-NH1 3.09Å; E101-R105 IonicContact OE2-NH2 3.77Å |
| 102 | L | 90.4 | Very high | 90 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.6 | -73.6 | 167.3 | 0 | 0 | 0 | 112.7 | Q98 W100 L104 Y106 | Q98-L102 WeakPolarHBondContact O-CB 3.36Å; Q98-L102 VanDerWaalsContact O-CG 3.28Å; Q98-L102 WeakPolarHBondContact O-CG 3.25Å; Q98-L102 PolarHBondContact O-N 3.17Å; W100-L102 PolarHBondContact O-N 3.44Å; L102-L104 VanDerWaalsContact C-N 3.35Å; L102-Y106 WeakPolarHBondContact O-CB 3.3Å; L102-Y106 PolarHBondContact O-N 2.76Å |
| 103 | R | 90.9 | Very high | 90.1 | Very high | 113 Ų | 113 | 49.5 Ų | 49.5 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.8 | -72.1 | 170.3 | -160.2 | -166.5 | 6 | 111.8 | V6 V7 A99 W100 G107 | V6-R103 VanDerWaalsContact CG1-O 3.22Å; V6-R103 WeakPolarHBondContact CG1-O 3.2Å; V7-R103 HydrophobicContact CB-CB 4.11Å; A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 VanDerWaalsContact O-CD 3.29Å; A99-R103 WeakPolarHBondContact O-CD 3.46Å; A99-R103 WeakPolarHBondContact O-CG 3.29Å; A99-R103 PolarHBondContact O-N 2.9Å; A99-R103 PolarHBondContact O-NE 3.49Å; W100-R103 PolarHBondContact O-N 3.29Å; R103-G107 PolarHBondContact O-N 3.4Å |
| 104 | L | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71 | -42.4 | 178.8 | -72.9 | 166.3 | 0 | 0 | 0 | 111.8 | V6 V7 F26 L36 L65 L78 W100 E101 L102 G107 L108 | V6-L104 HydrophobicContact CG1-CD2 4.21Å; V7-L104 HydrophobicContact CG1-CD1 4.34Å; V7-L104 HydrophobicContact CG1-CD2 3.85Å; V7-L104 HydrophobicContact CG1-CG 3.87Å; F26-L104 HydrophobicContact CB-CD2 3.94Å; F26-L104 HydrophobicContact CD1-CD2 3.97Å; F26-L104 HydrophobicContact CD2-CD2 4.22Å; F26-L104 HydrophobicContact CG-CD2 3.79Å; L36-L104 HydrophobicContact CD1-CD2 3.78Å; L65-L104 HydrophobicContact CD1-CB 3.62Å; L65-L104 HydrophobicContact CD2-CB 4.1Å; L65-L104 HydrophobicContact CD2-CD1 4.26Å; L78-L104 HydrophobicContact CD2-CD1 3.87Å; W100-L104 WeakPolarHBondContact O-CB 3.4Å; W100-L104 VanDerWaalsContact O-CG 3.29Å; W100-L104 WeakPolarHBondContact O-CG 3.33Å; W100-L104 PolarHBondContact O-N 2.97Å; E101-L104 PolarHBondContact O-N 2.75Å; L102-L104 VanDerWaalsContact C-N 3.35Å; L104-G107 PolarHBondContact O-N 2.87Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 3.28Å |
| 105 | R | 89.2 | Confident | 90.3 | Very high | 52 Ų | 52 | 44 Ų | 44 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.5 | -54.1 | 170.8 | -73.9 | -168.3 | 179.1 | 100 | 18.2 | 110.7 | L65 E101 G107 L108 G109 V111 | L65-R105 HydrophobicContact CD1-CB 4.34Å; L65-R105 HydrophobicContact CD1-CG 3.7Å; L65-R105 PolarHBondContact O-NH2 3.16Å; E101-R105 VanDerWaalsContact CD-CZ 3.41Å; E101-R105 WeakPolarHBondContact O-CG 3.34Å; E101-R105 PolarHBondContact O-N 2.83Å; E101-R105 IonicContact OE1-CZ 3.86Å; E101-R105 IonicContact OE1-NH1 3.58Å; E101-R105 PolarHBondContact OE1-NH1 2.8Å; E101-R105 IonicContact OE1-NH2 2.76Å; E101-R105 PolarHBondContact OE1-NH2 3.47Å; E101-R105 IonicContact OE2-CZ 3.67Å; E101-R105 IonicContact OE2-NH1 3.17Å; E101-R105 PolarHBondContact OE2-NH1 3.09Å; E101-R105 IonicContact OE2-NH2 3.77Å; R105-G107 VanDerWaalsContact C-N 3.27Å; R105-G107 PolarHBondContact O-N 3.38Å; R105-L108 PolarHBondContact O-N 2.86Å; R105-G109 PolarHBondContact O-N 2.95Å; R105-V111 HydrophobicContact CB-CB 4.46Å; R105-V111 WeakPolarHBondContact CD-O 3.49Å; R105-V111 HydrophobicContact CG-CB 4.14Å; R105-V111 HydrophobicContact CG-CG1 4.44Å |
| 106 | Y | 85.7 | Confident | 90.5 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 29% | 0.286 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.7 | -33.9 | 178.2 | -173.3 | -89.4 | 0 | 0 | 0 | 112.6 | L102 R207 P214 L216 | L102-Y106 WeakPolarHBondContact O-CB 3.3Å; L102-Y106 PolarHBondContact O-N 2.76Å; Y106-R207 VanDerWaalsContact CD2-NH2 3.28Å; Y106-R207 VanDerWaalsContact CE2-NH2 3.28Å; Y106-R207 VanDerWaalsContact CG-NH2 3.34Å; Y106-R207 VanDerWaalsContact CZ-NH2 3.35Å; Y106-R207 PolarHBondContact O-NH2 3.42Å; Y106-P214 HydrophobicContact CE2-CG 4.43Å; Y106-L216 HydrophobicContact CD1-CD1 4.43Å; Y106-L216 HydrophobicContact CD1-CD2 3.97Å; Y106-L216 HydrophobicContact CD2-CD2 3.85Å; Y106-L216 HydrophobicContact CE1-CD1 4.32Å; Y106-L216 HydrophobicContact CE1-CD2 4.31Å; Y106-L216 HydrophobicContact CE2-CD2 4.19Å; Y106-L216 HydrophobicContact CG-CD2 3.72Å |
| 107 | G | 85.7 | Confident | 90.6 | Very high | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -53.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K28 R103 L104 R105 | K28-G107 WeakPolarHBondContact CE-O 3.24Å; K28-G107 PolarHBondContact NZ-O 3.07Å; R103-G107 PolarHBondContact O-N 3.4Å; L104-G107 PolarHBondContact O-N 2.87Å; R105-G107 VanDerWaalsContact C-N 3.27Å; R105-G107 PolarHBondContact O-N 3.38Å |
| 108 | L | 85.9 | Confident | 90.6 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -48 | -174.4 | -70.4 | 170.8 | 0 | 0 | 0 | 113 | L36 I62 L65 L104 R105 V111 N135 | L36-L108 HydrophobicContact CD1-CD1 4.45Å; L36-L108 HydrophobicContact CD1-CD2 3.77Å; L36-L108 HydrophobicContact CD1-CG 4.14Å; L36-L108 HydrophobicContact CD2-CD2 4.45Å; L36-L108 HydrophobicContact CG-CD2 3.84Å; I62-L108 HydrophobicContact CD1-CD2 3.66Å; I62-L108 HydrophobicContact CG2-CD1 3.79Å; I62-L108 HydrophobicContact CG2-CD2 4.38Å; L65-L108 HydrophobicContact CD1-CD1 3.86Å; L65-L108 HydrophobicContact CG-CD1 4.25Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 3.28Å; R105-L108 PolarHBondContact O-N 2.86Å; L108-V111 HydrophobicContact CB-CG2 3.53Å; L108-V111 HydrophobicContact CD1-CG2 3.98Å; L108-V111 HydrophobicContact CG-CG2 4.41Å; L108-N135 PolarHBondContact O-ND2 3.24Å; L108-N135 VanDerWaalsContact O-ND2 3.17Å |
| 109 | G | 85.4 | Confident | 90.5 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 140.4 | -123.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | R105 | R105-G109 PolarHBondContact O-N 2.95Š|
| 110 | E | 85.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -90 | 101.3 | 172.4 | -66.4 | -62 | 137.3 | 0 | 0 | 108.4 | H112 C134 N135 I199 C204 P205 S206 | E110-H112 IonicContact OE2-CD2 3.65Å; E110-H112 IonicContact OE2-CE1 3.23Å; E110-H112 IonicContact OE2-NE2 3.33Å; E110-H112 PolarHBondContact OE2-NE2 2.82Å; E110-C134 WeakPolarHBondContact O-CA 3.3Å; E110-N135 PolarHBondContact N-OD1 2.91Å; E110-N135 PolarHBondContact O-N 3.39Å; E110-N135 PolarHBondContact O-OD1 3.43Å; E110-I199 HydrophobicContact CB-CD1 4.34Å; E110-C204 HydrophobicContact CG-CB 3.99Å; E110-C204 VanDerWaalsContact OE1-CB 3.29Å; E110-C204 WeakPolarHBondContact OE1-CB 3.3Å; E110-P205 WeakPolarHBondContact OE2-CD 3.46Å; E110-S206 VanDerWaalsContact CD-OG 3.27Å; E110-S206 WeakPolarHBondContact OE1-CB 3.36Å; E110-S206 PolarHBondContact OE1-N 2.92Å; E110-S206 PolarHBondContact OE1-OG 3.45Å; E110-S206 PolarHBondContact OE2-N 3.4Å; E110-S206 PolarHBondContact OE2-OG 3.46Å |
| 111 | V | 90.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 102.6 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | L65 R105 L108 L133 C134 | L65-V111 HydrophobicContact CB-CG1 4.34Å; L65-V111 HydrophobicContact CD1-CG1 4.27Å; L65-V111 HydrophobicContact CG-CG1 4.39Å; R105-V111 HydrophobicContact CB-CB 4.46Å; R105-V111 WeakPolarHBondContact CD-O 3.49Å; R105-V111 HydrophobicContact CG-CB 4.14Å; R105-V111 HydrophobicContact CG-CG1 4.44Å; L108-V111 HydrophobicContact CB-CG2 3.53Å; L108-V111 HydrophobicContact CD1-CG2 3.98Å; L108-V111 HydrophobicContact CG-CG2 4.41Å; V111-L133 WeakPolarHBondContact CA-O 3.29Å; V111-C134 HydrophobicContact CG1-CB 4.47Å; V111-C134 HydrophobicContact CG2-CB 4.38Å |
| 112 | H | 90.9 | Very high | 88.9 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.1 | -172.2 | -60.5 | -88.3 | 0 | 0 | 0 | 111.1 | E110 F114 H132 L133 L195 | E110-H112 IonicContact OE2-CD2 3.65Å; E110-H112 IonicContact OE2-CE1 3.23Å; E110-H112 IonicContact OE2-NE2 3.33Å; E110-H112 PolarHBondContact OE2-NE2 2.82Å; H112-F114 HydrophobicContact CB-CE2 3.77Å; H112-F114 HydrophobicContact CB-CZ 4.12Å; H112-H132 WeakPolarHBondContact O-CA 3.36Å; H112-L133 PolarHBondContact N-O 3.2Å; H112-L133 PolarHBondContact O-N 3.48Å; H112-L195 HydrophobicContact CB-CD2 3.57Å; H112-L195 VanDerWaalsContact CG-CD2 3.45Å |
| 113 | R | 91.8 | Very high | 88.5 | Confident | 125 Ų | 125 | 46.1 Ų | 46.1 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.7 | 178.1 | 71.9 | -176.3 | -173.5 | 89.6 | 11 | 110.2 | T130 L131 | R113-T130 HydrophobicContact CB-CG2 3.97Å; R113-L131 CarbonylContact C-O 3.57Å; R113-L131 VanDerWaalsContact CA-O 3.31Å; R113-L131 WeakPolarHBondContact CA-O 3.2Å |
| 114 | F | 93.3 | Very high | 88.3 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143 | -178 | -57.1 | -86.8 | 0 | 0 | 0 | 110.9 | H112 V116 T130 L131 E188 I192 L195 | H112-F114 HydrophobicContact CB-CE2 3.77Å; H112-F114 HydrophobicContact CB-CZ 4.12Å; F114-V116 HydrophobicContact CB-CG1 4.35Å; F114-T130 WeakPolarHBondContact O-CA 3.37Å; F114-L131 HydrophobicContact CB-CB 4.42Å; F114-L131 PolarHBondContact N-O 2.92Å; F114-L131 PolarHBondContact O-N 2.87Å; F114-E188 HydrophobicContact CD1-CB 4.16Å; F114-I192 HydrophobicContact CB-CD1 3.93Å; F114-I192 HydrophobicContact CB-CG1 4.22Å; F114-I192 HydrophobicContact CD1-CD1 4.23Å; F114-I192 HydrophobicContact CD1-CG1 3.68Å; F114-I192 HydrophobicContact CD2-CD1 4.4Å; F114-I192 HydrophobicContact CD2-CG1 3.89Å; F114-I192 HydrophobicContact CE1-CG1 3.95Å; F114-I192 HydrophobicContact CE2-CG1 4.15Å; F114-I192 HydrophobicContact CG-CD1 3.93Å; F114-I192 HydrophobicContact CG-CG1 3.64Å; F114-I192 HydrophobicContact CZ-CG1 4.18Å; F114-L195 HydrophobicContact CE2-CD2 3.62Å; F114-L195 HydrophobicContact CZ-CD2 3.59Å |
| 115 | G | 92.6 | Very high | 88.1 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S186 | G115-S186 PolarHBondContact O-OG 2.96Å |
| 116 | V | 94.8 | Very high | 88.1 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.4 | -175.9 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | F114 A129 L131 L140 L184 A185 I192 | F114-V116 HydrophobicContact CB-CG1 4.35Å; V116-A129 HydrophobicContact CG2-CB 4.05Å; V116-A129 WeakPolarHBondContact CG2-O 3.37Å; V116-A129 PolarHBondContact N-O 3.5Å; V116-A129 PolarHBondContact O-N 3.24Å; V116-L131 HydrophobicContact CG1-CB 3.82Å; V116-L131 HydrophobicContact CG2-CB 4Å; V116-L140 HydrophobicContact CG2-CD2 3.67Å; V116-L184 HydrophobicContact CB-CB 4.23Å; V116-L184 HydrophobicContact CB-CD1 4.33Å; V116-L184 HydrophobicContact CG1-CB 4.5Å; V116-L184 HydrophobicContact CG1-CD1 4.22Å; V116-L184 HydrophobicContact CG2-CD1 4.23Å; V116-L184 HydrophobicContact CG2-CD2 4.27Å; V116-A185 CarbonylContact C-O 3.53Å; V116-A185 WeakPolarHBondContact CA-O 3.36Å; V116-I192 HydrophobicContact CG1-CD1 4.43Å |
| 117 | G | 93.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L119 G127 L184 A185 | G117-L119 PolarHBondContact O-N 2.83Å; G117-G127 CarbonylContact C-O 3.59Å; G117-L184 CarbonylContact O-C 3.41Å; G117-L184 WeakPolarHBondContact O-CA 3.43Å; G117-A185 PolarHBondContact N-O 3Å; G117-A185 PolarHBondContact O-N 2.83Å |
| 118 | V | 93.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 119 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | L124 S126 G127 A129 L140 I149 L184 | V118-L124 HydrophobicContact CG1-CB 3.76Å; V118-L124 HydrophobicContact CG1-CD1 4.21Å; V118-S126 CarbonylContact O-C 3.54Å; V118-S126 VanDerWaalsContact O-CA 3.24Å; V118-S126 WeakPolarHBondContact O-CA 3.46Å; V118-S126 WeakPolarHBondContact O-CB 3.49Å; V118-G127 PolarHBondContact N-O 2.87Å; V118-G127 PolarHBondContact O-N 3.47Å; V118-A129 HydrophobicContact CG2-CB 3.89Å; V118-L140 HydrophobicContact CG2-CD1 4.32Å; V118-L140 HydrophobicContact CG2-CD2 4.34Å; V118-I149 HydrophobicContact CG2-CD1 4.21Å; V118-L184 HydrophobicContact CB-CD2 4.42Å; V118-L184 HydrophobicContact CG2-CD2 3.93Å |
| 119 | L | 89.9 | Confident | 89.1 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 148 | 179.2 | -66.1 | -176.6 | 0 | 0 | 0 | 111.8 | G117 L183 A185 | G117-L119 PolarHBondContact O-N 2.83Å; L119-L183 HydrophobicContact CB-CB 4.36Å; L119-L183 HydrophobicContact CD1-CB 3.98Å; L119-L183 PolarHBondContact N-O 2.76Å; L119-L183 VanDerWaalsContact N-O 3.16Å; L119-A185 HydrophobicContact CD2-CB 4.1Å; L119-A185 HydrophobicContact CG-CB 4.44Å |
| 120 | P | 84.8 | Confident | 89.5 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 66% | 0.662 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66.6 | 158.1 | 176.3 | 29.6 | -35.9 | 0 | 0 | 0 | 112 | ||
| 121 | G | 77.1 | Confident | 90 | Very high | 85 Ų | 85 | 51.2 Ų | 51.2 | 88% | 0.876 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 103.8 | 8.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 122 | T | 82.9 | Confident | 90.1 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -118.9 | -178.5 | 174.4 | 79.4 | 0 | 0 | 0 | 0 | 111 | L124 F182 | T122-L124 PolarHBondContact O-N 3.49Å; T122-L124 WeakPolarHBondContact OG1-CB 3.29Å; T122-L124 PolarHBondContact OG1-N 2.72Å; T122-L124 VanDerWaalsContact OG1-N 3.09Å; T122-F182 HydrophobicContact CG2-CD1 3.98Å |
| 123 | K | 82.4 | Confident | 90.2 | Very high | 109 Ų | 109 | 48.5 Ų | 48.5 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -75.2 | -9 | 171.2 | -60.4 | -179 | -170.6 | 171.5 | 0 | 113.7 | Y177 | K123-Y177 HydrophobicContact CD-CE1 4.2Å; K123-Y177 HydrophobicContact CD-CE2 4.19Å; K123-Y177 WeakPolarHBondContact CD-O 3.41Å; K123-Y177 PolarHBondContact NZ-O 2.8Å |
| 124 | L | 86.8 | Confident | 90.2 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -86.7 | 147.3 | -180 | -58.3 | 171.8 | 0 | 0 | 0 | 110.3 | V118 T122 S126 L140 I149 W152 W178 F182 | V118-L124 HydrophobicContact CG1-CB 3.76Å; V118-L124 HydrophobicContact CG1-CD1 4.21Å; T122-L124 PolarHBondContact O-N 3.49Å; T122-L124 WeakPolarHBondContact OG1-CB 3.29Å; T122-L124 PolarHBondContact OG1-N 2.72Å; T122-L124 VanDerWaalsContact OG1-N 3.09Å; L124-S126 PolarHBondContact O-N 2.75Å; L124-L140 HydrophobicContact CD1-CD1 3.61Å; L124-I149 HydrophobicContact CB-CD1 4.44Å; L124-I149 HydrophobicContact CD2-CD1 4.45Å; L124-I149 VanDerWaalsContact CD2-O 3.25Å; L124-I149 WeakPolarHBondContact CD2-O 3.24Å; L124-W152 HydrophobicContact CD1-CH2 3.82Å; L124-W152 HydrophobicContact CD1-CZ2 4.17Å; L124-W152 HydrophobicContact CD2-CH2 3.97Å; L124-W152 HydrophobicContact CD2-CZ2 4.33Å; L124-W152 HydrophobicContact CG-CH2 4.47Å; L124-W178 HydrophobicContact CD2-CE3 4.07Å; L124-W178 HydrophobicContact CD2-CH2 4.47Å; L124-W178 HydrophobicContact CD2-CZ3 3.62Å; L124-F182 HydrophobicContact CD1-CD1 3.44Å; L124-F182 VanDerWaalsContact CD1-CD1 3.44Å; L124-F182 HydrophobicContact CD1-CE1 3.89Å; L124-F182 HydrophobicContact CD1-CG 4.27Å; L124-F182 HydrophobicContact CG-CD1 3.92Å; L124-F182 HydrophobicContact CG-CE1 3.89Å |
| 125 | E | 87.1 | Confident | 90 | Very high | 134 Ų | 134 | 43.4 Ų | 43.4 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 120.9 | 172.3 | -61.8 | -173.3 | 170.8 | 0 | 0 | 110.5 | R142 | E125-R142 VanDerWaalsContact C-NH1 3.35Å; E125-R142 PolarHBondContact O-NH1 3.46Å |
| 126 | S | 90.8 | Very high | 89.8 | Confident | 65 Ų | 65 | 45.2 Ų | 45.2 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 146.3 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | V118 L124 R142 | V118-S126 CarbonylContact O-C 3.54Å; V118-S126 VanDerWaalsContact O-CA 3.24Å; V118-S126 WeakPolarHBondContact O-CA 3.46Å; V118-S126 WeakPolarHBondContact O-CB 3.49Å; L124-S126 PolarHBondContact O-N 2.75Å; S126-R142 PolarHBondContact O-NH1 2.97Å |
| 127 | G | 91.7 | Very high | 89.7 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132 | -173.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G117 V118 | G117-G127 CarbonylContact C-O 3.59Å; V118-G127 PolarHBondContact N-O 2.87Å; V118-G127 PolarHBondContact O-N 3.47Å |
| 128 | P | 92.8 | Very high | 89.7 | Confident | 104 Ų | 104 | 44.6 Ų | 44.6 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 136.3 | -177.7 | 28.4 | -34.8 | 0 | 0 | 0 | 112.1 | R142 | P128-R142 PolarHBondContact O-NE 3.03Å |
| 129 | A | 93.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V116 V118 L140 V141 R142 | V116-A129 HydrophobicContact CG2-CB 4.05Å; V116-A129 WeakPolarHBondContact CG2-O 3.37Å; V116-A129 PolarHBondContact N-O 3.5Å; V116-A129 PolarHBondContact O-N 3.24Å; V118-A129 HydrophobicContact CG2-CB 3.89Å; A129-L140 HydrophobicContact CB-CD2 4.2Å; A129-V141 CarbonylContact C-O 3.57Å; A129-V141 WeakPolarHBondContact CA-O 3.21Å; A129-V141 WeakPolarHBondContact CB-O 3.43Å; A129-R142 HydrophobicContact CB-CG 3.58Å |
| 130 | T | 93.8 | Very high | 89.9 | Confident | 26 Ų | 26 | 41 Ų | 41 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.4 | 165.6 | -52 | 0 | 0 | 0 | 0 | 108.6 | E66 R113 F114 H132 V141 | E66-T130 PolarHBondContact OE1-OG1 3.44Å; R113-T130 HydrophobicContact CB-CG2 3.97Å; F114-T130 WeakPolarHBondContact O-CA 3.37Å; T130-H132 VanDerWaalsContact CG2-NE2 3.28Å; T130-H132 WeakPolarHBondContact CG2-NE2 3.28Å; T130-V141 PolarHBondContact N-O 3.09Å; T130-V141 PolarHBondContact O-N 2.88Å |
