| 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 | 56.6 | Low | 81.4 | Confident | 220 Ų | 220 | 111.9 Ų | 111.9 | 100% | 1.084 | 59% | 0.586 | S | S | * | * | 0 | 136.9 | 0 | -75.2 | -159.5 | -97.7 | 0 | 0 | 107.7 | |||||
| 2 | S | 76.3 | Confident | 81.7 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 49% | 0.49 | 58% | 0.581 | S | S | . | * | trans | -83.5 | 150.6 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | E4 A5 V6 | S2-E4 PolarHBondContact O-N 2.93Å; S2-E4 VanDerWaalsContact O-N 3.12Å; S2-A5 WeakPolarHBondContact O-CB 3.43Å; S2-A5 PolarHBondContact O-N 3.05Å; S2-V6 PolarHBondContact O-N 3.2Å | ||
| 3 | D | 82.5 | Confident | 81.7 | Confident | 139 Ų | 139 | 107.6 Ų | 107.6 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -55.4 | -28.8 | 175.3 | -77.5 | -22.5 | 0 | 0 | 0 | 112.7 | V6 S7 | D3-V6 PolarHBondContact O-N 3.42Å; D3-S7 WeakPolarHBondContact O-CB 3.42Å; D3-S7 PolarHBondContact O-N 3.33Å; D3-S7 PolarHBondContact O-OG 2.76Å |
| 4 | E | 85.4 | Confident | 82 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.6 | -39.3 | 175.9 | -163 | -178 | 167.9 | 0 | 0 | 112.4 | S2 S7 R8 | S2-E4 PolarHBondContact O-N 2.93Å; S2-E4 VanDerWaalsContact O-N 3.12Å; E4-S7 PolarHBondContact O-N 3.23Å; E4-R8 WeakPolarHBondContact O-CG 3.31Å; E4-R8 PolarHBondContact O-N 3.11Å; E4-R8 IonicContact OE1-CZ 2.73Å; E4-R8 IonicContact OE1-NE 3.66Å; E4-R8 IonicContact OE1-NH2 2.87Å; E4-R8 PolarHBondContact OE1-NH2 3.47Å |
| 5 | A | 84 | Confident | 82.2 | Confident | 46 Ų | 46 | 114.9 Ų | 114.9 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.1 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2 L9 | S2-A5 WeakPolarHBondContact O-CB 3.43Å; S2-A5 PolarHBondContact O-N 3.05Å; A5-L9 WeakPolarHBondContact O-CB 3.39Å; A5-L9 PolarHBondContact O-N 3.36Å |
| 6 | V | 82.3 | Confident | 82.4 | Confident | 61 Ų | 61 | 114.4 Ų | 114.4 | 37% | 0.37 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.7 | -42.4 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | S2 D3 L9 L10 | S2-V6 PolarHBondContact O-N 3.2Å; D3-V6 PolarHBondContact O-N 3.42Å; V6-L9 PolarHBondContact O-N 3.1Å; V6-L10 HydrophobicContact CG1-CD1 4.13Å; V6-L10 WeakPolarHBondContact O-CG 3.21Å; V6-L10 PolarHBondContact O-N 2.98Å |
| 7 | S | 85.4 | Confident | 82.4 | Confident | 68 Ų | 68 | 111.2 Ų | 111.2 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -41.4 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | D3 E4 L10 Q11 | D3-S7 WeakPolarHBondContact O-CB 3.42Å; D3-S7 PolarHBondContact O-N 3.33Å; D3-S7 PolarHBondContact O-OG 2.76Å; E4-S7 PolarHBondContact O-N 3.23Å; S7-L10 PolarHBondContact O-N 2.82Å; S7-Q11 PolarHBondContact O-N 2.87Å |
| 8 | R | 84.9 | Confident | 82.4 | Confident | 157 Ų | 157 | 109.9 Ų | 109.9 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 174.5 | -70.8 | 179.2 | -169.2 | -162.7 | 4.3 | 111.7 | E4 Q11 S12 | E4-R8 WeakPolarHBondContact O-CG 3.31Å; E4-R8 PolarHBondContact O-N 3.11Å; E4-R8 IonicContact OE1-CZ 2.73Å; E4-R8 IonicContact OE1-NE 3.66Å; E4-R8 IonicContact OE1-NH2 2.87Å; E4-R8 PolarHBondContact OE1-NH2 3.47Å; R8-Q11 PolarHBondContact O-N 2.79Å; R8-S12 PolarHBondContact O-N 2.82Å; R8-S12 PolarHBondContact O-OG 3.21Å |
| 9 | L | 86.2 | Confident | 82.5 | Confident | 107 Ų | 107 | 110.3 Ų | 110.3 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -45 | 175.8 | -175.8 | 66.4 | 0 | 0 | 0 | 111.4 | A5 V6 Q11 S12 L13 | A5-L9 WeakPolarHBondContact O-CB 3.39Å; A5-L9 PolarHBondContact O-N 3.36Å; V6-L9 PolarHBondContact O-N 3.1Å; L9-Q11 PolarHBondContact O-N 3.19Å; L9-S12 PolarHBondContact O-N 3.27Å; L9-L13 HydrophobicContact CG-CD1 4.14Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.19Å |
