| 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 | 64.5 | Low | 85.2 | Confident | 237 Ų | 237 | 94.2 Ų | 94.2 | 100% | 1.167 | 51% | 0.507 | S | S | * | . | 0 | 114.6 | 0 | -64.9 | 176.1 | -179.9 | 0 | 0 | 107.7 | |||||
| 2 | Q | 76.1 | Confident | 85.6 | Confident | 129 Ų | 129 | 88.8 Ų | 88.8 | 60% | 0.603 | 48% | 0.481 | S | S | * | . | trans | -79.1 | 133 | 174.9 | -67.9 | -160.1 | -45.7 | 0 | 0 | 109 | P12 | Q2-P12 HydrophobicContact CB-CG 4.35Å; Q2-P12 WeakPolarHBondContact O-CD 3.47Å | ||
| 3 | I | 89.6 | Confident | 85.9 | Confident | 91 Ų | 91 | 94.5 Ų | 94.5 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | trans | -113 | 156 | 178 | 51 | 166.5 | 0 | 0 | 0 | 109.5 | S5 S8 | I3-S5 PolarHBondContact O-N 2.95Å; I3-S8 WeakPolarHBondContact CD1-O 3.16Å | ||
| 4 | C | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 96.8 Ų | 96.8 | 0% | 0 | 50% | 0.498 | C | S | . | . | trans | -51.4 | 123.3 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | V6 C7 S8 Q10 Y23 C24 C28 | C4-V6 PolarHBondContact O-N 3.05Å; C4-V6 VanDerWaalsContact O-N 3.13Å; C4-V6 PolarHBondContact SG-N 3.38Å; C4-C7 PolarHBondContact SG-N 3.38Å; C4-C7 VanDerWaalsContact SG-N 3.42Å; C4-S8 WeakPolarHBondContact O-CA 3.32Å; C4-S8 PolarHBondContact O-N 2.73Å; C4-Q10 VanDerWaalsContact CB-O 3.29Å; C4-Q10 WeakPolarHBondContact CB-O 3.34Å; C4-Q10 PolarHBondContact N-O 3.37Å; C4-Y23 VanDerWaalsContact SG-CA 3.55Å; C4-C24 HydrophobicContact CB-CB 3.93Å; C4-C24 PolarHBondContact SG-N 2.9Å; C4-C24 VanDerWaalsContact SG-SG 3.64Å; C4-C28 VanDerWaalsContact SG-SG 3.6Å | ||
| 5 | S | 87.3 | Confident | 86.1 | Confident | 78 Ų | 78 | 99.1 Ų | 99.1 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.8 | 178.9 | -53.6 | 0 | 0 | 0 | 0 | 113.8 | I3 R22 | I3-S5 PolarHBondContact O-N 2.95Å; S5-R22 WeakPolarHBondContact CB-O 3.5Å; S5-R22 PolarHBondContact N-O 3.39Å; S5-R22 PolarHBondContact OG-O 3.04Å |
| 6 | V | 89.7 | Confident | 86.1 | Confident | 47 Ų | 47 | 93.1 Ų | 93.1 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -40.6 | -179.1 | -175.3 | 0 | 0 | 0 | 0 | 112 | C4 I21 C28 K31 H32 | C4-V6 PolarHBondContact O-N 3.05Å; C4-V6 VanDerWaalsContact O-N 3.13Å; C4-V6 PolarHBondContact SG-N 3.38Å; V6-I21 HydrophobicContact CG2-CD1 4.03Å; V6-C28 HydrophobicContact CB-CB 3.74Å; V6-C28 HydrophobicContact CG1-CB 3.88Å; V6-C28 HydrophobicContact CG2-CB 4.04Å; V6-K31 HydrophobicContact CG1-CB 3.92Å; V6-K31 HydrophobicContact CG1-CD 4.37Å; V6-H32 HydrophobicContact CG2-CB 3.95Å |
| 7 | C | 88.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 94.1 Ų | 94.1 | 20% | 0.203 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -14 | -176.9 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | C4 E9 | C4-C7 PolarHBondContact SG-N 3.38Å; C4-C7 VanDerWaalsContact SG-N 3.42Å; C7-E9 WeakPolarHBondContact CB-OE2 3.46Å; C7-E9 WeakPolarHBondContact O-CG 3.48Å; C7-E9 PolarHBondContact O-N 2.99Å |
| 8 | S | 89.9 | Confident | 85.5 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 57.7 | 7 | 179.2 | -59.3 | 0 | 0 | 0 | 0 | 116.6 | I3 C4 | I3-S8 WeakPolarHBondContact CD1-O 3.16Å; C4-S8 WeakPolarHBondContact O-CA 3.32Å; C4-S8 PolarHBondContact O-N 2.73Å |
| 9 | E | 87.5 | Confident | 85.4 | Confident | 153 Ų | 153 | 88.5 Ų | 88.5 | 72% | 0.715 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -98.1 | -34.5 | -174.6 | -70.2 | 163 | 114.9 | 0 | 0 | 113.8 | C7 | C7-E9 WeakPolarHBondContact CB-OE2 3.46Å; C7-E9 WeakPolarHBondContact O-CG 3.48Å; C7-E9 PolarHBondContact O-N 2.99Å |
| 10 | Q | 86 | Confident | 85.3 | Confident | 114 Ų | 114 | 90.2 Ų | 90.2 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -124.9 | 150.8 | -168.6 | -67.6 | -68.6 | -24 | 0 | 0 | 110.9 | C4 C24 | C4-Q10 VanDerWaalsContact CB-O 3.29Å; C4-Q10 WeakPolarHBondContact CB-O 3.34Å; C4-Q10 PolarHBondContact N-O 3.37Å; Q10-C24 HydrophobicContact CB-CB 3.79Å |
| 11 | P | 86.7 | Confident | 85.3 | Confident | 79 Ų | 79 | 88.3 Ų | 88.3 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | trans | -60.1 | 136.4 | 171.6 | 26.1 | -32.9 | 0 | 0 | 0 | 109.6 | C24 | P11-C24 WeakPolarHBondContact O-CB 3.43Š| ||
| 12 | P | 90 | Very high | 86.5 | Confident | 30 Ų | 30 | 82 Ų | 82 | 20% | 0.195 | 42% | 0.419 | C | S | . | . | trans | -71.4 | 140.5 | -179.2 | 29.2 | -31 | 0 | 0 | 0 | 110.4 | Q2 R22 Y23 | Q2-P12 HydrophobicContact CB-CG 4.35Å; Q2-P12 WeakPolarHBondContact O-CD 3.47Å; P12-R22 HydrophobicContact CB-CB 3.62Å; P12-R22 HydrophobicContact CG-CB 3.86Å; P12-Y23 CarbonylContact C-O 3.55Å; P12-Y23 WeakPolarHBondContact CA-O 3.36Å | ||
| 13 | K | 89.7 | Confident | 87.2 | Confident | 162 Ų | 162 | 76.9 Ų | 76.9 | 70% | 0.704 | 39% | 0.394 | S | S | * | . | trans | -108.1 | -20.8 | 178.1 | -68.9 | -177.6 | 176.7 | -175.7 | 0 | 112.4 | Y23 | K13-Y23 PolarHBondContact N-O 3.28Š| ||
| 14 | Y | 87.2 | Confident | 87.4 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 50% | 0.498 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 163.3 | -169.9 | -54.6 | -76.9 | 0 | 0 | 0 | 110.9 | R22 Y23 | Y14-R22 CarbonylContact O-C 3.58Å; Y14-R22 WeakPolarHBondContact O-CA 3.44Å; Y14-Y23 HydrophobicContact CD2-CD2 4.32Å; Y14-Y23 AromaticContact CD2-CE2 3.9Å; Y14-Y23 HydrophobicContact CD2-CE2 3.9Å; Y14-Y23 AromaticContact CG-CE2 3.93Å; Y14-Y23 HydrophobicContact CG-CE2 3.93Å; Y14-Y23 PolarHBondContact N-O 3.2Å; Y14-Y23 PolarHBondContact O-N 2.9Å |
| 15 | R | 87.6 | Confident | 87.3 | Confident | 131 Ų | 131 | 75.6 Ų | 75.6 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.7 | -179.4 | -172.5 | -177.4 | -177.3 | -150.4 | 11 | 110.6 | K20 I21 R22 | R15-K20 WeakPolarHBondContact CG-O 3.45Å; R15-K20 PolarHBondContact NE-O 3.25Å; R15-K20 VanDerWaalsContact NE-O 3.11Å; R15-I21 WeakPolarHBondContact CA-O 3.36Å; R15-R22 HydrophobicContact CB-CG 4.49Å; R15-R22 HydrophobicContact CG-CG 4.32Å |
| 16 | C | 85.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 77.8 Ų | 77.8 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | trans | -75.7 | 131.2 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | C19 K20 I21 Y23 H32 C36 | C16-C19 VanDerWaalsContact SG-SG 3.6Å; C16-K20 WeakPolarHBondContact O-CA 3.26Å; C16-K20 PolarHBondContact O-N 2.92Å; C16-I21 HydrophobicContact CB-CG1 4.32Å; C16-I21 PolarHBondContact N-O 3.33Å; C16-Y23 HydrophobicContact CB-CE1 4.4Å; C16-H32 PolarHBondContact SG-NE2 3.38Å; C16-H32 VanDerWaalsContact SG-NE2 3.39Å; C16-C36 VanDerWaalsContact SG-SG 3.61Å | ||
| 17 | P | 81.4 | Confident | 87.2 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 71% | 0.714 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.4 | 178.7 | 26.1 | -33.5 | 0 | 0 | 0 | 113.5 | ||
| 18 | S | 80.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 49% | 0.49 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -41 | -173.1 | -47.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 19 | C | 83.3 | Confident | 87.1 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 9% | 0.088 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -2 | -175.1 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | C16 I21 H32 L37 | C16-C19 VanDerWaalsContact SG-SG 3.6Å; C19-I21 PolarHBondContact O-N 3.11Å; C19-I21 VanDerWaalsContact O-N 3.1Å; C19-H32 PolarHBondContact SG-CE1 3.33Å; C19-H32 PolarHBondContact SG-NE2 3.11Å; C19-L37 WeakPolarHBondContact CB-O 3.47Å |
| 20 | K | 83.9 | Confident | 87.1 | Confident | 122 Ų | 122 | 77 Ų | 77 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | trans | 64.9 | 7.1 | 175.9 | -65.7 | 172.6 | -179.1 | 175.9 | 0 | 116.4 | R15 C16 | R15-K20 WeakPolarHBondContact CG-O 3.45Å; R15-K20 PolarHBondContact NE-O 3.25Å; R15-K20 VanDerWaalsContact NE-O 3.11Å; C16-K20 WeakPolarHBondContact O-CA 3.26Å; C16-K20 PolarHBondContact O-N 2.92Å | ||
| 21 | I | 86.4 | Confident | 87.2 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | trans | -69.3 | 153.5 | 176 | 78.4 | 168.2 | 0 | 0 | 0 | 111.8 | V6 R15 C16 C19 H32 | V6-I21 HydrophobicContact CG2-CD1 4.03Å; R15-I21 WeakPolarHBondContact CA-O 3.36Å; C16-I21 HydrophobicContact CB-CG1 4.32Å; C16-I21 PolarHBondContact N-O 3.33Å; C19-I21 PolarHBondContact O-N 3.11Å; C19-I21 VanDerWaalsContact O-N 3.1Å; I21-H32 HydrophobicContact CD1-CB 4.27Å; I21-H32 WeakPolarHBondContact CD1-CE1 3.36Å; I21-H32 VanDerWaalsContact CD1-CG 3.5Å; I21-H32 WeakPolarHBondContact CD1-ND1 3.31Å | ||
