| 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 | 43.7 | Very low | 52.8 | Low | 205 Ų | 205 | 135.4 Ų | 135.4 | 100% | 1.01 | 67% | 0.665 | S | S | * | * | 0 | 65.1 | 0 | -172.3 | 175.1 | 172.1 | 0 | 0 | 109.6 | |||||
| 2 | F | 41.8 | Very low | 54.7 | Low | 180 Ų | 180 | 132.8 Ų | 132.8 | 79% | 0.789 | 65% | 0.65 | S | S | * | * | trans | -128.2 | -8.8 | -172.8 | -65 | -73.6 | 0 | 0 | 0 | 114.2 | T4 | F2-T4 VanDerWaalsContact C-N 3.34Å; F2-T4 PolarHBondContact O-N 3.14Å | ||
| 3 | F | 46.7 | Very low | 56.6 | Low | 191 Ų | 191 | 133.7 Ų | 133.7 | 84% | 0.838 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.7 | -11.8 | -177.1 | -126.7 | -92.5 | 0 | 0 | 0 | 114.1 | ||
| 4 | T | 47 | Very low | 58.6 | Low | 97 Ų | 97 | 131.6 Ų | 131.6 | 60% | 0.595 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -84 | -23 | 179.1 | 55.4 | 0 | 0 | 0 | 0 | 113 | F2 K8 | F2-T4 VanDerWaalsContact C-N 3.34Å; F2-T4 PolarHBondContact O-N 3.14Å; T4-K8 WeakPolarHBondContact O-CB 3.27Å; T4-K8 PolarHBondContact O-N 3.46Å; T4-K8 VanDerWaalsContact O-N 3.09Å |
| 5 | I | 51.4 | Low | 60.3 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 53% | 0.528 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77 | -40.7 | -179.3 | -72.3 | 150.1 | 0 | 0 | 0 | 111 | K8 N9 | I5-K8 WeakPolarHBondContact O-CB 2.91Å; I5-K8 PolarHBondContact O-N 2.86Å; I5-N9 PolarHBondContact O-N 2.75Å; I5-N9 PolarHBondContact O-ND2 3.24Å; I5-N9 VanDerWaalsContact O-ND2 3.14Å |
| 6 | S | 44.9 | Very low | 61.8 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.6 | -39.3 | 175.9 | -165.2 | 0 | 0 | 0 | 0 | 112.4 | K8 N9 M10 | S6-K8 PolarHBondContact O-N 3.42Å; S6-N9 PolarHBondContact O-N 3.19Å; S6-M10 PolarHBondContact O-N 3.35Å |
| 7 | R | 50.8 | Low | 63.4 | Low | 198 Ų | 198 | 125.4 Ų | 125.4 | 75% | 0.747 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.3 | -34.7 | 171.4 | -169 | 177 | -177.7 | -161.2 | 0.6 | 111.7 | M10 S11 | R7-M10 PolarHBondContact O-N 3.24Å; R7-S11 WeakPolarHBondContact O-CB 3.2Å; R7-S11 PolarHBondContact O-N 3.46Å |
| 8 | K | 56.8 | Low | 64.8 | Low | 137 Ų | 137 | 124.4 Ų | 124.4 | 60% | 0.596 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.7 | -41.9 | 176.1 | -151 | 167.3 | 77.4 | 167.7 | 0 | 111.1 | T4 I5 S6 Q12 | T4-K8 WeakPolarHBondContact O-CB 3.27Å; T4-K8 PolarHBondContact O-N 3.46Å; T4-K8 VanDerWaalsContact O-N 3.09Å; I5-K8 WeakPolarHBondContact O-CB 2.91Å; I5-K8 PolarHBondContact O-N 2.86Å; S6-K8 PolarHBondContact O-N 3.42Å; K8-Q12 WeakPolarHBondContact O-CA 3.41Å; K8-Q12 WeakPolarHBondContact O-CB 3.39Å; K8-Q12 PolarHBondContact O-N 3.18Å |
| 9 | N | 67.3 | Low | 66.1 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 45% | 0.449 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.7 | -41.9 | 176.8 | -59.1 | -45 | 0 | 0 | 0 | 112.7 | I5 S6 K13 | I5-N9 PolarHBondContact O-N 2.75Å; I5-N9 PolarHBondContact O-ND2 3.24Å; I5-N9 VanDerWaalsContact O-ND2 3.14Å; S6-N9 PolarHBondContact O-N 3.19Å; N9-K13 VanDerWaalsContact O-CB 3.27Å; N9-K13 WeakPolarHBondContact O-CB 3.17Å; N9-K13 WeakPolarHBondContact O-CG 3.07Å; N9-K13 PolarHBondContact O-N 2.85Å |
| 10 | M | 60.9 | Low | 67.3 | Low | 143 Ų | 143 | 121.2 Ų | 121.2 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.9 | -41.5 | 179.7 | -130.9 | 63.5 | 137.5 | 0 | 0 | 112.1 | S6 R7 K13 L14 | S6-M10 PolarHBondContact O-N 3.35Å; R7-M10 PolarHBondContact O-N 3.24Å; M10-K13 PolarHBondContact O-N 2.84Å; M10-L14 VanDerWaalsContact O-CB 3.25Å; M10-L14 WeakPolarHBondContact O-CB 3.43Å; M10-L14 PolarHBondContact O-N 3.09Å |
| 11 | S | 68.9 | Low | 68.4 | Low | 72 Ų | 72 | 121.2 Ų | 121.2 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.2 | -34.5 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | R7 S15 | R7-S11 WeakPolarHBondContact O-CB 3.2Å; R7-S11 PolarHBondContact O-N 3.46Å; S11-S15 WeakPolarHBondContact O-CB 3.31Å; S11-S15 PolarHBondContact O-N 3Å |
| 12 | Q | 76 | Confident | 70.6 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 49% | 0.486 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.3 | -40.6 | 176.1 | -176.8 | 176.2 | -28.8 | 0 | 0 | 110.3 | K8 S15 L16 | K8-Q12 WeakPolarHBondContact O-CA 3.41Å; K8-Q12 WeakPolarHBondContact O-CB 3.39Å; K8-Q12 PolarHBondContact O-N 3.18Å; Q12-S15 PolarHBondContact O-N 3.33Å; Q12-L16 WeakPolarHBondContact O-CB 3.29Å; Q12-L16 PolarHBondContact O-N 3.38Å |
| 13 | K | 79.3 | Confident | 72.9 | Confident | 145 Ų | 145 | 109.6 Ų | 109.6 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.5 | -40.2 | 171.7 | -77.5 | -173.4 | 175.4 | -163.9 | 0 | 112.2 | N9 M10 L16 L17 | N9-K13 VanDerWaalsContact O-CB 3.27Å; N9-K13 WeakPolarHBondContact O-CB 3.17Å; N9-K13 WeakPolarHBondContact O-CG 3.07Å; N9-K13 PolarHBondContact O-N 2.85Å; M10-K13 PolarHBondContact O-N 2.84Å; K13-L16 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-CB 3.29Å; K13-L17 WeakPolarHBondContact O-CB 3.25Å; K13-L17 PolarHBondContact O-N 3.32Å |
| 14 | L | 85.4 | Confident | 74.8 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.5 | -168.8 | 69.5 | 0 | 0 | 0 | 111.3 | M10 L17 L18 | M10-L14 VanDerWaalsContact O-CB 3.25Å; M10-L14 WeakPolarHBondContact O-CB 3.43Å; M10-L14 PolarHBondContact O-N 3.09Å; L14-L17 WeakPolarHBondContact O-CB 3.11Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-L18 HydrophobicContact CG-CD1 4.06Å; L14-L18 WeakPolarHBondContact O-CB 3.23Å; L14-L18 WeakPolarHBondContact O-CD1 3.36Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 2.81Å |
| 15 | S | 83.1 | Confident | 76.7 | Confident | 72 Ų | 72 | 107.1 Ų | 107.1 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | S11 Q12 L18 L19 | S11-S15 WeakPolarHBondContact O-CB 3.31Å; S11-S15 PolarHBondContact O-N 3Å; Q12-S15 PolarHBondContact O-N 3.33Å; S15-L18 PolarHBondContact O-N 2.83Å; S15-L19 VanDerWaalsContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CB 3.17Å; S15-L19 PolarHBondContact O-N 2.92Å |
| 16 | L | 84.8 | Confident | 78.5 | Confident | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.1 | -122.9 | 122 | 0 | 0 | 0 | 111.4 | Q12 K13 L19 V20 | Q12-L16 WeakPolarHBondContact O-CB 3.29Å; Q12-L16 PolarHBondContact O-N 3.38Å; K13-L16 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 2.82Å; L16-V20 WeakPolarHBondContact O-CB 3.43Å; L16-V20 VanDerWaalsContact O-CG2 3.23Å; L16-V20 WeakPolarHBondContact O-CG2 3.27Å; L16-V20 PolarHBondContact O-N 2.81Å |
| 17 | L | 89.1 | Confident | 80.4 | Confident | 114 Ų | 114 | 105 Ų | 105 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 174.7 | -97.7 | 163.9 | 0 | 0 | 0 | 111.5 | K13 L14 V20 F21 | K13-L17 VanDerWaalsContact O-CB 3.29Å; K13-L17 WeakPolarHBondContact O-CB 3.25Å; K13-L17 PolarHBondContact O-N 3.32Å; L14-L17 WeakPolarHBondContact O-CB 3.11Å; L14-L17 PolarHBondContact O-N 3.4Å; L17-V20 PolarHBondContact O-N 2.97Å; L17-F21 WeakPolarHBondContact O-CB 3.49Å; L17-F21 PolarHBondContact O-N 3.19Å |