| 10 | L | 85.5 | Confident | 82.5 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.7 | -41 | 177.1 | -75.3 | 171.1 | 0 | 0 | 0 | 112.5 | V6 S7 L13 R14 | V6-L10 HydrophobicContact CG1-CD1 4.13Å; V6-L10 WeakPolarHBondContact O-CG 3.21Å; V6-L10 PolarHBondContact O-N 2.98Å; S7-L10 PolarHBondContact O-N 2.82Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-R14 WeakPolarHBondContact O-CB 3.16Å; L10-R14 PolarHBondContact O-N 3.4Å |
| 11 | Q | 86 | Confident | 82.4 | Confident | 137 Ų | 137 | 109.9 Ų | 109.9 | 64% | 0.64 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.6 | -41.4 | 174.8 | -84 | -175 | -15.6 | 0 | 0 | 112.5 | S7 R8 L9 R14 K15 | S7-Q11 PolarHBondContact O-N 2.87Å; R8-Q11 PolarHBondContact O-N 2.79Å; L9-Q11 PolarHBondContact O-N 3.19Å; Q11-R14 PolarHBondContact O-N 3.11Å; Q11-K15 PolarHBondContact O-N 2.91Å |
| 12 | S | 84.8 | Confident | 83.3 | Confident | 75 Ų | 75 | 104.4 Ų | 104.4 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | R8 L9 R14 K15 Q16 | R8-S12 PolarHBondContact O-N 2.82Å; R8-S12 PolarHBondContact O-OG 3.21Å; L9-S12 PolarHBondContact O-N 3.27Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 2.85Å; S12-K15 PolarHBondContact O-N 3.24Å; S12-Q16 WeakPolarHBondContact O-CB 3.18Å; S12-Q16 PolarHBondContact O-N 3.11Å |
| 13 | L | 81.9 | Confident | 83.3 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.7 | -74.6 | 171.5 | 0 | 0 | 0 | 111.8 | L9 L10 Q16 A17 | L9-L13 HydrophobicContact CG-CD1 4.14Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 2.94Å; L13-Q16 PolarHBondContact O-N 3.48Å; L13-A17 WeakPolarHBondContact O-CB 3.2Å; L13-A17 PolarHBondContact O-N 2.77Å |
| 14 | R | 86.2 | Confident | 82.8 | Confident | 170 Ų | 170 | 105.1 Ų | 105.1 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -47.7 | 175.4 | -178.7 | 178.7 | 172.7 | 171.5 | 4.2 | 111.9 | L10 Q11 S12 Q16 A17 E18 | L10-R14 WeakPolarHBondContact O-CB 3.16Å; L10-R14 PolarHBondContact O-N 3.4Å; Q11-R14 PolarHBondContact O-N 3.11Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 2.85Å; R14-Q16 VanDerWaalsContact C-N 3.27Å; R14-Q16 PolarHBondContact O-N 3.45Å; R14-A17 PolarHBondContact O-N 2.76Å; R14-E18 WeakPolarHBondContact CG-OE1 3.45Å; R14-E18 IonicContact CZ-OE1 2.72Å; R14-E18 IonicContact NE-OE1 3.56Å; R14-E18 PolarHBondContact NE-OE1 2.78Å; R14-E18 IonicContact NH2-OE1 3.67Å; R14-E18 WeakPolarHBondContact O-CG 3.5Å; R14-E18 PolarHBondContact O-N 3.21Å |
| 15 | K | 85.4 | Confident | 82 | Confident | 155 Ų | 155 | 103.3 Ų | 103.3 | 67% | 0.674 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 176.9 | -78 | -171.9 | 176.6 | -171.8 | 0 | 112.4 | Q11 S12 H19 | Q11-K15 PolarHBondContact O-N 2.91Å; S12-K15 PolarHBondContact O-N 3.24Å; K15-H19 WeakPolarHBondContact O-CB 3.46Å; K15-H19 PolarHBondContact O-N 2.86Å |
| 16 | Q | 85.6 | Confident | 81.2 | Confident | 107 Ų | 107 | 106.1 Ų | 106.1 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 176.5 | -174 | 176.6 | -18.3 | 0 | 0 | 111.6 | S12 L13 R14 E18 H19 E20 | S12-Q16 WeakPolarHBondContact O-CB 3.18Å; S12-Q16 PolarHBondContact O-N 3.11Å; L13-Q16 PolarHBondContact O-N 3.48Å; R14-Q16 VanDerWaalsContact C-N 3.27Å; R14-Q16 PolarHBondContact O-N 3.45Å; Q16-E18 VanDerWaalsContact C-N 3.35Å; Q16-E18 PolarHBondContact O-N 3.23Å; Q16-H19 WeakPolarHBondContact O-CB 3.47Å; Q16-H19 PolarHBondContact O-N 2.96Å; Q16-E20 PolarHBondContact NE2-OE1 3.47Å; Q16-E20 PolarHBondContact O-N 2.94Å |