| 22 | R | 89.2 | Confident | 87.2 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.3 | -179.1 | -70 | -160.9 | 173.8 | 95.5 | 6.7 | 111.5 | S5 P12 Y14 R15 | S5-R22 WeakPolarHBondContact CB-O 3.5Å; S5-R22 PolarHBondContact N-O 3.39Å; S5-R22 PolarHBondContact OG-O 3.04Å; P12-R22 HydrophobicContact CB-CB 3.62Å; P12-R22 HydrophobicContact CG-CB 3.86Å; Y14-R22 CarbonylContact O-C 3.58Å; Y14-R22 WeakPolarHBondContact O-CA 3.44Å; R15-R22 HydrophobicContact CB-CG 4.49Å; R15-R22 HydrophobicContact CG-CG 4.32Å |
| 23 | Y | 90.9 | Very high | 86.8 | Confident | 21 Ų | 21 | 80.7 Ų | 80.7 | 8% | 0.082 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.9 | -177 | 65.4 | -92.5 | 0 | 0 | 0 | 112.8 | C4 P12 K13 Y14 C16 S25 C28 Y29 | C4-Y23 VanDerWaalsContact SG-CA 3.55Å; P12-Y23 CarbonylContact C-O 3.55Å; P12-Y23 WeakPolarHBondContact CA-O 3.36Å; K13-Y23 PolarHBondContact N-O 3.28Å; Y14-Y23 HydrophobicContact CD2-CD2 4.32Å; Y14-Y23 AromaticContact CD2-CE2 3.9Å; Y14-Y23 HydrophobicContact CD2-CE2 3.9Å; Y14-Y23 AromaticContact CG-CE2 3.93Å; Y14-Y23 HydrophobicContact CG-CE2 3.93Å; Y14-Y23 PolarHBondContact N-O 3.2Å; Y14-Y23 PolarHBondContact O-N 2.9Å; C16-Y23 HydrophobicContact CB-CE1 4.4Å; Y23-S25 WeakPolarHBondContact CD2-O 3.37Å; Y23-S25 WeakPolarHBondContact CE2-O 3.21Å; Y23-C28 HydrophobicContact CD2-CB 4.23Å; Y23-C28 HydrophobicContact CG-CB 4.39Å; Y23-Y29 HydrophobicContact CE1-CD2 4.03Å; Y23-Y29 HydrophobicContact CE2-CG 4.48Å; Y23-Y29 AromaticContact CZ-CD2 3.81Å |
| 24 | C | 92.4 | Very high | 86.3 | Confident | 16 Ų | 16 | 80.7 Ų | 80.7 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -89.9 | -25.5 | -172.2 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | C4 Q10 P11 C28 | C4-C24 HydrophobicContact CB-CB 3.93Å; C4-C24 PolarHBondContact SG-N 2.9Å; C4-C24 VanDerWaalsContact SG-SG 3.64Å; Q10-C24 HydrophobicContact CB-CB 3.79Å; P11-C24 WeakPolarHBondContact O-CB 3.43Å; C24-C28 PolarHBondContact SG-SG 3.46Å |
| 25 | S | 90.5 | Very high | 85.8 | Confident | 49 Ų | 49 | 78.4 Ų | 78.4 | 34% | 0.343 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -157.2 | 166.8 | -172.4 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | Y23 G27 C28 Y29 | Y23-S25 WeakPolarHBondContact CD2-O 3.37Å; Y23-S25 WeakPolarHBondContact CE2-O 3.21Å; S25-G27 PolarHBondContact O-N 3.44Å; S25-G27 PolarHBondContact OG-N 3.44Å; S25-C28 WeakPolarHBondContact O-CA 3.43Å; S25-C28 WeakPolarHBondContact O-CB 3.35Å; S25-C28 PolarHBondContact O-N 2.92Å; S25-Y29 PolarHBondContact O-N 2.98Å |
| 26 | L | 87.4 | Confident | 85.6 | Confident | 124 Ų | 124 | 73.7 Ų | 73.7 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57 | -29.8 | 173.5 | -63.2 | 178.2 | 0 | 0 | 0 | 113.1 | C28 Y29 K30 | L26-C28 VanDerWaalsContact C-N 3.34Å; L26-Y29 WeakPolarHBondContact O-CB 3.43Å; L26-Y29 PolarHBondContact O-N 3.32Å; L26-K30 PolarHBondContact O-N 3.46Å |
| 27 | G | 86.9 | Confident | 85 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 43% | 0.433 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S25 K31 | S25-G27 PolarHBondContact O-N 3.44Å; S25-G27 PolarHBondContact OG-N 3.44Å; G27-K31 WeakPolarHBondContact O-CG 3.42Å; G27-K31 PolarHBondContact O-N 3.13Å |
| 28 | C | 89.8 | Confident | 84.1 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70.1 | -34.7 | 173.4 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | C4 V6 Y23 C24 S25 L26 K31 H32 | C4-C28 VanDerWaalsContact SG-SG 3.6Å; V6-C28 HydrophobicContact CB-CB 3.74Å; V6-C28 HydrophobicContact CG1-CB 3.88Å; V6-C28 HydrophobicContact CG2-CB 4.04Å; Y23-C28 HydrophobicContact CD2-CB 4.23Å; Y23-C28 HydrophobicContact CG-CB 4.39Å; C24-C28 PolarHBondContact SG-SG 3.46Å; S25-C28 WeakPolarHBondContact O-CA 3.43Å; S25-C28 WeakPolarHBondContact O-CB 3.35Å; S25-C28 PolarHBondContact O-N 2.92Å; L26-C28 VanDerWaalsContact C-N 3.34Å; C28-K31 PolarHBondContact O-N 2.99Å; C28-H32 WeakPolarHBondContact O-CB 3.49Å; C28-H32 PolarHBondContact O-N 3.35Å |
| 29 | Y | 86.9 | Confident | 82.9 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 31% | 0.314 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 173.2 | 178.5 | -107.7 | 0 | 0 | 0 | 112.1 | Y23 S25 L26 K31 H32 K33 | Y23-Y29 HydrophobicContact CE1-CD2 4.03Å; Y23-Y29 HydrophobicContact CE2-CG 4.48Å; Y23-Y29 AromaticContact CZ-CD2 3.81Å; S25-Y29 PolarHBondContact O-N 2.98Å; L26-Y29 WeakPolarHBondContact O-CB 3.43Å; L26-Y29 PolarHBondContact O-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.29Å; Y29-H32 PolarHBondContact O-N 3.29Å; Y29-K33 HydrophobicContact CE1-CD 4.34Å; Y29-K33 WeakPolarHBondContact O-CB 3.22Å; Y29-K33 PolarHBondContact O-N 3.41Å |
| 30 | K | 88.3 | Confident | 81.3 | Confident | 162 Ų | 162 | 88 Ų | 88 | 70% | 0.704 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 179.7 | -71.3 | -179.4 | -179.9 | -175.1 | 0 | 112.7 | L26 H32 K33 | L26-K30 PolarHBondContact O-N 3.46Å; K30-H32 VanDerWaalsContact C-N 3.3Å; K30-H32 PolarHBondContact O-N 3.08Å; K30-K33 PolarHBondContact O-N 2.93Å |
| 31 | K | 86.7 | Confident | 79.4 | Confident | 150 Ų | 150 | 91.2 Ų | 91.2 | 65% | 0.652 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 174.5 | -71.5 | -178.2 | 179.5 | -174.9 | 0 | 111.9 | V6 G27 C28 Y29 S35 | V6-K31 HydrophobicContact CG1-CB 3.92Å; V6-K31 HydrophobicContact CG1-CD 4.37Å; G27-K31 WeakPolarHBondContact O-CG 3.42Å; G27-K31 PolarHBondContact O-N 3.13Å; C28-K31 PolarHBondContact O-N 2.99Å; Y29-K31 PolarHBondContact O-N 3.29Å; K31-S35 PolarHBondContact O-OG 3.1Å |
| 32 | H | 86.3 | Confident | 77.2 | Confident | 12 Ų | 12 | 94.6 Ų | 94.6 | 6% | 0.056 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -72.9 | -36.5 | 178.5 | 169.2 | 54.5 | 0 | 0 | 0 | 113.3 | V6 C16 C19 I21 C28 Y29 K30 D34 S35 C36 | V6-H32 HydrophobicContact CG2-CB 3.95Å; C16-H32 PolarHBondContact SG-NE2 3.38Å; C16-H32 VanDerWaalsContact SG-NE2 3.39Å; C19-H32 PolarHBondContact SG-CE1 3.33Å; C19-H32 PolarHBondContact SG-NE2 3.11Å; I21-H32 HydrophobicContact CD1-CB 4.27Å; I21-H32 WeakPolarHBondContact CD1-CE1 3.36Å; I21-H32 VanDerWaalsContact CD1-CG 3.5Å; I21-H32 WeakPolarHBondContact CD1-ND1 3.31Å; C28-H32 WeakPolarHBondContact O-CB 3.49Å; C28-H32 PolarHBondContact O-N 3.35Å; Y29-H32 PolarHBondContact O-N 3.29Å; K30-H32 VanDerWaalsContact C-N 3.3Å; K30-H32 PolarHBondContact O-N 3.08Å; H32-D34 PolarHBondContact O-N 3.18Å; H32-D34 VanDerWaalsContact O-N 3.1Å; H32-S35 CarbonylContact O-C 3.32Å; H32-S35 VanDerWaalsContact O-C 3.32Å; H32-S35 WeakPolarHBondContact O-CA 3.43Å; H32-S35 PolarHBondContact O-N 3.15Å; H32-S35 PolarHBondContact O-OG 2.99Å; H32-C36 PolarHBondContact NE2-SG 3.5Å; H32-C36 WeakPolarHBondContact O-CB 3.4Å; H32-C36 PolarHBondContact O-N 2.85Å |
| 33 | K | 83.1 | Confident | 74.9 | Confident | 139 Ų | 139 | 93.7 Ų | 93.7 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.6 | -36.3 | -173.5 | -173.9 | 179.1 | 179 | -172.6 | 0 | 112.9 | Y29 K30 C36 | Y29-K33 HydrophobicContact CE1-CD 4.34Å; Y29-K33 WeakPolarHBondContact O-CB 3.22Å; Y29-K33 PolarHBondContact O-N 3.41Å; K30-K33 PolarHBondContact O-N 2.93Å; K33-C36 WeakPolarHBondContact O-CB 3.4Å |
| 34 | D | 79.2 | Confident | 72.5 | Confident | 161 Ų | 161 | 99.1 Ų | 99.1 | 86% | 0.861 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -29.6 | 178.9 | -163.4 | -104.8 | 0 | 0 | 0 | 113.2 | H32 | H32-D34 PolarHBondContact O-N 3.18Å; H32-D34 VanDerWaalsContact O-N 3.1Å |
| 35 | S | 76.1 | Confident | 69.8 | Low | 80 Ų | 80 | 103.6 Ų | 103.6 | 56% | 0.559 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 15.9 | 179.7 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | K31 H32 L37 | K31-S35 PolarHBondContact O-OG 3.1Å; H32-S35 CarbonylContact O-C 3.32Å; H32-S35 VanDerWaalsContact O-C 3.32Å; H32-S35 WeakPolarHBondContact O-CA 3.43Å; H32-S35 PolarHBondContact O-N 3.15Å; H32-S35 PolarHBondContact O-OG 2.99Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact O-N 3.1Å |