| 131 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.6 | 168.3 | -175.6 | 71.3 | 0 | 0 | 0 | 108.1 | R113 F114 V116 L138 L140 L184 I192 | R113-L131 CarbonylContact C-O 3.57Å; R113-L131 VanDerWaalsContact CA-O 3.31Å; R113-L131 WeakPolarHBondContact CA-O 3.2Å; F114-L131 HydrophobicContact CB-CB 4.42Å; F114-L131 PolarHBondContact N-O 2.92Å; F114-L131 PolarHBondContact O-N 2.87Å; V116-L131 HydrophobicContact CG1-CB 3.82Å; V116-L131 HydrophobicContact CG2-CB 4Å; L131-L138 HydrophobicContact CD1-CD1 3.76Å; L131-L138 HydrophobicContact CD1-CD2 4.28Å; L131-L138 HydrophobicContact CD1-CG 3.95Å; L131-L138 HydrophobicContact CD2-CD1 4.31Å; L131-L138 HydrophobicContact CG-CD1 4.02Å; L131-L140 HydrophobicContact CB-CD2 4.05Å; L131-L140 HydrophobicContact CD1-CD2 3.62Å; L131-L140 HydrophobicContact CD1-CG 3.71Å; L131-L140 HydrophobicContact CG-CD2 4.48Å; L131-L184 HydrophobicContact CD1-CD1 4.04Å; L131-L184 HydrophobicContact CD2-CD1 3.95Å; L131-L184 HydrophobicContact CG-CD1 4.45Å; L131-I192 HydrophobicContact CD2-CD1 4.23Å; L131-I192 HydrophobicContact CD2-CG2 4Å |
| 132 | H | 94.2 | Very high | 91 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.5 | 173.8 | -69.8 | -92.8 | 0 | 0 | 0 | 110.4 | C63 E66 L81 H112 T130 A139 | C63-H132 WeakPolarHBondContact O-CB 3.47Å; E66-H132 IonicContact OE1-NE2 3.56Å; E66-H132 IonicContact OE2-CD2 2.71Å; E66-H132 IonicContact OE2-CE1 3.59Å; E66-H132 PolarHBondContact OE2-CE1 2.88Å; E66-H132 IonicContact OE2-NE2 2.67Å; E66-H132 PolarHBondContact OE2-NE2 2.81Å; L81-H132 VanDerWaalsContact CD1-CE1 3.49Å; L81-H132 WeakPolarHBondContact CD1-CE1 3.28Å; L81-H132 VanDerWaalsContact CD1-NE2 3.34Å; L81-H132 WeakPolarHBondContact CD1-NE2 3.48Å; H112-H132 WeakPolarHBondContact O-CA 3.36Å; T130-H132 VanDerWaalsContact CG2-NE2 3.28Å; T130-H132 WeakPolarHBondContact CG2-NE2 3.28Å; H132-A139 PolarHBondContact N-O 2.99Å; H132-A139 PolarHBondContact O-N 3.04Å |
| 133 | L | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.2 | 174.1 | 177.4 | 50.9 | 0 | 0 | 0 | 108.8 | V111 H112 L138 L154 L195 F196 I199 | V111-L133 WeakPolarHBondContact CA-O 3.29Å; H112-L133 PolarHBondContact N-O 3.2Å; H112-L133 PolarHBondContact O-N 3.48Å; L133-L138 HydrophobicContact CB-CD1 4.06Å; L133-L138 HydrophobicContact CD1-CD1 4.1Å; L133-L138 HydrophobicContact CG-CD1 4.47Å; L133-L154 HydrophobicContact CD1-CD1 3.53Å; L133-L154 HydrophobicContact CD1-CD2 3.97Å; L133-L154 HydrophobicContact CD1-CG 4.43Å; L133-L154 HydrophobicContact CD2-CD2 4.36Å; L133-L195 HydrophobicContact CD2-CD2 3.87Å; L133-L195 HydrophobicContact CD2-CG 3.95Å; L133-F196 HydrophobicContact CD2-CD2 3.67Å; L133-F196 HydrophobicContact CD2-CE2 3.67Å; L133-I199 HydrophobicContact CD2-CD1 3.76Å; L133-I199 HydrophobicContact CG-CD1 4.04Å |
| 134 | C | 91.1 | Very high | 91 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.054 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 106.1 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | I62 C63 E110 V111 N136 L137 | I62-C134 WeakPolarHBondContact O-CB 3.39Å; I62-C134 PolarHBondContact O-SG 2.76Å; C63-C134 VanDerWaalsContact C-CB 3.48Å; C63-C134 WeakPolarHBondContact O-CB 3.37Å; E110-C134 WeakPolarHBondContact O-CA 3.3Å; V111-C134 HydrophobicContact CG1-CB 4.47Å; V111-C134 HydrophobicContact CG2-CB 4.38Å; C134-N136 PolarHBondContact O-N 2.92Å; C134-L137 PolarHBondContact N-O 3.48Å; C134-L137 PolarHBondContact O-N 2.8Å |
| 135 | N | 88.8 | Confident | 90.6 | Very high | 29 Ų | 29 | 38 Ų | 38 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -109.7 | -172 | -61.2 | -20 | 0 | 0 | 0 | 110.8 | D34 L108 E110 I199 | D34-N135 PolarHBondContact OD1-ND2 3.22Å; L108-N135 PolarHBondContact O-ND2 3.24Å; L108-N135 VanDerWaalsContact O-ND2 3.17Å; E110-N135 PolarHBondContact N-OD1 2.91Å; E110-N135 PolarHBondContact O-N 3.39Å; E110-N135 PolarHBondContact O-OD1 3.43Å; N135-I199 WeakPolarHBondContact O-CG2 3.39Å |
| 136 | N | 89.7 | Confident | 90.6 | Very high | 88 Ų | 88 | 32 Ų | 32 | 47% | 0.471 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5.3 | 180 | -66.9 | -56.1 | 0 | 0 | 0 | 114.9 | C134 N153 L154 | C134-N136 PolarHBondContact O-N 2.92Å; N136-N153 WeakPolarHBondContact O-CA 3.37Å; N136-L154 PolarHBondContact O-N 2.93Å |
| 137 | L | 91.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.6 | -173 | -177.9 | 60.3 | 0 | 0 | 0 | 111.3 | C63 L83 C134 | C63-L137 HydrophobicContact CB-CD2 4.42Å; L83-L137 HydrophobicContact CD1-CD1 4.4Å; L83-L137 HydrophobicContact CD1-CD2 4.2Å; L83-L137 HydrophobicContact CD2-CD2 4.44Å; L83-L137 HydrophobicContact CG-CD2 4.11Å; C134-L137 PolarHBondContact N-O 3.48Å; C134-L137 PolarHBondContact O-N 2.8Å |
| 138 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.7 | 174.1 | -169.1 | 73.9 | 0 | 0 | 0 | 109.5 | L131 L133 H151 W152 L154 L157 F169 F196 | L131-L138 HydrophobicContact CD1-CD1 3.76Å; L131-L138 HydrophobicContact CD1-CD2 4.28Å; L131-L138 HydrophobicContact CD1-CG 3.95Å; L131-L138 HydrophobicContact CD2-CD1 4.31Å; L131-L138 HydrophobicContact CG-CD1 4.02Å; L133-L138 HydrophobicContact CB-CD1 4.06Å; L133-L138 HydrophobicContact CD1-CD1 4.1Å; L133-L138 HydrophobicContact CG-CD1 4.47Å; L138-H151 CarbonylContact O-C 3.55Å; L138-H151 VanDerWaalsContact O-CA 3.27Å; L138-H151 WeakPolarHBondContact O-CA 3.4Å; L138-W152 HydrophobicContact CB-CB 4.39Å; L138-W152 WeakPolarHBondContact CB-O 3.39Å; L138-W152 HydrophobicContact CD2-CE3 4.18Å; L138-W152 HydrophobicContact CG-CE3 4.45Å; L138-W152 PolarHBondContact N-O 2.9Å; L138-W152 PolarHBondContact O-N 2.89Å; L138-L154 HydrophobicContact CB-CD1 3.81Å; L138-L154 HydrophobicContact CD1-CD1 4.42Å; L138-L157 HydrophobicContact CD2-CD1 4.46Å; L138-F169 HydrophobicContact CD2-CE1 4.49Å; L138-F169 HydrophobicContact CD2-CE2 4.16Å; L138-F169 HydrophobicContact CD2-CZ 4.15Å; L138-F196 HydrophobicContact CD1-CE2 3.86Å; L138-F196 HydrophobicContact CD1-CZ 3.52Å; L138-F196 HydrophobicContact CD2-CE1 4.16Å; L138-F196 HydrophobicContact CD2-CZ 3.7Å; L138-F196 HydrophobicContact CG-CZ 4.25Å |
| 139 | A | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | C63 H132 V141 I148 G150 | C63-A139 HydrophobicContact CB-CB 3.76Å; H132-A139 PolarHBondContact N-O 2.99Å; H132-A139 PolarHBondContact O-N 3.04Å; A139-V141 HydrophobicContact CB-CG2 4.36Å; A139-I148 HydrophobicContact CB-CG2 4.35Å; A139-G150 WeakPolarHBondContact CA-O 3.5Å |
| 140 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.4 | 166 | -83.7 | 165.9 | 0 | 0 | 0 | 109.2 | V116 V118 L124 A129 L131 I148 I149 G150 W152 F169 L184 | V116-L140 HydrophobicContact CG2-CD2 3.67Å; V118-L140 HydrophobicContact CG2-CD1 4.32Å; V118-L140 HydrophobicContact CG2-CD2 4.34Å; L124-L140 HydrophobicContact CD1-CD1 3.61Å; A129-L140 HydrophobicContact CB-CD2 4.2Å; L131-L140 HydrophobicContact CB-CD2 4.05Å; L131-L140 HydrophobicContact CD1-CD2 3.62Å; L131-L140 HydrophobicContact CD1-CG 3.71Å; L131-L140 HydrophobicContact CG-CD2 4.48Å; L140-I148 CarbonylContact O-C 3.54Å; L140-I148 WeakPolarHBondContact O-CA 3.3Å; L140-I149 HydrophobicContact CB-CD1 4.07Å; L140-I149 HydrophobicContact CB-CG1 3.76Å; L140-I149 VanDerWaalsContact O-CG1 3.3Å; L140-I149 WeakPolarHBondContact O-CG1 3.36Å; L140-I149 PolarHBondContact O-N 2.73Å; L140-G150 PolarHBondContact N-O 3.45Å; L140-W152 HydrophobicContact CB-CZ3 4.18Å; L140-W152 HydrophobicContact CD1-CH2 3.83Å; L140-W152 HydrophobicContact CD1-CZ3 3.9Å; L140-W152 HydrophobicContact CG-CH2 4.48Å; L140-W152 HydrophobicContact CG-CZ3 4.11Å; L140-F169 HydrophobicContact CD1-CZ 4.48Å; L140-L184 HydrophobicContact CD1-CD2 3.97Å; L140-L184 HydrophobicContact CD2-CD1 4.26Å; L140-L184 HydrophobicContact CD2-CD2 4.2Å |
| 141 | V | 93.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.1 | -169.4 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | L81 A129 T130 A139 P146 V147 I148 | L81-V141 HydrophobicContact CD1-CG1 4.45Å; L81-V141 HydrophobicContact CD1-CG2 4.24Å; L81-V141 HydrophobicContact CD2-CG1 4.27Å; A129-V141 CarbonylContact C-O 3.57Å; A129-V141 WeakPolarHBondContact CA-O 3.21Å; A129-V141 WeakPolarHBondContact CB-O 3.43Å; T130-V141 PolarHBondContact N-O 3.09Å; T130-V141 PolarHBondContact O-N 2.88Å; A139-V141 HydrophobicContact CB-CG2 4.36Å; V141-P146 HydrophobicContact CG1-CB 3.37Å; V141-V147 CarbonylContact C-O 3.44Å; V141-V147 VanDerWaalsContact CA-O 3.3Å; V141-V147 WeakPolarHBondContact CA-O 2.92Å; V141-I148 HydrophobicContact CG2-CG1 4.08Å |
| 142 | R | 90.2 | Very high | 90.3 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 166.7 | -179.6 | -65.5 | -166.9 | 66.5 | -175.6 | -14.4 | 111.6 | E125 S126 P128 A129 P146 V147 I149 | E125-R142 VanDerWaalsContact C-NH1 3.35Å; E125-R142 PolarHBondContact O-NH1 3.46Å; S126-R142 PolarHBondContact O-NH1 2.97Å; P128-R142 PolarHBondContact O-NE 3.03Å; A129-R142 HydrophobicContact CB-CG 3.58Å; R142-P146 CarbonylContact O-C 3.55Å; R142-P146 WeakPolarHBondContact O-CA 3.06Å; R142-V147 PolarHBondContact N-O 3.15Å; R142-V147 PolarHBondContact O-N 2.82Å; R142-I149 HydrophobicContact CB-CG2 4Å; R142-I149 HydrophobicContact CG-CD1 3.84Å; R142-I149 HydrophobicContact CG-CG1 4.08Å; R142-I149 HydrophobicContact CG-CG2 4.01Å |
| 143 | D | 86.9 | Confident | 90.2 | Very high | 113 Ų | 113 | 34.7 Ų | 34.7 | 60% | 0.604 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -174.3 | 172.6 | -51.2 | -36.3 | 0 | 0 | 0 | 115.4 | P146 | D143-P146 WeakPolarHBondContact O-CA 3.33Š|
| 144 | F | 78.6 | Confident | 90.2 | Very high | 88 Ų | 88 | 35 Ų | 35 | 39% | 0.386 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | 116.9 | -176.5 | -167.6 | -119.2 | 0 | 0 | 0 | 111.8 | Y71 | Y71-F144 AromaticContact CD2-CD1 3.99Å; Y71-F144 HydrophobicContact CD2-CD1 3.99Å; Y71-F144 AromaticContact CD2-CE1 3.57Å; Y71-F144 HydrophobicContact CD2-CE1 3.57Å; Y71-F144 HydrophobicContact CD2-CZ 4.27Å; Y71-F144 AromaticContact CG-CE1 3.83Å; Y71-F144 HydrophobicContact CG-CE1 3.83Å; Y71-F144 HydrophobicContact CG-CZ 4.13Å |
| 145 | P | 79.6 | Confident | 90.2 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -57.5 | 146.7 | -0.4 | -24.5 | 35.6 | 0 | 0 | 0 | 113.5 | Y71 V147 | Y71-P145 HydrophobicContact CE1-CG 4.05Å; Y71-P145 HydrophobicContact CE2-CG 3.93Å; Y71-P145 VanDerWaalsContact CZ-CG 3.47Å; Y71-P145 WeakPolarHBondContact OH-CG 3.36Å; P145-V147 PolarHBondContact O-N 2.87Å |
| 146 | P | 86 | Confident | 90.4 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 132.9 | -171.1 | 24.6 | -34.6 | 0 | 0 | 0 | 112.5 | T79 L81 V86 V141 R142 D143 | T79-P146 HydrophobicContact CG2-CG 3.58Å; L81-P146 HydrophobicContact CD2-CB 3.77Å; L81-P146 HydrophobicContact CD2-CG 3.57Å; V86-P146 HydrophobicContact CG1-CG 4.48Å; V141-P146 HydrophobicContact CG1-CB 3.37Å; R142-P146 CarbonylContact O-C 3.55Å; R142-P146 WeakPolarHBondContact O-CA 3.06Å; D143-P146 WeakPolarHBondContact O-CA 3.33Å |
| 147 | V | 88 | Confident | 90.6 | Very high | 80 Ų | 80 | 34.9 Ų | 34.9 | 49% | 0.485 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.3 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | V141 R142 P145 I149 | V141-V147 CarbonylContact C-O 3.44Å; V141-V147 VanDerWaalsContact CA-O 3.3Å; V141-V147 WeakPolarHBondContact CA-O 2.92Å; R142-V147 PolarHBondContact N-O 3.15Å; R142-V147 PolarHBondContact O-N 2.82Å; P145-V147 PolarHBondContact O-N 2.87Å; V147-I149 PolarHBondContact O-N 2.85Å |
| 148 | I | 91.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 114.2 | 176.1 | -60.9 | 165.3 | 0 | 0 | 0 | 108.4 | C63 C82 L83 A139 L140 V141 H151 | C63-I148 HydrophobicContact CB-CD1 4.49Å; C82-I148 WeakPolarHBondContact O-CD1 3.14Å; L83-I148 HydrophobicContact CD2-CD1 4.35Å; A139-I148 HydrophobicContact CB-CG2 4.35Å; L140-I148 CarbonylContact O-C 3.54Å; L140-I148 WeakPolarHBondContact O-CA 3.3Å; V141-I148 HydrophobicContact CG2-CG1 4.08Å; I148-H151 HydrophobicContact CG2-CB 4.44Å |
| 149 | I | 92.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -9.3 | 179.5 | 60.5 | 150.7 | 0 | 0 | 0 | 113.5 | V118 L124 L140 R142 V147 W178 | V118-I149 HydrophobicContact CG2-CD1 4.21Å; L124-I149 HydrophobicContact CB-CD1 4.44Å; L124-I149 HydrophobicContact CD2-CD1 4.45Å; L124-I149 VanDerWaalsContact CD2-O 3.25Å; L124-I149 WeakPolarHBondContact CD2-O 3.24Å; L140-I149 HydrophobicContact CB-CD1 4.07Å; L140-I149 HydrophobicContact CB-CG1 3.76Å; L140-I149 VanDerWaalsContact O-CG1 3.3Å; L140-I149 WeakPolarHBondContact O-CG1 3.36Å; L140-I149 PolarHBondContact O-N 2.73Å; R142-I149 HydrophobicContact CB-CG2 4Å; R142-I149 HydrophobicContact CG-CD1 3.84Å; R142-I149 HydrophobicContact CG-CG1 4.08Å; R142-I149 HydrophobicContact CG-CG2 4.01Å; V147-I149 PolarHBondContact O-N 2.85Å; I149-W178 WeakPolarHBondContact O-CH2 3.37Å; I149-W178 WeakPolarHBondContact O-CZ3 3.33Å |
| 150 | G | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | 152 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A139 L140 W152 | A139-G150 WeakPolarHBondContact CA-O 3.5Å; L140-G150 PolarHBondContact N-O 3.45Å; G150-W152 WeakPolarHBondContact O-CZ3 3.2Å |
| 151 | H | 93.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.1 | -178.7 | 64.6 | 101.5 | 0 | 0 | 0 | 112.3 | L83 L138 I148 W178 | L83-H151 HydrophobicContact CD2-CB 3.63Å; L138-H151 CarbonylContact O-C 3.55Å; L138-H151 VanDerWaalsContact O-CA 3.27Å; L138-H151 WeakPolarHBondContact O-CA 3.4Å; I148-H151 HydrophobicContact CG2-CB 4.44Å; H151-W178 AromaticContact CD2-CD1 3.88Å; H151-W178 AromaticContact CD2-CE2 3.98Å; H151-W178 AromaticContact CD2-NE1 3.17Å; H151-W178 PolarHBondContact CD2-NE1 3.45Å; H151-W178 AromaticContact CE1-NE1 3.89Å; H151-W178 AromaticContact NE2-CD1 3.71Å; H151-W178 AromaticContact NE2-NE1 3.04Å; H151-W178 PolarHBondContact NE2-NE1 3.12Å |
| 152 | W | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 145.7 | -177.6 | -56 | -100.6 | 0 | 0 | 0 | 110.1 | L124 L138 L140 G150 L157 F169 W178 F182 | L124-W152 HydrophobicContact CD1-CH2 3.82Å; L124-W152 HydrophobicContact CD1-CZ2 4.17Å; L124-W152 HydrophobicContact CD2-CH2 3.97Å; L124-W152 HydrophobicContact CD2-CZ2 4.33Å; L124-W152 HydrophobicContact CG-CH2 4.47Å; L138-W152 HydrophobicContact CB-CB 4.39Å; L138-W152 WeakPolarHBondContact CB-O 3.39Å; L138-W152 HydrophobicContact CD2-CE3 4.18Å; L138-W152 HydrophobicContact CG-CE3 4.45Å; L138-W152 PolarHBondContact N-O 2.9Å; L138-W152 PolarHBondContact O-N 2.89Å; L140-W152 HydrophobicContact CB-CZ3 4.18Å; L140-W152 HydrophobicContact CD1-CH2 3.83Å; L140-W152 HydrophobicContact CD1-CZ3 3.9Å; L140-W152 HydrophobicContact CG-CH2 4.48Å; L140-W152 HydrophobicContact CG-CZ3 4.11Å; G150-W152 WeakPolarHBondContact O-CZ3 3.2Å; W152-L157 HydrophobicContact CB-CD2 3.89Å; W152-L157 HydrophobicContact CG-CD2 4.08Å; W152-F169 AromaticContact CD2-CE2 3.72Å; W152-F169 HydrophobicContact CD2-CE2 3.72Å; W152-F169 HydrophobicContact CD2-CZ 4.2Å; W152-F169 AromaticContact CE2-CE2 3.67Å; W152-F169 HydrophobicContact CE3-CE2 4.12Å; W152-F169 HydrophobicContact CE3-CZ 4.17Å; W152-F169 HydrophobicContact CG-CE2 4.1Å; W152-F169 HydrophobicContact CH2-CZ 4.21Å; W152-F169 HydrophobicContact CZ2-CE2 4.12Å; W152-F169 HydrophobicContact CZ2-CZ 4.17Å; W152-F169 HydrophobicContact CZ3-CZ 4.18Å; W152-F169 AromaticContact NE1-CE2 3.88Å; W152-W178 HydrophobicContact CZ2-CB 4.28Å; W152-W178 HydrophobicContact CZ2-CE3 4.43Å; W152-W178 PolarHBondContact NE1-O 2.84Å; W152-F182 AromaticContact CE2-CE2 3.88Å; W152-F182 HydrophobicContact CZ2-CD1 4.26Å; W152-F182 HydrophobicContact CZ2-CD2 4.09Å; W152-F182 HydrophobicContact CZ2-CE1 4.03Å; W152-F182 AromaticContact CZ2-CE2 3.87Å; W152-F182 HydrophobicContact CZ2-CE2 3.87Å; W152-F182 HydrophobicContact CZ2-CG 4.29Å; W152-F182 AromaticContact CZ2-CZ 3.83Å; W152-F182 HydrophobicContact CZ2-CZ 3.83Å; W152-F182 AromaticContact NE1-CD2 3.96Å; W152-F182 AromaticContact NE1-CE2 3.39Å; W152-F182 AromaticContact NE1-CZ 3.94Å |
| 153 | N | 92.7 | Very high | 91.1 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135 | 162.1 | -51.3 | -55.3 | 0 | 0 | 0 | 108.6 | N136 P155 D156 L157 | N136-N153 WeakPolarHBondContact O-CA 3.37Å; N153-P155 VanDerWaalsContact C-N 3.35Å; N153-P155 HydrophobicContact CB-CG 4.07Å; N153-D156 HydrophobicContact CB-CB 4.29Å; N153-D156 WeakPolarHBondContact CB-OD2 3.31Å; N153-D156 PolarHBondContact ND2-OD2 3.18Å; N153-D156 WeakPolarHBondContact O-CA 3.22Å; N153-D156 WeakPolarHBondContact O-CB 3.49Å; N153-D156 PolarHBondContact O-N 3.31Å; N153-L157 PolarHBondContact O-N 3Å |
| 154 | L | 91.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -49.1 | -46 | 171 | -101.1 | 59.9 | 0 | 0 | 0 | 113.6 | L133 N136 L138 D156 L157 F196 I199 V200 | L133-L154 HydrophobicContact CD1-CD1 3.53Å; L133-L154 HydrophobicContact CD1-CD2 3.97Å; L133-L154 HydrophobicContact CD1-CG 4.43Å; L133-L154 HydrophobicContact CD2-CD2 4.36Å; N136-L154 PolarHBondContact O-N 2.93Å; L138-L154 HydrophobicContact CB-CD1 3.81Å; L138-L154 HydrophobicContact CD1-CD1 4.42Å; L154-D156 PolarHBondContact O-N 3.21Å; L154-D156 VanDerWaalsContact O-N 3.16Å; L154-L157 HydrophobicContact CD1-CD1 4.44Å; L154-L157 WeakPolarHBondContact O-CB 3.44Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L154-F196 HydrophobicContact CD1-CE1 4.26Å; L154-F196 HydrophobicContact CD1-CZ 4.43Å; L154-F196 HydrophobicContact CD2-CG 4.49Å; L154-F196 HydrophobicContact CG-CD1 4.33Å; L154-I199 HydrophobicContact CD2-CB 3.99Å; L154-I199 HydrophobicContact CD2-CG2 3.57Å; L154-V200 HydrophobicContact CB-CG1 4.39Å; L154-V200 HydrophobicContact CD2-CG1 4.29Å |