| 17 | A | 81.3 | Confident | 80.4 | Confident | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L13 R14 H19 E20 L21 | L13-A17 WeakPolarHBondContact O-CB 3.2Å; L13-A17 PolarHBondContact O-N 2.77Å; R14-A17 PolarHBondContact O-N 2.76Å; A17-H19 VanDerWaalsContact C-N 3.33Å; A17-E20 PolarHBondContact O-N 3.24Å; A17-L21 WeakPolarHBondContact O-CB 3.48Å; A17-L21 PolarHBondContact O-N 2.72Å |
| 18 | E | 83.2 | Confident | 79.1 | Confident | 89 Ų | 89 | 111 Ų | 111 | 42% | 0.416 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 173.6 | -72.9 | 169.2 | -174.3 | 0 | 0 | 111.4 | R14 Q16 L22 | R14-E18 WeakPolarHBondContact CG-OE1 3.45Å; R14-E18 IonicContact CZ-OE1 2.72Å; R14-E18 IonicContact NE-OE1 3.56Å; R14-E18 PolarHBondContact NE-OE1 2.78Å; R14-E18 IonicContact NH2-OE1 3.67Å; R14-E18 WeakPolarHBondContact O-CG 3.5Å; R14-E18 PolarHBondContact O-N 3.21Å; Q16-E18 VanDerWaalsContact C-N 3.35Å; Q16-E18 PolarHBondContact O-N 3.23Å; E18-L22 WeakPolarHBondContact O-CB 3.43Å; E18-L22 VanDerWaalsContact O-CG 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.36Å; E18-L22 PolarHBondContact O-N 2.97Å; E18-L22 VanDerWaalsContact O-N 3.07Å |
| 19 | H | 84.3 | Confident | 77.8 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 176.5 | -172.8 | -91.6 | 0 | 0 | 0 | 112.8 | K15 Q16 A17 L22 L23 | K15-H19 WeakPolarHBondContact O-CB 3.46Å; K15-H19 PolarHBondContact O-N 2.86Å; Q16-H19 WeakPolarHBondContact O-CB 3.47Å; Q16-H19 PolarHBondContact O-N 2.96Å; A17-H19 VanDerWaalsContact C-N 3.33Å; H19-L22 PolarHBondContact O-N 3.04Å; H19-L23 WeakPolarHBondContact O-CG 3.33Å; H19-L23 PolarHBondContact O-N 2.78Å; H19-L23 VanDerWaalsContact O-N 3.1Å |
| 20 | E | 81.9 | Confident | 76.4 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.7 | -40.2 | 175.9 | -73.7 | -175.9 | -162.6 | 0 | 0 | 111.9 | Q16 A17 L22 L23 E24 | Q16-E20 PolarHBondContact NE2-OE1 3.47Å; Q16-E20 PolarHBondContact O-N 2.94Å; A17-E20 PolarHBondContact O-N 3.24Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 2.73Å; E20-L23 PolarHBondContact O-N 3.33Å; E20-E24 PolarHBondContact O-N 2.97Å |
| 21 | L | 80.1 | Confident | 75 | Confident | 102 Ų | 102 | 111.7 Ų | 111.7 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -40.2 | 174.9 | -174.2 | 71.1 | 0 | 0 | 0 | 112 | A17 L23 E24 L25 | A17-L21 WeakPolarHBondContact O-CB 3.48Å; A17-L21 PolarHBondContact O-N 2.72Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-E24 PolarHBondContact O-N 2.92Å; L21-L25 HydrophobicContact CG-CD1 4.41Å; L21-L25 WeakPolarHBondContact O-CG 3.12Å; L21-L25 PolarHBondContact O-N 3.36Å |
| 22 | L | 75.3 | Confident | 73.6 | Confident | 106 Ų | 106 | 112.2 Ų | 112.2 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -36.6 | 175.8 | -75.8 | 169.3 | 0 | 0 | 0 | 112.1 | E18 H19 E20 L26 | E18-L22 WeakPolarHBondContact O-CB 3.43Å; E18-L22 VanDerWaalsContact O-CG 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.36Å; E18-L22 PolarHBondContact O-N 2.97Å; E18-L22 VanDerWaalsContact O-N 3.07Å; H19-L22 PolarHBondContact O-N 3.04Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 2.73Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.73Å |