| 18 | L | 87.9 | Confident | 81.8 | Confident | 109 Ų | 109 | 101.3 Ų | 101.3 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 177.4 | -78.6 | 160.5 | 0 | 0 | 0 | 111.8 | L14 S15 G22 | L14-L18 HydrophobicContact CG-CD1 4.06Å; L14-L18 WeakPolarHBondContact O-CB 3.23Å; L14-L18 WeakPolarHBondContact O-CD1 3.36Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 2.81Å; S15-L18 PolarHBondContact O-N 2.83Å; L18-G22 PolarHBondContact O-N 3.05Å |
| 19 | L | 90.5 | Very high | 83.1 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -46.9 | 175.8 | -168.3 | 87.4 | 0 | 0 | 0 | 110.7 | S15 L16 G22 L23 | S15-L19 VanDerWaalsContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CB 3.17Å; S15-L19 PolarHBondContact O-N 2.92Å; L16-L19 PolarHBondContact O-N 2.82Å; L19-G22 PolarHBondContact O-N 2.8Å; L19-L23 WeakPolarHBondContact O-CB 3.04Å; L19-L23 PolarHBondContact O-N 2.82Å |
| 20 | V | 89 | Confident | 83.6 | Confident | 70 Ų | 70 | 100.5 Ų | 100.5 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L16 L17 G22 L23 I24 | L16-V20 WeakPolarHBondContact O-CB 3.43Å; L16-V20 VanDerWaalsContact O-CG2 3.23Å; L16-V20 WeakPolarHBondContact O-CG2 3.27Å; L16-V20 PolarHBondContact O-N 2.81Å; L17-V20 PolarHBondContact O-N 2.97Å; V20-G22 PolarHBondContact O-N 3.28Å; V20-L23 CarbonylContact O-C 3.5Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 2.81Å; V20-L23 VanDerWaalsContact O-N 3.17Å; V20-I24 HydrophobicContact CG1-CD1 3.66Å; V20-I24 WeakPolarHBondContact O-CD1 3.18Å; V20-I24 PolarHBondContact O-N 3.17Å |
| 21 | F | 91.6 | Very high | 83.9 | Confident | 122 Ų | 122 | 98.6 Ų | 98.6 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.6 | -170.6 | -99.6 | 0 | 0 | 0 | 111.3 | L17 L23 I24 W25 | L17-F21 WeakPolarHBondContact O-CB 3.49Å; L17-F21 PolarHBondContact O-N 3.19Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.29Å; F21-I24 PolarHBondContact O-N 3.46Å; F21-W25 AromaticContact CD1-CD1 3.48Å; F21-W25 VanDerWaalsContact CD1-CD1 3.48Å; F21-W25 HydrophobicContact CD1-CG 4.39Å; F21-W25 AromaticContact CD1-NE1 3.83Å; F21-W25 AromaticContact CD2-CD1 3.92Å; F21-W25 AromaticContact CD2-NE1 3.96Å; F21-W25 AromaticContact CE1-CD1 3.29Å; F21-W25 AromaticContact CE1-CE2 4Å; F21-W25 HydrophobicContact CE1-CG 4.19Å; F21-W25 AromaticContact CE1-NE1 3.15Å; F21-W25 AromaticContact CE2-CD1 3.75Å; F21-W25 AromaticContact CE2-NE1 3.31Å; F21-W25 VanDerWaalsContact CE2-NE1 3.31Å; F21-W25 AromaticContact CG-CD1 3.82Å; F21-W25 AromaticContact CZ-CD1 3.47Å; F21-W25 VanDerWaalsContact CZ-CD1 3.47Å; F21-W25 AromaticContact CZ-CE2 3.81Å; F21-W25 HydrophobicContact CZ-CZ2 4.39Å; F21-W25 AromaticContact CZ-NE1 2.88Å; F21-W25 WeakPolarHBondContact O-CB 3.33Å; F21-W25 VanDerWaalsContact O-CD1 3.24Å; F21-W25 PolarHBondContact O-N 3.48Å |
| 22 | G | 89.3 | Confident | 83.4 | Confident | 42 Ų | 42 | 103.3 Ų | 103.3 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 L19 V20 G26 | L18-G22 PolarHBondContact O-N 3.05Å; L19-G22 PolarHBondContact O-N 2.8Å; V20-G22 PolarHBondContact O-N 3.28Å; G22-G26 WeakPolarHBondContact O-CA 3.41Å; G22-G26 PolarHBondContact O-N 2.93Å |
| 23 | L | 89.3 | Confident | 82.9 | Confident | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 172.1 | -102.5 | 153.8 | 0 | 0 | 0 | 112.1 | L19 V20 F21 G26 L27 | L19-L23 WeakPolarHBondContact O-CB 3.04Å; L19-L23 PolarHBondContact O-N 2.82Å; V20-L23 CarbonylContact O-C 3.5Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 2.81Å; V20-L23 VanDerWaalsContact O-N 3.17Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.29Å; L23-G26 PolarHBondContact O-N 3.46Å; L23-L27 HydrophobicContact CD2-CD1 4.21Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 WeakPolarHBondContact O-CD1 3.35Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.77Å |
| 24 | I | 88.6 | Confident | 81.7 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 176.3 | -88.3 | 75.2 | 0 | 0 | 0 | 110.1 | V20 F21 M28 | V20-I24 HydrophobicContact CG1-CD1 3.66Å; V20-I24 WeakPolarHBondContact O-CD1 3.18Å; V20-I24 PolarHBondContact O-N 3.17Å; F21-I24 PolarHBondContact O-N 3.46Å; I24-M28 WeakPolarHBondContact O-CA 3.36Å; I24-M28 WeakPolarHBondContact O-CB 3.12Å; I24-M28 PolarHBondContact O-N 2.89Å |
| 25 | W | 85.6 | Confident | 80 | Confident | 146 Ų | 146 | 102.1 Ų | 102.1 | 55% | 0.553 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -40.4 | 177.9 | -88.2 | 83.3 | 0 | 0 | 0 | 112.2 | F21 M28 L29 | F21-W25 AromaticContact CD1-CD1 3.48Å; F21-W25 VanDerWaalsContact CD1-CD1 3.48Å; F21-W25 HydrophobicContact CD1-CG 4.39Å; F21-W25 AromaticContact CD1-NE1 3.83Å; F21-W25 AromaticContact CD2-CD1 3.92Å; F21-W25 AromaticContact CD2-NE1 3.96Å; F21-W25 AromaticContact CE1-CD1 3.29Å; F21-W25 AromaticContact CE1-CE2 4Å; F21-W25 HydrophobicContact CE1-CG 4.19Å; F21-W25 AromaticContact CE1-NE1 3.15Å; F21-W25 AromaticContact CE2-CD1 3.75Å; F21-W25 AromaticContact CE2-NE1 3.31Å; F21-W25 VanDerWaalsContact CE2-NE1 3.31Å; F21-W25 AromaticContact CG-CD1 3.82Å; F21-W25 AromaticContact CZ-CD1 3.47Å; F21-W25 VanDerWaalsContact CZ-CD1 3.47Å; F21-W25 AromaticContact CZ-CE2 3.81Å; F21-W25 HydrophobicContact CZ-CZ2 4.39Å; F21-W25 AromaticContact CZ-NE1 2.88Å; F21-W25 WeakPolarHBondContact O-CB 3.33Å; F21-W25 VanDerWaalsContact O-CD1 3.24Å; F21-W25 PolarHBondContact O-N 3.48Å; W25-M28 PolarHBondContact O-N 3.49Å; W25-L29 WeakPolarHBondContact O-CB 2.9Å; W25-L29 PolarHBondContact O-N 2.96Å |
| 26 | G | 89.6 | Confident | 78.1 | Confident | 37 Ų | 37 | 105.3 Ų | 105.3 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G22 L23 L30 | G22-G26 WeakPolarHBondContact O-CA 3.41Å; G22-G26 PolarHBondContact O-N 2.93Å; L23-G26 PolarHBondContact O-N 3.46Å; G26-L30 WeakPolarHBondContact O-CA 3.37Å; G26-L30 WeakPolarHBondContact O-CB 3.06Å; G26-L30 PolarHBondContact O-N 2.8Å |
| 27 | L | 84.5 | Confident | 76.3 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 173 | -81.6 | 159.2 | 0 | 0 | 0 | 111.3 | L23 L30 H31 | L23-L27 HydrophobicContact CD2-CD1 4.21Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 WeakPolarHBondContact O-CD1 3.35Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.77Å; L27-L30 PolarHBondContact O-N 3.47Å; L27-H31 WeakPolarHBondContact O-CA 3Å; L27-H31 WeakPolarHBondContact O-CB 3.21Å; L27-H31 PolarHBondContact O-N 2.8Å |
| 28 | M | 81 | Confident | 74 | Confident | 119 Ų | 119 | 110.5 Ų | 110.5 | 59% | 0.586 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.9 | -38.8 | 179.4 | -172 | 152.7 | 132 | 0 | 0 | 111.3 | I24 W25 Y32 | I24-M28 WeakPolarHBondContact O-CA 3.36Å; I24-M28 WeakPolarHBondContact O-CB 3.12Å; I24-M28 PolarHBondContact O-N 2.89Å; W25-M28 PolarHBondContact O-N 3.49Å; M28-Y32 WeakPolarHBondContact O-CB 3.45Å; M28-Y32 PolarHBondContact O-N 3.34Å |
| 29 | L | 82.4 | Confident | 71.9 | Confident | 115 Ų | 115 | 112 Ų | 112 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73 | -38.4 | 174.1 | -168.7 | 69.4 | 0 | 0 | 0 | 112 | W25 Y32 T33 | W25-L29 WeakPolarHBondContact O-CB 2.9Å; W25-L29 PolarHBondContact O-N 2.96Å; L29-Y32 PolarHBondContact O-N 3.35Å; L29-T33 WeakPolarHBondContact O-CB 3.42Å; L29-T33 PolarHBondContact O-N 3.34Å; L29-T33 PolarHBondContact O-OG1 2.97Å; L29-T33 VanDerWaalsContact O-OG1 3.13Å |