| 155 | P | 91.2 | Very high | 91.8 | Very high | 79 Ų | 79 | 60 Ų | 60 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -66.9 | -9.1 | 175.6 | 25.9 | -36.6 | 0 | 0 | 0 | 115 | N153 R174 | N153-P155 VanDerWaalsContact C-N 3.35Å; N153-P155 HydrophobicContact CB-CG 4.07Å; P155-R174 PolarHBondContact O-NH2 3.37Å |
| 156 | D | 93.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -94.5 | -8.9 | 173.8 | -66.4 | -34.8 | 0 | 0 | 0 | 113.4 | N153 L154 G172 R174 C175 | N153-D156 HydrophobicContact CB-CB 4.29Å; N153-D156 WeakPolarHBondContact CB-OD2 3.31Å; N153-D156 PolarHBondContact ND2-OD2 3.18Å; N153-D156 WeakPolarHBondContact O-CA 3.22Å; N153-D156 WeakPolarHBondContact O-CB 3.49Å; N153-D156 PolarHBondContact O-N 3.31Å; L154-D156 PolarHBondContact O-N 3.21Å; L154-D156 VanDerWaalsContact O-N 3.16Å; D156-G172 WeakPolarHBondContact O-CA 3.32Å; D156-G172 PolarHBondContact O-N 2.99Å; D156-R174 HydrophobicContact CB-CB 4.08Å; D156-R174 WeakPolarHBondContact OD1-CB 3.38Å; D156-R174 VanDerWaalsContact OD1-CD 3.32Å; D156-R174 WeakPolarHBondContact OD1-CD 3.43Å; D156-R174 IonicContact OD1-CZ 2.7Å; D156-R174 IonicContact OD1-NE 2.76Å; D156-R174 PolarHBondContact OD1-NE 2.81Å; D156-R174 IonicContact OD1-NH2 2.8Å; D156-C175 VanDerWaalsContact CB-SG 3.53Å |
| 157 | L | 93.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 142.6 | 171.2 | -54.8 | -175.1 | 0 | 0 | 0 | 110.4 | L138 W152 N153 L154 F169 E170 F196 | L138-L157 HydrophobicContact CD2-CD1 4.46Å; W152-L157 HydrophobicContact CB-CD2 3.89Å; W152-L157 HydrophobicContact CG-CD2 4.08Å; N153-L157 PolarHBondContact O-N 3Å; L154-L157 HydrophobicContact CD1-CD1 4.44Å; L154-L157 WeakPolarHBondContact O-CB 3.44Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L157-F169 HydrophobicContact CD1-CB 4.43Å; L157-F169 HydrophobicContact CD1-CD2 4.31Å; L157-F169 HydrophobicContact CD2-CD2 3.83Å; L157-F169 HydrophobicContact CD2-CE2 4.4Å; L157-E170 CarbonylContact C-O 3.5Å; L157-E170 WeakPolarHBondContact CA-O 3.38Å; L157-F196 HydrophobicContact CD1-CD1 4.19Å; L157-F196 HydrophobicContact CD1-CE1 3.62Å |
| 158 | R | 94.3 | Very high | 93.2 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -39.2 | 177.6 | -74.5 | 170.7 | 165.9 | -178.1 | -2.8 | 112.8 | E170 | R158-E170 HydrophobicContact CB-CB 4.34Å; R158-E170 HydrophobicContact CB-CG 4.24Å; R158-E170 VanDerWaalsContact CD-CD 3.47Å; R158-E170 WeakPolarHBondContact CD-OE1 3.43Å; R158-E170 IonicContact CZ-OE1 2.73Å; R158-E170 PolarHBondContact N-O 3.3Å; R158-E170 IonicContact NE-OE1 3.82Å; R158-E170 IonicContact NH1-OE1 3.05Å; R158-E170 PolarHBondContact NH1-OE1 2.8Å |
| 159 | R | 94.6 | Very high | 93.4 | Very high | 172 Ų | 172 | 53.6 Ų | 53.6 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151 | 146.6 | -173.8 | -70.3 | -177.6 | -78.1 | -162.6 | -2.9 | 108.5 | F169 E170 | R159-F169 CarbonylContact O-C 3.47Å; R159-F169 WeakPolarHBondContact O-CA 3.41Å; R159-E170 HydrophobicContact CB-CB 4.36Å; R159-E170 IonicContact CZ-OE2 3.9Å; R159-E170 IonicContact NE-OE2 3.32Å; R159-E170 PolarHBondContact NE-OE2 3.06Å; R159-E170 IonicContact NH2-OE1 3.35Å; R159-E170 IonicContact NH2-OE2 2.68Å; R159-E170 PolarHBondContact NH2-OE2 2.9Å; R159-E170 PolarHBondContact O-N 2.85Å |
| 160 | Y | 95.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 165.7 | 167.2 | 57.7 | -98 | 0 | 0 | 0 | 109.2 | F167 V168 F196 D197 V200 | Y160-F167 HydrophobicContact CD2-CE2 4.47Å; Y160-F167 HydrophobicContact CD2-CZ 4.43Å; Y160-F167 HydrophobicContact CG-CZ 4.4Å; Y160-V168 CarbonylContact C-O 3.56Å; Y160-V168 WeakPolarHBondContact CA-O 3.45Å; Y160-F196 AromaticContact CD1-CD1 3.87Å; Y160-F196 HydrophobicContact CD1-CD1 3.87Å; Y160-F196 HydrophobicContact CD2-CB 3.93Å; Y160-F196 HydrophobicContact CD2-CD1 4.12Å; Y160-F196 HydrophobicContact CD2-CG 4.41Å; Y160-F196 HydrophobicContact CE1-CB 4.34Å; Y160-F196 HydrophobicContact CE1-CD1 4.38Å; Y160-F196 HydrophobicContact CE2-CB 3.74Å; Y160-F196 HydrophobicContact CG-CB 4.35Å; Y160-F196 AromaticContact CG-CD1 3.75Å; Y160-F196 HydrophobicContact CG-CD1 3.75Å; Y160-F196 HydrophobicContact CG-CG 4.48Å; Y160-D197 PolarHBondContact OH-OD1 2.86Å; Y160-V200 HydrophobicContact CE1-CG1 4.38Å; Y160-V200 WeakPolarHBondContact OH-CG2 3.41Å |
| 161 | G | 94.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | 165 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F167 V168 | G161-F167 WeakPolarHBondContact O-CD2 3.13Å; G161-V168 PolarHBondContact N-O 2.8Å; G161-V168 PolarHBondContact O-N 3.29Å |
| 162 | P | 95.5 | Very high | 93.6 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 150 | 172.2 | 34 | -32.8 | 0 | 0 | 0 | 110 | E190 | P162-E190 HydrophobicContact CB-CG 4.02Å |
| 163 | V | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 161 | 167.3 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | N165 G166 V168 | V163-N165 PolarHBondContact O-N 2.88Å; V163-N165 VanDerWaalsContact O-N 3.07Å; V163-G166 PolarHBondContact N-O 3.33Å; V163-G166 CarbonylContact O-C 3.5Å; V163-G166 PolarHBondContact O-N 2.95Å; V163-V168 HydrophobicContact CG1-CB 4.34Å; V163-V168 HydrophobicContact CG1-CG1 3.77Å |
| 164 | P | 91.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 59.9 Ų | 59.9 | 83% | 0.825 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 119.5 | 178.1 | -27.8 | 36.5 | 0 | 0 | 0 | 111.6 | G166 | P164-G166 VanDerWaalsContact C-N 3.27Å; P164-G166 PolarHBondContact O-N 3.03Å |
| 165 | N | 88.9 | Confident | 93.3 | Very high | 141 Ų | 141 | 60.5 Ų | 60.5 | 75% | 0.754 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.9 | -173.2 | -54.7 | -37.1 | 0 | 0 | 0 | 115.3 | V163 A185 S186 | V163-N165 PolarHBondContact O-N 2.88Å; V163-N165 VanDerWaalsContact O-N 3.07Å; N165-A185 WeakPolarHBondContact O-CA 2.99Å; N165-S186 CarbonylContact C-O 3.19Å; N165-S186 PolarHBondContact O-N 2.91Å |
| 166 | G | 91.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 59 Ų | 59 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | -170.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | V163 P164 L184 S186 | V163-G166 PolarHBondContact N-O 3.33Å; V163-G166 CarbonylContact O-C 3.5Å; V163-G166 PolarHBondContact O-N 2.95Å; P164-G166 VanDerWaalsContact C-N 3.27Å; P164-G166 PolarHBondContact O-N 3.03Å; G166-L184 CarbonylContact C-O 3.49Å; G166-L184 WeakPolarHBondContact CA-O 3.45Å; G166-S186 WeakPolarHBondContact CA-O 3.44Å; G166-S186 PolarHBondContact N-O 2.9Å; G166-S186 VanDerWaalsContact N-O 3.16Å |
| 167 | F | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.3 | 177.5 | -179.2 | -105.4 | 0 | 0 | 0 | 109.1 | Y160 G161 F169 L184 I192 F196 | Y160-F167 HydrophobicContact CD2-CE2 4.47Å; Y160-F167 HydrophobicContact CD2-CZ 4.43Å; Y160-F167 HydrophobicContact CG-CZ 4.4Å; G161-F167 WeakPolarHBondContact O-CD2 3.13Å; F167-F169 HydrophobicContact CD1-CD1 4.04Å; F167-F169 HydrophobicContact CE1-CB 4.13Å; F167-F169 AromaticContact CE1-CD1 3.83Å; F167-F169 HydrophobicContact CE1-CD1 3.83Å; F167-F169 HydrophobicContact CE1-CG 4.36Å; F167-L184 HydrophobicContact CD1-CD1 4.5Å; F167-L184 PolarHBondContact N-O 2.91Å; F167-L184 PolarHBondContact O-N 3.17Å; F167-I192 HydrophobicContact CB-CD1 4.48Å; F167-I192 HydrophobicContact CD1-CG2 3.81Å; F167-I192 HydrophobicContact CD2-CB 4.08Å; F167-I192 HydrophobicContact CD2-CG2 3.86Å; F167-I192 HydrophobicContact CE1-CG2 3.71Å; F167-I192 HydrophobicContact CE2-CB 4.29Å; F167-I192 HydrophobicContact CE2-CG2 3.78Å; F167-I192 HydrophobicContact CG-CB 4.29Å; F167-I192 HydrophobicContact CG-CG2 3.87Å; F167-I192 HydrophobicContact CZ-CG2 3.68Å; F167-F196 HydrophobicContact CE1-CD1 4.48Å; F167-F196 AromaticContact CE1-CE1 3.82Å; F167-F196 HydrophobicContact CE1-CE1 3.82Å; F167-F196 HydrophobicContact CE1-CE2 4.21Å; F167-F196 AromaticContact CE1-CZ 3.66Å; F167-F196 HydrophobicContact CE1-CZ 3.66Å; F167-F196 AromaticContact CZ-CD1 3.83Å; F167-F196 HydrophobicContact CZ-CD1 3.83Å; F167-F196 HydrophobicContact CZ-CD2 4.25Å; F167-F196 AromaticContact CZ-CE1 3.63Å; F167-F196 HydrophobicContact CZ-CE1 3.63Å; F167-F196 HydrophobicContact CZ-CE2 4.07Å; F167-F196 HydrophobicContact CZ-CG 4.13Å; F167-F196 AromaticContact CZ-CZ 3.74Å; F167-F196 HydrophobicContact CZ-CZ 3.74Å |
| 168 | V | 94.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 66 Ų | 66 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.6 | 178.6 | 65 | 0 | 0 | 0 | 0 | 110.2 | Y160 G161 V163 V181 F182 L183 | Y160-V168 CarbonylContact C-O 3.56Å; Y160-V168 WeakPolarHBondContact CA-O 3.45Å; G161-V168 PolarHBondContact N-O 2.8Å; G161-V168 PolarHBondContact O-N 3.29Å; V163-V168 HydrophobicContact CG1-CB 4.34Å; V163-V168 HydrophobicContact CG1-CG1 3.77Å; V168-V181 HydrophobicContact CG2-CG1 3.65Å; V168-F182 WeakPolarHBondContact CA-O 3.39Å; V168-F182 WeakPolarHBondContact CG2-O 3.49Å; V168-L183 HydrophobicContact CB-CG 4.46Å; V168-L183 HydrophobicContact CG2-CD1 4.26Å; V168-L183 HydrophobicContact CG2-CG 3.98Å |
| 169 | F | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.3 | 171.5 | 66.3 | -84.8 | 0 | 0 | 0 | 112.4 | L138 L140 W152 L157 R159 F167 V181 F182 L184 | L138-F169 HydrophobicContact CD2-CE1 4.49Å; L138-F169 HydrophobicContact CD2-CE2 4.16Å; L138-F169 HydrophobicContact CD2-CZ 4.15Å; L140-F169 HydrophobicContact CD1-CZ 4.48Å; W152-F169 AromaticContact CD2-CE2 3.72Å; W152-F169 HydrophobicContact CD2-CE2 3.72Å; W152-F169 HydrophobicContact CD2-CZ 4.2Å; W152-F169 AromaticContact CE2-CE2 3.67Å; W152-F169 HydrophobicContact CE3-CE2 4.12Å; W152-F169 HydrophobicContact CE3-CZ 4.17Å; W152-F169 HydrophobicContact CG-CE2 4.1Å; W152-F169 HydrophobicContact CH2-CZ 4.21Å; W152-F169 HydrophobicContact CZ2-CE2 4.12Å; W152-F169 HydrophobicContact CZ2-CZ 4.17Å; W152-F169 HydrophobicContact CZ3-CZ 4.18Å; W152-F169 AromaticContact NE1-CE2 3.88Å; L157-F169 HydrophobicContact CD1-CB 4.43Å; L157-F169 HydrophobicContact CD1-CD2 4.31Å; L157-F169 HydrophobicContact CD2-CD2 3.83Å; L157-F169 HydrophobicContact CD2-CE2 4.4Å; R159-F169 CarbonylContact O-C 3.47Å; R159-F169 WeakPolarHBondContact O-CA 3.41Å; F167-F169 HydrophobicContact CD1-CD1 4.04Å; F167-F169 HydrophobicContact CE1-CB 4.13Å; F167-F169 AromaticContact CE1-CD1 3.83Å; F167-F169 HydrophobicContact CE1-CD1 3.83Å; F167-F169 HydrophobicContact CE1-CG 4.36Å; F169-V181 WeakPolarHBondContact O-CA 3.46Å; F169-F182 HydrophobicContact CD1-CB 4.25Å; F169-F182 HydrophobicContact CD2-CB 4.47Å; F169-F182 HydrophobicContact CD2-CD2 4.05Å; F169-F182 HydrophobicContact CE1-CB 3.78Å; F169-F182 HydrophobicContact CE2-CB 4.03Å; F169-F182 AromaticContact CE2-CD2 3.58Å; F169-F182 HydrophobicContact CE2-CD2 3.58Å; F169-F182 HydrophobicContact CE2-CE2 4.41Å; F169-F182 HydrophobicContact CE2-CG 4.07Å; F169-F182 HydrophobicContact CZ-CB 3.67Å; F169-F182 HydrophobicContact CZ-CD2 4.02Å; F169-F182 HydrophobicContact CZ-CG 4.02Å; F169-F182 PolarHBondContact N-O 3.04Å; F169-F182 PolarHBondContact O-N 2.92Å; F169-L184 HydrophobicContact CE1-CD1 3.93Å; F169-L184 HydrophobicContact CE1-CG 4.25Å |
| 170 | E | 95.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 109.9 | 176.6 | -176.7 | -172.3 | 168 | 0 | 0 | 110.1 | L157 R158 R159 G172 G180 V181 | L157-E170 CarbonylContact C-O 3.5Å; L157-E170 WeakPolarHBondContact CA-O 3.38Å; R158-E170 HydrophobicContact CB-CB 4.34Å; R158-E170 HydrophobicContact CB-CG 4.24Å; R158-E170 VanDerWaalsContact CD-CD 3.47Å; R158-E170 WeakPolarHBondContact CD-OE1 3.43Å; R158-E170 IonicContact CZ-OE1 2.73Å; R158-E170 PolarHBondContact N-O 3.3Å; R158-E170 IonicContact NE-OE1 3.82Å; R158-E170 IonicContact NH1-OE1 3.05Å; R158-E170 PolarHBondContact NH1-OE1 2.8Å; R159-E170 HydrophobicContact CB-CB 4.36Å; R159-E170 IonicContact CZ-OE2 3.9Å; R159-E170 IonicContact NE-OE2 3.32Å; R159-E170 PolarHBondContact NE-OE2 3.06Å; R159-E170 IonicContact NH2-OE1 3.35Å; R159-E170 IonicContact NH2-OE2 2.68Å; R159-E170 PolarHBondContact NH2-OE2 2.9Å; R159-E170 PolarHBondContact O-N 2.85Å; E170-G172 PolarHBondContact O-N 3.48Å; E170-G180 CarbonylContact C-O 3.08Å; E170-G180 VanDerWaalsContact CA-O 3.32Å; E170-G180 WeakPolarHBondContact CA-O 3.35Å; E170-V181 HydrophobicContact CB-CG2 4.22Å; E170-V181 HydrophobicContact CG-CG2 4.04Å |
| 171 | G | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 121.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A179 G180 | G171-A179 WeakPolarHBondContact O-CA 3.46Å; G171-G180 PolarHBondContact N-O 3.18Å; G171-G180 PolarHBondContact O-N 2.86Å |
| 172 | G | 92.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | trans | -70.3 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D156 E170 R174 C175 A179 | D156-G172 WeakPolarHBondContact O-CA 3.32Å; D156-G172 PolarHBondContact O-N 2.99Å; E170-G172 PolarHBondContact O-N 3.48Å; G172-R174 PolarHBondContact O-N 3.26Å; G172-R174 VanDerWaalsContact O-N 3.09Å; G172-C175 VanDerWaalsContact O-CB 3.28Å; G172-C175 WeakPolarHBondContact O-CB 3.28Å; G172-C175 PolarHBondContact O-N 3.14Å; G172-A179 VanDerWaalsContact O-CB 3.28Å; G172-A179 WeakPolarHBondContact O-CB 3.46Å | ||
| 173 | T | 93 | Very high | 92.5 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 66% | 0.656 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -59.5 | -21.5 | 177.2 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | C175 G176 | T173-C175 VanDerWaalsContact C-N 3.26Å; T173-C175 PolarHBondContact O-N 3.11Å; T173-G176 PolarHBondContact O-N 2.7Å |
| 174 | R | 91 | Very high | 92.5 | Very high | 172 Ų | 172 | 51.9 Ų | 51.9 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -64.8 | -27.4 | 171.7 | -66.5 | -168.4 | -65.7 | -92.3 | 1.8 | 113.1 | P155 D156 G172 G176 | P155-R174 PolarHBondContact O-NH2 3.37Å; D156-R174 HydrophobicContact CB-CB 4.08Å; D156-R174 WeakPolarHBondContact OD1-CB 3.38Å; D156-R174 VanDerWaalsContact OD1-CD 3.32Å; D156-R174 WeakPolarHBondContact OD1-CD 3.43Å; D156-R174 IonicContact OD1-CZ 2.7Å; D156-R174 IonicContact OD1-NE 2.76Å; D156-R174 PolarHBondContact OD1-NE 2.81Å; D156-R174 IonicContact OD1-NH2 2.8Å; G172-R174 PolarHBondContact O-N 3.26Å; G172-R174 VanDerWaalsContact O-N 3.09Å; R174-G176 PolarHBondContact O-N 3.16Å |
| 175 | C | 88.6 | Confident | 92.7 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -72.2 | -5.7 | 175.3 | -51.3 | 0 | 0 | 0 | 0 | 113.6 | D156 G172 T173 Y177 W178 | D156-C175 VanDerWaalsContact CB-SG 3.53Å; G172-C175 VanDerWaalsContact O-CB 3.28Å; G172-C175 WeakPolarHBondContact O-CB 3.28Å; G172-C175 PolarHBondContact O-N 3.14Å; T173-C175 VanDerWaalsContact C-N 3.26Å; T173-C175 PolarHBondContact O-N 3.11Å; C175-Y177 PolarHBondContact O-N 2.93Å; C175-W178 HydrophobicContact CB-CB 4.09Å; C175-W178 PolarHBondContact O-N 3.09Å |
| 176 | G | 90.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 49% | 0.485 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | 58.4 | -110.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T173 R174 W178 A179 | T173-G176 PolarHBondContact O-N 2.7Å; R174-G176 PolarHBondContact O-N 3.16Å; G176-W178 VanDerWaalsContact C-N 3.25Å; G176-W178 PolarHBondContact O-N 2.9Å; G176-A179 VanDerWaalsContact O-CB 3.29Å; G176-A179 WeakPolarHBondContact O-CB 3.32Å; G176-A179 PolarHBondContact O-N 3.42Å |
| 177 | Y | 88.2 | Confident | 92.9 | Very high | 142 Ų | 142 | 46.3 Ų | 46.3 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -60 | -36.7 | 175.2 | -176.5 | -98.3 | 0 | 0 | 0 | 112.1 | K123 C175 A179 | K123-Y177 HydrophobicContact CD-CE1 4.2Å; K123-Y177 HydrophobicContact CD-CE2 4.19Å; K123-Y177 WeakPolarHBondContact CD-O 3.41Å; K123-Y177 PolarHBondContact NZ-O 2.8Å; C175-Y177 PolarHBondContact O-N 2.93Å; Y177-A179 VanDerWaalsContact C-N 3.26Å; Y177-A179 PolarHBondContact O-N 2.82Å |
| 178 | W | 91.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 19% | 0.186 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -85.7 | 13.4 | 179.3 | -50.4 | 122.5 | 0 | 0 | 0 | 113.9 | L124 I149 H151 W152 C175 G176 F182 | L124-W178 HydrophobicContact CD2-CE3 4.07Å; L124-W178 HydrophobicContact CD2-CH2 4.47Å; L124-W178 HydrophobicContact CD2-CZ3 3.62Å; I149-W178 WeakPolarHBondContact O-CH2 3.37Å; I149-W178 WeakPolarHBondContact O-CZ3 3.33Å; H151-W178 AromaticContact CD2-CD1 3.88Å; H151-W178 AromaticContact CD2-CE2 3.98Å; H151-W178 AromaticContact CD2-NE1 3.17Å; H151-W178 PolarHBondContact CD2-NE1 3.45Å; H151-W178 AromaticContact CE1-NE1 3.89Å; H151-W178 AromaticContact NE2-CD1 3.71Å; H151-W178 AromaticContact NE2-NE1 3.04Å; H151-W178 PolarHBondContact NE2-NE1 3.12Å; W152-W178 HydrophobicContact CZ2-CB 4.28Å; W152-W178 HydrophobicContact CZ2-CE3 4.43Å; W152-W178 PolarHBondContact NE1-O 2.84Å; C175-W178 HydrophobicContact CB-CB 4.09Å; C175-W178 PolarHBondContact O-N 3.09Å; G176-W178 VanDerWaalsContact C-N 3.25Å; G176-W178 PolarHBondContact O-N 2.9Å; W178-F182 WeakPolarHBondContact O-CE2 3.47Å; W178-F182 WeakPolarHBondContact O-CZ 3.49Å |
| 179 | A | 92.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | trans | -71.9 | 135.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G171 G172 G176 Y177 | G171-A179 WeakPolarHBondContact O-CA 3.46Å; G172-A179 VanDerWaalsContact O-CB 3.28Å; G172-A179 WeakPolarHBondContact O-CB 3.46Å; G176-A179 VanDerWaalsContact O-CB 3.29Å; G176-A179 WeakPolarHBondContact O-CB 3.32Å; G176-A179 PolarHBondContact O-N 3.42Å; Y177-A179 VanDerWaalsContact C-N 3.26Å; Y177-A179 PolarHBondContact O-N 2.82Å | ||