| 23 | L | 76.8 | Confident | 71.8 | Confident | 94 Ų | 94 | 116.9 Ų | 116.9 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68 | -41.4 | 174.6 | -74.2 | 170.9 | 0 | 0 | 0 | 111.9 | H19 E20 L21 L26 D27 | H19-L23 WeakPolarHBondContact O-CG 3.33Å; H19-L23 PolarHBondContact O-N 2.78Å; H19-L23 VanDerWaalsContact O-N 3.1Å; E20-L23 PolarHBondContact O-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L23-L26 WeakPolarHBondContact O-CB 3.19Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-D27 PolarHBondContact O-N 3.16Å |
| 24 | E | 73.6 | Confident | 70.3 | Confident | 129 Ų | 129 | 119.8 Ų | 119.8 | 60% | 0.603 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -40.1 | 176.3 | -173 | 177.1 | -172.7 | 0 | 0 | 112 | E20 L21 D27 M28 | E20-E24 PolarHBondContact O-N 2.97Å; L21-E24 PolarHBondContact O-N 2.92Å; E24-D27 PolarHBondContact O-N 2.8Å; E24-M28 PolarHBondContact O-N 2.87Å |
| 25 | L | 68.3 | Low | 68.3 | Low | 83 Ų | 83 | 119.2 Ų | 119.2 | 44% | 0.435 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.3 | -41.1 | 173 | -73.8 | 168.9 | 0 | 0 | 0 | 111.9 | L21 M28 T29 | L21-L25 HydrophobicContact CG-CD1 4.41Å; L21-L25 WeakPolarHBondContact O-CG 3.12Å; L21-L25 PolarHBondContact O-N 3.36Å; L25-M28 HydrophobicContact CD2-CE 3.71Å; L25-M28 PolarHBondContact O-N 2.75Å; L25-T29 WeakPolarHBondContact O-CG2 3.46Å; L25-T29 PolarHBondContact O-N 3.26Å; L25-T29 VanDerWaalsContact O-N 3.14Å; L25-T29 PolarHBondContact O-OG1 2.87Å |
| 26 | L | 65.9 | Low | 66.3 | Low | 104 Ų | 104 | 117 Ų | 117 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.1 | -42.2 | 175.3 | -85.4 | 159.8 | 0 | 0 | 0 | 111.5 | L22 L23 T29 V30 | L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.73Å; L23-L26 WeakPolarHBondContact O-CB 3.19Å; L23-L26 PolarHBondContact O-N 3.04Å; L26-T29 WeakPolarHBondContact CA-OG1 3.48Å; L26-T29 PolarHBondContact O-N 2.85Å; L26-T29 VanDerWaalsContact O-N 3.13Å; L26-T29 PolarHBondContact O-OG1 2.94Å; L26-V30 WeakPolarHBondContact O-CG2 3.21Å; L26-V30 PolarHBondContact O-N 3.46Å |
| 27 | D | 66.1 | Low | 64.5 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.8 | -40.1 | 178.8 | -134.8 | 22.5 | 0 | 0 | 0 | 111.3 | L23 E24 T29 V30 E31 | L23-D27 PolarHBondContact O-N 3.16Å; E24-D27 PolarHBondContact O-N 2.8Å; D27-T29 VanDerWaalsContact C-N 3.26Å; D27-T29 PolarHBondContact O-N 3.48Å; D27-V30 PolarHBondContact O-N 3.12Å; D27-V30 VanDerWaalsContact O-N 3.11Å; D27-E31 PolarHBondContact O-N 3.21Å |
| 28 | M | 57.8 | Low | 62.5 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 59% | 0.586 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -61.1 | -32.4 | 171.8 | -82.5 | -162.4 | -52.4 | 0 | 0 | 113.1 | E24 L25 V30 | E24-M28 PolarHBondContact O-N 2.87Å; L25-M28 HydrophobicContact CD2-CE 3.71Å; L25-M28 PolarHBondContact O-N 2.75Å; M28-V30 VanDerWaalsContact C-N 3.3Å |
| 29 | T | 57.7 | Low | 60.7 | Low | 99 Ų | 99 | 124 Ų | 124 | 61% | 0.607 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.3 | -13.5 | 177.4 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | L25 L26 D27 | L25-T29 WeakPolarHBondContact O-CG2 3.46Å; L25-T29 PolarHBondContact O-N 3.26Å; L25-T29 VanDerWaalsContact O-N 3.14Å; L25-T29 PolarHBondContact O-OG1 2.87Å; L26-T29 WeakPolarHBondContact CA-OG1 3.48Å; L26-T29 PolarHBondContact O-N 2.85Å; L26-T29 VanDerWaalsContact O-N 3.13Å; L26-T29 PolarHBondContact O-OG1 2.94Å; D27-T29 VanDerWaalsContact C-N 3.26Å; D27-T29 PolarHBondContact O-N 3.48Å |