| 30 | L | 79.4 | Confident | 69.4 | Low | 89 Ų | 89 | 114.7 Ų | 114.7 | 47% | 0.466 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.5 | -42.9 | 174.3 | -176 | 66.3 | 0 | 0 | 0 | 110.7 | G26 L27 Y32 T33 F34 | G26-L30 WeakPolarHBondContact O-CA 3.37Å; G26-L30 WeakPolarHBondContact O-CB 3.06Å; G26-L30 PolarHBondContact O-N 2.8Å; L27-L30 PolarHBondContact O-N 3.47Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 2.75Å; L30-T33 PolarHBondContact O-N 2.8Å; L30-F34 HydrophobicContact CD1-CD2 3.81Å; L30-F34 HydrophobicContact CD1-CE2 3.8Å; L30-F34 HydrophobicContact CG-CD2 3.99Å; L30-F34 HydrophobicContact CG-CE2 4.28Å; L30-F34 WeakPolarHBondContact O-CB 2.86Å; L30-F34 WeakPolarHBondContact O-CD2 3.37Å; L30-F34 PolarHBondContact O-N 3.47Å |
| 31 | H | 67 | Low | 67.2 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -40.2 | 173.6 | -178.8 | -98.3 | 0 | 0 | 0 | 110 | L27 F34 Q35 | L27-H31 WeakPolarHBondContact O-CA 3Å; L27-H31 WeakPolarHBondContact O-CB 3.21Å; L27-H31 PolarHBondContact O-N 2.8Å; H31-F34 CarbonylContact O-C 3.24Å; H31-F34 PolarHBondContact O-N 2.97Å; H31-Q35 PolarHBondContact CD2-NE2 3.25Å; H31-Q35 PolarHBondContact CE1-NE2 2.87Å; H31-Q35 PolarHBondContact CE1-OE1 3.35Å; H31-Q35 VanDerWaalsContact ND1-CD 3.29Å; H31-Q35 PolarHBondContact ND1-NE2 3.05Å; H31-Q35 PolarHBondContact ND1-OE1 3.03Å; H31-Q35 PolarHBondContact NE2-NE2 3.39Å; H31-Q35 WeakPolarHBondContact O-CA 3.2Å; H31-Q35 WeakPolarHBondContact O-CB 3.5Å; H31-Q35 WeakPolarHBondContact O-CG 3.39Å; H31-Q35 PolarHBondContact O-N 3.42Å; H31-Q35 PolarHBondContact O-NE2 3.14Å |
| 32 | Y | 58.5 | Low | 64.9 | Low | 171 Ų | 171 | 111.2 Ų | 111.2 | 67% | 0.671 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.6 | -40.1 | 174.2 | -173.3 | -101.3 | 0 | 0 | 0 | 112.7 | M28 L29 L30 Q35 Q36 | M28-Y32 WeakPolarHBondContact O-CB 3.45Å; M28-Y32 PolarHBondContact O-N 3.34Å; L29-Y32 PolarHBondContact O-N 3.35Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 2.75Å; Y32-Q35 CarbonylContact O-C 3.6Å; Y32-Q35 VanDerWaalsContact O-C 3.24Å; Y32-Q35 WeakPolarHBondContact O-CA 3.03Å; Y32-Q35 PolarHBondContact O-N 3.48Å; Y32-Q35 VanDerWaalsContact O-N 3.16Å; Y32-Q36 PolarHBondContact O-N 3.43Å; Y32-Q36 VanDerWaalsContact O-N 3.09Å |
| 33 | T | 64.9 | Low | 62.8 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 47% | 0.466 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.2 | -42.6 | 173.1 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | L29 L30 Q35 Q36 | L29-T33 WeakPolarHBondContact O-CB 3.42Å; L29-T33 PolarHBondContact O-N 3.34Å; L29-T33 PolarHBondContact O-OG1 2.97Å; L29-T33 VanDerWaalsContact O-OG1 3.13Å; L30-T33 PolarHBondContact O-N 2.8Å; T33-Q35 PolarHBondContact O-N 2.91Å; T33-Q36 PolarHBondContact O-N 2.99Å |
| 34 | F | 54.6 | Low | 60.4 | Low | 161 Ų | 161 | 118.5 Ų | 118.5 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.1 | -15.7 | 171.9 | -91.1 | -89.2 | 0 | 0 | 0 | 112.9 | L30 H31 | L30-F34 HydrophobicContact CD1-CD2 3.81Å; L30-F34 HydrophobicContact CD1-CE2 3.8Å; L30-F34 HydrophobicContact CG-CD2 3.99Å; L30-F34 HydrophobicContact CG-CE2 4.28Å; L30-F34 WeakPolarHBondContact O-CB 2.86Å; L30-F34 WeakPolarHBondContact O-CD2 3.37Å; L30-F34 PolarHBondContact O-N 3.47Å; H31-F34 CarbonylContact O-C 3.24Å; H31-F34 PolarHBondContact O-N 2.97Å |
| 35 | Q | 49.4 | Very low | 58.3 | Low | 90 Ų | 90 | 118.5 Ų | 118.5 | 42% | 0.421 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.9 | 18.1 | 173 | -83.6 | 154.4 | 50.2 | 0 | 0 | 114.5 | H31 Y32 T33 | H31-Q35 PolarHBondContact CD2-NE2 3.25Å; H31-Q35 PolarHBondContact CE1-NE2 2.87Å; H31-Q35 PolarHBondContact CE1-OE1 3.35Å; H31-Q35 VanDerWaalsContact ND1-CD 3.29Å; H31-Q35 PolarHBondContact ND1-NE2 3.05Å; H31-Q35 PolarHBondContact ND1-OE1 3.03Å; H31-Q35 PolarHBondContact NE2-NE2 3.39Å; H31-Q35 WeakPolarHBondContact O-CA 3.2Å; H31-Q35 WeakPolarHBondContact O-CB 3.5Å; H31-Q35 WeakPolarHBondContact O-CG 3.39Å; H31-Q35 PolarHBondContact O-N 3.42Å; H31-Q35 PolarHBondContact O-NE2 3.14Å; Y32-Q35 CarbonylContact O-C 3.6Å; Y32-Q35 VanDerWaalsContact O-C 3.24Å; Y32-Q35 WeakPolarHBondContact O-CA 3.03Å; Y32-Q35 PolarHBondContact O-N 3.48Å; Y32-Q35 VanDerWaalsContact O-N 3.16Å; T33-Q35 PolarHBondContact O-N 2.91Å |
| 36 | Q | 42.4 | Very low | 56.4 | Low | 139 Ų | 139 | 119.1 Ų | 119.1 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -54 | 135.9 | 144.6 | -74.2 | 174.4 | -8.2 | 0 | 0 | 108.2 | Y32 T33 R38 | Y32-Q36 PolarHBondContact O-N 3.43Å; Y32-Q36 VanDerWaalsContact O-N 3.09Å; T33-Q36 PolarHBondContact O-N 2.99Å; Q36-R38 PolarHBondContact O-N 2.69Å |
| 37 | P | 47.1 | Very low | 54.2 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 60% | 0.602 | S | S | * | * | S | Bend | -71.3 | 82.7 | -126.9 | 31.4 | -37.9 | 0 | 0 | 0 | 113.4 | H39 | P37-H39 VanDerWaalsContact C-N 3.32Å; P37-H39 PolarHBondContact O-N 2.78Å | |
| 38 | R | 41.4 | Very low | 52.2 | Low | 220 Ų | 220 | 126.8 Ų | 126.8 | 83% | 0.83 | 61% | 0.609 | S | S | * | * | trans | -95.6 | 71.9 | 158.6 | -88.2 | -74.2 | 178.3 | 102.5 | -3.5 | 108.8 | Q36 Q40 | Q36-R38 PolarHBondContact O-N 2.69Å; R38-Q40 PolarHBondContact O-N 3.46Å | ||
| 39 | H | 43.6 | Very low | 50.8 | Low | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | trans | -27.9 | 115.7 | 176.2 | -75.2 | -25.6 | 0 | 0 | 0 | 114.9 | P37 S41 S42 | P37-H39 VanDerWaalsContact C-N 3.32Å; P37-H39 PolarHBondContact O-N 2.78Å; H39-S41 PolarHBondContact O-N 2.75Å; H39-S42 WeakPolarHBondContact O-CB 3.25Å; H39-S42 PolarHBondContact O-N 3.05Å; H39-S42 VanDerWaalsContact O-N 3.14Å | ||
| 40 | Q | 38.8 | Very low | 49.4 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 0.2 | 161.5 | -68.7 | -156.1 | -17.1 | 0 | 0 | 114.1 | R38 S42 | R38-Q40 PolarHBondContact O-N 3.46Å; Q40-S42 PolarHBondContact O-N 2.84Å |
| 41 | S | 42.2 | Very low | 47.9 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 52% | 0.517 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.2 | -15.2 | 164.7 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | H39 L45 | H39-S41 PolarHBondContact O-N 2.75Å; S41-L45 VanDerWaalsContact O-CD1 3.25Å; S41-L45 WeakPolarHBondContact O-CD1 3.12Å |
| 42 | S | 43.6 | Very low | 47 | Very low | 46 Ų | 46 | 127.6 Ų | 127.6 | 32% | 0.322 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78 | -21.6 | -169.6 | -148.6 | 0 | 0 | 0 | 0 | 115.2 | H39 Q40 R46 | H39-S42 WeakPolarHBondContact O-CB 3.25Å; H39-S42 PolarHBondContact O-N 3.05Å; H39-S42 VanDerWaalsContact O-N 3.14Å; Q40-S42 PolarHBondContact O-N 2.84Å; S42-R46 WeakPolarHBondContact O-CB 3.46Å; S42-R46 WeakPolarHBondContact O-CD 3.27Å; S42-R46 WeakPolarHBondContact O-CG 3.22Å; S42-R46 PolarHBondContact O-N 3.37Å; S42-R46 PolarHBondContact OG-NE 2.8Å |
| 43 | V | 45.4 | Very low | 46.7 | Very low | 111 Ų | 111 | 122 Ų | 122 | 67% | 0.673 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.3 | -39.7 | -174.9 | -174 | 0 | 0 | 0 | 0 | 112.4 | ||