| 180 | G | 92.1 | Very high | 92.5 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 32% | 0.32 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.6 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E170 G171 F182 | E170-G180 CarbonylContact C-O 3.08Å; E170-G180 VanDerWaalsContact CA-O 3.32Å; E170-G180 WeakPolarHBondContact CA-O 3.35Å; G171-G180 PolarHBondContact N-O 3.18Å; G171-G180 PolarHBondContact O-N 2.86Å; G180-F182 WeakPolarHBondContact O-CD2 3.39Å; G180-F182 VanDerWaalsContact O-CE2 3.3Å; G180-F182 WeakPolarHBondContact O-CE2 3Å |
| 181 | V | 93.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.4 | 173.3 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | V168 F169 E170 L183 | V168-V181 HydrophobicContact CG2-CG1 3.65Å; F169-V181 WeakPolarHBondContact O-CA 3.46Å; E170-V181 HydrophobicContact CB-CG2 4.22Å; E170-V181 HydrophobicContact CG-CG2 4.04Å; V181-L183 HydrophobicContact CG1-CD1 4.02Å |
| 182 | F | 94 | Very high | 92.3 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.3 | -179.8 | -55 | -84.6 | 0 | 0 | 0 | 109.9 | T122 L124 W152 V168 F169 W178 G180 | T122-F182 HydrophobicContact CG2-CD1 3.98Å; L124-F182 HydrophobicContact CD1-CD1 3.44Å; L124-F182 VanDerWaalsContact CD1-CD1 3.44Å; L124-F182 HydrophobicContact CD1-CE1 3.89Å; L124-F182 HydrophobicContact CD1-CG 4.27Å; L124-F182 HydrophobicContact CG-CD1 3.92Å; L124-F182 HydrophobicContact CG-CE1 3.89Å; W152-F182 AromaticContact CE2-CE2 3.88Å; W152-F182 HydrophobicContact CZ2-CD1 4.26Å; W152-F182 HydrophobicContact CZ2-CD2 4.09Å; W152-F182 HydrophobicContact CZ2-CE1 4.03Å; W152-F182 AromaticContact CZ2-CE2 3.87Å; W152-F182 HydrophobicContact CZ2-CE2 3.87Å; W152-F182 HydrophobicContact CZ2-CG 4.29Å; W152-F182 AromaticContact CZ2-CZ 3.83Å; W152-F182 HydrophobicContact CZ2-CZ 3.83Å; W152-F182 AromaticContact NE1-CD2 3.96Å; W152-F182 AromaticContact NE1-CE2 3.39Å; W152-F182 AromaticContact NE1-CZ 3.94Å; V168-F182 WeakPolarHBondContact CA-O 3.39Å; V168-F182 WeakPolarHBondContact CG2-O 3.49Å; F169-F182 HydrophobicContact CD1-CB 4.25Å; F169-F182 HydrophobicContact CD2-CB 4.47Å; F169-F182 HydrophobicContact CD2-CD2 4.05Å; F169-F182 HydrophobicContact CE1-CB 3.78Å; F169-F182 HydrophobicContact CE2-CB 4.03Å; F169-F182 AromaticContact CE2-CD2 3.58Å; F169-F182 HydrophobicContact CE2-CD2 3.58Å; F169-F182 HydrophobicContact CE2-CE2 4.41Å; F169-F182 HydrophobicContact CE2-CG 4.07Å; F169-F182 HydrophobicContact CZ-CB 3.67Å; F169-F182 HydrophobicContact CZ-CD2 4.02Å; F169-F182 HydrophobicContact CZ-CG 4.02Å; F169-F182 PolarHBondContact N-O 3.04Å; F169-F182 PolarHBondContact O-N 2.92Å; W178-F182 WeakPolarHBondContact O-CE2 3.47Å; W178-F182 WeakPolarHBondContact O-CZ 3.49Å; G180-F182 WeakPolarHBondContact O-CD2 3.39Å; G180-F182 VanDerWaalsContact O-CE2 3.3Å; G180-F182 WeakPolarHBondContact O-CE2 3Å |
| 183 | L | 93.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 60.5 Ų | 60.5 | 40% | 0.403 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130 | 178.8 | -68 | 79.9 | 0 | 0 | 0 | 109.2 | L119 V168 V181 | L119-L183 HydrophobicContact CB-CB 4.36Å; L119-L183 HydrophobicContact CD1-CB 3.98Å; L119-L183 PolarHBondContact N-O 2.76Å; L119-L183 VanDerWaalsContact N-O 3.16Å; V168-L183 HydrophobicContact CB-CG 4.46Å; V168-L183 HydrophobicContact CG2-CD1 4.26Å; V168-L183 HydrophobicContact CG2-CG 3.98Å; V181-L183 HydrophobicContact CG1-CD1 4.02Å |
| 184 | L | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.3 | 179.8 | -60.5 | -177.5 | 0 | 0 | 0 | 109.3 | V116 G117 V118 L131 L140 G166 F167 F169 | V116-L184 HydrophobicContact CB-CB 4.23Å; V116-L184 HydrophobicContact CB-CD1 4.33Å; V116-L184 HydrophobicContact CG1-CB 4.5Å; V116-L184 HydrophobicContact CG1-CD1 4.22Å; V116-L184 HydrophobicContact CG2-CD1 4.23Å; V116-L184 HydrophobicContact CG2-CD2 4.27Å; G117-L184 CarbonylContact O-C 3.41Å; G117-L184 WeakPolarHBondContact O-CA 3.43Å; V118-L184 HydrophobicContact CB-CD2 4.42Å; V118-L184 HydrophobicContact CG2-CD2 3.93Å; L131-L184 HydrophobicContact CD1-CD1 4.04Å; L131-L184 HydrophobicContact CD2-CD1 3.95Å; L131-L184 HydrophobicContact CG-CD1 4.45Å; L140-L184 HydrophobicContact CD1-CD2 3.97Å; L140-L184 HydrophobicContact CD2-CD1 4.26Å; L140-L184 HydrophobicContact CD2-CD2 4.2Å; G166-L184 CarbonylContact C-O 3.49Å; G166-L184 WeakPolarHBondContact CA-O 3.45Å; F167-L184 HydrophobicContact CD1-CD1 4.5Å; F167-L184 PolarHBondContact N-O 2.91Å; F167-L184 PolarHBondContact O-N 3.17Å; F169-L184 HydrophobicContact CE1-CD1 3.93Å; F169-L184 HydrophobicContact CE1-CG 4.25Å |
| 185 | A | 94.1 | Very high | 92.4 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | V116 G117 L119 N165 | V116-A185 CarbonylContact C-O 3.53Å; V116-A185 WeakPolarHBondContact CA-O 3.36Å; G117-A185 PolarHBondContact N-O 3Å; G117-A185 PolarHBondContact O-N 2.83Å; L119-A185 HydrophobicContact CD2-CB 4.1Å; L119-A185 HydrophobicContact CG-CB 4.44Å; N165-A185 WeakPolarHBondContact O-CA 2.99Å |
| 186 | S | 93.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | trans | -167.2 | 143.5 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | G115 N165 G166 E188 | G115-S186 PolarHBondContact O-OG 2.96Å; N165-S186 CarbonylContact C-O 3.19Å; N165-S186 PolarHBondContact O-N 2.91Å; G166-S186 WeakPolarHBondContact CA-O 3.44Å; G166-S186 PolarHBondContact N-O 2.9Å; G166-S186 VanDerWaalsContact N-O 3.16Å; S186-E188 PolarHBondContact O-N 2.82Å; S186-E188 PolarHBondContact OG-N 2.89Å | ||
| 187 | A | 91.7 | Very high | 92.6 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 84% | 0.835 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -17.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 188 | E | 92.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 11.2 | -171.9 | -60.3 | 175.2 | 142.5 | 0 | 0 | 112.7 | F114 S186 E190 Q191 I192 | F114-E188 HydrophobicContact CD1-CB 4.16Å; S186-E188 PolarHBondContact O-N 2.82Å; S186-E188 PolarHBondContact OG-N 2.89Å; E188-E190 VanDerWaalsContact C-N 3.28Å; E188-E190 PolarHBondContact O-N 2.88Å; E188-E190 VanDerWaalsContact O-N 3.15Å; E188-Q191 WeakPolarHBondContact O-CA 3.19Å; E188-Q191 WeakPolarHBondContact O-CB 3.49Å; E188-Q191 PolarHBondContact O-N 3.47Å; E188-I192 WeakPolarHBondContact O-CG1 3.45Å; E188-I192 PolarHBondContact O-N 2.88Å |
| 189 | G | 91.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.6 | -34.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S193 | G189-S193 PolarHBondContact O-N 2.67Å |
| 190 | E | 93.1 | Very high | 92.5 | Very high | 159 Ų | 159 | 47 Ų | 47 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 173.4 | -64.7 | -177.3 | 175 | 0 | 0 | 112.1 | P162 E188 S193 F194 | P162-E190 HydrophobicContact CB-CG 4.02Å; E188-E190 VanDerWaalsContact C-N 3.28Å; E188-E190 PolarHBondContact O-N 2.88Å; E188-E190 VanDerWaalsContact O-N 3.15Å; E190-S193 PolarHBondContact O-N 3.02Å; E190-F194 WeakPolarHBondContact O-CB 3.42Å; E190-F194 PolarHBondContact O-N 2.95Å |
| 191 | Q | 92.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.1 | -53.6 | -178.7 | 31.3 | 0 | 0 | 111 | E188 F194 L195 | E188-Q191 WeakPolarHBondContact O-CA 3.19Å; E188-Q191 WeakPolarHBondContact O-CB 3.49Å; E188-Q191 PolarHBondContact O-N 3.47Å; Q191-F194 PolarHBondContact O-N 2.76Å; Q191-L195 VanDerWaalsContact O-CB 3.31Å; Q191-L195 WeakPolarHBondContact O-CB 3.44Å; Q191-L195 PolarHBondContact O-N 3.36Å |
| 192 | I | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 174.9 | -60.9 | 169.1 | 0 | 0 | 0 | 109.8 | F114 V116 L131 F167 E188 L195 F196 | F114-I192 HydrophobicContact CB-CD1 3.93Å; F114-I192 HydrophobicContact CB-CG1 4.22Å; F114-I192 HydrophobicContact CD1-CD1 4.23Å; F114-I192 HydrophobicContact CD1-CG1 3.68Å; F114-I192 HydrophobicContact CD2-CD1 4.4Å; F114-I192 HydrophobicContact CD2-CG1 3.89Å; F114-I192 HydrophobicContact CE1-CG1 3.95Å; F114-I192 HydrophobicContact CE2-CG1 4.15Å; F114-I192 HydrophobicContact CG-CD1 3.93Å; F114-I192 HydrophobicContact CG-CG1 3.64Å; F114-I192 HydrophobicContact CZ-CG1 4.18Å; V116-I192 HydrophobicContact CG1-CD1 4.43Å; L131-I192 HydrophobicContact CD2-CD1 4.23Å; L131-I192 HydrophobicContact CD2-CG2 4Å; F167-I192 HydrophobicContact CB-CD1 4.48Å; F167-I192 HydrophobicContact CD1-CG2 3.81Å; F167-I192 HydrophobicContact CD2-CB 4.08Å; F167-I192 HydrophobicContact CD2-CG2 3.86Å; F167-I192 HydrophobicContact CE1-CG2 3.71Å; F167-I192 HydrophobicContact CE2-CB 4.29Å; F167-I192 HydrophobicContact CE2-CG2 3.78Å; F167-I192 HydrophobicContact CG-CB 4.29Å; F167-I192 HydrophobicContact CG-CG2 3.87Å; F167-I192 HydrophobicContact CZ-CG2 3.68Å; E188-I192 WeakPolarHBondContact O-CG1 3.45Å; E188-I192 PolarHBondContact O-N 2.88Å; I192-L195 PolarHBondContact O-N 2.87Å; I192-F196 HydrophobicContact CG2-CD2 3.94Å; I192-F196 HydrophobicContact CG2-CE2 3.56Å; I192-F196 HydrophobicContact CG2-CZ 4.27Å; I192-F196 WeakPolarHBondContact O-CD2 3.5Å; I192-F196 PolarHBondContact O-N 3.24Å |
| 193 | S | 93.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.7 | -163.7 | 0 | 0 | 0 | 0 | 112.8 | G189 E190 L195 F196 D197 | G189-S193 PolarHBondContact O-N 2.67Å; E190-S193 PolarHBondContact O-N 3.02Å; S193-L195 VanDerWaalsContact C-N 3.33Å; S193-L195 PolarHBondContact O-N 3.16Å; S193-F196 PolarHBondContact O-N 3.45Å; S193-D197 WeakPolarHBondContact O-CB 3.18Å; S193-D197 PolarHBondContact O-N 2.7Å |
| 194 | F | 92.7 | Very high | 90.3 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 57% | 0.566 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 175.8 | 173.2 | -101 | 0 | 0 | 0 | 111.8 | E190 Q191 D197 C198 P205 | E190-F194 WeakPolarHBondContact O-CB 3.42Å; E190-F194 PolarHBondContact O-N 2.95Å; Q191-F194 PolarHBondContact O-N 2.76Å; F194-D197 WeakPolarHBondContact O-CB 3.13Å; F194-D197 PolarHBondContact O-N 2.8Å; F194-C198 VanDerWaalsContact CZ-SG 3.6Å; F194-C198 PolarHBondContact O-N 2.81Å; F194-C198 PolarHBondContact O-SG 2.74Å; F194-C198 VanDerWaalsContact O-SG 3.37Å; F194-P205 HydrophobicContact CE1-CB 4.37Å |
| 195 | L | 92.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 176.9 | 174.8 | 61.7 | 0 | 0 | 0 | 112.2 | H112 F114 L133 Q191 I192 S193 D197 C198 I199 P205 | H112-L195 HydrophobicContact CB-CD2 3.57Å; H112-L195 VanDerWaalsContact CG-CD2 3.45Å; F114-L195 HydrophobicContact CE2-CD2 3.62Å; F114-L195 HydrophobicContact CZ-CD2 3.59Å; L133-L195 HydrophobicContact CD2-CD2 3.87Å; L133-L195 HydrophobicContact CD2-CG 3.95Å; Q191-L195 VanDerWaalsContact O-CB 3.31Å; Q191-L195 WeakPolarHBondContact O-CB 3.44Å; Q191-L195 PolarHBondContact O-N 3.36Å; I192-L195 PolarHBondContact O-N 2.87Å; S193-L195 VanDerWaalsContact C-N 3.33Å; S193-L195 PolarHBondContact O-N 3.16Å; L195-D197 VanDerWaalsContact C-N 3.33Å; L195-C198 PolarHBondContact O-N 2.95Å; L195-I199 HydrophobicContact CD1-CD1 3.64Å; L195-I199 HydrophobicContact CD1-CG1 4.23Å; L195-I199 HydrophobicContact CG-CD1 3.96Å; L195-I199 WeakPolarHBondContact O-CG1 3.36Å; L195-I199 PolarHBondContact O-N 3.2Å; L195-P205 HydrophobicContact CD1-CG 3.41Å; L195-P205 VanDerWaalsContact CD1-CG 3.41Å |
| 196 | F | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 172.1 | -83.6 | -136.3 | 0 | 0 | 0 | 110.2 | L133 L138 L154 L157 Y160 F167 I192 S193 C198 I199 V200 | L133-F196 HydrophobicContact CD2-CD2 3.67Å; L133-F196 HydrophobicContact CD2-CE2 3.67Å; L138-F196 HydrophobicContact CD1-CE2 3.86Å; L138-F196 HydrophobicContact CD1-CZ 3.52Å; L138-F196 HydrophobicContact CD2-CE1 4.16Å; L138-F196 HydrophobicContact CD2-CZ 3.7Å; L138-F196 HydrophobicContact CG-CZ 4.25Å; L154-F196 HydrophobicContact CD1-CE1 4.26Å; L154-F196 HydrophobicContact CD1-CZ 4.43Å; L154-F196 HydrophobicContact CD2-CG 4.49Å; L154-F196 HydrophobicContact CG-CD1 4.33Å; L157-F196 HydrophobicContact CD1-CD1 4.19Å; L157-F196 HydrophobicContact CD1-CE1 3.62Å; Y160-F196 AromaticContact CD1-CD1 3.87Å; Y160-F196 HydrophobicContact CD1-CD1 3.87Å; Y160-F196 HydrophobicContact CD2-CB 3.93Å; Y160-F196 HydrophobicContact CD2-CD1 4.12Å; Y160-F196 HydrophobicContact CD2-CG 4.41Å; Y160-F196 HydrophobicContact CE1-CB 4.34Å; Y160-F196 HydrophobicContact CE1-CD1 4.38Å; Y160-F196 HydrophobicContact CE2-CB 3.74Å; Y160-F196 HydrophobicContact CG-CB 4.35Å; Y160-F196 AromaticContact CG-CD1 3.75Å; Y160-F196 HydrophobicContact CG-CD1 3.75Å; Y160-F196 HydrophobicContact CG-CG 4.48Å; F167-F196 HydrophobicContact CE1-CD1 4.48Å; F167-F196 AromaticContact CE1-CE1 3.82Å; F167-F196 HydrophobicContact CE1-CE1 3.82Å; F167-F196 HydrophobicContact CE1-CE2 4.21Å; F167-F196 AromaticContact CE1-CZ 3.66Å; F167-F196 HydrophobicContact CE1-CZ 3.66Å; F167-F196 AromaticContact CZ-CD1 3.83Å; F167-F196 HydrophobicContact CZ-CD1 3.83Å; F167-F196 HydrophobicContact CZ-CD2 4.25Å; F167-F196 AromaticContact CZ-CE1 3.63Å; F167-F196 HydrophobicContact CZ-CE1 3.63Å; F167-F196 HydrophobicContact CZ-CE2 4.07Å; F167-F196 HydrophobicContact CZ-CG 4.13Å; F167-F196 AromaticContact CZ-CZ 3.74Å; F167-F196 HydrophobicContact CZ-CZ 3.74Å; I192-F196 HydrophobicContact CG2-CD2 3.94Å; I192-F196 HydrophobicContact CG2-CE2 3.56Å; I192-F196 HydrophobicContact CG2-CZ 4.27Å; I192-F196 WeakPolarHBondContact O-CD2 3.5Å; I192-F196 PolarHBondContact O-N 3.24Å; S193-F196 PolarHBondContact O-N 3.45Å; F196-C198 VanDerWaalsContact C-N 3.32Å; F196-C198 PolarHBondContact O-N 3.09Å; F196-I199 PolarHBondContact O-N 2.94Å; F196-V200 WeakPolarHBondContact O-CG1 3.35Å; F196-V200 WeakPolarHBondContact O-CG2 3.29Å; F196-V200 PolarHBondContact O-N 2.7Å |
| 197 | D | 91.4 | Very high | 86.4 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -38.8 | 179 | -88.3 | -46.1 | 0 | 0 | 0 | 112.9 | Y160 S193 F194 L195 R201 | Y160-D197 PolarHBondContact OH-OD1 2.86Å; S193-D197 WeakPolarHBondContact O-CB 3.18Å; S193-D197 PolarHBondContact O-N 2.7Å; F194-D197 WeakPolarHBondContact O-CB 3.13Å; F194-D197 PolarHBondContact O-N 2.8Å; L195-D197 VanDerWaalsContact C-N 3.33Å; D197-R201 VanDerWaalsContact C-NH1 3.33Å; D197-R201 VanDerWaalsContact CB-NH1 3.31Å; D197-R201 WeakPolarHBondContact O-CB 3.31Å; D197-R201 VanDerWaalsContact O-CD 3.3Å; D197-R201 WeakPolarHBondContact O-CD 3.41Å; D197-R201 VanDerWaalsContact O-CG 3.29Å; D197-R201 WeakPolarHBondContact O-CG 3.34Å; D197-R201 PolarHBondContact O-N 2.76Å; D197-R201 PolarHBondContact O-NH1 2.96Å; D197-R201 IonicContact OD1-CZ 3.19Å; D197-R201 IonicContact OD1-NH1 2.62Å; D197-R201 PolarHBondContact OD1-NH1 3.33Å; D197-R201 IonicContact OD1-NH2 2.76Å; D197-R201 PolarHBondContact OD1-NH2 2.92Å |
| 198 | C | 90.3 | Very high | 84.4 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 8% | 0.081 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -53.7 | 171.5 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | F194 L195 F196 V200 R201 G202 I203 P205 | F194-C198 VanDerWaalsContact CZ-SG 3.6Å; F194-C198 PolarHBondContact O-N 2.81Å; F194-C198 PolarHBondContact O-SG 2.74Å; F194-C198 VanDerWaalsContact O-SG 3.37Å; L195-C198 PolarHBondContact O-N 2.95Å; F196-C198 VanDerWaalsContact C-N 3.32Å; F196-C198 PolarHBondContact O-N 3.09Å; C198-V200 PolarHBondContact O-N 3.18Å; C198-R201 CarbonylContact O-C 3.09Å; C198-R201 WeakPolarHBondContact O-CA 3.44Å; C198-R201 PolarHBondContact O-N 3.01Å; C198-R201 VanDerWaalsContact O-N 3.08Å; C198-G202 PolarHBondContact O-N 3.35Å; C198-I203 CarbonylContact C-O 3.55Å; C198-I203 HydrophobicContact CB-CB 4.13Å; C198-I203 HydrophobicContact CB-CG2 4.39Å; C198-I203 WeakPolarHBondContact CB-O 3.49Å; C198-I203 WeakPolarHBondContact O-CB 3.4Å; C198-I203 PolarHBondContact O-N 3.46Å; C198-P205 HydrophobicContact CB-CG 4.18Å |
| 199 | I | 89.2 | Confident | 82 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | -172.7 | -70.3 | 166 | 0 | 0 | 0 | 112 | E110 L133 N135 L154 L195 F196 R201 G202 | E110-I199 HydrophobicContact CB-CD1 4.34Å; L133-I199 HydrophobicContact CD2-CD1 3.76Å; L133-I199 HydrophobicContact CG-CD1 4.04Å; N135-I199 WeakPolarHBondContact O-CG2 3.39Å; L154-I199 HydrophobicContact CD2-CB 3.99Å; L154-I199 HydrophobicContact CD2-CG2 3.57Å; L195-I199 HydrophobicContact CD1-CD1 3.64Å; L195-I199 HydrophobicContact CD1-CG1 4.23Å; L195-I199 HydrophobicContact CG-CD1 3.96Å; L195-I199 WeakPolarHBondContact O-CG1 3.36Å; L195-I199 PolarHBondContact O-N 3.2Å; F196-I199 PolarHBondContact O-N 2.94Å; I199-R201 PolarHBondContact O-N 2.93Å; I199-G202 PolarHBondContact O-N 3.38Å |
| 200 | V | 88.8 | Confident | 79.7 | Confident | 70 Ų | 70 | 69 Ų | 69 | 42% | 0.424 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.7 | -17.2 | 177.3 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | L154 Y160 F196 C198 | L154-V200 HydrophobicContact CB-CG1 4.39Å; L154-V200 HydrophobicContact CD2-CG1 4.29Å; Y160-V200 HydrophobicContact CE1-CG1 4.38Å; Y160-V200 WeakPolarHBondContact OH-CG2 3.41Å; F196-V200 WeakPolarHBondContact O-CG1 3.35Å; F196-V200 WeakPolarHBondContact O-CG2 3.29Å; F196-V200 PolarHBondContact O-N 2.7Å; C198-V200 PolarHBondContact O-N 3.18Å |