| 30 | V | 57.6 | Low | 58.7 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 67% | 0.673 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -91.6 | -22 | -178.9 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | L26 D27 M28 | L26-V30 WeakPolarHBondContact O-CG2 3.21Å; L26-V30 PolarHBondContact O-N 3.46Å; D27-V30 PolarHBondContact O-N 3.12Å; D27-V30 VanDerWaalsContact O-N 3.11Å; M28-V30 VanDerWaalsContact C-N 3.3Å |
| 31 | E | 55.8 | Low | 57.3 | Low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -86.9 | -4.9 | 179.4 | -68.6 | -156.4 | 157.1 | 0 | 0 | 115.3 | D27 | D27-E31 PolarHBondContact O-N 3.21Š|
| 32 | E | 55.2 | Low | 55.5 | Low | 147 Ų | 147 | 136.7 Ų | 136.7 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -95.9 | 109.4 | 169.7 | -70.9 | -168.2 | 164.5 | 0 | 0 | 110.9 | L34 | E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.33Å |
| 33 | D | 47.2 | Very low | 53.7 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 93% | 0.925 | 73% | 0.725 | S | S | * | * | trans | -45.4 | 76.3 | 176.3 | -87.6 | -39.8 | 0 | 0 | 0 | 115.3 | ||||
| 34 | L | 51.2 | Low | 51.9 | Low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | -125.2 | 77.5 | 174.9 | -79.8 | 159.7 | 0 | 0 | 0 | 111.5 | E32 | E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.33Å | ||
| 35 | I | 43.5 | Very low | 50.7 | Low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | -123.8 | 144.4 | 156.6 | -27 | -178.4 | 0 | 0 | 0 | 104.6 | ||||
| 36 | P | 43.5 | Very low | 49.5 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | cis | -153.6 | 130.1 | 23.4 | 37 | -12.6 | 0 | 0 | 0 | 117.4 | ||||
| 37 | T | 47.7 | Very low | 48.7 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -153.7 | 75.1 | 152.8 | 1.5 | 0 | 0 | 0 | 0 | 111.8 | G39 | T37-G39 PolarHBondContact O-N 3.46Š| ||
| 38 | M | 40.2 | Very low | 48 | Very low | 204 Ų | 204 | 137.4 Ų | 137.4 | 100% | 1.005 | 77% | 0.768 | S | S | * | * | trans | -74.9 | 74.7 | 156.3 | -78 | -161.1 | -63.3 | 0 | 0 | 108.5 | ||||
| 39 | G | 44.5 | Very low | 47.5 | Very low | 52 Ų | 52 | 137.7 Ų | 137.7 | 54% | 0.536 | 78% | 0.78 | S | S | . | * | trans | -106.6 | 112 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | T37 W41 | T37-G39 PolarHBondContact O-N 3.46Å; G39-W41 PolarHBondContact O-N 2.79Å | ||
| 40 | Q | 43.4 | Very low | 47.2 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 33.1 | 86.9 | 159.6 | -74.9 | 175.4 | -31.1 | 0 | 0 | 116.5 | D42 | Q40-D42 PolarHBondContact O-N 2.91Š| ||
| 41 | W | 51.2 | Low | 46.7 | Very low | 251 Ų | 251 | 142.8 Ų | 142.8 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 82.9 | 156.5 | -119.5 | 45.4 | 0 | 0 | 0 | 107.8 | G39 | G39-W41 PolarHBondContact O-N 2.79Š| ||
| 42 | D | 43.6 | Very low | 46.5 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -109.4 | 108.6 | 173.1 | -145.4 | 3.7 | 0 | 0 | 0 | 106.8 | Q40 | Q40-D42 PolarHBondContact O-N 2.91Š| ||
| 43 | G | 36 | Very low | 46.5 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 57.8 | 94.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 44 | G | 40.3 | Very low | 46.8 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -167.9 | 92.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 45 | V | 47.9 | Very low | 47.1 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 5.8 | 121.9 | 152.6 | -175.2 | 0 | 0 | 0 | 0 | 115.1 | S47 | V45-S47 VanDerWaalsContact C-N 3.34Å; V45-S47 PolarHBondContact O-N 3.38Å; V45-S47 PolarHBondContact O-OG 3.06Å | ||
| 46 | D | 43.1 | Very low | 47.7 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -45.1 | 92.4 | 171.4 | -69.2 | -38.3 | 0 | 0 | 0 | 111.5 | ||||