| 44 | K | 37.8 | Very low | 46 | Very low | 182 Ų | 182 | 126 Ų | 126 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.5 | -29.2 | 176.2 | -83.3 | -178.5 | 174.6 | 175.8 | 0 | 113.6 | ||
| 45 | L | 45.4 | Very low | 45.9 | Very low | 90 Ų | 90 | 127 Ų | 127 | 47% | 0.471 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -80.2 | -22.9 | 171.5 | -81.8 | 90.5 | 0 | 0 | 0 | 113.2 | S41 Q48 I49 | S41-L45 VanDerWaalsContact O-CD1 3.25Å; S41-L45 WeakPolarHBondContact O-CD1 3.12Å; L45-Q48 PolarHBondContact O-N 3.36Å; L45-I49 WeakPolarHBondContact O-CB 3.33Å; L45-I49 WeakPolarHBondContact O-CD1 3.06Å; L45-I49 PolarHBondContact O-N 3.31Å |
| 46 | R | 45.1 | Very low | 45.7 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 60% | 0.6 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.6 | -35.3 | 176.4 | -86 | 167.1 | -175.8 | -107.9 | -4.2 | 113.5 | S42 I49 L50 | S42-R46 WeakPolarHBondContact O-CB 3.46Å; S42-R46 WeakPolarHBondContact O-CD 3.27Å; S42-R46 WeakPolarHBondContact O-CG 3.22Å; S42-R46 PolarHBondContact O-N 3.37Å; S42-R46 PolarHBondContact OG-NE 2.8Å; R46-I49 PolarHBondContact O-N 2.76Å; R46-L50 WeakPolarHBondContact O-CB 3.45Å; R46-L50 PolarHBondContact O-N 3.03Å |
| 47 | E | 43.8 | Very low | 46.1 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 72% | 0.724 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -36.3 | 174.9 | -76.1 | -162.9 | 163 | 0 | 0 | 112.1 | L50 D51 | E47-L50 PolarHBondContact O-N 3.29Å; E47-D51 PolarHBondContact O-N 3.48Å |
| 48 | Q | 42.9 | Very low | 46.3 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.2 | -31 | 174.4 | -70.8 | -173.2 | -31.8 | 0 | 0 | 112.9 | L45 L52 | L45-Q48 PolarHBondContact O-N 3.36Å; Q48-L52 WeakPolarHBondContact O-CB 3.35Å; Q48-L52 PolarHBondContact O-N 3.25Å |
| 49 | I | 51.7 | Low | 46.8 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 54% | 0.538 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.1 | -29.7 | 171.4 | -94.5 | 76.5 | 0 | 0 | 0 | 112 | L45 R46 S53 | L45-I49 WeakPolarHBondContact O-CB 3.33Å; L45-I49 WeakPolarHBondContact O-CD1 3.06Å; L45-I49 PolarHBondContact O-N 3.31Å; R46-I49 PolarHBondContact O-N 2.76Å; I49-S53 WeakPolarHBondContact O-CA 2.94Å; I49-S53 WeakPolarHBondContact O-CB 3.46Å; I49-S53 PolarHBondContact O-N 2.84Å |
| 50 | L | 52.5 | Low | 47 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.2 | -38.7 | -176.3 | -169.1 | 67.7 | 0 | 0 | 0 | 112.9 | R46 E47 K54 | R46-L50 WeakPolarHBondContact O-CB 3.45Å; R46-L50 PolarHBondContact O-N 3.03Å; E47-L50 PolarHBondContact O-N 3.29Å; L50-K54 PolarHBondContact O-N 3.29Å |
| 51 | D | 46.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 116 Ų | 116 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.5 | -37 | 174.1 | -171 | 41.1 | 0 | 0 | 0 | 111.7 | E47 K54 R55 | E47-D51 PolarHBondContact O-N 3.48Å; D51-K54 PolarHBondContact O-N 2.91Å; D51-R55 PolarHBondContact O-N 2.83Å |
| 52 | L | 49.7 | Very low | 48 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.8 | -37.2 | 175.4 | -160.7 | 64.4 | 0 | 0 | 0 | 111.9 | Q48 R55 Y56 | Q48-L52 WeakPolarHBondContact O-CB 3.35Å; Q48-L52 PolarHBondContact O-N 3.25Å; L52-R55 PolarHBondContact O-N 2.85Å; L52-Y56 WeakPolarHBondContact O-CB 3.41Å; L52-Y56 PolarHBondContact O-N 2.76Å |
| 53 | S | 51.9 | Low | 48.2 | Very low | 55 Ų | 55 | 124 Ų | 124 | 39% | 0.385 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 173.9 | 168.8 | 0 | 0 | 0 | 0 | 112.8 | I49 R55 Y56 V57 | I49-S53 WeakPolarHBondContact O-CA 2.94Å; I49-S53 WeakPolarHBondContact O-CB 3.46Å; I49-S53 PolarHBondContact O-N 2.84Å; S53-R55 VanDerWaalsContact C-N 3.33Å; S53-R55 PolarHBondContact O-N 3.24Å; S53-Y56 PolarHBondContact O-N 3.48Å; S53-V57 WeakPolarHBondContact O-CB 3.35Å; S53-V57 VanDerWaalsContact O-CG2 3.31Å; S53-V57 WeakPolarHBondContact O-CG2 3.47Å; S53-V57 PolarHBondContact O-N 3.28Å |
| 54 | K | 49.4 | Very low | 48.2 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.7 | -34.8 | 177.5 | -104.7 | -176.7 | 179.2 | -179.5 | 0 | 112.8 | L50 D51 K58 | L50-K54 PolarHBondContact O-N 3.29Å; D51-K54 PolarHBondContact O-N 2.91Å; K54-K58 VanDerWaalsContact O-CB 3.27Å; K54-K58 WeakPolarHBondContact O-CB 3.38Å; K54-K58 PolarHBondContact O-N 3.41Å |
| 55 | R | 52.6 | Low | 48.6 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.5 | -33.2 | 174.6 | -67.8 | -173.7 | -172.6 | -158.6 | 1.6 | 112.3 | D51 L52 S53 A59 | D51-R55 PolarHBondContact O-N 2.83Å; L52-R55 PolarHBondContact O-N 2.85Å; S53-R55 VanDerWaalsContact C-N 3.33Å; S53-R55 PolarHBondContact O-N 3.24Å; R55-A59 WeakPolarHBondContact O-CB 3.37Å; R55-A59 PolarHBondContact O-N 2.84Å |
| 56 | Y | 45.8 | Very low | 48.5 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 62% | 0.624 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.4 | -39.8 | 177.8 | -145.1 | -100.1 | 0 | 0 | 0 | 112.5 | L52 S53 K58 A59 L60 | L52-Y56 WeakPolarHBondContact O-CB 3.41Å; L52-Y56 PolarHBondContact O-N 2.76Å; S53-Y56 PolarHBondContact O-N 3.48Å; Y56-K58 VanDerWaalsContact C-N 3.34Å; Y56-A59 PolarHBondContact O-N 3.34Å; Y56-L60 HydrophobicContact CD1-CD1 3.37Å; Y56-L60 HydrophobicContact CE1-CD1 3.31Å; Y56-L60 HydrophobicContact CG-CD1 4.26Å; Y56-L60 WeakPolarHBondContact O-CB 3.31Å; Y56-L60 WeakPolarHBondContact O-CD1 3.4Å; Y56-L60 PolarHBondContact O-N 3.09Å |
| 57 | V | 51 | Low | 48.5 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69 | -34 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | S53 L60 A61 | S53-V57 WeakPolarHBondContact O-CB 3.35Å; S53-V57 VanDerWaalsContact O-CG2 3.31Å; S53-V57 WeakPolarHBondContact O-CG2 3.47Å; S53-V57 PolarHBondContact O-N 3.28Å; V57-L60 PolarHBondContact O-N 3.5Å; V57-A61 WeakPolarHBondContact O-CB 3.38Å; V57-A61 PolarHBondContact O-N 3.4Å |
| 58 | K | 50.9 | Low | 48.7 | Very low | 159 Ų | 159 | 122 Ų | 122 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.9 | -32.1 | 174.2 | -165.2 | 174.5 | -173.8 | -175.7 | 0 | 112.2 | K54 Y56 | K54-K58 VanDerWaalsContact O-CB 3.27Å; K54-K58 WeakPolarHBondContact O-CB 3.38Å; K54-K58 PolarHBondContact O-N 3.41Å; Y56-K58 VanDerWaalsContact C-N 3.34Å |
| 59 | A | 50.9 | Low | 48.9 | Very low | 60 Ų | 60 | 122.4 Ų | 122.4 | 50% | 0.496 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -76.6 | -36.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R55 Y56 E63 | R55-A59 WeakPolarHBondContact O-CB 3.37Å; R55-A59 PolarHBondContact O-N 2.84Å; Y56-A59 PolarHBondContact O-N 3.34Å; A59-E63 PolarHBondContact O-N 3.13Å |
| 60 | L | 49.4 | Very low | 48.6 | Very low | 90 Ų | 90 | 124 Ų | 124 | 47% | 0.471 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.4 | -34.9 | -179.7 | -108.2 | 85.1 | 0 | 0 | 0 | 114 | Y56 V57 E62 E63 N64 | Y56-L60 HydrophobicContact CD1-CD1 3.37Å; Y56-L60 HydrophobicContact CE1-CD1 3.31Å; Y56-L60 HydrophobicContact CG-CD1 4.26Å; Y56-L60 WeakPolarHBondContact O-CB 3.31Å; Y56-L60 WeakPolarHBondContact O-CD1 3.4Å; Y56-L60 PolarHBondContact O-N 3.09Å; V57-L60 PolarHBondContact O-N 3.5Å; L60-E62 VanDerWaalsContact C-N 3.25Å; L60-E62 PolarHBondContact O-N 3.16Å; L60-E63 PolarHBondContact O-N 2.8Å; L60-N64 PolarHBondContact O-N 3.45Å |