| 36 | C | 82.6 | Confident | 67.3 | Low | 32 Ų | 32 | 106.9 Ų | 106.9 | 22% | 0.216 | 59% | 0.587 | C | S | . | * | trans | -80.5 | 94.3 | -175.2 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | C16 H32 K33 | C16-C36 VanDerWaalsContact SG-SG 3.61Å; H32-C36 PolarHBondContact NE2-SG 3.5Å; H32-C36 WeakPolarHBondContact O-CB 3.4Å; H32-C36 PolarHBondContact O-N 2.85Å; K33-C36 WeakPolarHBondContact O-CB 3.4Å | ||
| 37 | L | 72.4 | Confident | 65.3 | Low | 138 Ų | 138 | 106.7 Ų | 106.7 | 72% | 0.723 | 59% | 0.593 | S | S | * | * | trans | -89.9 | 127.4 | 171.3 | -62.6 | 177.7 | 0 | 0 | 0 | 109.8 | C19 S35 V39 | C19-L37 WeakPolarHBondContact CB-O 3.47Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact O-N 3.1Å; L37-V39 PolarHBondContact O-N 3.27Å | ||
| 38 | P | 62.8 | Low | 63.1 | Low | 91 Ų | 91 | 112.2 Ų | 112.2 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | trans | -60.6 | 134.8 | 171.9 | 24.6 | -30.3 | 0 | 0 | 0 | 109 | E40 | P38-E40 PolarHBondContact O-N 3.39Š| ||
| 39 | V | 56.3 | Low | 60.6 | Low | 89 Ų | 89 | 118 Ų | 118 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | trans | -70.3 | 97.5 | 175.8 | 168.3 | 0 | 0 | 0 | 0 | 108 | L37 K41 | L37-V39 PolarHBondContact O-N 3.27Å; V39-K41 PolarHBondContact O-N 3.33Å | ||
| 40 | E | 49.8 | Very low | 58.3 | Low | 178 Ų | 178 | 123.4 Ų | 123.4 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 119.8 | 155 | -67.1 | -152.9 | 108.2 | 0 | 0 | 107.2 | P38 P42 | P38-E40 PolarHBondContact O-N 3.39Å; E40-P42 WeakPolarHBondContact O-CD 3.41Å |
| 41 | K | 44.6 | Very low | 55.6 | Low | 189 Ų | 189 | 122.7 Ų | 122.7 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 118.4 | -179.3 | -61.7 | 169 | -176.6 | 170.5 | 0 | 108.5 | V39 A43 | V39-K41 PolarHBondContact O-N 3.33Å; K41-A43 PolarHBondContact O-N 3.08Å |
| 42 | P | 39.3 | Very low | 53.1 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 79% | 0.792 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 121.3 | 160 | 28 | -25.7 | 0 | 0 | 0 | 107.9 | E40 | E40-P42 WeakPolarHBondContact O-CD 3.41Š|
| 43 | A | 41.4 | Very low | 50.5 | Low | 85 Ų | 85 | 124.4 Ų | 124.4 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 148 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K41 | K41-A43 PolarHBondContact O-N 3.08Š|
| 44 | T | 39.3 | Very low | 48 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | 85.8 | 110.5 | 155.7 | -16.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 45 | S | 36.4 | Very low | 46 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | 159.6 | 125.5 | 100.8 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 46 | N | 38.7 | Very low | 44.5 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | -58 | 157.1 | 161.3 | -144.7 | 19.3 | 0 | 0 | 0 | 109.5 | ||||
| 47 | P | 44.2 | Very low | 42.8 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | -140.1 | 160.7 | 81.1 | 32.3 | -13.5 | 0 | 0 | 0 | 115.4 | |||||
| 48 | E | 41.5 | Very low | 41.2 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -54.7 | 149 | 178.5 | -62.8 | 158.3 | 75.3 | 0 | 0 | 115 | ||||
| 49 | S | 37.9 | Very low | 40.2 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -162.1 | 129.3 | 131.5 | -77 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 50 | K | 37.8 | Very low | 39.7 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -53.8 | 145.5 | 179.3 | -64.4 | 160.4 | 165.1 | 174.4 | 0 | 113.5 | ||||
| 51 | D | 32.2 | Very low | 39.2 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 178.9 | 149.3 | 88.5 | -122.4 | -78.9 | 0 | 0 | 0 | 113.7 | |||||
| 52 | A | 32.3 | Very low | 39.2 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 65.2 | 100 | 155.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 53 | A | 33.1 | Very low | 39.7 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | 62.3 | 119.3 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 54 | G | 30.7 | Very low | 40.1 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 157.2 | 82.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 55 | S | 36.3 | Very low | 40.4 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 120.8 | 156.2 | -61.9 | 0 | 0 | 0 | 0 | 119.9 | E57 | S55-E57 PolarHBondContact O-N 3.34Š| ||
| 56 | A | 45.5 | Very low | 40.9 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -56.3 | 119 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 57 | E | 45.8 | Very low | 41.4 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -140.8 | 118.2 | 141.4 | -70.6 | -73.4 | 69.7 | 0 | 0 | 104.1 | S55 L59 | S55-E57 PolarHBondContact O-N 3.34Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3Å | ||
| 58 | P | 39.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -64 | 103.7 | 164.8 | 21.1 | -17.3 | 0 | 0 | 0 | 105.6 | S60 | P58-S60 PolarHBondContact O-N 2.66Š| ||
| 59 | L | 42.4 | Very low | 41.8 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -58.9 | 91.3 | 162.9 | -69.4 | 173 | 0 | 0 | 0 | 106 | E57 L61 | E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3Å; L59-L61 PolarHBondContact O-N 3.48Å | ||
| 60 | S | 44 | Very low | 42.5 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | trans | -58.2 | 125 | -178.8 | -141.9 | 0 | 0 | 0 | 0 | 107.3 | P58 D62 | P58-S60 PolarHBondContact O-N 2.66Å; S60-D62 WeakPolarHBondContact CB-OD2 3.46Å; S60-D62 PolarHBondContact O-N 3.29Å; S60-D62 PolarHBondContact OG-OD2 2.97Å | ||
| 61 | L | 41.2 | Very low | 43.5 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -63.1 | 9.2 | 173.1 | -104.9 | 75.7 | 0 | 0 | 0 | 112.9 | L59 D63 | L59-L61 PolarHBondContact O-N 3.48Å; L61-D63 VanDerWaalsContact C-N 3.3Å; L61-D63 PolarHBondContact O-N 3.29Å |
| 62 | D | 42.7 | Very low | 45.5 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -70.8 | -14.6 | -175.2 | -78.1 | -94.3 | 0 | 0 | 0 | 114.6 | S60 | S60-D62 WeakPolarHBondContact CB-OD2 3.46Å; S60-D62 PolarHBondContact O-N 3.29Å; S60-D62 PolarHBondContact OG-OD2 2.97Å |
| 63 | D | 50 | Low | 47.8 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -94.7 | 6.2 | -176.8 | -154.1 | 69.2 | 0 | 0 | 0 | 114.1 | L61 | L61-D63 VanDerWaalsContact C-N 3.3Å; L61-D63 PolarHBondContact O-N 3.29Å |
| 64 | L | 50.3 | Low | 50.1 | Low | 150 Ų | 150 | 124.6 Ų | 124.6 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -118.4 | 7.2 | -179.7 | -70 | 174.6 | 0 | 0 | 0 | 114.1 | ||
| 65 | L | 45.5 | Very low | 52.6 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -107.4 | 107.5 | 172.3 | -46.6 | -175 | 0 | 0 | 0 | 107.3 | ||
| 66 | H | 46.8 | Very low | 54.8 | Low | 132 Ų | 132 | 122.2 Ų | 122.2 | 61% | 0.611 | 67% | 0.665 | S | S | * | * | trans | 23.9 | 106.2 | 165.8 | -72.2 | 74.9 | 0 | 0 | 0 | 116.8 | D68 D69 | H66-D68 PolarHBondContact O-N 3.23Å; H66-D69 HydrophobicContact CB-CB 4.38Å; H66-D69 WeakPolarHBondContact CB-OD2 3.47Å; H66-D69 IonicContact CG-OD2 3.97Å; H66-D69 PolarHBondContact O-N 2.88Å | ||
| 67 | E | 48.8 | Very low | 56.6 | Low | 176 Ų | 176 | 124.2 Ų | 124.2 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.3 | -22.9 | 161 | 43.5 | -171.3 | 70.5 | 0 | 0 | 113.5 | I71 | E67-I71 WeakPolarHBondContact O-CG1 3.29Š|
| 68 | D | 46.8 | Very low | 58.4 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 57% | 0.567 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -31.9 | 171.7 | -90.6 | -100.7 | 0 | 0 | 0 | 115.3 | H66 V70 I71 | H66-D68 PolarHBondContact O-N 3.23Å; D68-V70 PolarHBondContact O-N 3Å; D68-I71 PolarHBondContact O-N 3.35Å |
| 69 | D | 48.1 | Very low | 60.6 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -14.5 | 179.9 | -85 | -82.9 | 0 | 0 | 0 | 112.7 | H66 | H66-D69 HydrophobicContact CB-CB 4.38Å; H66-D69 WeakPolarHBondContact CB-OD2 3.47Å; H66-D69 IonicContact CG-OD2 3.97Å; H66-D69 PolarHBondContact O-N 2.88Å |
| 70 | V | 52.6 | Low | 62.6 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -20.6 | 178.3 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | D68 K73 | D68-V70 PolarHBondContact O-N 3Å; V70-K73 PolarHBondContact O-N 2.88Å |
| 71 | I | 59.4 | Low | 64.6 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -38.9 | -176.5 | -58 | 173.4 | 0 | 0 | 0 | 111.1 | E67 D68 K73 | E67-I71 WeakPolarHBondContact O-CG1 3.29Å; D68-I71 PolarHBondContact O-N 3.35Å; I71-K73 PolarHBondContact O-N 2.99Å |
| 72 | D | 72.8 | Confident | 66.8 | Low | 149 Ų | 149 | 109.3 Ų | 109.3 | 80% | 0.797 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -7.5 | 179.9 | -70.3 | -57.4 | 0 | 0 | 0 | 113.5 | ||