| 201 | R | 88.1 | Confident | 77.5 | Confident | 154 Ų | 154 | 64.8 Ų | 64.8 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.7 | 171.4 | -69 | 170.6 | -174 | 70.2 | -11.8 | 112.9 | D197 C198 I199 I203 | D197-R201 VanDerWaalsContact C-NH1 3.33Å; D197-R201 VanDerWaalsContact CB-NH1 3.31Å; D197-R201 WeakPolarHBondContact O-CB 3.31Å; D197-R201 VanDerWaalsContact O-CD 3.3Å; D197-R201 WeakPolarHBondContact O-CD 3.41Å; D197-R201 VanDerWaalsContact O-CG 3.29Å; D197-R201 WeakPolarHBondContact O-CG 3.34Å; D197-R201 PolarHBondContact O-N 2.76Å; D197-R201 PolarHBondContact O-NH1 2.96Å; D197-R201 IonicContact OD1-CZ 3.19Å; D197-R201 IonicContact OD1-NH1 2.62Å; D197-R201 PolarHBondContact OD1-NH1 3.33Å; D197-R201 IonicContact OD1-NH2 2.76Å; D197-R201 PolarHBondContact OD1-NH2 2.92Å; C198-R201 CarbonylContact O-C 3.09Å; C198-R201 WeakPolarHBondContact O-CA 3.44Å; C198-R201 PolarHBondContact O-N 3.01Å; C198-R201 VanDerWaalsContact O-N 3.08Å; I199-R201 PolarHBondContact O-N 2.93Å; R201-I203 VanDerWaalsContact C-N 3.28Å; R201-I203 HydrophobicContact CB-CD1 4.05Å; R201-I203 HydrophobicContact CB-CG1 4.12Å; R201-I203 PolarHBondContact O-N 2.94Å |
| 202 | G | 83.9 | Confident | 75.1 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 55% | 0.546 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 18.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C198 I199 | C198-G202 PolarHBondContact O-N 3.35Å; I199-G202 PolarHBondContact O-N 3.38Å |
| 203 | I | 82.1 | Confident | 72.8 | Confident | 89 Ų | 89 | 76.9 Ų | 76.9 | 46% | 0.456 | 42% | 0.422 | S | S | . | . | trans | -97.2 | 129.6 | 179.5 | -55.5 | 173.6 | 0 | 0 | 0 | 108.6 | C198 R201 P205 | C198-I203 CarbonylContact C-O 3.55Å; C198-I203 HydrophobicContact CB-CB 4.13Å; C198-I203 HydrophobicContact CB-CG2 4.39Å; C198-I203 WeakPolarHBondContact CB-O 3.49Å; C198-I203 WeakPolarHBondContact O-CB 3.4Å; C198-I203 PolarHBondContact O-N 3.46Å; R201-I203 VanDerWaalsContact C-N 3.28Å; R201-I203 HydrophobicContact CB-CD1 4.05Å; R201-I203 HydrophobicContact CB-CG1 4.12Å; R201-I203 PolarHBondContact O-N 2.94Å; I203-P205 WeakPolarHBondContact O-CD 3.34Å | ||
| 204 | C | 74.4 | Confident | 70.5 | Confident | 34 Ų | 34 | 79 Ų | 79 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 105.8 | 177.7 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | E110 S206 R207 | E110-C204 HydrophobicContact CG-CB 3.99Å; E110-C204 VanDerWaalsContact OE1-CB 3.29Å; E110-C204 WeakPolarHBondContact OE1-CB 3.3Å; C204-S206 VanDerWaalsContact C-N 3.3Å; C204-S206 PolarHBondContact O-N 2.99Å; C204-R207 HydrophobicContact CB-CB 3.8Å; C204-R207 WeakPolarHBondContact CB-O 3.29Å; C204-R207 CarbonylContact O-C 3.56Å; C204-R207 PolarHBondContact O-N 3.36Å |
| 205 | P | 71.4 | Confident | 68 | Low | 54 Ų | 54 | 78.9 Ų | 78.9 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.7 | -175.9 | 25.1 | -31.5 | 0 | 0 | 0 | 113.2 | E110 F194 L195 C198 I203 R207 | E110-P205 WeakPolarHBondContact OE2-CD 3.46Å; F194-P205 HydrophobicContact CE1-CB 4.37Å; L195-P205 HydrophobicContact CD1-CG 3.41Å; L195-P205 VanDerWaalsContact CD1-CG 3.41Å; C198-P205 HydrophobicContact CB-CG 4.18Å; I203-P205 WeakPolarHBondContact O-CD 3.34Å; P205-R207 VanDerWaalsContact C-N 3.29Å |
| 206 | S | 66.2 | Low | 65.7 | Low | 64 Ų | 64 | 82.4 Ų | 82.4 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.8 | 171.3 | 87.5 | 0 | 0 | 0 | 0 | 113.6 | E110 C204 | E110-S206 VanDerWaalsContact CD-OG 3.27Å; E110-S206 WeakPolarHBondContact OE1-CB 3.36Å; E110-S206 PolarHBondContact OE1-N 2.92Å; E110-S206 PolarHBondContact OE1-OG 3.45Å; E110-S206 PolarHBondContact OE2-N 3.4Å; E110-S206 PolarHBondContact OE2-OG 3.46Å; C204-S206 VanDerWaalsContact C-N 3.3Å; C204-S206 PolarHBondContact O-N 2.99Å |
| 207 | R | 63.4 | Low | 63.4 | Low | 74 Ų | 74 | 87 Ų | 87 | 28% | 0.279 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -137.7 | 90.1 | -174.9 | -72.1 | 175.5 | 161 | 165.6 | -0.7 | 111 | Y106 C204 P205 P214 | Y106-R207 VanDerWaalsContact CD2-NH2 3.28Å; Y106-R207 VanDerWaalsContact CE2-NH2 3.28Å; Y106-R207 VanDerWaalsContact CG-NH2 3.34Å; Y106-R207 VanDerWaalsContact CZ-NH2 3.35Å; Y106-R207 PolarHBondContact O-NH2 3.42Å; C204-R207 HydrophobicContact CB-CB 3.8Å; C204-R207 WeakPolarHBondContact CB-O 3.29Å; C204-R207 CarbonylContact O-C 3.56Å; C204-R207 PolarHBondContact O-N 3.36Å; P205-R207 VanDerWaalsContact C-N 3.29Å; R207-P214 HydrophobicContact CG-CG 4.27Å |
| 208 | G | 48.7 | Very low | 61.1 | Low | 46 Ų | 46 | 88.3 Ų | 88.3 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | trans | -48.4 | 154.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F210 | G208-F210 PolarHBondContact O-N 3.33Š| ||
| 209 | P | 43 | Very low | 58.7 | Low | 122 Ų | 122 | 94.9 Ų | 94.9 | 79% | 0.792 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -41.9 | 131 | -159.2 | -33.8 | 35.6 | 0 | 0 | 0 | 115.4 | G211 | P209-G211 PolarHBondContact O-N 3.25Š|
| 210 | F | 42.2 | Very low | 56.5 | Low | 193 Ų | 193 | 99.4 Ų | 99.4 | 85% | 0.846 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -36.1 | 95.8 | -168.3 | -64.4 | -87 | 0 | 0 | 0 | 114.5 | G208 | G208-F210 PolarHBondContact O-N 3.33Š|
| 211 | G | 48.3 | Very low | 54.4 | Low | 71 Ų | 71 | 103.9 Ų | 103.9 | 73% | 0.732 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.3 | -36.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P209 | P209-G211 PolarHBondContact O-N 3.25Š|
| 212 | L | 41.8 | Very low | 52.3 | Low | 148 Ų | 148 | 101.9 Ų | 101.9 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 118.6 | 178 | -58.7 | -179.6 | 0 | 0 | 0 | 110.7 | P214 | L212-P214 WeakPolarHBondContact O-CD 3.4Š|
| 213 | R | 45.3 | Very low | 50.4 | Low | 221 Ų | 221 | 100.8 Ų | 100.8 | 83% | 0.834 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123.9 | 169.2 | -69.3 | -179.1 | -178 | 168.7 | 1.4 | 109.3 | V215 | R213-V215 PolarHBondContact O-N 3.36Š|
| 214 | P | 44.2 | Very low | 48.5 | Very low | 54 Ų | 54 | 103.6 Ų | 103.6 | 35% | 0.351 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 132.3 | 158.6 | -19.8 | 32.5 | 0 | 0 | 0 | 109.2 | Y106 R207 L212 L216 | Y106-P214 HydrophobicContact CE2-CG 4.43Å; R207-P214 HydrophobicContact CG-CG 4.27Å; L212-P214 WeakPolarHBondContact O-CD 3.4Å; P214-L216 PolarHBondContact O-N 3.38Å |
| 215 | V | 40.9 | Very low | 47 | Very low | 128 Ų | 128 | 108 Ų | 108 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.9 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | R213 | R213-V215 PolarHBondContact O-N 3.36Š|
| 216 | L | 43.3 | Very low | 46.2 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 42% | 0.419 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -68 | 138.6 | 177.2 | -73.3 | 171.4 | 0 | 0 | 0 | 110.3 | Y106 P214 A218 | Y106-L216 HydrophobicContact CD1-CD1 4.43Å; Y106-L216 HydrophobicContact CD1-CD2 3.97Å; Y106-L216 HydrophobicContact CD2-CD2 3.85Å; Y106-L216 HydrophobicContact CE1-CD1 4.32Å; Y106-L216 HydrophobicContact CE1-CD2 4.31Å; Y106-L216 HydrophobicContact CE2-CD2 4.19Å; Y106-L216 HydrophobicContact CG-CD2 3.72Å; P214-L216 PolarHBondContact O-N 3.38Å; L216-A218 PolarHBondContact O-N 2.56Å |
| 217 | P | 45.1 | Very low | 45.9 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 48 | 178.7 | -23.5 | 35.9 | 0 | 0 | 0 | 116.2 | ||
| 218 | A | 42.6 | Very low | 46.1 | Very low | 74 Ų | 74 | 113 Ų | 113 | 61% | 0.612 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -18 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L216 | L216-A218 PolarHBondContact O-N 2.56Š|
| 219 | E | 41.1 | Very low | 47.1 | Very low | 149 Ų | 149 | 116.4 Ų | 116.4 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -97.8 | -0.6 | -168.7 | -63.6 | -73.8 | 133.2 | 0 | 0 | 114.3 | N221 | E219-N221 VanDerWaalsContact C-N 3.29Å; E219-N221 PolarHBondContact O-N 3.03Å |
| 220 | L | 42.6 | Very low | 48.7 | Very low | 113 Ų | 113 | 117 Ų | 117 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -12.8 | -166.7 | -93.4 | 166.7 | 0 | 0 | 0 | 116 | ||
| 221 | N | 44.5 | Very low | 50.6 | Low | 164 Ų | 164 | 112.9 Ų | 112.9 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 6 | -172.7 | -80.2 | 13.5 | 0 | 0 | 0 | 115.4 | E219 | E219-N221 VanDerWaalsContact C-N 3.29Å; E219-N221 PolarHBondContact O-N 3.03Å |
| 222 | S | 43.4 | Very low | 52.2 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 78% | 0.783 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -154.9 | 34.1 | -179.4 | 64 | 0 | 0 | 0 | 0 | 115.7 | ||
| 223 | G | 43.4 | Very low | 54.2 | Low | 30 Ų | 30 | 111.5 Ų | 111.5 | 31% | 0.309 | 60% | 0.602 | S | S | . | * | trans | -148.6 | -12.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | T225 N226 S227 | G223-T225 VanDerWaalsContact C-N 3.27Å; G223-T225 PolarHBondContact O-N 3.34Å; G223-T225 VanDerWaalsContact O-N 3.11Å; G223-N226 PolarHBondContact O-N 3.41Å; G223-S227 PolarHBondContact O-N 3.25Å | ||
| 224 | Q | 43.2 | Very low | 56.1 | Low | 147 Ų | 147 | 106.2 Ų | 106.2 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.9 | -28.3 | -168.3 | -73.9 | -166.8 | -67.2 | 0 | 0 | 115.2 | S227 | Q224-S227 PolarHBondContact O-OG 2.93Å |
| 225 | T | 43.4 | Very low | 58.2 | Low | 126 Ų | 126 | 107.5 Ų | 107.5 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.2 | -26.5 | 175.2 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | G223 | G223-T225 VanDerWaalsContact C-N 3.27Å; G223-T225 PolarHBondContact O-N 3.34Å; G223-T225 VanDerWaalsContact O-N 3.11Å |
| 226 | N | 53.2 | Low | 60.2 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 53% | 0.529 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -87.6 | -30.8 | -172.9 | -166.6 | -101.9 | 0 | 0 | 0 | 112.8 | G223 K230 | G223-N226 PolarHBondContact O-N 3.41Å; N226-K230 VanDerWaalsContact O-CB 3.28Å; N226-K230 WeakPolarHBondContact O-CB 3.28Å; N226-K230 PolarHBondContact O-N 3.07Å |
| 227 | S | 60.9 | Low | 62.3 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.6 | -38.7 | 177.8 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | G223 Q224 L231 | G223-S227 PolarHBondContact O-N 3.25Å; Q224-S227 PolarHBondContact O-OG 2.93Å; S227-L231 WeakPolarHBondContact O-CG 3.49Å; S227-L231 PolarHBondContact O-N 3.44Å; S227-L231 VanDerWaalsContact O-N 3.12Å |
| 228 | E | 67.5 | Low | 64.1 | Low | 132 Ų | 132 | 106.2 Ų | 106.2 | 62% | 0.617 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.9 | -45.1 | 178.5 | -169.9 | 179.4 | 158.2 | 0 | 0 | 111.3 | K230 L231 N232 | E228-K230 VanDerWaalsContact C-N 3.3Å; E228-K230 PolarHBondContact O-N 3.44Å; E228-L231 PolarHBondContact O-N 3.15Å; E228-N232 WeakPolarHBondContact O-CB 3.48Å; E228-N232 PolarHBondContact O-N 2.98Å; E228-N232 PolarHBondContact O-ND2 2.9Å |
| 229 | E | 69.9 | Low | 66.2 | Low | 117 Ų | 117 | 109 Ų | 109 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.2 | -43.1 | 174.1 | -173.1 | 175.5 | -150 | 0 | 0 | 111.7 | N232 L233 | E229-N232 PolarHBondContact O-N 3.28Å; E229-L233 HydrophobicContact CG-CD1 4.34Å; E229-L233 WeakPolarHBondContact O-CG 3.37Å; E229-L233 PolarHBondContact O-N 3.22Å |
| 230 | K | 77.1 | Confident | 68.3 | Low | 134 Ų | 134 | 108 Ų | 108 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -45.2 | 175.4 | -176.2 | -177.4 | 173.9 | -171.6 | 0 | 112.7 | N226 E228 N232 L233 E234 | N226-K230 VanDerWaalsContact O-CB 3.28Å; N226-K230 WeakPolarHBondContact O-CB 3.28Å; N226-K230 PolarHBondContact O-N 3.07Å; E228-K230 VanDerWaalsContact C-N 3.3Å; E228-K230 PolarHBondContact O-N 3.44Å; K230-N232 VanDerWaalsContact C-N 3.33Å; K230-L233 PolarHBondContact O-N 3.31Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-E234 PolarHBondContact O-N 2.97Å |
| 231 | L | 81.1 | Confident | 70.4 | Confident | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66 | -35.8 | 178.1 | -74.1 | 171 | 0 | 0 | 0 | 112 | S227 E228 E234 T235 | S227-L231 WeakPolarHBondContact O-CG 3.49Å; S227-L231 PolarHBondContact O-N 3.44Å; S227-L231 VanDerWaalsContact O-N 3.12Å; E228-L231 PolarHBondContact O-N 3.15Å; L231-E234 PolarHBondContact O-N 3.47Å; L231-T235 WeakPolarHBondContact O-CB 3.46Å; L231-T235 PolarHBondContact O-N 3.11Å; L231-T235 PolarHBondContact O-OG1 3.17Å |
| 232 | N | 81.2 | Confident | 72 | Confident | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.444 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 173.7 | -75 | -28.5 | 0 | 0 | 0 | 111.7 | E228 E229 K230 T235 Q236 | E228-N232 WeakPolarHBondContact O-CB 3.48Å; E228-N232 PolarHBondContact O-N 2.98Å; E228-N232 PolarHBondContact O-ND2 2.9Å; E229-N232 PolarHBondContact O-N 3.28Å; K230-N232 VanDerWaalsContact C-N 3.33Å; N232-T235 PolarHBondContact O-N 2.75Å; N232-Q236 WeakPolarHBondContact O-CB 3.33Å; N232-Q236 VanDerWaalsContact O-CG 3.29Å; N232-Q236 WeakPolarHBondContact O-CG 3.49Å; N232-Q236 PolarHBondContact O-N 3.48Å |
| 233 | L | 85.1 | Confident | 73.6 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 174.7 | -72.5 | 167.7 | 0 | 0 | 0 | 112.5 | E229 K230 Q236 E237 | E229-L233 HydrophobicContact CG-CD1 4.34Å; E229-L233 WeakPolarHBondContact O-CG 3.37Å; E229-L233 PolarHBondContact O-N 3.22Å; K230-L233 PolarHBondContact O-N 3.31Å; L233-Q236 PolarHBondContact O-N 2.86Å; L233-E237 PolarHBondContact O-N 3.08Å; L233-E237 VanDerWaalsContact O-N 3.07Å |
| 234 | E | 84.8 | Confident | 75 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 51% | 0.514 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 175.8 | -172.8 | 160.9 | -163.4 | 0 | 0 | 111.5 | K230 L231 E237 L238 | K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-E234 PolarHBondContact O-N 2.97Å; L231-E234 PolarHBondContact O-N 3.47Å; E234-E237 PolarHBondContact O-N 2.66Å; E234-L238 HydrophobicContact CG-CD1 4.49Å; E234-L238 VanDerWaalsContact O-CG 3.32Å; E234-L238 WeakPolarHBondContact O-CG 3.32Å; E234-L238 PolarHBondContact O-N 2.68Å |
| 235 | T | 87 | Confident | 76.2 | Confident | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 174.7 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | L231 N232 E237 L238 E239 | L231-T235 WeakPolarHBondContact O-CB 3.46Å; L231-T235 PolarHBondContact O-N 3.11Å; L231-T235 PolarHBondContact O-OG1 3.17Å; N232-T235 PolarHBondContact O-N 2.75Å; T235-E237 PolarHBondContact O-N 3.46Å; T235-L238 PolarHBondContact O-N 2.89Å; T235-E239 WeakPolarHBondContact O-CB 3.32Å; T235-E239 PolarHBondContact O-N 3.05Å |
| 236 | Q | 83.3 | Confident | 77.1 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.2 | -38.6 | 177.7 | -74.7 | 173.3 | 14.3 | 0 | 0 | 112.5 | N232 L233 K240 | N232-Q236 WeakPolarHBondContact O-CB 3.33Å; N232-Q236 VanDerWaalsContact O-CG 3.29Å; N232-Q236 WeakPolarHBondContact O-CG 3.49Å; N232-Q236 PolarHBondContact O-N 3.48Å; L233-Q236 PolarHBondContact O-N 2.86Å; Q236-K240 WeakPolarHBondContact O-CB 3.29Å; Q236-K240 PolarHBondContact O-N 2.85Å |
| 237 | E | 87.8 | Confident | 77.2 | Confident | 68 Ų | 68 | 112.8 Ų | 112.8 | 32% | 0.318 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.2 | -33.1 | 175.6 | 175.3 | 61.6 | -167.8 | 0 | 0 | 111.9 | L233 E234 T235 K240 R241 | L233-E237 PolarHBondContact O-N 3.08Å; L233-E237 VanDerWaalsContact O-N 3.07Å; E234-E237 PolarHBondContact O-N 2.66Å; T235-E237 PolarHBondContact O-N 3.46Å; E237-K240 IonicContact OE2-NZ 2.79Å; E237-K240 PolarHBondContact OE2-NZ 3.46Å; E237-R241 WeakPolarHBondContact O-CD 3.23Å; E237-R241 VanDerWaalsContact O-CG 3.23Å; E237-R241 WeakPolarHBondContact O-CG 3.5Å; E237-R241 PolarHBondContact O-N 3.37Å; E237-R241 IonicContact OE1-CZ 3.63Å; E237-R241 IonicContact OE1-NE 3.8Å; E237-R241 PolarHBondContact OE1-NE 2.9Å; E237-R241 IonicContact OE1-NH2 2.74Å; E237-R241 PolarHBondContact OE1-NH2 3.2Å |
| 238 | L | 83.6 | Confident | 76.8 | Confident | 91 Ų | 91 | 113 Ų | 113 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.7 | -46.5 | 171.1 | -72.3 | 169.5 | 0 | 0 | 0 | 112.2 | E234 T235 K240 R241 L242 | E234-L238 HydrophobicContact CG-CD1 4.49Å; E234-L238 VanDerWaalsContact O-CG 3.32Å; E234-L238 WeakPolarHBondContact O-CG 3.32Å; E234-L238 PolarHBondContact O-N 2.68Å; T235-L238 PolarHBondContact O-N 2.89Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.26Å; L238-R241 PolarHBondContact O-N 2.88Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 3.37Å |
| 239 | E | 87.1 | Confident | 76.2 | Confident | 133 Ų | 133 | 112 Ų | 112 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.5 | -43.4 | 175.3 | -176.7 | 175.8 | -154.7 | 0 | 0 | 111.2 | T235 R241 L242 S243 | T235-E239 WeakPolarHBondContact O-CB 3.32Å; T235-E239 PolarHBondContact O-N 3.05Å; E239-R241 PolarHBondContact O-N 3.42Å; E239-L242 PolarHBondContact O-N 3.12Å; E239-S243 WeakPolarHBondContact O-CB 3.16Å; E239-S243 PolarHBondContact O-N 2.97Å |
| 240 | K | 84.6 | Confident | 75.3 | Confident | 126 Ų | 126 | 111.2 Ų | 111.2 | 55% | 0.548 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.4 | -42.8 | 174.8 | -178 | 178.8 | 167.5 | -157.4 | 0 | 112.3 | Q236 E237 L238 S243 M244 | Q236-K240 WeakPolarHBondContact O-CB 3.29Å; Q236-K240 PolarHBondContact O-N 2.85Å; E237-K240 IonicContact OE2-NZ 2.79Å; E237-K240 PolarHBondContact OE2-NZ 3.46Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.26Å; K240-S243 PolarHBondContact O-N 3.34Å; K240-S243 PolarHBondContact O-OG 3.48Å; K240-M244 WeakPolarHBondContact O-CG 3.44Å; K240-M244 PolarHBondContact O-N 2.95Å; K240-M244 VanDerWaalsContact O-N 3.11Å |