| 61 | A | 50.5 | Low | 48.3 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.3 | -22.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V57 | V57-A61 WeakPolarHBondContact O-CB 3.38Å; V57-A61 PolarHBondContact O-N 3.4Å |
| 62 | E | 50.3 | Low | 48.3 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.2 | -20 | 176.9 | -159.3 | 149.7 | 179.9 | 0 | 0 | 112.2 | L60 | L60-E62 VanDerWaalsContact C-N 3.25Å; L60-E62 PolarHBondContact O-N 3.16Å |
| 63 | E | 48.1 | Very low | 48.1 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 56% | 0.561 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -87.5 | -34.7 | 174.7 | -173.8 | -168.4 | 152.4 | 0 | 0 | 113.9 | A59 L60 K65 N66 | A59-E63 PolarHBondContact O-N 3.13Å; L60-E63 PolarHBondContact O-N 2.8Å; E63-K65 PolarHBondContact O-N 3.45Å; E63-N66 PolarHBondContact O-N 3.41Å |
| 64 | N | 45.1 | Very low | 48 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 58% | 0.583 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -3.2 | -170.4 | -166.8 | -96 | 0 | 0 | 0 | 115.4 | L60 N66 V68 | L60-N64 PolarHBondContact O-N 3.45Å; N64-N66 VanDerWaalsContact C-N 3.34Å; N64-V68 WeakPolarHBondContact O-CG2 3.38Å |
| 65 | K | 46 | Very low | 48 | Very low | 199 Ų | 199 | 124.6 Ų | 124.6 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -9.3 | 176.3 | -164.8 | 170.2 | 159.2 | 72.6 | 0 | 113.7 | E63 | E63-K65 PolarHBondContact O-N 3.45Š|
| 66 | N | 43.9 | Very low | 47.9 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -124 | -7.3 | -170.6 | -160.7 | 39.3 | 0 | 0 | 0 | 116.7 | E63 N64 | E63-N66 PolarHBondContact O-N 3.41Å; N64-N66 VanDerWaalsContact C-N 3.34Å |
| 67 | T | 44.9 | Very low | 48.2 | Very low | 83 Ų | 83 | 120 Ų | 120 | 51% | 0.509 | 69% | 0.685 | S | S | . | * | trans | -133 | 19.1 | -167.2 | 56.3 | 0 | 0 | 0 | 0 | 116.2 | D69 | T67-D69 PolarHBondContact O-N 3Š| ||
| 68 | V | 48.9 | Very low | 48.3 | Very low | 116 Ų | 116 | 118 Ų | 118 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 28.2 | -177.4 | 170 | 0 | 0 | 0 | 0 | 115 | N64 | N64-V68 WeakPolarHBondContact O-CG2 3.38Š|
| 69 | D | 45.7 | Very low | 48.2 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -2.2 | -167.9 | -119.5 | -46.4 | 0 | 0 | 0 | 118.4 | T67 | T67-D69 PolarHBondContact O-N 3Š|
| 70 | V | 47.3 | Very low | 48.3 | Very low | 139 Ų | 139 | 119.3 Ų | 119.3 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -124.5 | -24.3 | -163.8 | -173.8 | 0 | 0 | 0 | 0 | 119.3 | ||
| 71 | E | 45.9 | Very low | 48.3 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | -131.8 | 35.4 | -159 | -149.1 | -171.2 | 137.4 | 0 | 0 | 117.8 | ||||
| 72 | N | 46.8 | Very low | 48.6 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 94% | 0.936 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -92.5 | 11.6 | 178.6 | -87.7 | -9.5 | 0 | 0 | 0 | 115.6 | ||
| 73 | G | 45.9 | Very low | 48.8 | Very low | 74 Ų | 74 | 120.3 Ų | 120.3 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -94.6 | -22.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 74 | A | 48.2 | Very low | 49.3 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 60% | 0.603 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -99.5 | -21.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M76 | A74-M76 PolarHBondContact O-N 3.45Š|
| 75 | S | 49.4 | Very low | 50 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.7 | -11.6 | -174.3 | -56.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 76 | M | 51.7 | Low | 50.8 | Low | 167 Ų | 167 | 116.6 Ų | 116.6 | 82% | 0.823 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.2 | -22.4 | -177.1 | -158.1 | 140.8 | 157.8 | 0 | 0 | 113.1 | A74 | A74-M76 PolarHBondContact O-N 3.45Å |
| 77 | A | 51.2 | Low | 52 | Low | 74 Ų | 74 | 112.2 Ų | 112.2 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -79.5 | -36.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y79 A80 D81 | A77-Y79 VanDerWaalsContact C-N 3.32Å; A77-Y79 PolarHBondContact O-N 2.98Å; A77-A80 PolarHBondContact O-N 3.33Å; A77-D81 PolarHBondContact O-N 3.08Å |
| 78 | G | 52.7 | Low | 53 | Low | 49 Ų | 49 | 112.7 Ų | 112.7 | 51% | 0.505 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.5 | -27 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L82 | G78-L82 WeakPolarHBondContact O-CB 3.49Å; G78-L82 PolarHBondContact O-N 2.82Å; G78-L82 VanDerWaalsContact O-N 3.11Å |
| 79 | Y | 48.5 | Very low | 54.2 | Low | 184 Ų | 184 | 112.1 Ų | 112.1 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.6 | -32 | 174.8 | -102 | -89.3 | 0 | 0 | 0 | 112.9 | A77 K83 | A77-Y79 VanDerWaalsContact C-N 3.32Å; A77-Y79 PolarHBondContact O-N 2.98Å; Y79-K83 VanDerWaalsContact O-CB 3.31Å; Y79-K83 WeakPolarHBondContact O-CB 3.46Å; Y79-K83 PolarHBondContact O-N 3.19Å |
| 80 | A | 55 | Low | 55.3 | Low | 63 Ų | 63 | 110 Ų | 110 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.3 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A77 K83 R84 | A77-A80 PolarHBondContact O-N 3.33Å; A80-K83 PolarHBondContact O-N 3.09Å; A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.29Å |
| 81 | D | 48.8 | Very low | 56.1 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.2 | -39.3 | 178.5 | -149.2 | 27.8 | 0 | 0 | 0 | 111.3 | A77 K83 R84 T85 | A77-D81 PolarHBondContact O-N 3.08Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 2.96Å; D81-R84 CarbonylContact O-C 3.59Å; D81-R84 WeakPolarHBondContact O-CA 3.45Å; D81-R84 WeakPolarHBondContact O-CB 3.21Å; D81-R84 PolarHBondContact O-N 2.76Å; D81-R84 VanDerWaalsContact O-N 3.08Å; D81-T85 PolarHBondContact O-N 3.26Å; D81-T85 PolarHBondContact O-OG1 3.39Å |
| 82 | L | 56.7 | Low | 56.9 | Low | 96 Ų | 96 | 103.5 Ų | 103.5 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.4 | -43.1 | 171 | -177.9 | 62.1 | 0 | 0 | 0 | 111.8 | G78 R84 T85 I86 | G78-L82 WeakPolarHBondContact O-CB 3.49Å; G78-L82 PolarHBondContact O-N 2.82Å; G78-L82 VanDerWaalsContact O-N 3.11Å; L82-R84 VanDerWaalsContact C-N 3.28Å; L82-R84 PolarHBondContact O-N 3.41Å; L82-T85 PolarHBondContact O-N 2.86Å; L82-I86 HydrophobicContact CD1-CD1 4.15Å; L82-I86 HydrophobicContact CD1-CG1 4.45Å; L82-I86 HydrophobicContact CG-CD1 3.92Å; L82-I86 WeakPolarHBondContact O-CB 3.19Å; L82-I86 WeakPolarHBondContact O-CD1 3.47Å; L82-I86 WeakPolarHBondContact O-CG1 3.5Å; L82-I86 PolarHBondContact O-N 3.15Å |
| 83 | K | 53.8 | Low | 57.8 | Low | 162 Ų | 162 | 100.1 Ų | 100.1 | 70% | 0.704 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -35.6 | 175.9 | -166.8 | 179.6 | -179.4 | -169.3 | 0 | 111.6 | Y79 A80 D81 A87 | Y79-K83 VanDerWaalsContact O-CB 3.31Å; Y79-K83 WeakPolarHBondContact O-CB 3.46Å; Y79-K83 PolarHBondContact O-N 3.19Å; A80-K83 PolarHBondContact O-N 3.09Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 2.96Å; K83-A87 WeakPolarHBondContact O-CB 3.5Å; K83-A87 PolarHBondContact O-N 3.24Å; K83-A87 VanDerWaalsContact O-N 3.09Å |