| 73 | K | 80.7 | Confident | 68.8 | Low | 158 Ų | 158 | 105.5 Ų | 105.5 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -87.5 | 120.7 | 177.3 | -94.3 | 177.8 | 175 | -70.7 | 0 | 111 | V70 I71 P75 | V70-K73 PolarHBondContact O-N 2.88Å; I71-K73 PolarHBondContact O-N 2.99Å; K73-P75 WeakPolarHBondContact O-CD 3.23Å |
| 74 | V | 81.9 | Confident | 70.4 | Confident | 61 Ų | 61 | 104.8 Ų | 104.8 | 37% | 0.37 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 124.3 | 171.2 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | R78 L79 V134 | V74-R78 HydrophobicContact CG1-CB 3.84Å; V74-L79 HydrophobicContact CB-CD1 4.37Å; V74-L79 HydrophobicContact CB-CG 4.27Å; V74-L79 HydrophobicContact CG1-CD1 4.41Å; V74-L79 HydrophobicContact CG1-CG 3.92Å; V74-L79 VanDerWaalsContact O-CD1 3.32Å; V74-L79 WeakPolarHBondContact O-CD1 3.17Å; V74-V134 HydrophobicContact CB-CG1 4.33Å; V74-V134 HydrophobicContact CG1-CB 4.49Å; V74-V134 HydrophobicContact CG1-CG1 3.58Å; V74-V134 HydrophobicContact CG1-CG2 3.98Å; V74-V134 HydrophobicContact CG2-CG1 3.81Å |
| 75 | P | 84.4 | Confident | 72.2 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 149.7 | 179 | 25.6 | -32.8 | 0 | 0 | 0 | 111.6 | K73 Q77 R78 L79 | K73-P75 WeakPolarHBondContact O-CD 3.23Å; P75-Q77 PolarHBondContact O-N 3.15Å; P75-R78 HydrophobicContact CG-CB 4.15Å; P75-R78 HydrophobicContact CG-CG 3.78Å; P75-R78 PolarHBondContact O-N 2.84Å; P75-L79 PolarHBondContact O-N 2.98Å |
| 76 | P | 81.4 | Confident | 74.2 | Confident | 93 Ų | 93 | 98.1 Ų | 98.1 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -30.7 | -172.6 | 23.2 | -32.9 | 0 | 0 | 0 | 113.6 | R78 L79 Q80 | P76-R78 VanDerWaalsContact C-N 3.28Å; P76-R78 PolarHBondContact O-N 3.18Å; P76-L79 WeakPolarHBondContact O-CB 3.33Å; P76-L79 PolarHBondContact O-N 3.26Å; P76-Q80 PolarHBondContact O-N 3.37Å; P76-Q80 VanDerWaalsContact O-N 3.16Å |
| 77 | Q | 83.3 | Confident | 76.1 | Confident | 135 Ų | 135 | 96.3 Ų | 96.3 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 175 | -61.5 | 81.5 | -3.8 | 0 | 0 | 110.8 | P75 Q80 | P75-Q77 PolarHBondContact O-N 3.15Å; Q77-Q80 PolarHBondContact O-N 3.46Å |
| 78 | R | 83.3 | Confident | 78 | Confident | 47 Ų | 47 | 88 Ų | 88 | 18% | 0.177 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -75.5 | -35 | 178.3 | -64.5 | -173.9 | 84.7 | 151.8 | 28.1 | 112.3 | V74 P75 P76 Q80 L81 V134 D138 | V74-R78 HydrophobicContact CG1-CB 3.84Å; P75-R78 HydrophobicContact CG-CB 4.15Å; P75-R78 HydrophobicContact CG-CG 3.78Å; P75-R78 PolarHBondContact O-N 2.84Å; P76-R78 VanDerWaalsContact C-N 3.28Å; P76-R78 PolarHBondContact O-N 3.18Å; R78-Q80 PolarHBondContact O-N 3.17Å; R78-L81 HydrophobicContact CB-CD1 4.2Å; R78-L81 HydrophobicContact CG-CD1 4.31Å; R78-L81 VanDerWaalsContact O-CB 3.27Å; R78-L81 WeakPolarHBondContact O-CB 3.39Å; R78-L81 PolarHBondContact O-N 3.07Å; R78-V134 PolarHBondContact NE-O 3.29Å; R78-V134 VanDerWaalsContact NE-O 3.14Å; R78-V134 PolarHBondContact NH1-O 3.48Å; R78-V134 PolarHBondContact NH2-O 3.26Å; R78-D138 IonicContact CZ-OD1 3.02Å; R78-D138 IonicContact CZ-OD2 3.56Å; R78-D138 IonicContact NH1-OD1 2.63Å; R78-D138 IonicContact NH1-OD2 3.53Å; R78-D138 PolarHBondContact NH1-OD2 3.2Å; R78-D138 IonicContact NH2-OD1 2.65Å; R78-D138 PolarHBondContact NH2-OD1 3.44Å; R78-D138 IonicContact NH2-OD2 3.24Å; R78-D138 PolarHBondContact NH2-OD2 3.48Å |
| 79 | L | 85.4 | Confident | 80 | Confident | 96 Ų | 96 | 90.7 Ų | 90.7 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.6 | -34.7 | 172.5 | -83 | 149.4 | 0 | 0 | 0 | 112.5 | V74 P75 P76 L81 L82 | V74-L79 HydrophobicContact CB-CD1 4.37Å; V74-L79 HydrophobicContact CB-CG 4.27Å; V74-L79 HydrophobicContact CG1-CD1 4.41Å; V74-L79 HydrophobicContact CG1-CG 3.92Å; V74-L79 VanDerWaalsContact O-CD1 3.32Å; V74-L79 WeakPolarHBondContact O-CD1 3.17Å; P75-L79 PolarHBondContact O-N 2.98Å; P76-L79 WeakPolarHBondContact O-CB 3.33Å; P76-L79 PolarHBondContact O-N 3.26Å; L79-L81 VanDerWaalsContact C-N 3.26Å; L79-L81 PolarHBondContact O-N 2.92Å; L79-L82 VanDerWaalsContact CA-CD1 3.48Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CD1 3.45Å; L79-L82 PolarHBondContact O-N 3.24Å |
| 80 | Q | 85.6 | Confident | 82 | Confident | 140 Ų | 140 | 91 Ų | 91 | 65% | 0.654 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.6 | -27.1 | 178.5 | -167 | 172.1 | -8.1 | 0 | 0 | 113.1 | P76 Q77 R78 L82 G83 | P76-Q80 PolarHBondContact O-N 3.37Å; P76-Q80 VanDerWaalsContact O-N 3.16Å; Q77-Q80 PolarHBondContact O-N 3.46Å; R78-Q80 PolarHBondContact O-N 3.17Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 2.87Å; Q80-G83 PolarHBondContact O-N 2.74Å |
| 81 | L | 86.6 | Confident | 83.7 | Confident | 33 Ų | 33 | 87.6 Ų | 87.6 | 17% | 0.173 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 178.5 | -58.6 | 160.4 | 0 | 0 | 0 | 111.7 | R78 L79 G83 Q84 S85 V133 E137 | R78-L81 HydrophobicContact CB-CD1 4.2Å; R78-L81 HydrophobicContact CG-CD1 4.31Å; R78-L81 VanDerWaalsContact O-CB 3.27Å; R78-L81 WeakPolarHBondContact O-CB 3.39Å; R78-L81 PolarHBondContact O-N 3.07Å; L79-L81 VanDerWaalsContact C-N 3.26Å; L79-L81 PolarHBondContact O-N 2.92Å; L81-G83 PolarHBondContact O-N 2.9Å; L81-Q84 WeakPolarHBondContact O-CB 3.29Å; L81-Q84 PolarHBondContact O-N 3.27Å; L81-S85 PolarHBondContact O-N 3.37Å; L81-V133 HydrophobicContact CB-CG1 3.72Å; L81-E137 VanDerWaalsContact CD1-CD 3.48Å; L81-E137 WeakPolarHBondContact CD1-OE1 3.36Å; L81-E137 WeakPolarHBondContact CD1-OE2 3.48Å; L81-E137 WeakPolarHBondContact CD2-OE1 3.44Å |
| 82 | L | 86.5 | Confident | 85.1 | Confident | 34 Ų | 34 | 84.6 Ų | 84.6 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.7 | -33 | 174.9 | -69.1 | 104.7 | 0 | 0 | 0 | 111.9 | L79 Q80 Q84 L88 C130 V133 V134 | L79-L82 VanDerWaalsContact CA-CD1 3.48Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CD1 3.45Å; L79-L82 PolarHBondContact O-N 3.24Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 2.87Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; L82-L88 HydrophobicContact CB-CD1 3.91Å; L82-L88 HydrophobicContact CD2-CD1 3.83Å; L82-L88 HydrophobicContact CG-CD1 4.02Å; L82-C130 HydrophobicContact CD2-CB 3.66Å; L82-C130 WeakPolarHBondContact CD2-SG 3.27Å; L82-V133 HydrophobicContact CG-CG1 4.41Å; L82-V134 HydrophobicContact CD1-CG2 3.74Å; L82-V134 HydrophobicContact CG-CG2 4.39Å |
| 83 | G | 84.4 | Confident | 86 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -17.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q80 L81 | Q80-G83 PolarHBondContact O-N 2.74Å; L81-G83 PolarHBondContact O-N 2.9Å |
| 84 | Q | 84.9 | Confident | 86.5 | Confident | 137 Ų | 137 | 76.6 Ų | 76.6 | 64% | 0.64 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -23.3 | 177.1 | -57.3 | -178.4 | 26 | 0 | 0 | 112.1 | L81 L82 T86 | L81-Q84 WeakPolarHBondContact O-CB 3.29Å; L81-Q84 PolarHBondContact O-N 3.27Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; Q84-T86 PolarHBondContact O-N 3.18Å |
| 85 | S | 87.9 | Confident | 87 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 16% | 0.161 | 42% | 0.417 | C | S | . | . | trans | -69.4 | 115.5 | 177 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | L81 E87 L88 R89 | L81-S85 PolarHBondContact O-N 3.37Å; S85-E87 VanDerWaalsContact C-N 3.34Å; S85-L88 PolarHBondContact OG-N 3.18Å; S85-R89 WeakPolarHBondContact O-CG 3.47Å; S85-R89 PolarHBondContact O-N 3.36Å | ||
| 86 | T | 86.8 | Confident | 87.3 | Confident | 112 Ų | 112 | 79.4 Ų | 79.4 | 69% | 0.687 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -68.9 | -33 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | Q84 R89 D90 | Q84-T86 PolarHBondContact O-N 3.18Å; T86-R89 PolarHBondContact O-N 3.06Å; T86-D90 PolarHBondContact O-N 2.97Å |
| 87 | E | 87.1 | Confident | 87.7 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 177 | -62.9 | -176.4 | 110.8 | 0 | 0 | 111.5 | S85 R89 D90 L91 R129 | S85-E87 VanDerWaalsContact C-N 3.34Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 PolarHBondContact O-N 3.46Å; E87-D90 PolarHBondContact O-N 3.5Å; E87-L91 PolarHBondContact O-N 3.32Å; E87-L91 VanDerWaalsContact O-N 3.08Å; E87-R129 IonicContact OE1-CZ 3.18Å; E87-R129 IonicContact OE1-NH1 2.9Å; E87-R129 PolarHBondContact OE1-NH1 3.24Å; E87-R129 IonicContact OE1-NH2 2.88Å; E87-R129 PolarHBondContact OE1-NH2 3.13Å; E87-R129 IonicContact OE2-CZ 3.59Å; E87-R129 IonicContact OE2-NH1 2.74Å; E87-R129 PolarHBondContact OE2-NH1 3.5Å |