| 47 | S | 48.3 | Very low | 48.4 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -97.6 | 8.8 | -173.9 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | V45 C49 | V45-S47 VanDerWaalsContact C-N 3.34Å; V45-S47 PolarHBondContact O-N 3.38Å; V45-S47 PolarHBondContact O-OG 3.06Å; S47-C49 PolarHBondContact O-N 3.27Å | ||
| 48 | N | 51.8 | Low | 48.9 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 20.2 | -168.9 | -74 | -3 | 0 | 0 | 0 | 114.4 | F51 | N48-F51 WeakPolarHBondContact O-CE2 3.37Š|
| 49 | C | 47.3 | Very low | 49.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 12.8 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | S47 | S47-C49 PolarHBondContact O-N 3.27Š|
| 50 | L | 51.7 | Low | 50.3 | Low | 138 Ų | 138 | 133.1 Ų | 133.1 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | trans | -111.4 | 58.2 | 172.9 | -119 | 120.8 | 0 | 0 | 0 | 109.5 | D52 | L50-D52 PolarHBondContact O-N 3.28Š| ||
| 51 | F | 48 | Very low | 51.3 | Low | 178 Ų | 178 | 128.1 Ų | 128.1 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | trans | -80 | 102.1 | 152.8 | -65.9 | -78.3 | 0 | 0 | 0 | 104.5 | N48 D53 | N48-F51 WeakPolarHBondContact O-CE2 3.37Å; F51-D53 PolarHBondContact O-N 3.15Å | ||
| 52 | D | 51.8 | Low | 52.2 | Low | 128 Ų | 128 | 120.7 Ų | 120.7 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | trans | -59.5 | 110.3 | 167.9 | -68.6 | -35.7 | 0 | 0 | 0 | 105.8 | L50 D54 | L50-D52 PolarHBondContact O-N 3.28Å; D52-D54 PolarHBondContact O-N 2.99Å | ||
| 53 | D | 53.5 | Low | 53.7 | Low | 161 Ų | 161 | 116.4 Ų | 116.4 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | -53 | 113.9 | 165.4 | -96.4 | -24.8 | 0 | 0 | 0 | 105.7 | F51 A55 | F51-D53 PolarHBondContact O-N 3.15Å; D53-A55 PolarHBondContact O-N 3.47Å; D53-A55 VanDerWaalsContact O-N 3.11Å | ||
| 54 | D | 55 | Low | 55.6 | Low | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 64% | 0.644 | S | S | * | * | trans | -46 | 124.2 | 179.4 | -75.2 | -40.1 | 0 | 0 | 0 | 108.5 | D52 Q56 F57 | D52-D54 PolarHBondContact O-N 2.99Å; D54-Q56 PolarHBondContact O-N 2.7Å; D54-F57 HydrophobicContact CB-CE2 4.44Å | ||
| 55 | A | 56.4 | Low | 57.1 | Low | 80 Ų | 80 | 115.4 Ų | 115.4 | 66% | 0.661 | 63% | 0.628 | S | S | * | * | trans | -49 | 136.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110 | D53 F57 | D53-A55 PolarHBondContact O-N 3.47Å; D53-A55 VanDerWaalsContact O-N 3.11Å; A55-F57 VanDerWaalsContact O-CD2 3.3Å; A55-F57 WeakPolarHBondContact O-CD2 3.48Å; A55-F57 PolarHBondContact O-N 3.14Å | ||
| 56 | Q | 56.9 | Low | 58.6 | Low | 195 Ų | 195 | 117.9 Ų | 117.9 | 91% | 0.911 | 62% | 0.623 | S | S | * | * | trans | -59.1 | 106.5 | 179.5 | -68.9 | 179.2 | 14.4 | 0 | 0 | 109.5 | D54 N58 | D54-Q56 PolarHBondContact O-N 2.7Å; Q56-N58 PolarHBondContact O-N 2.66Å | ||
| 57 | F | 57.1 | Low | 59.9 | Low | 135 Ų | 135 | 113.5 Ų | 113.5 | 59% | 0.592 | 60% | 0.6 | S | S | * | * | trans | -65.4 | 118.6 | 173.4 | -64 | -87.6 | 0 | 0 | 0 | 109.1 | D54 A55 D85 | D54-F57 HydrophobicContact CB-CE2 4.44Å; A55-F57 VanDerWaalsContact O-CD2 3.3Å; A55-F57 WeakPolarHBondContact O-CD2 3.48Å; A55-F57 PolarHBondContact O-N 3.14Å; F57-D85 WeakPolarHBondContact CD1-OD2 3.46Å; F57-D85 HydrophobicContact CE1-CB 3.94Å; F57-D85 WeakPolarHBondContact CE1-OD2 3.43Å | ||