| 84 | R | 58.1 | Low | 58.6 | Low | 178 Ų | 178 | 101 Ų | 101 | 67% | 0.672 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -43.3 | 175.5 | -167.1 | 176.4 | -178.5 | -148.7 | 0.9 | 111.8 | A80 D81 L82 I86 A87 V88 | A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.29Å; D81-R84 CarbonylContact O-C 3.59Å; D81-R84 WeakPolarHBondContact O-CA 3.45Å; D81-R84 WeakPolarHBondContact O-CB 3.21Å; D81-R84 PolarHBondContact O-N 2.76Å; D81-R84 VanDerWaalsContact O-N 3.08Å; L82-R84 VanDerWaalsContact C-N 3.28Å; L82-R84 PolarHBondContact O-N 3.41Å; R84-I86 VanDerWaalsContact C-N 3.35Å; R84-I86 PolarHBondContact O-N 2.94Å; R84-A87 PolarHBondContact O-N 3.43Å; R84-V88 VanDerWaalsContact O-CG2 3.29Å; R84-V88 WeakPolarHBondContact O-CG2 3.31Å; R84-V88 PolarHBondContact O-N 3.16Å |
| 85 | T | 61.2 | Low | 59 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -40.3 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | D81 L82 V88 L89 | D81-T85 PolarHBondContact O-N 3.26Å; D81-T85 PolarHBondContact O-OG1 3.39Å; L82-T85 PolarHBondContact O-N 2.86Å; T85-V88 PolarHBondContact O-N 2.98Å; T85-L89 HydrophobicContact CG2-CD1 4.03Å; T85-L89 WeakPolarHBondContact O-CB 3.38Å; T85-L89 WeakPolarHBondContact O-CG 3.44Å; T85-L89 PolarHBondContact O-N 3.06Å |
| 86 | I | 62.7 | Low | 59.5 | Low | 99 Ų | 99 | 106.3 Ų | 106.3 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -43.2 | 177 | -68.7 | 165.6 | 0 | 0 | 0 | 111.2 | L82 R84 V88 L89 L90 | L82-I86 HydrophobicContact CD1-CD1 4.15Å; L82-I86 HydrophobicContact CD1-CG1 4.45Å; L82-I86 HydrophobicContact CG-CD1 3.92Å; L82-I86 WeakPolarHBondContact O-CB 3.19Å; L82-I86 WeakPolarHBondContact O-CD1 3.47Å; L82-I86 WeakPolarHBondContact O-CG1 3.5Å; L82-I86 PolarHBondContact O-N 3.15Å; R84-I86 VanDerWaalsContact C-N 3.35Å; R84-I86 PolarHBondContact O-N 2.94Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.26Å; I86-L89 PolarHBondContact O-N 2.91Å; I86-L90 WeakPolarHBondContact O-CB 3.35Å; I86-L90 PolarHBondContact O-N 3.37Å |
| 87 | A | 68.4 | Low | 59.8 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K83 R84 L90 D91 | K83-A87 WeakPolarHBondContact O-CB 3.5Å; K83-A87 PolarHBondContact O-N 3.24Å; K83-A87 VanDerWaalsContact O-N 3.09Å; R84-A87 PolarHBondContact O-N 3.43Å; A87-L90 PolarHBondContact O-N 3.13Å; A87-D91 PolarHBondContact O-N 3.35Å; A87-D91 VanDerWaalsContact O-N 3.08Å |
| 88 | V | 66.5 | Low | 60.1 | Low | 93 Ų | 93 | 103.8 Ų | 103.8 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.5 | -39.5 | 178.2 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | R84 T85 I86 L90 D91 D92 | R84-V88 VanDerWaalsContact O-CG2 3.29Å; R84-V88 WeakPolarHBondContact O-CG2 3.31Å; R84-V88 PolarHBondContact O-N 3.16Å; T85-V88 PolarHBondContact O-N 2.98Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.26Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-D91 PolarHBondContact O-N 3.41Å; V88-D92 PolarHBondContact O-N 3.39Å; V88-D92 VanDerWaalsContact O-N 3.1Å |
| 89 | L | 73.4 | Confident | 60.2 | Low | 103 Ų | 103 | 109.3 Ų | 109.3 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 175.5 | -75.4 | 165.5 | 0 | 0 | 0 | 112.4 | T85 I86 I93 | T85-L89 HydrophobicContact CG2-CD1 4.03Å; T85-L89 WeakPolarHBondContact O-CB 3.38Å; T85-L89 WeakPolarHBondContact O-CG 3.44Å; T85-L89 PolarHBondContact O-N 3.06Å; I86-L89 PolarHBondContact O-N 2.91Å; L89-I93 VanDerWaalsContact O-CG1 3.31Å; L89-I93 WeakPolarHBondContact O-CG1 3.17Å; L89-I93 PolarHBondContact O-N 2.91Å |
| 90 | L | 68.1 | Low | 60.6 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 176.5 | -158.3 | 88 | 0 | 0 | 0 | 111.4 | I86 A87 V88 I93 L94 | I86-L90 WeakPolarHBondContact O-CB 3.35Å; I86-L90 PolarHBondContact O-N 3.37Å; A87-L90 PolarHBondContact O-N 3.13Å; V88-L90 VanDerWaalsContact C-N 3.34Å; L90-I93 PolarHBondContact O-N 3.36Å; L90-L94 HydrophobicContact CD2-CD1 4.1Å; L90-L94 HydrophobicContact CG-CD1 4.16Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 VanDerWaalsContact O-CG 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.26Å; L90-L94 PolarHBondContact O-N 2.87Å |
| 91 | D | 64.9 | Low | 60.6 | Low | 86 Ų | 86 | 108.6 Ų | 108.6 | 46% | 0.46 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 178.7 | -172.6 | 47.4 | 0 | 0 | 0 | 112.2 | A87 V88 I93 L94 Q95 | A87-D91 PolarHBondContact O-N 3.35Å; A87-D91 VanDerWaalsContact O-N 3.08Å; V88-D91 PolarHBondContact O-N 3.41Å; D91-I93 VanDerWaalsContact C-N 3.31Å; D91-I93 PolarHBondContact O-N 2.76Å; D91-L94 PolarHBondContact O-N 3.43Å; D91-Q95 WeakPolarHBondContact O-CB 3.29Å; D91-Q95 WeakPolarHBondContact O-CG 3.48Å; D91-Q95 PolarHBondContact O-N 3.04Å; D91-Q95 PolarHBondContact OD1-NE2 2.94Å; D91-Q95 VanDerWaalsContact OD1-NE2 3.15Å; D91-Q95 PolarHBondContact OD2-NE2 3.04Å |
| 92 | D | 63.3 | Low | 60.9 | Low | 74 Ų | 74 | 109.7 Ų | 109.7 | 40% | 0.396 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 174.8 | -174.7 | 54.2 | 0 | 0 | 0 | 112.1 | V88 R96 | V88-D92 PolarHBondContact O-N 3.39Å; V88-D92 VanDerWaalsContact O-N 3.1Å; D92-R96 WeakPolarHBondContact O-CB 3.32Å; D92-R96 WeakPolarHBondContact O-CD 3.45Å; D92-R96 WeakPolarHBondContact O-CG 3.02Å; D92-R96 PolarHBondContact O-N 3.39Å; D92-R96 VanDerWaalsContact O-N 3.09Å; D92-R96 IonicContact OD1-NE 3.39Å; D92-R96 PolarHBondContact OD1-NE 3.09Å; D92-R96 IonicContact OD2-CZ 3.82Å; D92-R96 IonicContact OD2-NE 3.26Å; D92-R96 PolarHBondContact OD2-NE 3.39Å; D92-R96 IonicContact OD2-NH2 3.78Å |
| 93 | I | 66.2 | Low | 60.9 | Low | 103 Ų | 103 | 112 Ų | 112 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.8 | -41.1 | 176.5 | -67.1 | 169.8 | 0 | 0 | 0 | 111.3 | L89 L90 D91 R96 L97 | L89-I93 VanDerWaalsContact O-CG1 3.31Å; L89-I93 WeakPolarHBondContact O-CG1 3.17Å; L89-I93 PolarHBondContact O-N 2.91Å; L90-I93 PolarHBondContact O-N 3.36Å; D91-I93 VanDerWaalsContact C-N 3.31Å; D91-I93 PolarHBondContact O-N 2.76Å; I93-R96 PolarHBondContact O-N 3.21Å; I93-L97 HydrophobicContact CG2-CD1 4.21Å; I93-L97 WeakPolarHBondContact O-CB 3.37Å; I93-L97 PolarHBondContact O-N 3.39Å |
| 94 | L | 62.4 | Low | 61 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 177.5 | -73.2 | 170.7 | 0 | 0 | 0 | 112 | L90 D91 L97 V98 | L90-L94 HydrophobicContact CD2-CD1 4.1Å; L90-L94 HydrophobicContact CG-CD1 4.16Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 VanDerWaalsContact O-CG 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.26Å; L90-L94 PolarHBondContact O-N 2.87Å; D91-L94 PolarHBondContact O-N 3.43Å; L94-L97 WeakPolarHBondContact O-CB 3.48Å; L94-L97 PolarHBondContact O-N 3.03Å; L94-V98 WeakPolarHBondContact O-CG2 3.31Å; L94-V98 PolarHBondContact O-N 3.41Å |