| 88 | L | 88.3 | Confident | 88.2 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 176 | -79.7 | 174.8 | 0 | 0 | 0 | 112.1 | L82 S85 D90 L91 L92 F126 R129 V133 | L82-L88 HydrophobicContact CB-CD1 3.91Å; L82-L88 HydrophobicContact CD2-CD1 3.83Å; L82-L88 HydrophobicContact CG-CD1 4.02Å; S85-L88 PolarHBondContact OG-N 3.18Å; L88-D90 VanDerWaalsContact C-N 3.34Å; L88-L91 PolarHBondContact O-N 3.33Å; L88-L92 WeakPolarHBondContact O-CB 3.4Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 2.85Å; L88-F126 HydrophobicContact CD2-CD2 3.94Å; L88-F126 HydrophobicContact CD2-CE2 4.04Å; L88-R129 HydrophobicContact CD2-CB 3.48Å; L88-R129 VanDerWaalsContact CD2-CB 3.48Å; L88-R129 HydrophobicContact CG-CB 4.14Å; L88-V133 HydrophobicContact CD1-CG2 4.06Å |
| 89 | R | 88.6 | Confident | 88.6 | Confident | 162 Ų | 162 | 78.5 Ų | 78.5 | 61% | 0.611 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.4 | -36.7 | 177 | -68.9 | -178.8 | 75.7 | 147.5 | 0.7 | 112.2 | S85 T86 E87 L92 C93 | S85-R89 WeakPolarHBondContact O-CG 3.47Å; S85-R89 PolarHBondContact O-N 3.36Å; T86-R89 PolarHBondContact O-N 3.06Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 PolarHBondContact O-N 3.46Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.01Å; R89-C93 PolarHBondContact O-N 3.28Å; R89-C93 VanDerWaalsContact O-N 3.11Å; R89-C93 PolarHBondContact O-SG 3.48Å; R89-C93 VanDerWaalsContact O-SG 3.39Å |
| 90 | D | 89.8 | Confident | 88.9 | Confident | 121 Ų | 121 | 75.1 Ų | 75.1 | 65% | 0.647 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.9 | -44.7 | 175.2 | -168.3 | -105.7 | 0 | 0 | 0 | 111.5 | T86 E87 L88 L92 C93 | T86-D90 PolarHBondContact O-N 2.97Å; E87-D90 PolarHBondContact O-N 3.5Å; L88-D90 VanDerWaalsContact C-N 3.34Å; D90-L92 VanDerWaalsContact C-N 3.28Å; D90-L92 PolarHBondContact O-N 3.25Å; D90-C93 WeakPolarHBondContact O-CB 3.32Å; D90-C93 PolarHBondContact O-N 3.33Å |
| 91 | L | 88.5 | Confident | 89.3 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 171.7 | -80.1 | 156.5 | 0 | 0 | 0 | 111.8 | E87 L88 C93 N94 L97 E125 R129 | E87-L91 PolarHBondContact O-N 3.32Å; E87-L91 VanDerWaalsContact O-N 3.08Å; L88-L91 PolarHBondContact O-N 3.33Å; L91-C93 PolarHBondContact O-N 3.29Å; L91-N94 VanDerWaalsContact O-CB 3.31Å; L91-N94 WeakPolarHBondContact O-CB 3.37Å; L91-N94 PolarHBondContact O-N 3.1Å; L91-N94 VanDerWaalsContact O-N 3.11Å; L91-L97 HydrophobicContact CB-CD2 4.16Å; L91-L97 WeakPolarHBondContact O-CD2 3.37Å; L91-E125 HydrophobicContact CD1-CG 4.47Å; L91-E125 HydrophobicContact CD2-CG 4.14Å; L91-R129 HydrophobicContact CD1-CB 4.31Å; L91-R129 HydrophobicContact CD1-CG 3.89Å |
| 92 | L | 89.8 | Confident | 89.6 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -9.3 | 175.6 | -70.6 | 168.7 | 0 | 0 | 0 | 113.8 | L88 R89 D90 N94 L97 R98 L101 F126 | L88-L92 WeakPolarHBondContact O-CB 3.4Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 2.85Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.01Å; D90-L92 VanDerWaalsContact C-N 3.28Å; D90-L92 PolarHBondContact O-N 3.25Å; L92-N94 PolarHBondContact O-N 2.87Å; L92-L97 HydrophobicContact CD2-CD2 4.41Å; L92-R98 VanDerWaalsContact O-CZ 3.25Å; L92-R98 PolarHBondContact O-NE 3.16Å; L92-R98 PolarHBondContact O-NH2 3.25Å; L92-L101 HydrophobicContact CD2-CD1 3.73Å; L92-F126 HydrophobicContact CD1-CE2 4.43Å; L92-F126 HydrophobicContact CD2-CD2 4.5Å; L92-F126 HydrophobicContact CD2-CE2 3.93Å; L92-F126 HydrophobicContact CG-CE2 4.14Å |
| 93 | C | 91.1 | Very high | 89.9 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22 | 168.5 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | R89 D90 L91 P95 R98 | R89-C93 PolarHBondContact O-N 3.28Å; R89-C93 VanDerWaalsContact O-N 3.11Å; R89-C93 PolarHBondContact O-SG 3.48Å; R89-C93 VanDerWaalsContact O-SG 3.39Å; D90-C93 WeakPolarHBondContact O-CB 3.32Å; D90-C93 PolarHBondContact O-N 3.33Å; L91-C93 PolarHBondContact O-N 3.29Å; C93-P95 WeakPolarHBondContact O-CD 3.47Å; C93-R98 VanDerWaalsContact C-NH2 3.32Å; C93-R98 PolarHBondContact O-NH2 3.43Å |
| 94 | N | 91.4 | Very high | 90.4 | Very high | 58 Ų | 58 | 78.5 Ų | 78.5 | 31% | 0.31 | 39% | 0.391 | S | S | . | . | trans | -73.6 | 119.5 | 179.2 | -166.3 | -36.8 | 0 | 0 | 0 | 111.9 | L91 L92 H96 L97 R98 | L91-N94 VanDerWaalsContact O-CB 3.31Å; L91-N94 WeakPolarHBondContact O-CB 3.37Å; L91-N94 PolarHBondContact O-N 3.1Å; L91-N94 VanDerWaalsContact O-N 3.11Å; L92-N94 PolarHBondContact O-N 2.87Å; N94-H96 VanDerWaalsContact C-N 3.3Å; N94-H96 PolarHBondContact O-N 3.15Å; N94-H96 WeakPolarHBondContact OD1-CB 3.31Å; N94-H96 PolarHBondContact OD1-N 3.37Å; N94-L97 HydrophobicContact CB-CB 4.19Å; N94-L97 PolarHBondContact O-N 3.49Å; N94-R98 PolarHBondContact O-N 2.97Å | ||
| 95 | P | 91.6 | Very high | 90.8 | Very high | 88 Ų | 88 | 78.3 Ų | 78.3 | 57% | 0.571 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.4 | -32 | -179.2 | 26.8 | -34.6 | 0 | 0 | 0 | 113.1 | C93 R98 Q99 | C93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-R98 PolarHBondContact O-N 3.47Å; P95-Q99 PolarHBondContact O-N 3.25Å |
| 96 | H | 90.6 | Very high | 91.1 | Very high | 89 Ų | 89 | 84.2 Ų | 84.2 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 179.2 | -174.4 | -96.4 | 0 | 0 | 0 | 111.1 | N94 R98 Q99 L100 | N94-H96 VanDerWaalsContact C-N 3.3Å; N94-H96 PolarHBondContact O-N 3.15Å; N94-H96 WeakPolarHBondContact OD1-CB 3.31Å; N94-H96 PolarHBondContact OD1-N 3.37Å; H96-R98 VanDerWaalsContact C-N 3.35Å; H96-R98 PolarHBondContact O-N 3.26Å; H96-Q99 PolarHBondContact O-N 3.33Å; H96-L100 WeakPolarHBondContact O-CB 3.29Å; H96-L100 PolarHBondContact O-N 3.44Å |
| 97 | L | 90.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 177.3 | -176.3 | 66.5 | 0 | 0 | 0 | 111.6 | L91 L92 N94 Q99 L100 L101 F123 F126 | L91-L97 HydrophobicContact CB-CD2 4.16Å; L91-L97 WeakPolarHBondContact O-CD2 3.37Å; L92-L97 HydrophobicContact CD2-CD2 4.41Å; N94-L97 HydrophobicContact CB-CB 4.19Å; N94-L97 PolarHBondContact O-N 3.49Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3.06Å; L97-L100 PolarHBondContact O-N 2.95Å; L97-L101 HydrophobicContact CG-CD1 4.28Å; L97-L101 WeakPolarHBondContact O-CG 3.39Å; L97-L101 PolarHBondContact O-N 3.22Å; L97-F123 HydrophobicContact CD1-CD2 4.43Å; L97-F126 HydrophobicContact CD1-CB 3.98Å; L97-F126 HydrophobicContact CD1-CG 4.33Å; L97-F126 HydrophobicContact CD2-CB 3.98Å; L97-F126 HydrophobicContact CD2-CD2 3.97Å; L97-F126 HydrophobicContact CD2-CG 4.09Å |
| 98 | R | 92.8 | Very high | 91.7 | Very high | 113 Ų | 113 | 85.7 Ų | 85.7 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.8 | -63.2 | -173.5 | -149 | 131.6 | 11.4 | 112.4 | L92 C93 N94 P95 H96 L100 R102 | L92-R98 VanDerWaalsContact O-CZ 3.25Å; L92-R98 PolarHBondContact O-NE 3.16Å; L92-R98 PolarHBondContact O-NH2 3.25Å; C93-R98 VanDerWaalsContact C-NH2 3.32Å; C93-R98 PolarHBondContact O-NH2 3.43Å; N94-R98 PolarHBondContact O-N 2.97Å; P95-R98 PolarHBondContact O-N 3.47Å; H96-R98 VanDerWaalsContact C-N 3.35Å; H96-R98 PolarHBondContact O-N 3.26Å; R98-L100 VanDerWaalsContact C-N 3.34Å; R98-R102 VanDerWaalsContact O-CG 3.32Å; R98-R102 WeakPolarHBondContact O-CG 3.27Å; R98-R102 PolarHBondContact O-N 2.91Å |
| 99 | Q | 92.4 | Very high | 91.9 | Very high | 140 Ų | 140 | 88.9 Ų | 88.9 | 65% | 0.654 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 177.3 | -178 | 169.6 | -11.6 | 0 | 0 | 110.9 | P95 H96 L97 R102 S103 | P95-Q99 PolarHBondContact O-N 3.25Å; H96-Q99 PolarHBondContact O-N 3.33Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3.06Å; Q99-R102 PolarHBondContact O-N 3.26Å; Q99-S103 WeakPolarHBondContact O-CB 3.09Å; Q99-S103 PolarHBondContact O-N 3.28Å |