| 241 | R | 86.6 | Confident | 73.5 | Confident | 140 Ų | 140 | 111.6 Ų | 111.6 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.1 | -42.9 | 174.3 | -73.2 | 167.3 | -170.2 | -176 | 6.5 | 112 | E237 L238 E239 S243 M244 L245 | E237-R241 WeakPolarHBondContact O-CD 3.23Å; E237-R241 VanDerWaalsContact O-CG 3.23Å; E237-R241 WeakPolarHBondContact O-CG 3.5Å; E237-R241 PolarHBondContact O-N 3.37Å; E237-R241 IonicContact OE1-CZ 3.63Å; E237-R241 IonicContact OE1-NE 3.8Å; E237-R241 PolarHBondContact OE1-NE 2.9Å; E237-R241 IonicContact OE1-NH2 2.74Å; E237-R241 PolarHBondContact OE1-NH2 3.2Å; L238-R241 PolarHBondContact O-N 2.88Å; E239-R241 PolarHBondContact O-N 3.42Å; R241-S243 VanDerWaalsContact C-N 3.33Å; R241-S243 PolarHBondContact O-N 2.91Å; R241-M244 PolarHBondContact O-N 3.37Å; R241-L245 WeakPolarHBondContact O-CG 3.46Å; R241-L245 PolarHBondContact O-N 2.97Å |
| 242 | L | 77.2 | Confident | 71.5 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -39.2 | 173.9 | -69.5 | 167.8 | 0 | 0 | 0 | 111.8 | L238 E239 M244 L245 S246 | L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 3.37Å; E239-L242 PolarHBondContact O-N 3.12Å; L242-M244 VanDerWaalsContact C-N 3.3Å; L242-M244 PolarHBondContact O-N 3.38Å; L242-L245 PolarHBondContact O-N 2.72Å; L242-S246 WeakPolarHBondContact O-CB 3.43Å; L242-S246 PolarHBondContact O-N 3.23Å |
| 243 | S | 77.1 | Confident | 69.6 | Low | 53 Ų | 53 | 112.2 Ų | 112.2 | 37% | 0.371 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.7 | -33.4 | 176.9 | 85.5 | 0 | 0 | 0 | 0 | 113 | E239 K240 R241 R247 | E239-S243 WeakPolarHBondContact O-CB 3.16Å; E239-S243 PolarHBondContact O-N 2.97Å; K240-S243 PolarHBondContact O-N 3.34Å; K240-S243 PolarHBondContact O-OG 3.48Å; R241-S243 VanDerWaalsContact C-N 3.33Å; R241-S243 PolarHBondContact O-N 2.91Å; S243-R247 WeakPolarHBondContact O-CD 3.48Å; S243-R247 VanDerWaalsContact O-CG 3.27Å; S243-R247 WeakPolarHBondContact O-CG 3.49Å; S243-R247 PolarHBondContact O-N 3.45Å |
| 244 | M | 73.8 | Confident | 67.4 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 69% | 0.69 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.5 | -39.1 | 175.7 | -70.7 | -66.7 | -66.9 | 0 | 0 | 112 | K240 R241 L242 | K240-M244 WeakPolarHBondContact O-CG 3.44Å; K240-M244 PolarHBondContact O-N 2.95Å; K240-M244 VanDerWaalsContact O-N 3.11Å; R241-M244 PolarHBondContact O-N 3.37Å; L242-M244 VanDerWaalsContact C-N 3.3Å; L242-M244 PolarHBondContact O-N 3.38Å |
| 245 | L | 69.1 | Low | 65.3 | Low | 139 Ų | 139 | 109.8 Ų | 109.8 | 73% | 0.728 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.8 | -42.3 | 176.4 | -68 | 167.6 | 0 | 0 | 0 | 111.9 | R241 L242 R247 G248 | R241-L245 WeakPolarHBondContact O-CG 3.46Å; R241-L245 PolarHBondContact O-N 2.97Å; L242-L245 PolarHBondContact O-N 2.72Å; L245-R247 PolarHBondContact O-N 2.91Å; L245-G248 PolarHBondContact O-N 3.03Å |
| 246 | S | 60.5 | Low | 63.2 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.3 | -31.3 | 179.9 | -174.4 | 0 | 0 | 0 | 0 | 113.3 | L242 G248 | L242-S246 WeakPolarHBondContact O-CB 3.43Å; L242-S246 PolarHBondContact O-N 3.23Å; S246-G248 VanDerWaalsContact C-N 3.29Å; S246-G248 PolarHBondContact O-N 3.35Å |
| 247 | R | 55.9 | Low | 61.2 | Low | 208 Ų | 208 | 113.3 Ų | 113.3 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 1.9 | -177.5 | -65.5 | 172.3 | 82.7 | 155.5 | 7.1 | 114.4 | S243 L245 | S243-R247 WeakPolarHBondContact O-CD 3.48Å; S243-R247 VanDerWaalsContact O-CG 3.27Å; S243-R247 WeakPolarHBondContact O-CG 3.49Å; S243-R247 PolarHBondContact O-N 3.45Å; L245-R247 PolarHBondContact O-N 2.91Å |
| 248 | G | 53.1 | Low | 59.3 | Low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -0 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | L245 S246 | L245-G248 PolarHBondContact O-N 3.03Å; S246-G248 VanDerWaalsContact C-N 3.29Å; S246-G248 PolarHBondContact O-N 3.35Å |
| 249 | S | 53.7 | Low | 57.4 | Low | 112 Ų | 112 | 121.1 Ų | 121.1 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -121.8 | 40.3 | -165.2 | -159.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 250 | S | 50.9 | Low | 55.4 | Low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -157.7 | 54.3 | -179.8 | 70.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 251 | T | 40.9 | Very low | 52.9 | Low | 141 Ų | 141 | 122.4 Ų | 122.4 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | trans | -152.1 | 151.7 | 165.1 | 33.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 252 | A | 39.2 | Very low | 50.4 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 62.6 | 108.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 253 | A | 40.8 | Very low | 48.6 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | cis | 78.1 | 107.9 | 10.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 254 | G | 39.4 | Very low | 46.7 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | 97.5 | 120.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 255 | G | 39.1 | Very low | 45 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 153.1 | 54.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 256 | D | 43.9 | Very low | 43.4 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -77.2 | 160.6 | 161 | 58.9 | -59.6 | 0 | 0 | 0 | 110.7 | ||||
| 257 | D | 41.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | cis | -151.6 | 167.3 | 9.1 | -177.5 | 23.9 | 0 | 0 | 0 | 110.4 | ||||
| 258 | R | 46.6 | Very low | 41.4 | Very low | 209 Ų | 209 | 117.7 Ų | 117.7 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | 94.2 | 144.1 | 155.9 | -51 | -162.3 | 174.1 | -174.8 | -2.8 | 123 | ||||
| 259 | S | 44.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 83.9 | 63.5 | 156.6 | -57.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 260 | I | 43.8 | Very low | 40 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -48.9 | 129.2 | 151.5 | 39.8 | 162.7 | 0 | 0 | 0 | 113.6 | ||||
| 261 | S | 33.8 | Very low | 39.2 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | 158.6 | 142.9 | 128.4 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 262 | G | 33.8 | Very low | 38.8 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 133.3 | 103 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 263 | S | 38.8 | Very low | 38.6 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -31.7 | 129.3 | 162.5 | 46 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 264 | S | 37.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -88.8 | 102.2 | 160.2 | -58.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 265 | D | 38.7 | Very low | 38.1 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -85.9 | 174.3 | 166.5 | -107.7 | -50.9 | 0 | 0 | 0 | 111.5 | ||||
| 266 | A | 35.8 | Very low | 37.9 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -82.5 | 171.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 267 | S | 37.2 | Very low | 37.2 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 76.6 | 145.9 | 173.3 | -11.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 268 | D | 36.6 | Very low | 36.6 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | cis | -142.1 | 144.8 | 18.7 | -96.3 | -48.4 | 0 | 0 | 0 | 113.4 | ||||
| 269 | T | 39.7 | Very low | 36 | Very low | 148 Ų | 148 | 127 Ų | 127 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -133.1 | 66.2 | 154.4 | 40.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 270 | S | 36.8 | Very low | 35.6 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | -54.7 | 153.3 | 159.7 | -118.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 271 | Q | 33.8 | Very low | 35.1 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | cis | -125.4 | 166.8 | 17.6 | -74.2 | -89.8 | -86.9 | 0 | 0 | 112.5 | ||||
| 272 | S | 33.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -130.3 | 171.5 | -177 | 74.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 273 | D | 35.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | 42.1 | 121.2 | 150.1 | -51.5 | -45.7 | 0 | 0 | 0 | 121.9 | ||||
| 274 | C | 32.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | trans | -135.5 | 94 | 147 | -84.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 275 | S | 36.5 | Very low | 33.9 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 162.9 | 171.5 | -93 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 276 | I | 35.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 73.6 | 105.1 | 173.4 | -60.2 | 169.2 | 0 | 0 | 0 | 115.3 | ||||
| 277 | G | 27.8 | Very low | 33.1 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 93.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 278 | S | 30.3 | Very low | 32.7 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -56 | 153.2 | 175.2 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 279 | R | 33.8 | Very low | 32.1 | Very low | 234 Ų | 234 | 138.4 Ų | 138.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | cis | -155.6 | 168 | 47.8 | -64.5 | 169 | -169.8 | -91.9 | -10.1 | 112.3 | ||||
| 280 | L | 35.9 | Very low | 31.4 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | trans | -67.5 | 136.2 | 173.5 | -71.8 | 157.4 | 0 | 0 | 0 | 113.4 | ||||
| 281 | A | 32.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -159 | 150.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 282 | I | 33.7 | Very low | 30.4 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -103.1 | 143.9 | -178.2 | -61.6 | 157.5 | 0 | 0 | 0 | 109 | ||||
| 283 | W | 25.7 | Very low | 30 | Very low | 239 Ų | 239 | 135.1 Ų | 135.1 | 91% | 0.905 | 81% | 0.814 | S | S | * | * | trans | -152.4 | 160 | 146.3 | -145.5 | -91 | 0 | 0 | 0 | 113.2 | ||||
| 284 | T | 29.9 | Very low | 29.5 | Very low | 109 Ų | 109 | 133 Ų | 133 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | trans | -129.8 | 131.3 | -176.2 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 285 | E | 30.8 | Very low | 29.1 | Very low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | trans | 60 | 158.7 | -177.6 | -130.8 | 70.8 | 167.2 | 0 | 0 | 115.4 | ||||
| 286 | P | 34.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | -146.3 | 143.8 | 94.1 | 36.9 | -20.9 | 0 | 0 | 0 | 115.6 | |||||
| 287 | A | 23.2 | Very low | 28.4 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 138.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 288 | S | 28 | Very low | 28.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -95.7 | 140 | 167.8 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 289 | N | 23.8 | Very low | 28.4 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -147.9 | 136 | -167.6 | -149.7 | -1.3 | 0 | 0 | 0 | 112.6 | ||||
| 290 | A | 25.9 | Very low | 28.1 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | 61.8 | 161.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 291 | T | 25.1 | Very low | 27.8 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | cis | -147.3 | 144.9 | 9.6 | -40.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 292 | G | 24.7 | Very low | 27.6 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 174.2 | 91.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 293 | S | 23.8 | Very low | 27.5 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -68.7 | 130.5 | -176.4 | 156.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 294 | A | 25.2 | Very low | 27.7 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -164 | 150.6 | 140.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 295 | C | 24.3 | Very low | 27.7 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 68% | 0.676 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 163.1 | 174.5 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 296 | H | 30.3 | Very low | 27.5 | Very low | 171 Ų | 171 | 124.1 Ų | 124.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | cis | -161.5 | 159.4 | 39.4 | -88.5 | -81.9 | 0 | 0 | 0 | 113.4 | ||||
| 297 | A | 27.6 | Very low | 27.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | 52.7 | 145.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 298 | G | 26 | Very low | 27.7 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | cis | 156.6 | 112.6 | -13 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 299 | A | 31.1 | Very low | 27.8 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -168.4 | 134.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 300 | K | 29.1 | Very low | 27.9 | Very low | 213 Ų | 213 | 130.9 Ų | 130.9 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | cis | 79.1 | 82.8 | 45.3 | -82.3 | -147.4 | 175.4 | -172.5 | 0 | 116.9 | ||||
| 301 | A | 28.6 | Very low | 28.1 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | -176.7 | 120.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 302 | A | 27.9 | Very low | 28.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | cis | 79.4 | 91.9 | 35 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 303 | L | 32.8 | Very low | 28.6 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | trans | -112.3 | 111.6 | 176 | -137.5 | 174.6 | 0 | 0 | 0 | 108.1 | ||||
| 304 | Q | 28.6 | Very low | 28.6 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 91% | 0.911 | 84% | 0.839 | S | S | * | * | trans | -145.1 | 138.7 | 169.5 | -77.6 | -163.2 | -13.7 | 0 | 0 | 111.3 | ||||
| 305 | T | 29.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | trans | -92.3 | 141.5 | 177.1 | -44 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 306 | A | 28.1 | Very low | 28.7 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | trans | -146.2 | 149.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 307 | E | 28.6 | Very low | 28.7 | Very low | 186 Ų | 186 | 126.6 Ų | 126.6 | 87% | 0.869 | 85% | 0.854 | S | S | * | * | trans | -91.6 | 161.1 | -178.7 | -54.2 | 163.9 | 79.7 | 0 | 0 | 112.8 | ||||
| 308 | K | 32.3 | Very low | 29.1 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 85% | 0.85 | S | S | * | * | 173.3 | 127.5 | 114 | -96.3 | -172.1 | 169.1 | -173.8 | 0 | 117.6 | |||||
| 309 | L | 30.2 | Very low | 29.8 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 85% | 0.851 | S | S | * | * | 47.6 | 131.5 | 126.3 | -59.4 | 173.6 | 0 | 0 | 0 | 124.8 | |||||
| 310 | S | 25.9 | Very low | 29.8 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | -158.9 | 126.4 | 115.8 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 311 | A | 29.7 | Very low | 29.9 | Very low | 103 Ų | 103 | 128 Ų | 128 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | 70.3 | 130.3 | 81.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 312 | G | 28 | Very low | 30.1 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | cis | -140.7 | -154.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 313 | Q | 31.5 | Very low | 31.3 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | cis | -167.3 | 130.7 | 12.2 | 170.7 | 179.1 | -11.3 | 0 | 0 | 112.3 | ||||
| 314 | G | 25.5 | Very low | 32.3 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | 77.9 | 143.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 315 | G | 25.2 | Very low | 32.6 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | cis | 174.3 | 137.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 316 | G | 25.6 | Very low | 32.6 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | 89 | 137.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 317 | G | 29.7 | Very low | 32.9 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | cis | 173.8 | 116.2 | -13.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 318 | R | 36.6 | Very low | 33.1 | Very low | 214 Ų | 214 | 134.6 Ų | 134.6 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 68.8 | 161.5 | 160.2 | -112.8 | -167 | 160.6 | 161.6 | -3.9 | 118.7 | S320 | R318-S320 PolarHBondContact NE-OG 3.49Å; R318-S320 PolarHBondContact NH2-OG 2.89Å | ||
| 319 | P | 40.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | cis | -108.7 | -159 | 41.4 | -0.3 | 25.1 | 0 | 0 | 0 | 118.7 | ||||
| 320 | S | 32.5 | Very low | 33.6 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -126.6 | 176 | -175.8 | -88.2 | 0 | 0 | 0 | 0 | 111.9 | R318 | R318-S320 PolarHBondContact NE-OG 3.49Å; R318-S320 PolarHBondContact NH2-OG 2.89Å | ||
| 321 | A | 29.8 | Very low | 34.2 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | cis | -147.3 | -148.6 | 27.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 322 | K | 34.3 | Very low | 34.9 | Very low | 205 Ų | 205 | 135 Ų | 135 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -123 | 152.7 | -158.2 | -74 | -176.8 | 171.5 | -177 | 0 | 117.7 | ||||
| 323 | P | 52.7 | Low | 35.4 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -101.5 | 172.5 | 162.1 | 42 | -35.6 | 0 | 0 | 0 | 113.1 | ||||
| 324 | P | 53 | Low | 35.6 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -160.8 | 169.8 | 92.4 | 42.8 | -23.3 | 0 | 0 | 0 | 118.9 | |||||
| 325 | R | 34.9 | Very low | 36.4 | Very low | 247 Ų | 247 | 136.3 Ų | 136.3 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | 152.3 | 168 | 148.3 | -89.4 | 176.3 | -175.5 | 169.6 | 2.9 | 112.5 | ||||
| 326 | Q | 31.3 | Very low | 37.1 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | -175 | 123.4 | -67.7 | 172.6 | 179.4 | 3.7 | 0 | 0 | 111.2 | |||||
| 327 | L | 33.5 | Very low | 37.6 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | 179 | 158.7 | 152.5 | -123.4 | 63.7 | 0 | 0 | 0 | 108.5 | ||||
| 328 | Q | 33.4 | Very low | 38.1 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | cis | 79.8 | 142.1 | 8.7 | -65 | -177 | -97.4 | 0 | 0 | 116.6 | ||||