| 95 | Q | 56.3 | Low | 60.7 | Low | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 174.6 | -75.5 | -179.9 | 31.7 | 0 | 0 | 112.3 | D91 L97 V98 K99 | D91-Q95 WeakPolarHBondContact O-CB 3.29Å; D91-Q95 WeakPolarHBondContact O-CG 3.48Å; D91-Q95 PolarHBondContact O-N 3.04Å; D91-Q95 PolarHBondContact OD1-NE2 2.94Å; D91-Q95 VanDerWaalsContact OD1-NE2 3.15Å; D91-Q95 PolarHBondContact OD2-NE2 3.04Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-V98 PolarHBondContact O-N 3.43Å; Q95-K99 VanDerWaalsContact O-CB 3.28Å; Q95-K99 WeakPolarHBondContact O-CB 3.47Å; Q95-K99 PolarHBondContact O-N 3.29Å |
| 96 | R | 58.8 | Low | 60.4 | Low | 159 Ų | 159 | 108.3 Ų | 108.3 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.6 | -35.1 | 173 | -76.4 | 171.9 | -175.5 | -124.5 | 2.9 | 112 | D92 I93 L100 | D92-R96 WeakPolarHBondContact O-CB 3.32Å; D92-R96 WeakPolarHBondContact O-CD 3.45Å; D92-R96 WeakPolarHBondContact O-CG 3.02Å; D92-R96 PolarHBondContact O-N 3.39Å; D92-R96 VanDerWaalsContact O-N 3.09Å; D92-R96 IonicContact OD1-NE 3.39Å; D92-R96 PolarHBondContact OD1-NE 3.09Å; D92-R96 IonicContact OD2-CZ 3.82Å; D92-R96 IonicContact OD2-NE 3.26Å; D92-R96 PolarHBondContact OD2-NE 3.39Å; D92-R96 IonicContact OD2-NH2 3.78Å; I93-R96 PolarHBondContact O-N 3.21Å; R96-L100 WeakPolarHBondContact O-CB 3.37Å; R96-L100 VanDerWaalsContact O-CD1 3.26Å; R96-L100 WeakPolarHBondContact O-CD1 3.39Å; R96-L100 PolarHBondContact O-N 3.11Å |
| 97 | L | 57.8 | Low | 60.1 | Low | 104 Ų | 104 | 108.8 Ų | 108.8 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 173.3 | -96.3 | 154.1 | 0 | 0 | 0 | 112.3 | I93 L94 Q95 K99 L100 E101 | I93-L97 HydrophobicContact CG2-CD1 4.21Å; I93-L97 WeakPolarHBondContact O-CB 3.37Å; I93-L97 PolarHBondContact O-N 3.39Å; L94-L97 WeakPolarHBondContact O-CB 3.48Å; L94-L97 PolarHBondContact O-N 3.03Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; L97-K99 VanDerWaalsContact C-N 3.33Å; L97-K99 PolarHBondContact O-N 2.83Å; L97-L100 WeakPolarHBondContact O-CB 3.29Å; L97-L100 PolarHBondContact O-N 3.08Å; L97-L100 VanDerWaalsContact O-N 3.16Å; L97-E101 PolarHBondContact O-N 3.48Å |
| 98 | V | 57.9 | Low | 59.6 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -36.5 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | L94 Q95 L100 E101 N102 | L94-V98 WeakPolarHBondContact O-CG2 3.31Å; L94-V98 PolarHBondContact O-N 3.41Å; Q95-V98 PolarHBondContact O-N 3.43Å; V98-L100 VanDerWaalsContact C-N 3.34Å; V98-E101 WeakPolarHBondContact O-CB 3.47Å; V98-E101 PolarHBondContact O-N 3.02Å; V98-N102 PolarHBondContact O-N 2.96Å; V98-N102 VanDerWaalsContact O-N 3.09Å |
| 99 | K | 55.5 | Low | 59.1 | Low | 165 Ų | 165 | 111.9 Ų | 111.9 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.9 | -27.2 | 175.5 | -160.1 | 173.5 | -176.8 | 175.9 | 0 | 112.6 | Q95 L97 | Q95-K99 VanDerWaalsContact O-CB 3.28Å; Q95-K99 WeakPolarHBondContact O-CB 3.47Å; Q95-K99 PolarHBondContact O-N 3.29Å; L97-K99 VanDerWaalsContact C-N 3.33Å; L97-K99 PolarHBondContact O-N 2.83Å |
| 100 | L | 56.8 | Low | 58 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.7 | -39 | 169.5 | -103.1 | 69.9 | 0 | 0 | 0 | 111.4 | R96 L97 V98 K103 V104 | R96-L100 WeakPolarHBondContact O-CB 3.37Å; R96-L100 VanDerWaalsContact O-CD1 3.26Å; R96-L100 WeakPolarHBondContact O-CD1 3.39Å; R96-L100 PolarHBondContact O-N 3.11Å; L97-L100 WeakPolarHBondContact O-CB 3.29Å; L97-L100 PolarHBondContact O-N 3.08Å; L97-L100 VanDerWaalsContact O-N 3.16Å; V98-L100 VanDerWaalsContact C-N 3.34Å; L100-K103 PolarHBondContact O-N 3.35Å; L100-K103 VanDerWaalsContact O-N 3.13Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.4Å |
| 101 | E | 54.4 | Low | 57.1 | Low | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.3 | -49.6 | 176.3 | -172.8 | 175.6 | -173.5 | 0 | 0 | 111.6 | L97 V98 K103 V104 D105 | L97-E101 PolarHBondContact O-N 3.48Å; V98-E101 WeakPolarHBondContact O-CB 3.47Å; V98-E101 PolarHBondContact O-N 3.02Å; E101-K103 PolarHBondContact O-N 3.45Å; E101-K103 VanDerWaalsContact O-N 3.15Å; E101-V104 PolarHBondContact O-N 3.33Å; E101-D105 PolarHBondContact O-N 3.06Å |
| 102 | N | 54.7 | Low | 56.6 | Low | 122 Ų | 122 | 108.2 Ų | 108.2 | 65% | 0.652 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -26.2 | 175.3 | -107.9 | 53.8 | 0 | 0 | 0 | 113.8 | V98 | V98-N102 PolarHBondContact O-N 2.96Å; V98-N102 VanDerWaalsContact O-N 3.09Å |
| 103 | K | 56.5 | Low | 56.1 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -84.1 | -28.8 | 177.8 | -139.6 | 174.1 | -173.6 | -69.3 | 0 | 111.7 | L100 E101 I107 | L100-K103 PolarHBondContact O-N 3.35Å; L100-K103 VanDerWaalsContact O-N 3.13Å; E101-K103 PolarHBondContact O-N 3.45Å; E101-K103 VanDerWaalsContact O-N 3.15Å; K103-I107 WeakPolarHBondContact O-CG1 3.28Å; K103-I107 PolarHBondContact O-N 3.41Å |
| 104 | V | 56.7 | Low | 55.3 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.8 | -42.3 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | L100 E101 Y106 I107 V108 | L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.4Å; E101-V104 PolarHBondContact O-N 3.33Å; V104-Y106 VanDerWaalsContact C-N 3.3Å; V104-Y106 PolarHBondContact O-N 3.41Å; V104-I107 CarbonylContact O-C 3.58Å; V104-I107 PolarHBondContact O-N 3.08Å; V104-V108 HydrophobicContact CG1-CG2 4.44Å; V104-V108 PolarHBondContact O-N 2.92Å |
| 105 | D | 52.9 | Low | 54.8 | Low | 94 Ų | 94 | 111.1 Ų | 111.1 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.6 | -36.8 | 175 | -90.1 | -19.6 | 0 | 0 | 0 | 112.4 | E101 I107 V108 V109 | E101-D105 PolarHBondContact O-N 3.06Å; D105-I107 VanDerWaalsContact C-N 3.3Å; D105-I107 PolarHBondContact O-N 3.45Å; D105-V108 PolarHBondContact O-N 3.33Å; D105-V109 WeakPolarHBondContact O-CB 3.35Å; D105-V109 WeakPolarHBondContact O-CG2 3.35Å; D105-V109 PolarHBondContact O-N 3.02Å |
| 106 | Y | 53.2 | Low | 54.6 | Low | 159 Ų | 159 | 111.6 Ų | 111.6 | 62% | 0.624 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.4 | -34.8 | 172.6 | -174.3 | -99.5 | 0 | 0 | 0 | 112.5 | V104 N110 | V104-Y106 VanDerWaalsContact C-N 3.3Å; V104-Y106 PolarHBondContact O-N 3.41Å; Y106-N110 WeakPolarHBondContact O-CB 3.28Å; Y106-N110 PolarHBondContact O-N 3.48Å |
| 107 | I | 57.2 | Low | 54.1 | Low | 109 Ų | 109 | 109.3 Ų | 109.3 | 56% | 0.559 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.4 | -35.3 | 177.1 | -67 | 168.6 | 0 | 0 | 0 | 111.4 | K103 V104 D105 G111 | K103-I107 WeakPolarHBondContact O-CG1 3.28Å; K103-I107 PolarHBondContact O-N 3.41Å; V104-I107 CarbonylContact O-C 3.58Å; V104-I107 PolarHBondContact O-N 3.08Å; D105-I107 VanDerWaalsContact C-N 3.3Å; D105-I107 PolarHBondContact O-N 3.45Å; I107-G111 WeakPolarHBondContact O-CA 3.41Å; I107-G111 PolarHBondContact O-N 3.36Å |
| 108 | V | 57.7 | Low | 53.6 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 60% | 0.6 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.1 | -40.5 | 175.6 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | V104 D105 | V104-V108 HydrophobicContact CG1-CG2 4.44Å; V104-V108 PolarHBondContact O-N 2.92Å; D105-V108 PolarHBondContact O-N 3.33Å |
| 109 | V | 55.4 | Low | 53.2 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.2 | -39.8 | 178.3 | 168.1 | 0 | 0 | 0 | 0 | 112.3 | D105 | D105-V109 WeakPolarHBondContact O-CB 3.35Å; D105-V109 WeakPolarHBondContact O-CG2 3.35Å; D105-V109 PolarHBondContact O-N 3.02Å |