| 58 | N | 58.5 | Low | 61.4 | Low | 126 Ų | 126 | 118 Ų | 118 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | trans | -114.9 | 90 | 172.1 | -177.3 | 47.9 | 0 | 0 | 0 | 109.8 | Q56 L60 | Q56-N58 PolarHBondContact O-N 2.66Å; N58-L60 PolarHBondContact ND2-O 3.03Å; N58-L60 VanDerWaalsContact ND2-O 3.16Å; N58-L60 PolarHBondContact O-N 3.06Å | ||
| 59 | D | 61 | Low | 62.4 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 41% | 0.406 | 62% | 0.617 | S | S | . | * | trans | -75.2 | -4.5 | 176.6 | -56.9 | -24.3 | 0 | 0 | 0 | 112.8 | E61 I80 E81 | D59-E61 PolarHBondContact O-N 3.11Å; D59-I80 HydrophobicContact CB-CG2 3.97Å; D59-I80 VanDerWaalsContact O-CA 3.31Å; D59-I80 WeakPolarHBondContact O-CA 3.34Å; D59-E81 PolarHBondContact O-N 3.08Å | ||
| 60 | L | 54.1 | Low | 63.8 | Low | 71 Ų | 71 | 118.3 Ų | 118.3 | 37% | 0.372 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.8 | -175.5 | -159 | 74.4 | 0 | 0 | 0 | 110.7 | N58 E78 I80 | N58-L60 PolarHBondContact ND2-O 3.03Å; N58-L60 VanDerWaalsContact ND2-O 3.16Å; N58-L60 PolarHBondContact O-N 3.06Å; L60-E78 HydrophobicContact CD1-CB 3.9Å; L60-E78 HydrophobicContact CD1-CG 4.42Å; L60-E78 HydrophobicContact CD2-CG 4.16Å; L60-E78 HydrophobicContact CG-CB 4.24Å; L60-E78 HydrophobicContact CG-CG 4.3Å; L60-I80 HydrophobicContact CD1-CG1 4.45Å |
| 61 | E | 64.7 | Low | 64.8 | Low | 83 Ų | 83 | 113.7 Ų | 113.7 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.6 | 172.2 | -68.3 | -169.3 | 171.2 | 0 | 0 | 111.8 | D59 A79 E81 | D59-E61 PolarHBondContact O-N 3.11Å; E61-A79 PolarHBondContact N-O 3.36Å; E61-A79 PolarHBondContact O-N 3.05Å; E61-A79 VanDerWaalsContact O-O 3.11Å; E61-E81 HydrophobicContact CB-CB 4.48Å; E61-E81 HydrophobicContact CG-CB 3.89Å |
| 62 | V | 70.1 | Confident | 66.1 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 111.3 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | Y76 | V62-Y76 HydrophobicContact CG1-CD1 3.85Å; V62-Y76 HydrophobicContact CG1-CG 4.27Å |
| 63 | K | 73.8 | Confident | 67.4 | Low | 66 Ų | 66 | 109 Ų | 109 | 29% | 0.287 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.4 | 174.7 | -67.4 | -171.1 | -178.8 | 178.6 | 0 | 110.8 | R77 A79 E81 | K63-R77 HydrophobicContact CB-CG 4.01Å; K63-R77 PolarHBondContact N-O 2.89Å; K63-R77 PolarHBondContact O-N 3.31Å; K63-A79 HydrophobicContact CB-CB 4.44Å; K63-A79 HydrophobicContact CD-CB 3.51Å; K63-A79 HydrophobicContact CG-CB 3.83Å; K63-E81 WeakPolarHBondContact CE-OE2 3.36Å; K63-E81 IonicContact NZ-OE2 3.58Å; K63-E81 PolarHBondContact NZ-OE2 3.2Å |
| 64 | V | 75.4 | Confident | 68.3 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.2 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | R66 V73 Y76 | V64-R66 HydrophobicContact CG1-CG 4.37Å; V64-V73 HydrophobicContact CG1-CB 4.01Å; V64-V73 HydrophobicContact CG1-CG1 3.5Å; V64-V73 VanDerWaalsContact CG1-CG1 3.5Å; V64-V73 HydrophobicContact CG1-CG2 3.45Å; V64-V73 VanDerWaalsContact CG1-CG2 3.45Å; V64-Y76 HydrophobicContact CG2-CD1 3.99Å; V64-Y76 HydrophobicContact CG2-CE1 3.91Å |
| 65 | V | 73.4 | Confident | 69.1 | Low | 52 Ų | 52 | 102.2 Ų | 102.2 | 32% | 0.315 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.7 | 172.1 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | A74 N75 R77 | V65-A74 PolarHBondContact O-N 2.73Å; V65-N75 WeakPolarHBondContact CA-O 3.29Å; V65-N75 HydrophobicContact CB-CB 4.33Å; V65-N75 WeakPolarHBondContact CB-O 3.31Å; V65-N75 PolarHBondContact N-O 3.11Å; V65-N75 PolarHBondContact O-N 3.41Å; V65-R77 HydrophobicContact CG2-CG 4.26Å |