| 329 | D | 35.1 | Very low | 38.2 | Very low | 116 Ų | 116 | 135 Ų | 135 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | cis | -158.7 | 177.5 | -0.8 | -137.8 | -48.7 | 0 | 0 | 0 | 112.3 | ||||
| 330 | I | 37.7 | Very low | 38.4 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 150.2 | 160.1 | -61.7 | 152.1 | 0 | 0 | 0 | 117.4 | ||||
| 331 | G | 37.1 | Very low | 38.9 | Very low | 57 Ų | 57 | 138.3 Ų | 138.3 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | cis | 133 | 107.6 | -11.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 332 | R | 44.8 | Very low | 39.4 | Very low | 236 Ų | 236 | 140.2 Ų | 140.2 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | 170.1 | 134.9 | 159.1 | -89.8 | 141.2 | -160.6 | -102.1 | 3.2 | 107.1 | ||||
| 333 | Q | 38.7 | Very low | 39.5 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | cis | 80.5 | 133.4 | 35 | -72.1 | -161.4 | -49.1 | 0 | 0 | 116.8 | ||||
| 334 | S | 35.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 75.4 | 149 | 165 | -56.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 335 | S | 43 | Very low | 38 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | cis | -179.2 | 158.7 | -19.7 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 336 | S | 39.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 68.1 | 161.9 | 158.3 | -62.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 337 | D | 35.9 | Very low | 38.8 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | cis | -167.1 | 174.4 | -22.1 | 169.6 | 54.9 | 0 | 0 | 0 | 107.8 | ||||
| 338 | S | 41.3 | Very low | 39.1 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 74.4 | 145.9 | 169.1 | -67.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 339 | G | 38.3 | Very low | 39.2 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -172.9 | 155.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 340 | I | 44.7 | Very low | 39.1 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | trans | -86.9 | 140.9 | 176.1 | 39.7 | 170.9 | 0 | 0 | 0 | 111.6 | ||||
| 341 | A | 42.9 | Very low | 39 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -143.2 | 136 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 342 | T | 40.6 | Very low | 38.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -111.2 | 125.6 | -172.3 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 343 | G | 35 | Very low | 38.2 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 59.1 | 134.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 344 | S | 33.4 | Very low | 38 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -166.7 | 157.7 | 132.6 | -88.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 345 | H | 41 | Very low | 38 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -69.5 | 150 | -174.6 | -57.6 | -105.7 | 0 | 0 | 0 | 113.9 | ||||
| 346 | S | 41.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -156 | 151.2 | 133.9 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | S | 41.1 | Very low | 37.6 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -132.5 | 117 | -174.2 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 348 | Y | 40.4 | Very low | 37.6 | Very low | 233 Ų | 233 | 129.8 Ų | 129.8 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -146.9 | 114.4 | 158.5 | -93.5 | -88.3 | 0 | 0 | 0 | 106.2 | ||||
| 349 | S | 36 | Very low | 37.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | 82.5 | 119.2 | 80.9 | -167.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 350 | G | 33.3 | Very low | 37.6 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | 174.9 | 36.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 351 | S | 35.5 | Very low | 37.2 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -69.7 | 140.4 | 173 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 352 | F | 30.3 | Very low | 36.8 | Very low | 216 Ų | 216 | 134.6 Ų | 134.6 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -127 | 132.5 | 159.3 | -114.2 | -87.7 | 0 | 0 | 0 | 109.9 | ||||
| 353 | S | 33.5 | Very low | 37 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 158.1 | -163.8 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 354 | S | 34.9 | Very low | 37 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 144 | 159.9 | -41.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 355 | Y | 35.3 | Very low | 37.1 | Very low | 233 Ų | 233 | 137.1 Ų | 137.1 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92 | 117.2 | 154.9 | -88.2 | -84.3 | 0 | 0 | 0 | 109.2 | ||
| 356 | T | 39 | Very low | 36.8 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88 | 131 | 163.1 | 43 | 0 | 0 | 0 | 0 | 109.2 | ||
| 357 | G | 35 | Very low | 36.7 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -116.5 | 93.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 358 | S | 36.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | trans | -97.3 | 135.6 | 178.5 | 158.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 359 | L | 40.5 | Very low | 36.5 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -153.3 | 141 | 142.1 | -99.2 | 176 | 0 | 0 | 0 | 107.7 | ||||
| 360 | D | 38.8 | Very low | 36.4 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -109.9 | -178.3 | -168.9 | -78.8 | -75.1 | 0 | 0 | 0 | 113.2 | ||||
| 361 | I | 35.3 | Very low | 36.3 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | 83.2 | 126.1 | 167.3 | -51.9 | 164.4 | 0 | 0 | 0 | 113.2 | ||||
| 362 | A | 34.8 | Very low | 36.1 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -141.9 | 173.6 | 11.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 363 | P | 46.2 | Very low | 36.3 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -93.1 | 161.8 | -168.7 | 36.9 | -35.5 | 0 | 0 | 0 | 115.8 | ||||
| 364 | G | 33.8 | Very low | 36.2 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -172 | 100.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 365 | E | 36.8 | Very low | 36.5 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 16.1 | 132.8 | 158.4 | -66 | 164.3 | 145.6 | 0 | 0 | 123.6 | ||||
| 366 | D | 34.7 | Very low | 36.4 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 81.3 | 159.1 | 138.6 | -76.4 | -14.9 | 0 | 0 | 0 | 125.1 | ||||
| 367 | F | 38 | Very low | 36.2 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -82.2 | 138.8 | -167.4 | -71.1 | -113.6 | 0 | 0 | 0 | 113 | ||||
| 368 | G | 33.3 | Very low | 36.3 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -175.9 | 95.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V370 | G368-V370 PolarHBondContact O-N 2.86Š| ||
| 369 | S | 44.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -78.3 | 98.8 | 174.7 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 370 | V | 34.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | trans | -136.5 | 87.3 | 170.6 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | G368 S372 | G368-V370 PolarHBondContact O-N 2.86Å; V370-S372 PolarHBondContact O-N 3.48Å | ||
| 371 | F | 31.4 | Very low | 36.4 | Very low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -81.9 | 91.7 | 164.4 | -93 | -77 | 0 | 0 | 0 | 110 | L373 | F371-L373 PolarHBondContact O-N 3.35Š| ||
| 372 | S | 31.1 | Very low | 36.9 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 122.9 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | V370 | V370-S372 PolarHBondContact O-N 3.48Š|
| 373 | L | 34.3 | Very low | 37.8 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 154.3 | 172 | -69.9 | 173 | 0 | 0 | 0 | 111.7 | F371 | F371-L373 PolarHBondContact O-N 3.35Š|
| 374 | P | 31.3 | Very low | 37.9 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142.5 | -178.5 | -20.2 | 33.5 | 0 | 0 | 0 | 113.8 | Q376 | P374-Q376 PolarHBondContact O-N 3.07Š|
| 375 | P | 42.2 | Very low | 38.9 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -86.9 | 71.5 | -172.3 | 35.6 | -37.3 | 0 | 0 | 0 | 113.3 | ||
| 376 | Q | 33.5 | Very low | 39.9 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -136.1 | 23.9 | 174.8 | -73.6 | -158.4 | -31.6 | 0 | 0 | 115.6 | P374 | P374-Q376 PolarHBondContact O-N 3.07Š| ||
| 377 | L | 33.8 | Very low | 40.5 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -121.7 | 10.3 | 176.7 | -114.2 | 169.6 | 0 | 0 | 0 | 114.7 | ||
| 378 | A | 36.3 | Very low | 40.8 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -95.4 | 8.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 379 | Q | 37.5 | Very low | 40.9 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -144.5 | 53.2 | -165.9 | -159.3 | 168.4 | 11.4 | 0 | 0 | 114.5 | ||
| 380 | E | 37.1 | Very low | 40.5 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -154.6 | 70.8 | 161 | -98.7 | -69.3 | 166.7 | 0 | 0 | 107.7 | ||||
| 381 | L | 44.9 | Very low | 40.7 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -127.2 | 91.5 | 173.4 | -74.7 | 178.3 | 0 | 0 | 0 | 109.2 | F495 | L381-F495 HydrophobicContact CD2-CD2 4.31Å; L381-F495 HydrophobicContact CD2-CE2 4.41Å | ||
| 382 | S | 45.6 | Very low | 40.7 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -79.2 | 126.4 | 175.6 | 45 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 383 | P | 52.5 | Low | 40.7 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -62.9 | 147.6 | 173 | -23 | 34.5 | 0 | 0 | 0 | 111.8 | S385 | P383-S385 PolarHBondContact O-N 2.76Å; P383-S385 VanDerWaalsContact O-N 3.14Å | ||
| 384 | C | 49.8 | Very low | 40.5 | Very low | 39 Ų | 39 | 134.4 Ų | 134.4 | 26% | 0.264 | 77% | 0.769 | S | S | . | * | trans | -68.6 | 110.9 | -177.8 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | C386 | C384-C386 PolarHBondContact O-N 3.24Å; C384-C386 VanDerWaalsContact O-N 3.14Å | ||
| 385 | S | 53.4 | Low | 40.5 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -78.2 | 15.7 | -179.7 | -47.6 | 0 | 0 | 0 | 0 | 115.3 | P383 | P383-S385 PolarHBondContact O-N 2.76Å; P383-S385 VanDerWaalsContact O-N 3.14Å | ||
| 386 | C | 58.3 | Low | 40.1 | Very low | 57 Ų | 57 | 136.6 Ų | 136.6 | 39% | 0.385 | 77% | 0.765 | S | S | . | * | trans | -69.6 | 131.2 | -176.2 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | C384 T388 C492 | C384-C386 PolarHBondContact O-N 3.24Å; C384-C386 VanDerWaalsContact O-N 3.14Å; C386-T388 PolarHBondContact O-N 2.79Å; C386-C492 PolarHBondContact SG-SG 3.25Å | ||
| 387 | P | 48.1 | Very low | 40 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -64.8 | 135.2 | 177.1 | 26.9 | -33.8 | 0 | 0 | 0 | 110.9 | A389 | P387-A389 PolarHBondContact O-N 3.04Å; P387-A389 VanDerWaalsContact O-N 3.13Å | ||
| 388 | T | 43.2 | Very low | 40.2 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -66.7 | 109.6 | 177 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | C386 | C386-T388 PolarHBondContact O-N 2.79Š| ||
| 389 | A | 34.9 | Very low | 40.3 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -64.5 | 134.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P387 | P387-A389 PolarHBondContact O-N 3.04Å; P387-A389 VanDerWaalsContact O-N 3.13Å | ||
| 390 | L | 36 | Very low | 40.6 | Very low | 173 Ų | 173 | 130 Ų | 130 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | trans | -75 | 136.7 | 180 | -82.7 | 159 | 0 | 0 | 0 | 111.6 | ||||
| 391 | G | 40.1 | Very low | 40.7 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 15.6 | 110.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 392 | Q | 31.7 | Very low | 40.5 | Very low | 198 Ų | 198 | 125.4 Ų | 125.4 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -125.1 | 124.5 | 132.1 | -73.6 | -160.7 | -47.4 | 0 | 0 | 108.8 | ||||
| 393 | E | 29.9 | Very low | 40.1 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | -77.6 | 135.8 | 173.1 | -67.3 | -179.6 | 111.2 | 0 | 0 | 110 | Q395 | E393-Q395 PolarHBondContact O-N 3.45Å; E393-Q395 VanDerWaalsContact O-N 3.14Å | ||
| 394 | Y | 29.9 | Very low | 39.4 | Very low | 215 Ų | 215 | 132.2 Ų | 132.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -86.6 | 85.4 | -179.4 | -162.7 | -88 | 0 | 0 | 0 | 110.3 | V396 | Y394-V396 HydrophobicContact CD1-CG2 4.42Å; Y394-V396 PolarHBondContact O-N 3.2Å | ||
| 395 | Q | 31.5 | Very low | 38.5 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -77 | 121.1 | -177.9 | -153.4 | 170.7 | 32.6 | 0 | 0 | 111 | E393 P397 | E393-Q395 PolarHBondContact O-N 3.45Å; E393-Q395 VanDerWaalsContact O-N 3.14Å; Q395-P397 WeakPolarHBondContact O-CD 3.41Å | ||
| 396 | V | 33.8 | Very low | 37.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 125.6 | -173.3 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | Y394 T398 | Y394-V396 HydrophobicContact CD1-CG2 4.42Å; Y394-V396 PolarHBondContact O-N 3.2Å; V396-T398 PolarHBondContact O-N 3.44Å; V396-T398 VanDerWaalsContact O-N 3.14Å | ||
| 397 | P | 32.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -75.9 | 96.7 | 173.8 | -16.6 | 32.4 | 0 | 0 | 0 | 112.4 | Q395 S399 | Q395-P397 WeakPolarHBondContact O-CD 3.41Å; P397-S399 PolarHBondContact O-N 2.9Å; P397-S399 VanDerWaalsContact O-N 3.11Å | ||
| 398 | T | 37.5 | Very low | 35.7 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -81.8 | 82.1 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | V396 | V396-T398 PolarHBondContact O-N 3.44Å; V396-T398 VanDerWaalsContact O-N 3.14Å | ||
| 399 | S | 38.3 | Very low | 35.2 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -160.6 | 70 | 177.6 | 59.5 | 0 | 0 | 0 | 0 | 115.2 | P397 | P397-S399 PolarHBondContact O-N 2.9Å; P397-S399 VanDerWaalsContact O-N 3.11Å | ||
| 400 | L | 44 | Very low | 35 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | 169.5 | 68.5 | 146.6 | -94.8 | 159.4 | 0 | 0 | 0 | 112.9 | ||||
| 401 | V | 38.4 | Very low | 34.6 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | trans | -135.8 | 67.7 | 160.7 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 402 | G | 41.8 | Very low | 34.1 | Very low | 63 Ų | 63 | 158.6 Ų | 158.6 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -114.7 | 94.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 403 | H | 36 | Very low | 33.9 | Very low | 187 Ų | 187 | 158 Ų | 158 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -172.9 | 141.8 | 149.8 | -90.2 | -54.9 | 0 | 0 | 0 | 108.7 | ||||
| 404 | L | 38.6 | Very low | 33.8 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 149.3 | -176.2 | -68.6 | 68.5 | 0 | 0 | 0 | 110.8 | ||||
| 405 | Y | 31.1 | Very low | 33.8 | Very low | 235 Ų | 235 | 150.9 Ų | 150.9 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -141.8 | 146.9 | 136.1 | -122.1 | -82.1 | 0 | 0 | 0 | 111.6 | ||||
| 406 | D | 33.3 | Very low | 33.6 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -79.1 | 160.6 | -169.7 | -165.3 | 6.7 | 0 | 0 | 0 | 112.6 | ||||
| 407 | S | 32 | Very low | 33.3 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -139.8 | 124.7 | 175.2 | -77.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 408 | P | 34.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -74.1 | 145.6 | -156.8 | 27.4 | -35.9 | 0 | 0 | 0 | 114.7 | ||||
| 409 | R | 34 | Very low | 32.7 | Very low | 245 Ų | 245 | 144.8 Ų | 144.8 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -60 | 143.4 | -176.4 | -55.2 | 178 | -176.3 | -157.2 | -1.2 | 113.3 | ||||
| 410 | R | 30.4 | Very low | 32.5 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -117.6 | 99.5 | 149.7 | -81.6 | -169.1 | 174.9 | -176.8 | 0.1 | 111.2 | ||||
| 411 | V | 27.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | 20.9 | 113.3 | 142.8 | -175.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 412 | L | 28.6 | Very low | 31.2 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 71% | 0.707 | 79% | 0.786 | S | S | * | * | trans | 27.3 | 130.8 | 145.8 | -68.8 | 104.2 | 0 | 0 | 0 | 121.3 | E414 | L412-E414 HydrophobicContact CD2-CG 4.42Š| ||
| 413 | H | 27.5 | Very low | 30.3 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | -144.4 | 156.5 | 103 | -143 | -85.7 | 0 | 0 | 0 | 111.9 | |||||
| 414 | E | 28.2 | Very low | 30.7 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -98 | 142.2 | -172.8 | -62.2 | 170.4 | 97.6 | 0 | 0 | 114.1 | L412 | L412-E414 HydrophobicContact CD2-CG 4.42Š| ||
| 415 | A | 29.4 | Very low | 30.1 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 177.1 | 159.9 | 133.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 416 | S | 28.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | cis | 179.2 | 124.7 | -42.1 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 417 | G | 26.7 | Very low | 30 | Very low | 79 Ų | 79 | 139 Ų | 139 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 153.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 418 | G | 29.1 | Very low | 29.7 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | cis | 120.2 | 133.6 | 13.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 419 | D | 28.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | cis | -148.8 | 172.6 | 3.6 | -158.3 | 11.3 | 0 | 0 | 0 | 110.3 | ||||
| 420 | K | 33.3 | Very low | 29.3 | Very low | 152 Ų | 152 | 135 Ų | 135 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -1.3 | 161.3 | 151.8 | -75.8 | 167.7 | -148.6 | 128.9 | 0 | 121.8 | ||||