| 110 | N | 51.6 | Low | 52.5 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 39% | 0.39 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -88.2 | -23.6 | -179.1 | -165.7 | 37.3 | 0 | 0 | 0 | 113.7 | Y106 S112 A113 | Y106-N110 WeakPolarHBondContact O-CB 3.28Å; Y106-N110 PolarHBondContact O-N 3.48Å; N110-S112 PolarHBondContact O-N 2.84Å; N110-A113 PolarHBondContact O-N 3.1Å |
| 111 | G | 49.2 | Very low | 52.4 | Low | 38 Ų | 38 | 110.8 Ų | 110.8 | 39% | 0.392 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -14.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I107 A113 | I107-G111 WeakPolarHBondContact O-CA 3.41Å; I107-G111 PolarHBondContact O-N 3.36Å; G111-A113 VanDerWaalsContact C-N 3.3Å |
| 112 | S | 54.2 | Low | 52.1 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -11.8 | 172.8 | -166.7 | 0 | 0 | 0 | 0 | 113.6 | N110 | N110-S112 PolarHBondContact O-N 2.84Š|
| 113 | A | 52.8 | Low | 51.4 | Low | 80 Ų | 80 | 109.7 Ų | 109.7 | 66% | 0.661 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -109.5 | -8.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N110 G111 | N110-A113 PolarHBondContact O-N 3.1Å; G111-A113 VanDerWaalsContact C-N 3.3Å |
| 114 | T | 48.5 | Very low | 50.9 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | trans | -109.8 | 9.5 | -170.4 | 62.2 | 0 | 0 | 0 | 0 | 116 | T116 | T114-T116 PolarHBondContact O-N 2.96Å; T114-T116 VanDerWaalsContact O-N 3.08Å | ||
| 115 | N | 52.6 | Low | 50.2 | Low | 155 Ų | 155 | 112.6 Ų | 112.6 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | trans | -85 | 62.9 | 168.2 | -78.7 | -21.6 | 0 | 0 | 0 | 111.4 | ||||
| 116 | T | 52.8 | Low | 49.9 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -156 | 114.6 | 158.3 | -71.2 | 0 | 0 | 0 | 0 | 105.8 | T114 | T114-T116 PolarHBondContact O-N 2.96Å; T114-T116 VanDerWaalsContact O-N 3.08Å | ||
| 117 | T | 47.7 | Very low | 49.4 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | trans | 164 | 104 | 145.3 | -70.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 118 | N | 47.6 | Very low | 49.3 | Very low | 158 Ų | 158 | 112.4 Ų | 112.4 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | 69.6 | 136.9 | 146.2 | -48.1 | -13.5 | 0 | 0 | 0 | 118.2 | ||||
| 119 | G | 48.9 | Very low | 48.8 | Very low | 70 Ų | 70 | 112.9 Ų | 112.9 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | 132.3 | 110.6 | 17.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 120 | T | 41.1 | Very low | 48.6 | Very low | 144 Ų | 144 | 115 Ų | 115 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | -145.5 | 106.3 | 161.8 | -66.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 121 | S | 54.2 | Low | 48.2 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | trans | -44.7 | 130.5 | 158.3 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 122 | G | 49.5 | Very low | 48.3 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | 163.3 | 108 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 123 | N | 39.6 | Very low | 47.8 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 84.9 | 77.4 | 173.6 | -67.4 | 19.5 | 0 | 0 | 0 | 117.3 | V125 | N123-V125 VanDerWaalsContact C-N 3.26Å; N123-V125 PolarHBondContact O-N 3.46Å | ||
| 124 | L | 46.6 | Very low | 47.7 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | trans | -62.9 | 92.4 | 140.1 | -69.8 | 165.7 | 0 | 0 | 0 | 108.3 | ||||
| 125 | V | 41.9 | Very low | 47.5 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 123.3 | 158.2 | 176.4 | 0 | 0 | 0 | 0 | 106.2 | N123 V127 | N123-V125 VanDerWaalsContact C-N 3.26Å; N123-V125 PolarHBondContact O-N 3.46Å; V125-V127 PolarHBondContact O-N 2.97Å | ||
| 126 | P | 46.1 | Very low | 47.2 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | trans | -70.4 | 101.4 | 176.5 | 28.6 | -29.5 | 0 | 0 | 0 | 107.6 | T128 | P126-T128 VanDerWaalsContact C-N 3.3Å; P126-T128 PolarHBondContact O-N 3.09Å | ||
| 127 | V | 43.1 | Very low | 46.7 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | trans | -70 | 96.1 | 164 | 166.6 | 0 | 0 | 0 | 0 | 106.6 | V125 T129 | V125-V127 PolarHBondContact O-N 2.97Å; V127-T129 VanDerWaalsContact C-N 3.28Å; V127-T129 WeakPolarHBondContact CG1-OG1 3.49Å; V127-T129 PolarHBondContact O-N 2.98Å | ||
| 128 | T | 55 | Low | 46.6 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 91.2 | 161.5 | 52 | 0 | 0 | 0 | 0 | 107.8 | P126 | P126-T128 VanDerWaalsContact C-N 3.3Å; P126-T128 PolarHBondContact O-N 3.09Å | ||
| 129 | T | 45.8 | Very low | 46.7 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -112.7 | 104.6 | 168.8 | -66.8 | 0 | 0 | 0 | 0 | 109 | V127 K131 | V127-T129 VanDerWaalsContact C-N 3.28Å; V127-T129 WeakPolarHBondContact CG1-OG1 3.49Å; V127-T129 PolarHBondContact O-N 2.98Å; T129-K131 PolarHBondContact O-N 3.15Å | ||
| 130 | N | 52.7 | Low | 46.6 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -37.5 | 121.1 | 159.2 | -81.6 | -9.6 | 0 | 0 | 0 | 111.3 | ||||
| 131 | K | 41.8 | Very low | 46.8 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -149 | 100 | 153.3 | -170.3 | 166.1 | 174.5 | -84.1 | 0 | 110.3 | T129 T133 | T129-K131 PolarHBondContact O-N 3.15Å; K131-T133 HydrophobicContact CG-CG2 4.31Å; K131-T133 VanDerWaalsContact NZ-CG2 3.28Å; K131-T133 PolarHBondContact O-N 2.83Å | ||
| 132 | R | 51.6 | Low | 46.4 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -48.3 | 113.1 | 159 | -178.9 | 179.6 | -173 | 173.7 | 2.4 | 109.2 | ||||
| 133 | T | 43.9 | Very low | 46.3 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | trans | -142.8 | 124.9 | 160.1 | 43 | 0 | 0 | 0 | 0 | 109 | K131 | K131-T133 HydrophobicContact CG-CG2 4.31Å; K131-T133 VanDerWaalsContact NZ-CG2 3.28Å; K131-T133 PolarHBondContact O-N 2.83Å | ||
| 134 | N | 51.8 | Low | 46.7 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -56.6 | 138.7 | -175.6 | -58.6 | -57.3 | 0 | 0 | 0 | 113 | ||||
| 135 | V | 42.5 | Very low | 46.7 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -134.6 | 99.1 | 164.1 | -166 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 136 | S | 46.4 | Very low | 47 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | 58.9 | 122.4 | 96.9 | -164.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 137 | G | 43.9 | Very low | 47 | Very low | 65 Ų | 65 | 148.1 Ų | 148.1 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 157.3 | 100.8 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 138 | S | 45.4 | Very low | 47.4 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -41.1 | 133.1 | 156.8 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 139 | I | 49.4 | Very low | 46.7 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -135.5 | 107.2 | 162 | -58.5 | -178.8 | 0 | 0 | 0 | 107.7 | ||||
| 140 | R | 45.4 | Very low | 46.8 | Very low | 307 Ų | 307 | 156 Ų | 156 | 100% | 1.158 | 82% | 0.82 | S | S | * | * | trans | 62.8 | 0 | 157.9 | -73.1 | -178.4 | 162.3 | -162.6 | -5 | 119.6 |
Retrieved 140 of 140 residues in 927.9 ms
(Link to these results)