| 100 | L | 91.8 | Very high | 92 | Very high | 26 Ų | 26 | 88 Ų | 88 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62 | -47 | 176.2 | -164.9 | 74.8 | 0 | 0 | 0 | 111.2 | H96 L97 R98 R102 S103 V104 A117 E120 F123 | H96-L100 WeakPolarHBondContact O-CB 3.29Å; H96-L100 PolarHBondContact O-N 3.44Å; L97-L100 PolarHBondContact O-N 2.95Å; R98-L100 VanDerWaalsContact C-N 3.34Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.05Å; L100-S103 WeakPolarHBondContact CA-OG 3.35Å; L100-S103 PolarHBondContact O-N 3.14Å; L100-S103 VanDerWaalsContact O-N 3.1Å; L100-S103 PolarHBondContact O-OG 2.74Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.05Å; L100-A117 HydrophobicContact CD1-CB 4.32Å; L100-A117 HydrophobicContact CD2-CB 4.04Å; L100-A117 HydrophobicContact CG-CB 4.05Å; L100-E120 HydrophobicContact CD1-CG 4.2Å; L100-E120 HydrophobicContact CD2-CB 3.89Å; L100-E120 HydrophobicContact CD2-CG 3.98Å; L100-F123 HydrophobicContact CD2-CB 3.49Å; L100-F123 VanDerWaalsContact CD2-CB 3.49Å; L100-F123 HydrophobicContact CD2-CD2 3.6Å; L100-F123 HydrophobicContact CD2-CG 3.8Å; L100-F123 HydrophobicContact CG-CD2 4.29Å |
| 101 | L | 92.9 | Very high | 92 | Very high | 51 Ų | 51 | 86 Ų | 86 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 175.3 | -73.4 | 166.4 | 0 | 0 | 0 | 112.2 | L92 L97 S103 V104 D105 F123 F126 | L92-L101 HydrophobicContact CD2-CD1 3.73Å; L97-L101 HydrophobicContact CG-CD1 4.28Å; L97-L101 WeakPolarHBondContact O-CG 3.39Å; L97-L101 PolarHBondContact O-N 3.22Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.65Å; L101-V104 PolarHBondContact O-N 2.72Å; L101-D105 PolarHBondContact O-N 3.05Å; L101-D105 VanDerWaalsContact O-N 3.08Å; L101-F123 HydrophobicContact CD2-CD2 4.4Å; L101-F123 HydrophobicContact CD2-CE2 3.77Å; L101-F126 HydrophobicContact CD1-CE1 4.18Å; L101-F126 HydrophobicContact CD1-CE2 4.5Å; L101-F126 HydrophobicContact CD1-CZ 4.08Å; L101-F126 HydrophobicContact CD2-CD1 4.14Å; L101-F126 HydrophobicContact CD2-CE1 3.6Å; L101-F126 HydrophobicContact CD2-CZ 4.22Å; L101-F126 HydrophobicContact CG-CE1 4.47Å |
| 102 | R | 93.9 | Very high | 92.2 | Very high | 188 Ų | 188 | 88.6 Ų | 88.6 | 71% | 0.709 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 175.3 | -71.6 | 177.4 | -171.4 | -157.3 | 1.3 | 112.4 | R98 Q99 L100 V104 D105 D106 | R98-R102 VanDerWaalsContact O-CG 3.32Å; R98-R102 WeakPolarHBondContact O-CG 3.27Å; R98-R102 PolarHBondContact O-N 2.91Å; Q99-R102 PolarHBondContact O-N 3.26Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.05Å; R102-V104 VanDerWaalsContact C-N 3.28Å; R102-V104 PolarHBondContact O-N 3.17Å; R102-D105 PolarHBondContact O-N 3.32Å; R102-D106 WeakPolarHBondContact O-CB 3.39Å; R102-D106 PolarHBondContact O-N 3.24Å |
| 103 | S | 92.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 86.7 Ų | 86.7 | 43% | 0.434 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 178.6 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | Q99 L100 L101 A107 | Q99-S103 WeakPolarHBondContact O-CB 3.09Å; Q99-S103 PolarHBondContact O-N 3.28Å; L100-S103 WeakPolarHBondContact CA-OG 3.35Å; L100-S103 PolarHBondContact O-N 3.14Å; L100-S103 VanDerWaalsContact O-N 3.1Å; L100-S103 PolarHBondContact O-OG 2.74Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.65Å; S103-A107 WeakPolarHBondContact O-CB 3.36Å; S103-A107 PolarHBondContact O-N 2.63Å; S103-A107 VanDerWaalsContact O-N 3.15Å |
| 104 | V | 94.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 86.7 Ų | 86.7 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.5 | -38 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L100 L101 R102 A113 M114 A117 | L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.05Å; L101-V104 PolarHBondContact O-N 2.72Å; R102-V104 VanDerWaalsContact C-N 3.28Å; R102-V104 PolarHBondContact O-N 3.17Å; V104-A113 HydrophobicContact CG2-CB 4.41Å; V104-M114 HydrophobicContact CG1-CE 3.96Å; V104-A117 HydrophobicContact CG2-CB 3.53Å |
| 105 | D | 93.8 | Very high | 92.6 | Very high | 132 Ų | 132 | 91.2 Ų | 91.2 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.6 | -41.4 | 179.6 | -168.1 | 59.5 | 0 | 0 | 0 | 112.8 | L101 R102 | L101-D105 PolarHBondContact O-N 3.05Å; L101-D105 VanDerWaalsContact O-N 3.08Å; R102-D105 PolarHBondContact O-N 3.32Å |
| 106 | D | 94.9 | Very high | 92.7 | Very high | 147 Ų | 147 | 89.9 Ų | 89.9 | 79% | 0.786 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -83 | -15.1 | -179.3 | -167.1 | -112.3 | 0 | 0 | 0 | 113.5 | R102 E108 | R102-D106 WeakPolarHBondContact O-CB 3.39Å; R102-D106 PolarHBondContact O-N 3.24Å; D106-E108 PolarHBondContact O-N 3.34Å |
| 107 | A | 94.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 85.7 Ų | 85.7 | 21% | 0.207 | 45% | 0.45 | C | S | . | . | trans | -60.5 | 131.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S103 S109 A113 | S103-A107 WeakPolarHBondContact O-CB 3.36Å; S103-A107 PolarHBondContact O-N 2.63Å; S103-A107 VanDerWaalsContact O-N 3.15Å; A107-S109 PolarHBondContact O-N 3.37Å; A107-A113 HydrophobicContact CB-CB 3.33Å | ||
| 108 | E | 90.4 | Very high | 92.8 | Very high | 212 Ų | 212 | 90.8 Ų | 90.8 | 99% | 0.991 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -58.8 | -35.3 | 172.9 | -168.4 | 174 | 88.6 | 0 | 0 | 111.9 | D106 | D106-E108 PolarHBondContact O-N 3.34Š|
| 109 | S | 93.6 | Very high | 92.8 | Very high | 68 Ų | 68 | 92.4 Ų | 92.4 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | trans | -114.6 | 92.4 | 173 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | A107 A111 S112 A113 | A107-S109 PolarHBondContact O-N 3.37Å; S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 2.53Å; S109-S112 PolarHBondContact O-N 3.38Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.3Å | ||
| 110 | K | 90.8 | Very high | 92.8 | Very high | 144 Ų | 144 | 89.3 Ų | 89.3 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.3 | -38.9 | 179.1 | -65.6 | -178.8 | 179.3 | 176.2 | 0 | 113.4 | A113 M114 | K110-A113 PolarHBondContact O-N 3.21Å; K110-M114 WeakPolarHBondContact O-CB 3.45Å; K110-M114 PolarHBondContact O-N 3.34Å |
| 111 | A | 90.1 | Very high | 92.8 | Very high | 79 Ų | 79 | 92.7 Ų | 92.7 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | S109 K115 | S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 2.53Å; A111-K115 PolarHBondContact O-N 2.74Å; A111-K115 VanDerWaalsContact O-N 3.1Å |
| 112 | S | 93 | Very high | 92.6 | Very high | 77 Ų | 77 | 93 Ų | 93 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.4 | -42.9 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | S109 K115 A116 | S109-S112 PolarHBondContact O-N 3.38Å; S112-K115 PolarHBondContact O-N 3.36Å; S112-A116 PolarHBondContact O-N 2.91Å |
| 113 | A | 93.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 84.7 Ų | 84.7 | 17% | 0.165 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V104 A107 S109 K110 K115 A116 A117 | V104-A113 HydrophobicContact CG2-CB 4.41Å; A107-A113 HydrophobicContact CB-CB 3.33Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.3Å; K110-A113 PolarHBondContact O-N 3.21Å; A113-K115 PolarHBondContact O-N 2.91Å; A113-A116 PolarHBondContact O-N 3.36Å; A113-A117 WeakPolarHBondContact O-CB 3.12Å; A113-A117 PolarHBondContact O-N 3.41Å |
| 114 | M | 93.6 | Very high | 92.6 | Very high | 81 Ų | 81 | 84.2 Ų | 84.2 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 173.4 | -174.6 | 59.6 | 74.4 | 0 | 0 | 111 | V104 K110 A116 A117 M118 F123 | V104-M114 HydrophobicContact CG1-CE 3.96Å; K110-M114 WeakPolarHBondContact O-CB 3.45Å; K110-M114 PolarHBondContact O-N 3.34Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.91Å; M114-A117 PolarHBondContact O-N 2.93Å; M114-M118 HydrophobicContact CG-CG 4.44Å; M114-M118 HydrophobicContact CG-SD 4.39Å; M114-M118 VanDerWaalsContact O-CG 3.29Å; M114-M118 WeakPolarHBondContact O-CG 3.21Å; M114-M118 PolarHBondContact O-N 2.97Å; M114-M118 HydrophobicContact SD-CG 4.35Å; M114-F123 HydrophobicContact CE-CZ 4.47Å; M114-F123 HydrophobicContact SD-CE1 3.79Å; M114-F123 HydrophobicContact SD-CZ 3.8Å |
| 115 | K | 92.9 | Very high | 92.5 | Very high | 153 Ų | 153 | 87.7 Ų | 87.7 | 67% | 0.665 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.2 | -41 | 178.3 | -172.6 | 178 | -177.3 | 179.5 | 0 | 112.5 | A111 S112 A113 | A111-K115 PolarHBondContact O-N 2.74Å; A111-K115 VanDerWaalsContact O-N 3.1Å; S112-K115 PolarHBondContact O-N 3.36Å; A113-K115 PolarHBondContact O-N 2.91Å |