| 421 | D | 28.6 | Very low | 29.2 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 57% | 0.572 | 78% | 0.775 | S | S | * | * | cis | -157.7 | -177.4 | 8.6 | -120.1 | -29.6 | 0 | 0 | 0 | 108.6 | ||||
| 422 | Y | 26.7 | Very low | 29.3 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | cis | -154.6 | -167.3 | 9.8 | -132 | -33.5 | 0 | 0 | 0 | 111.4 | ||||
| 423 | C | 23.2 | Very low | 29.2 | Very low | 108 Ų | 108 | 124 Ų | 124 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -118.9 | -163.8 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 424 | P | 44.7 | Very low | 29.2 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -127 | -151.9 | -3.9 | 44.6 | -25.1 | 0 | 0 | 0 | 111.3 | ||||
| 425 | A | 26.2 | Very low | 29.1 | Very low | 90 Ų | 90 | 116.3 Ų | 116.3 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | cis | -156.4 | 172.4 | 6.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 426 | E | 30.1 | Very low | 29 | Very low | 195 Ų | 195 | 115.5 Ų | 115.5 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -117 | 154.7 | 162.9 | -73.9 | -166.9 | 145.4 | 0 | 0 | 111.8 | ||||
| 427 | S | 31.3 | Very low | 28.9 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -157.4 | 161.3 | 142 | 73.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 428 | D | 26.6 | Very low | 28.9 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | cis | -150.9 | 179.4 | 16.5 | -138.9 | -43.6 | 0 | 0 | 0 | 113.3 | ||||
| 429 | L | 34.5 | Very low | 28.7 | Very low | 168 Ų | 168 | 121.7 Ų | 121.7 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -84.2 | 153.7 | -171.6 | -67.4 | 154.1 | 0 | 0 | 0 | 115 | ||||
| 430 | G | 26.3 | Very low | 28.6 | Very low | 82 Ų | 82 | 121 Ų | 121 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 173.2 | 140.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 431 | G | 28.3 | Very low | 28.3 | Very low | 74 Ų | 74 | 122.1 Ų | 122.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -172.7 | -174 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 432 | A | 29.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 97% | 0.967 | 80% | 0.796 | S | S | * | * | trans | 68 | 145.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 433 | G | 26.8 | Very low | 28.2 | Very low | 82 Ų | 82 | 120 Ų | 120 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 132.4 | 137.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 434 | G | 27.5 | Very low | 28.3 | Very low | 78 Ų | 78 | 118.2 Ų | 118.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -166.7 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 435 | A | 26.5 | Very low | 27.4 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 101.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 436 | A | 27.1 | Very low | 27.4 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | 93 | 112.6 | 111 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 437 | T | 25.6 | Very low | 27.1 | Very low | 136 Ų | 136 | 115.2 Ų | 115.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 82.4 | 155.7 | 125.7 | 55.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 438 | A | 27.3 | Very low | 26.9 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 76.5 | 131.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 439 | E | 23.5 | Very low | 26.9 | Very low | 184 Ų | 184 | 118.6 Ų | 118.6 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | -165 | -157.7 | -13.5 | -138.4 | 174.8 | -177.2 | 0 | 0 | 110.5 | ||||
| 440 | V | 27.7 | Very low | 26.6 | Very low | 112 Ų | 112 | 118 Ų | 118 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | trans | 92.6 | 101.2 | 160.7 | -172.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 441 | Q | 27.1 | Very low | 27.6 | Very low | 176 Ų | 176 | 119.5 Ų | 119.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 45.1 | 148.7 | 122.9 | -58.2 | 166.8 | 5.9 | 0 | 0 | 120.8 | |||||
| 442 | S | 27.3 | Very low | 27.6 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | cis | -162.9 | 179.7 | -8.7 | -118.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 443 | E | 24.9 | Very low | 27.6 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -11.1 | 160.7 | 149.3 | -63.9 | 146.8 | 111.6 | 0 | 0 | 120 | ||||
| 444 | A | 25.8 | Very low | 27.7 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | cis | 178.6 | 170.7 | -18.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 445 | T | 26.4 | Very low | 27.7 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | trans | 61.3 | 168.8 | 157.3 | 46.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 446 | D | 24.8 | Very low | 27.7 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | cis | -169.1 | 167.5 | -34.8 | -176.2 | 24.3 | 0 | 0 | 0 | 108 | ||||
| 447 | G | 25.3 | Very low | 28.7 | Very low | 54 Ų | 54 | 128.8 Ų | 128.8 | 56% | 0.557 | 77% | 0.772 | S | S | * | * | trans | 80.2 | 115 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 448 | Q | 26.9 | Very low | 28.8 | Very low | 194 Ų | 194 | 127.6 Ų | 127.6 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | 68.6 | 111.8 | 66.5 | -66.9 | -168.6 | -55.1 | 0 | 0 | 116 | |||||
| 449 | S | 26.7 | Very low | 29 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -162.7 | 146.6 | 140.3 | 34.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 450 | D | 28 | Very low | 29.3 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -82.7 | -175.2 | -179.2 | -88.9 | -63.2 | 0 | 0 | 0 | 113.7 | ||||
| 451 | P | 46.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -140.3 | -153.8 | -36.5 | 38.3 | -18.3 | 0 | 0 | 0 | 112.9 | ||||
| 452 | A | 28.4 | Very low | 29.5 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | 77.5 | 149.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 453 | H | 29.3 | Very low | 29.6 | Very low | 179 Ų | 179 | 127 Ų | 127 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | cis | -167.1 | 179.8 | -22.9 | -147.7 | -85.2 | 0 | 0 | 0 | 110 | ||||
| 454 | A | 28.4 | Very low | 29.7 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | trans | 79.4 | 127.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 455 | Q | 28.9 | Very low | 29.8 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | 68.6 | 135.1 | 67.1 | -65 | 179.3 | -5.1 | 0 | 0 | 113.7 | |||||
| 456 | G | 26.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | -165.5 | -143.6 | 9.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 457 | P | 47.7 | Very low | 30 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -134.3 | -161 | -120.3 | 42.8 | -25.7 | 0 | 0 | 0 | 117.5 | |||||
| 458 | S | 28.6 | Very low | 30.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 83.6 | 160.6 | 172 | 86.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 459 | S | 31.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | -179.5 | 162.5 | -19.3 | 45.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 460 | D | 29.6 | Very low | 30.4 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | cis | -171 | 166.2 | -23.4 | 177 | 43.1 | 0 | 0 | 0 | 109.2 | ||||
| 461 | S | 29.5 | Very low | 30.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 68.3 | 163.1 | 172.6 | 83.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 462 | G | 28.8 | Very low | 29.4 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 169.2 | 131 | -13.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 463 | K | 29.8 | Very low | 29.3 | Very low | 197 Ų | 197 | 126 Ų | 126 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | 74.2 | 115.5 | 153.5 | -69.7 | -177.3 | 176.7 | 174 | 0 | 124.2 | ||||
| 464 | T | 26.9 | Very low | 29.3 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | 79 | 136 | 126 | 59.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 465 | K | 27.3 | Very low | 29.2 | Very low | 209 Ų | 209 | 129 Ų | 129 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 66.8 | 150 | 158.2 | -74.4 | -176.5 | 173.5 | -176.9 | 0 | 116.4 | ||||
| 466 | A | 26.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | cis | -148.5 | -175.9 | 17.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 467 | L | 29.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -112.3 | 149.3 | 165.3 | -169.8 | 83.3 | 0 | 0 | 0 | 109.5 | ||||
| 468 | P | 33.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -132.8 | 156 | 139.3 | 37.6 | -27.1 | 0 | 0 | 0 | 113.6 | ||||
| 469 | S | 24.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | -100.6 | 152.6 | -179.5 | -41 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 470 | S | 29.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | 163.3 | 150.2 | 133.9 | -76 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 471 | G | 24.7 | Very low | 28.5 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | 144.1 | 95.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 472 | S | 28.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -105.7 | 132.1 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 473 | S | 27.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -151.3 | 126.7 | 154 | 48.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 474 | H | 28.9 | Very low | 29.7 | Very low | 192 Ų | 192 | 126 Ų | 126 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | trans | -89.2 | 134.9 | 170.3 | -64.3 | -86.9 | 0 | 0 | 0 | 109.2 | ||||
| 475 | S | 25.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -147.8 | 135.2 | 155.4 | -165.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 476 | C | 27.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -98.8 | 129.3 | -176.2 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 477 | G | 26.2 | Very low | 32.8 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | -166.2 | 106.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 478 | S | 27.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | trans | 62.9 | 129.3 | 165 | -149.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 479 | L | 33.2 | Very low | 35.6 | Very low | 177 Ų | 177 | 108.3 Ų | 108.3 | 93% | 0.927 | 72% | 0.715 | S | S | * | * | trans | -83.2 | 111.8 | 165.5 | -76.7 | 153.8 | 0 | 0 | 0 | 109.2 | ||||
| 480 | S | 31.6 | Very low | 36.9 | Very low | 109 Ų | 109 | 109.7 Ų | 109.7 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -96.5 | 125.6 | 160.4 | -168.1 | 0 | 0 | 0 | 0 | 109 | S482 | S480-S482 PolarHBondContact O-N 3.24Š| ||
| 481 | A | 31.6 | Very low | 38.1 | Very low | 92 Ų | 92 | 109.6 Ų | 109.6 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -90.2 | 85.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | K483 | A481-K483 PolarHBondContact O-N 2.95Š| ||
| 482 | S | 34.8 | Very low | 39.7 | Very low | 104 Ų | 104 | 108.9 Ų | 108.9 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -55.4 | 117.1 | 175.6 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | S480 T484 | S480-S482 PolarHBondContact O-N 3.24Å; S482-T484 PolarHBondContact O-N 3.19Å; S482-T484 VanDerWaalsContact O-N 3.09Å | ||
| 483 | K | 36.6 | Very low | 40.9 | Very low | 181 Ų | 181 | 105.5 Ų | 105.5 | 79% | 0.787 | 68% | 0.682 | S | S | * | * | trans | -80.7 | 88.5 | 178.9 | -76 | -176.7 | 177.6 | 176.1 | 0 | 110.5 | A481 V485 | A481-K483 PolarHBondContact O-N 2.95Å; K483-V485 PolarHBondContact O-N 3.29Å | ||
| 484 | T | 42.1 | Very low | 42.6 | Very low | 85 Ų | 85 | 100.6 Ų | 100.6 | 52% | 0.521 | 65% | 0.65 | S | S | . | * | trans | -62.8 | 98.8 | 175.6 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | S482 V486 V497 | S482-T484 PolarHBondContact O-N 3.19Å; S482-T484 VanDerWaalsContact O-N 3.09Å; T484-V486 HydrophobicContact CG2-CG2 4.27Å; T484-V486 PolarHBondContact O-N 3.38Å; T484-V497 HydrophobicContact CG2-CG1 3.71Å; T484-V497 HydrophobicContact CG2-CG2 4.48Å | ||
| 485 | V | 43.7 | Very low | 43.9 | Very low | 92 Ų | 92 | 97 Ų | 97 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 103.5 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 109 | K483 A487 R498 | K483-V485 PolarHBondContact O-N 3.29Å; V485-A487 PolarHBondContact O-N 3.11Å; V485-R498 PolarHBondContact O-N 3.49Å |
| 486 | V | 46.4 | Very low | 45.4 | Very low | 75 Ų | 75 | 96.4 Ų | 96.4 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 109.7 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | T484 F495 | T484-V486 HydrophobicContact CG2-CG2 4.27Å; T484-V486 PolarHBondContact O-N 3.38Å; V486-F495 HydrophobicContact CG1-CB 3.93Å; V486-F495 HydrophobicContact CG1-CD1 3.66Å; V486-F495 HydrophobicContact CG1-CG 4.16Å |
| 487 | A | 55.7 | Low | 46.5 | Very low | 42 Ų | 42 | 94.3 Ų | 94.3 | 35% | 0.347 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90 | 131.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V485 K496 | V485-A487 PolarHBondContact O-N 3.11Å; A487-K496 PolarHBondContact N-O 3.36Å; A487-K496 PolarHBondContact O-N 2.72Å |
| 488 | V | 58.3 | Low | 47.4 | Very low | 90 Ų | 90 | 99 Ų | 99 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.8 | 174 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | S490 F495 | V488-S490 PolarHBondContact O-N 3.27Å; V488-F495 HydrophobicContact CG2-CD1 3.95Å; V488-F495 HydrophobicContact CG2-CE1 3.93Å |
| 489 | C | 61.5 | Low | 47.7 | Very low | 31 Ų | 31 | 101.3 Ų | 101.3 | 21% | 0.209 | 59% | 0.588 | C | S | . | * | P | Polyproline II helix | trans | -71.2 | 118.3 | 176 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | V491 C492 G493 G494 | C489-V491 PolarHBondContact O-N 2.82Å; C489-C492 PolarHBondContact O-N 2.94Å; C489-C492 VanDerWaalsContact SG-SG 3.63Å; C489-G493 WeakPolarHBondContact O-CA 3.41Å; C489-G493 PolarHBondContact O-N 3.26Å; C489-G494 WeakPolarHBondContact CB-O 3.27Å; C489-G494 PolarHBondContact N-O 3.47Å |
| 490 | S | 52.6 | Low | 48.1 | Very low | 127 Ų | 127 | 97.8 Ų | 97.8 | 89% | 0.888 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -9.7 | 179.1 | 51 | 0 | 0 | 0 | 0 | 115.2 | V488 | V488-S490 PolarHBondContact O-N 3.27Š|
| 491 | V | 55.3 | Low | 48.4 | Very low | 129 Ų | 129 | 104.1 Ų | 104.1 | 78% | 0.782 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -29.9 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | C489 | C489-V491 PolarHBondContact O-N 2.82Š|
| 492 | C | 58.7 | Low | 49.3 | Very low | 69 Ų | 69 | 104.7 Ų | 104.7 | 47% | 0.466 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.8 | -0.9 | -173.6 | 69.7 | 0 | 0 | 0 | 0 | 115.7 | C386 C489 G494 | C386-C492 PolarHBondContact SG-SG 3.25Å; C489-C492 PolarHBondContact O-N 2.94Å; C489-C492 VanDerWaalsContact SG-SG 3.63Å; C492-G494 PolarHBondContact O-N 3.23Å; C492-G494 VanDerWaalsContact O-N 3.09Å |
| 493 | G | 52.8 | Low | 50.1 | Low | 45 Ų | 45 | 104.7 Ų | 104.7 | 46% | 0.464 | 59% | 0.585 | S | S | . | * | trans | 71.7 | -7.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C489 | C489-G493 WeakPolarHBondContact O-CA 3.41Å; C489-G493 PolarHBondContact O-N 3.26Å | ||
| 494 | G | 63.9 | Low | 50.8 | Low | 17 Ų | 17 | 100.5 Ų | 100.5 | 18% | 0.175 | 57% | 0.573 | C | S | . | * | trans | -65.6 | 143.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | C489 C492 | C489-G494 WeakPolarHBondContact CB-O 3.27Å; C489-G494 PolarHBondContact N-O 3.47Å; C492-G494 PolarHBondContact O-N 3.23Å; C492-G494 VanDerWaalsContact O-N 3.09Å | ||
| 495 | F | 56.7 | Low | 51.3 | Low | 118 Ų | 118 | 101.4 Ų | 101.4 | 52% | 0.518 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 139.2 | -179.5 | -56.6 | -76.8 | 0 | 0 | 0 | 111.9 | L381 V486 V488 | L381-F495 HydrophobicContact CD2-CD2 4.31Å; L381-F495 HydrophobicContact CD2-CE2 4.41Å; V486-F495 HydrophobicContact CG1-CB 3.93Å; V486-F495 HydrophobicContact CG1-CD1 3.66Å; V486-F495 HydrophobicContact CG1-CG 4.16Å; V488-F495 HydrophobicContact CG2-CD1 3.95Å; V488-F495 HydrophobicContact CG2-CE1 3.93Å |
| 496 | K | 57.1 | Low | 51.8 | Low | 112 Ų | 112 | 102 Ų | 102 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 110.2 | 168.1 | -170.9 | 163.8 | -173.8 | 167.2 | 0 | 109.5 | A487 | A487-K496 PolarHBondContact N-O 3.36Å; A487-K496 PolarHBondContact O-N 2.72Å |
| 497 | V | 49.3 | Very low | 52.2 | Low | 83 Ų | 83 | 103.8 Ų | 103.8 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 134.9 | 168 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | T484 E499 | T484-V497 HydrophobicContact CG2-CG1 3.71Å; T484-V497 HydrophobicContact CG2-CG2 4.48Å; V497-E499 HydrophobicContact CG1-CG 4.31Å |
| 498 | R | 45 | Very low | 51.9 | Low | 173 Ų | 173 | 108.2 Ų | 108.2 | 65% | 0.653 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.4 | 156.6 | -63.6 | -172.2 | -171.5 | -169.4 | 3.5 | 107.4 | V485 | V485-R498 PolarHBondContact O-N 3.49Å |
| 499 | E | 35.8 | Very low | 51.4 | Low | 176 Ų | 176 | 109.6 Ų | 109.6 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | trans | -79.1 | 143.8 | 161.1 | -68.9 | 173 | 135.9 | 0 | 0 | 107.9 | V497 | V497-E499 HydrophobicContact CG1-CG 4.31Š| ||
| 500 | T | 40.1 | Very low | 50.6 | Low | 104 Ų | 104 | 116.2 Ų | 116.2 | 64% | 0.638 | 64% | 0.64 | S | S | * | * | trans | -126.2 | 114.6 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 501 | D | 39.4 | Very low | 50.4 | Low | 241 Ų | 241 | 115.2 Ų | 115.2 | 100% | 1.289 | 62% | 0.618 | S | S | * | * | trans | -65.1 | 0 | 168.5 | -63 | -54.7 | 0 | 0 | 0 | 111.4 |
Retrieved 501 of 501 residues in 251.5 ms
(Link to these results)