| 116 | A | 92.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 82.9 Ų | 82.9 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S112 A113 M114 M118 Q119 | S112-A116 PolarHBondContact O-N 2.91Å; A113-A116 PolarHBondContact O-N 3.36Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.91Å; A116-M118 VanDerWaalsContact C-N 3.28Å; A116-M118 PolarHBondContact O-N 2.99Å; A116-Q119 WeakPolarHBondContact O-CB 3.15Å; A116-Q119 PolarHBondContact O-N 3.35Å |
| 117 | A | 91.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.008 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 V104 A113 M114 Q119 E120 F123 | L100-A117 HydrophobicContact CD1-CB 4.32Å; L100-A117 HydrophobicContact CD2-CB 4.04Å; L100-A117 HydrophobicContact CG-CB 4.05Å; V104-A117 HydrophobicContact CG2-CB 3.53Å; A113-A117 WeakPolarHBondContact O-CB 3.12Å; A113-A117 PolarHBondContact O-N 3.41Å; M114-A117 PolarHBondContact O-N 2.93Å; A117-Q119 PolarHBondContact O-N 3.42Å; A117-Q119 VanDerWaalsContact O-N 3.15Å; A117-E120 WeakPolarHBondContact O-CB 3.36Å; A117-E120 PolarHBondContact O-N 3.1Å; A117-F123 HydrophobicContact CB-CD1 3.92Å; A117-F123 HydrophobicContact CB-CD2 4.04Å; A117-F123 HydrophobicContact CB-CE1 3.93Å; A117-F123 HydrophobicContact CB-CE2 4.04Å; A117-F123 HydrophobicContact CB-CG 3.97Å; A117-F123 HydrophobicContact CB-CZ 3.99Å; A117-F123 VanDerWaalsContact O-CB 3.22Å; A117-F123 WeakPolarHBondContact O-CB 3.45Å; A117-F123 WeakPolarHBondContact O-CD1 3.37Å; A117-F123 WeakPolarHBondContact O-CG 3.47Å |
| 118 | M | 91.6 | Very high | 92.2 | Very high | 110 Ų | 110 | 80.9 Ų | 80.9 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.7 | 174.4 | -70.5 | -171 | 85.3 | 0 | 0 | 114.5 | M114 A116 F123 V124 | M114-M118 HydrophobicContact CG-CG 4.44Å; M114-M118 HydrophobicContact CG-SD 4.39Å; M114-M118 VanDerWaalsContact O-CG 3.29Å; M114-M118 WeakPolarHBondContact O-CG 3.21Å; M114-M118 PolarHBondContact O-N 2.97Å; M114-M118 HydrophobicContact SD-CG 4.35Å; A116-M118 VanDerWaalsContact C-N 3.28Å; A116-M118 PolarHBondContact O-N 2.99Å; M118-F123 HydrophobicContact CG-CD1 4.42Å; M118-F123 HydrophobicContact CG-CE1 4.23Å; M118-V124 VanDerWaalsContact O-CG2 3.29Å; M118-V124 WeakPolarHBondContact O-CG2 3.47Å |
| 119 | Q | 92.9 | Very high | 92.1 | Very high | 146 Ų | 146 | 74.1 Ų | 74.1 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -17.6 | 170.6 | -58 | -55.9 | -76.4 | 0 | 0 | 112.4 | A116 A117 | A116-Q119 WeakPolarHBondContact O-CB 3.15Å; A116-Q119 PolarHBondContact O-N 3.35Å; A117-Q119 PolarHBondContact O-N 3.42Å; A117-Q119 VanDerWaalsContact O-N 3.15Å |
| 120 | E | 93 | Very high | 92 | Very high | 75 Ų | 75 | 71.8 Ų | 71.8 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -83.6 | 120.4 | 180 | -65.2 | -61.9 | 144.5 | 0 | 0 | 110 | L100 A117 L122 F123 V124 | L100-E120 HydrophobicContact CD1-CG 4.2Å; L100-E120 HydrophobicContact CD2-CB 3.89Å; L100-E120 HydrophobicContact CD2-CG 3.98Å; A117-E120 WeakPolarHBondContact O-CB 3.36Å; A117-E120 PolarHBondContact O-N 3.1Å; E120-L122 PolarHBondContact O-N 3.11Å; E120-F123 HydrophobicContact CB-CB 4.14Å; E120-F123 WeakPolarHBondContact O-CB 3.39Å; E120-F123 PolarHBondContact O-N 3.18Å; E120-V124 PolarHBondContact O-N 3Å |
| 121 | P | 90.9 | Very high | 91.9 | Very high | 98 Ų | 98 | 68.9 Ų | 68.9 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.5 | -33 | -175.1 | 23.7 | -33.5 | 0 | 0 | 0 | 112.5 | F123 V124 E125 | P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.39Å; P121-V124 PolarHBondContact O-N 3.16Å; P121-E125 WeakPolarHBondContact O-CB 3.46Å; P121-E125 PolarHBondContact O-N 2.92Å |
| 122 | L | 89.1 | Confident | 91.8 | Very high | 56 Ų | 56 | 71.6 Ų | 71.6 | 29% | 0.293 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 176 | -70 | 172.8 | 0 | 0 | 0 | 112.8 | E120 F126 | E120-L122 PolarHBondContact O-N 3.11Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.1Å; L122-F126 VanDerWaalsContact O-N 3.13Å |
| 123 | F | 93.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 69.2 Ų | 69.2 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.1 | -39.8 | 178.1 | -173.3 | -97.1 | 0 | 0 | 0 | 111.6 | L97 L100 L101 M114 A117 M118 E120 P121 F126 A127 | L97-F123 HydrophobicContact CD1-CD2 4.43Å; L100-F123 HydrophobicContact CD2-CB 3.49Å; L100-F123 VanDerWaalsContact CD2-CB 3.49Å; L100-F123 HydrophobicContact CD2-CD2 3.6Å; L100-F123 HydrophobicContact CD2-CG 3.8Å; L100-F123 HydrophobicContact CG-CD2 4.29Å; L101-F123 HydrophobicContact CD2-CD2 4.4Å; L101-F123 HydrophobicContact CD2-CE2 3.77Å; M114-F123 HydrophobicContact CE-CZ 4.47Å; M114-F123 HydrophobicContact SD-CE1 3.79Å; M114-F123 HydrophobicContact SD-CZ 3.8Å; A117-F123 HydrophobicContact CB-CD1 3.92Å; A117-F123 HydrophobicContact CB-CD2 4.04Å; A117-F123 HydrophobicContact CB-CE1 3.93Å; A117-F123 HydrophobicContact CB-CE2 4.04Å; A117-F123 HydrophobicContact CB-CG 3.97Å; A117-F123 HydrophobicContact CB-CZ 3.99Å; A117-F123 VanDerWaalsContact O-CB 3.22Å; A117-F123 WeakPolarHBondContact O-CB 3.45Å; A117-F123 WeakPolarHBondContact O-CD1 3.37Å; A117-F123 WeakPolarHBondContact O-CG 3.47Å; M118-F123 HydrophobicContact CG-CD1 4.42Å; M118-F123 HydrophobicContact CG-CE1 4.23Å; E120-F123 HydrophobicContact CB-CB 4.14Å; E120-F123 WeakPolarHBondContact O-CB 3.39Å; E120-F123 PolarHBondContact O-N 3.18Å; P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.39Å; F123-F126 WeakPolarHBondContact O-CB 3.22Å; F123-F126 PolarHBondContact O-N 3.39Å; F123-A127 WeakPolarHBondContact O-CB 3.16Å; F123-A127 PolarHBondContact O-N 2.94Å |
| 124 | V | 93.3 | Very high | 91.2 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.5 | 178.7 | 0 | 0 | 0 | 0 | 110 | M118 E120 P121 F126 A127 D128 | M118-V124 VanDerWaalsContact O-CG2 3.29Å; M118-V124 WeakPolarHBondContact O-CG2 3.47Å; E120-V124 PolarHBondContact O-N 3Å; P121-V124 PolarHBondContact O-N 3.16Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.9Å; V124-A127 PolarHBondContact O-N 2.87Å; V124-D128 WeakPolarHBondContact O-CB 3.38Å; V124-D128 PolarHBondContact O-N 2.88Å |
| 125 | E | 92.1 | Very high | 90.6 | Very high | 92 Ų | 92 | 71.1 Ų | 71.1 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 175.7 | -173 | -178 | 171.6 | 0 | 0 | 111.9 | L91 P121 R129 | L91-E125 HydrophobicContact CD1-CG 4.47Å; L91-E125 HydrophobicContact CD2-CG 4.14Å; P121-E125 WeakPolarHBondContact O-CB 3.46Å; P121-E125 PolarHBondContact O-N 2.92Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 VanDerWaalsContact O-CG 3.23Å; E125-R129 WeakPolarHBondContact O-CG 2.99Å; E125-R129 PolarHBondContact O-N 2.94Å; E125-R129 VanDerWaalsContact O-N 3.07Å |
| 126 | F | 93.1 | Very high | 89.4 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.4 | 170.3 | -99.2 | 0 | 0 | 0 | 112.2 | L88 L92 L97 L101 L122 F123 V124 R129 C130 | L88-F126 HydrophobicContact CD2-CD2 3.94Å; L88-F126 HydrophobicContact CD2-CE2 4.04Å; L92-F126 HydrophobicContact CD1-CE2 4.43Å; L92-F126 HydrophobicContact CD2-CD2 4.5Å; L92-F126 HydrophobicContact CD2-CE2 3.93Å; L92-F126 HydrophobicContact CG-CE2 4.14Å; L97-F126 HydrophobicContact CD1-CB 3.98Å; L97-F126 HydrophobicContact CD1-CG 4.33Å; L97-F126 HydrophobicContact CD2-CB 3.98Å; L97-F126 HydrophobicContact CD2-CD2 3.97Å; L97-F126 HydrophobicContact CD2-CG 4.09Å; L101-F126 HydrophobicContact CD1-CE1 4.18Å; L101-F126 HydrophobicContact CD1-CE2 4.5Å; L101-F126 HydrophobicContact CD1-CZ 4.08Å; L101-F126 HydrophobicContact CD2-CD1 4.14Å; L101-F126 HydrophobicContact CD2-CE1 3.6Å; L101-F126 HydrophobicContact CD2-CZ 4.22Å; L101-F126 HydrophobicContact CG-CE1 4.47Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.1Å; L122-F126 VanDerWaalsContact O-N 3.13Å; F123-F126 WeakPolarHBondContact O-CB 3.22Å; F123-F126 PolarHBondContact O-N 3.39Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.9Å; F126-R129 PolarHBondContact O-N 3.19Å; F126-C130 WeakPolarHBondContact CZ-SG 3.14Å; F126-C130 PolarHBondContact O-N 3.1Å; F126-C130 PolarHBondContact O-SG 2.86Å |
| 127 | A | 92.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F123 V124 R129 C130 L131 | F123-A127 WeakPolarHBondContact O-CB 3.16Å; F123-A127 PolarHBondContact O-N 2.94Å; V124-A127 PolarHBondContact O-N 2.87Å; A127-R129 VanDerWaalsContact C-N 3.28Å; A127-R129 PolarHBondContact O-N 2.79Å; A127-C130 WeakPolarHBondContact O-CB 3.2Å; A127-C130 PolarHBondContact O-N 3.45Å; A127-C130 VanDerWaalsContact O-N 3.15Å; A127-L131 WeakPolarHBondContact O-CG 3.38Å; A127-L131 PolarHBondContact O-N 3.46Å |
| 128 | D | 90.9 | Very high | 85.8 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 176.4 | -77.2 | -2.6 | 0 | 0 | 0 | 111.5 | V124 L131 K132 | V124-D128 WeakPolarHBondContact O-CB 3.38Å; V124-D128 PolarHBondContact O-N 2.88Å; D128-L131 PolarHBondContact O-N 2.95Å; D128-K132 WeakPolarHBondContact O-CB 3.43Å; D128-K132 PolarHBondContact O-N 3.42Å |
| 129 | R | 89.1 | Confident | 83.8 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 26% | 0.26 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 175.7 | -70.2 | -60.9 | -169.9 | 153.4 | 10.9 | 112.5 | E87 L88 L91 E125 F126 A127 V133 | E87-R129 IonicContact OE1-CZ 3.18Å; E87-R129 IonicContact OE1-NH1 2.9Å; E87-R129 PolarHBondContact OE1-NH1 3.24Å; E87-R129 IonicContact OE1-NH2 2.88Å; E87-R129 PolarHBondContact OE1-NH2 3.13Å; E87-R129 IonicContact OE2-CZ 3.59Å; E87-R129 IonicContact OE2-NH1 2.74Å; E87-R129 PolarHBondContact OE2-NH1 3.5Å; L88-R129 HydrophobicContact CD2-CB 3.48Å; L88-R129 VanDerWaalsContact CD2-CB 3.48Å; L88-R129 HydrophobicContact CG-CB 4.14Å; L91-R129 HydrophobicContact CD1-CB 4.31Å; L91-R129 HydrophobicContact CD1-CG 3.89Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 VanDerWaalsContact O-CG 3.23Å; E125-R129 WeakPolarHBondContact O-CG 2.99Å; E125-R129 PolarHBondContact O-N 2.94Å; E125-R129 VanDerWaalsContact O-N 3.07Å; F126-R129 PolarHBondContact O-N 3.19Å; A127-R129 VanDerWaalsContact C-N 3.28Å; A127-R129 PolarHBondContact O-N 2.79Å; R129-V133 WeakPolarHBondContact O-CG2 3.48Å; R129-V133 PolarHBondContact O-N 3.47Å |
| 130 | C | 90.1 | Very high | 81.6 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172.7 | -70.2 | 0 | 0 | 0 | 0 | 111.2 | L82 F126 A127 K132 V133 V134 | L82-C130 HydrophobicContact CD2-CB 3.66Å; L82-C130 WeakPolarHBondContact CD2-SG 3.27Å; F126-C130 WeakPolarHBondContact CZ-SG 3.14Å; F126-C130 PolarHBondContact O-N 3.1Å; F126-C130 PolarHBondContact O-SG 2.86Å; A127-C130 WeakPolarHBondContact O-CB 3.2Å; A127-C130 PolarHBondContact O-N 3.45Å; A127-C130 VanDerWaalsContact O-N 3.15Å; C130-K132 PolarHBondContact O-N 3.24Å; C130-V133 PolarHBondContact O-N 2.79Å; C130-V134 WeakPolarHBondContact O-CB 3.29Å; C130-V134 VanDerWaalsContact O-CG2 3.31Å; C130-V134 WeakPolarHBondContact O-CG2 3.47Å; C130-V134 PolarHBondContact O-N 2.82Å |
| 131 | L | 89.6 | Confident | 79.4 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.2 | -69.7 | 173.5 | 0 | 0 | 0 | 111.1 | A127 D128 V133 V134 E135 | A127-L131 WeakPolarHBondContact O-CG 3.38Å; A127-L131 PolarHBondContact O-N 3.46Å; D128-L131 PolarHBondContact O-N 2.95Å; L131-V133 VanDerWaalsContact C-N 3.27Å; L131-V133 PolarHBondContact O-N 3.44Å; L131-V134 CarbonylContact O-C 3.44Å; L131-V134 PolarHBondContact O-N 3.33Å; L131-E135 VanDerWaalsContact O-CB 3.27Å; L131-E135 WeakPolarHBondContact O-CB 3.46Å; L131-E135 VanDerWaalsContact O-CG 3.29Å; L131-E135 WeakPolarHBondContact O-CG 3.4Å; L131-E135 PolarHBondContact O-N 3.02Å |
| 132 | K | 88.3 | Confident | 77.1 | Confident | 137 Ų | 137 | 71.9 Ų | 71.9 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.9 | -37.4 | 177.5 | -171.3 | 175.7 | -177.7 | 179.8 | 0 | 113.6 | D128 C130 G136 | D128-K132 WeakPolarHBondContact O-CB 3.43Å; D128-K132 PolarHBondContact O-N 3.42Å; C130-K132 PolarHBondContact O-N 3.24Å; K132-G136 WeakPolarHBondContact O-CA 3.48Å; K132-G136 PolarHBondContact O-N 3.27Å |
| 133 | V | 88.1 | Confident | 74.9 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -73.8 | -40.6 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L81 L82 L88 R129 C130 L131 | L81-V133 HydrophobicContact CB-CG1 3.72Å; L82-V133 HydrophobicContact CG-CG1 4.41Å; L88-V133 HydrophobicContact CD1-CG2 4.06Å; R129-V133 WeakPolarHBondContact O-CG2 3.48Å; R129-V133 PolarHBondContact O-N 3.47Å; C130-V133 PolarHBondContact O-N 2.79Å; L131-V133 VanDerWaalsContact C-N 3.27Å; L131-V133 PolarHBondContact O-N 3.44Å |
| 134 | V | 85 | Confident | 72.6 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 12% | 0.121 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80.3 | -13.4 | -178 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | V74 R78 L82 C130 L131 | V74-V134 HydrophobicContact CB-CG1 4.33Å; V74-V134 HydrophobicContact CG1-CB 4.49Å; V74-V134 HydrophobicContact CG1-CG1 3.58Å; V74-V134 HydrophobicContact CG1-CG2 3.98Å; V74-V134 HydrophobicContact CG2-CG1 3.81Å; R78-V134 PolarHBondContact NE-O 3.29Å; R78-V134 VanDerWaalsContact NE-O 3.14Å; R78-V134 PolarHBondContact NH1-O 3.48Å; R78-V134 PolarHBondContact NH2-O 3.26Å; L82-V134 HydrophobicContact CD1-CG2 3.74Å; L82-V134 HydrophobicContact CG-CG2 4.39Å; C130-V134 WeakPolarHBondContact O-CB 3.29Å; C130-V134 VanDerWaalsContact O-CG2 3.31Å; C130-V134 WeakPolarHBondContact O-CG2 3.47Å; C130-V134 PolarHBondContact O-N 2.82Å; L131-V134 CarbonylContact O-C 3.44Å; L131-V134 PolarHBondContact O-N 3.33Å |
| 135 | E | 81.7 | Confident | 69.9 | Low | 121 Ų | 121 | 87.4 Ų | 87.4 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -109.3 | -23.4 | 177.4 | -65 | 174.7 | 154 | 0 | 0 | 111.4 | L131 E137 | L131-E135 VanDerWaalsContact O-CB 3.27Å; L131-E135 WeakPolarHBondContact O-CB 3.46Å; L131-E135 VanDerWaalsContact O-CG 3.29Å; L131-E135 WeakPolarHBondContact O-CG 3.4Å; L131-E135 PolarHBondContact O-N 3.02Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.01Å |
| 136 | G | 67.6 | Low | 68.8 | Low | 44 Ų | 44 | 87.2 Ų | 87.2 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | K132 | K132-G136 WeakPolarHBondContact O-CA 3.48Å; K132-G136 PolarHBondContact O-N 3.27Å |
| 137 | E | 56.5 | Low | 67.5 | Low | 98 Ų | 98 | 90.1 Ų | 90.1 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -17 | -177.2 | -83.1 | 162.3 | 68.3 | 0 | 0 | 114.6 | L81 E135 | L81-E137 VanDerWaalsContact CD1-CD 3.48Å; L81-E137 WeakPolarHBondContact CD1-OE1 3.36Å; L81-E137 WeakPolarHBondContact CD1-OE2 3.48Å; L81-E137 WeakPolarHBondContact CD2-OE1 3.44Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.01Å |
| 138 | D | 53.1 | Low | 66.1 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -29.6 | 175.6 | -31.4 | -66.6 | 0 | 0 | 0 | 112.3 | R78 A140 L141 | R78-D138 IonicContact CZ-OD1 3.02Å; R78-D138 IonicContact CZ-OD2 3.56Å; R78-D138 IonicContact NH1-OD1 2.63Å; R78-D138 IonicContact NH1-OD2 3.53Å; R78-D138 PolarHBondContact NH1-OD2 3.2Å; R78-D138 IonicContact NH2-OD1 2.65Å; R78-D138 PolarHBondContact NH2-OD1 3.44Å; R78-D138 IonicContact NH2-OD2 3.24Å; R78-D138 PolarHBondContact NH2-OD2 3.48Å; D138-A140 PolarHBondContact O-N 2.92Å; D138-L141 PolarHBondContact O-N 2.97Å |
| 139 | N | 49.8 | Very low | 64.6 | Low | 109 Ų | 109 | 93 Ų | 93 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.6 | -177.4 | -161.8 | 25.1 | 0 | 0 | 0 | 113.5 | S142 | N139-S142 PolarHBondContact OD1-OG 3.42Š|
| 140 | A | 46.4 | Very low | 63.1 | Low | 74 Ų | 74 | 94.5 Ų | 94.5 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | D138 | D138-A140 PolarHBondContact O-N 2.92Š|
| 141 | L | 45.6 | Very low | 61.3 | Low | 156 Ų | 156 | 99.5 Ų | 99.5 | 82% | 0.817 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -104.9 | -5 | 177.3 | -94.1 | 87.2 | 0 | 0 | 0 | 114.4 | D138 | D138-L141 PolarHBondContact O-N 2.97Š|
| 142 | S | 44.5 | Very low | 59.3 | Low | 83 Ų | 83 | 100.7 Ų | 100.7 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -104.2 | 2 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 115.2 | N139 | N139-S142 PolarHBondContact OD1-OG 3.42Š|
| 143 | S | 43.1 | Very low | 57.1 | Low | 98 Ų | 98 | 97.9 Ų | 97.9 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -110.2 | 48.2 | 174.5 | -69.5 | 0 | 0 | 0 | 0 | 112 | ||
| 144 | S | 45.1 | Very low | 54.5 | Low | 109 Ų | 109 | 103.9 Ų | 103.9 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | trans | -145.7 | 68.3 | 168.5 | -59.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 145 | D | 35.6 | Very low | 51.7 | Low | 240 Ų | 240 | 111.5 Ų | 111.5 | 100% | 1.283 | 66% | 0.664 | S | S | * | * | trans | -149.9 | 0 | 145 | -155 | -104.2 | 0 | 0 | 0 | 109 |
Retrieved 145 of 145 residues in 141.3 ms
(Link to these results)