| 66 | R | 78.1 | Confident | 69.9 | Low | 178 Ų | 178 | 106 Ų | 106 | 67% | 0.672 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 146.3 | 178.4 | -65.6 | -177.6 | -178.9 | -176.8 | 0.5 | 111.2 | V64 G71 E72 | V64-R66 HydrophobicContact CG1-CG 4.37Å; R66-G71 WeakPolarHBondContact CD-O 3.39Å; R66-E72 CarbonylContact C-O 3.49Å; R66-E72 WeakPolarHBondContact CA-O 3.03Å |
| 67 | D | 70.5 | Confident | 70.4 | Confident | 64 Ų | 64 | 103.9 Ų | 103.9 | 34% | 0.342 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 133.3 | 169.4 | -174.2 | -68 | 0 | 0 | 0 | 109.8 | H69 T70 G71 E72 A74 | D67-H69 VanDerWaalsContact C-N 3.25Å; D67-H69 PolarHBondContact O-N 3.39Å; D67-H69 WeakPolarHBondContact OD1-CA 3.09Å; D67-H69 WeakPolarHBondContact OD1-CB 3.3Å; D67-H69 PolarHBondContact OD1-N 3Å; D67-H69 IonicContact OD1-ND1 3.82Å; D67-T70 VanDerWaalsContact CB-OG1 3.31Å; D67-T70 WeakPolarHBondContact CB-OG1 3.43Å; D67-T70 PolarHBondContact OD1-N 3.04Å; D67-G71 WeakPolarHBondContact O-CA 3.43Å; D67-G71 PolarHBondContact O-N 3.33Å; D67-E72 PolarHBondContact N-O 3.32Å; D67-A74 HydrophobicContact CB-CB 4.29Å |
| 68 | E | 79.6 | Confident | 70.7 | Confident | 186 Ų | 186 | 104.3 Ų | 104.3 | 87% | 0.869 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.5 | -176 | -64.6 | -177.7 | 170 | 0 | 0 | 113.5 | ||
| 69 | H | 74.3 | Confident | 70.9 | Confident | 170 Ų | 170 | 99.2 Ų | 99.2 | 79% | 0.787 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -38.9 | -173.3 | -58.5 | 82 | 0 | 0 | 0 | 112.3 | D67 | D67-H69 VanDerWaalsContact C-N 3.25Å; D67-H69 PolarHBondContact O-N 3.39Å; D67-H69 WeakPolarHBondContact OD1-CA 3.09Å; D67-H69 WeakPolarHBondContact OD1-CB 3.3Å; D67-H69 PolarHBondContact OD1-N 3Å; D67-H69 IonicContact OD1-ND1 3.82Å |
| 70 | T | 75.4 | Confident | 70.7 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -22.3 | 179.9 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | D67 E72 | D67-T70 VanDerWaalsContact CB-OG1 3.31Å; D67-T70 WeakPolarHBondContact CB-OG1 3.43Å; D67-T70 PolarHBondContact OD1-N 3.04Å; T70-E72 PolarHBondContact O-N 3.34Å; T70-E72 WeakPolarHBondContact OG1-CB 3.28Å; T70-E72 PolarHBondContact OG1-N 3.02Å |
| 71 | G | 73.8 | Confident | 71.1 | Confident | 42 Ų | 42 | 101.5 Ų | 101.5 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | trans | 69.5 | 2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R66 D67 | R66-G71 WeakPolarHBondContact CD-O 3.39Å; D67-G71 WeakPolarHBondContact O-CA 3.43Å; D67-G71 PolarHBondContact O-N 3.33Å | ||
| 72 | E | 74.4 | Confident | 70.6 | Confident | 138 Ų | 138 | 105.5 Ų | 105.5 | 65% | 0.645 | 53% | 0.529 | S | S | * | . | trans | -72 | 155.8 | 177.9 | -66.2 | -176.3 | 157.4 | 0 | 0 | 110.7 | R66 D67 T70 A74 | R66-E72 CarbonylContact C-O 3.49Å; R66-E72 WeakPolarHBondContact CA-O 3.03Å; D67-E72 PolarHBondContact N-O 3.32Å; T70-E72 PolarHBondContact O-N 3.34Å; T70-E72 WeakPolarHBondContact OG1-CB 3.28Å; T70-E72 PolarHBondContact OG1-N 3.02Å; E72-A74 PolarHBondContact O-N 2.66Å; E72-A74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | V | 78.3 | Confident | 69.8 | Low | 69 Ų | 69 | 104 Ų | 104 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 109.8 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | V64 Y76 | V64-V73 HydrophobicContact CG1-CB 4.01Å; V64-V73 HydrophobicContact CG1-CG1 3.5Å; V64-V73 VanDerWaalsContact CG1-CG1 3.5Å; V64-V73 HydrophobicContact CG1-CG2 3.45Å; V64-V73 VanDerWaalsContact CG1-CG2 3.45Å; V73-Y76 HydrophobicContact CG1-CE1 3.99Å; V73-Y76 HydrophobicContact CG1-CE2 4.1Å |
| 74 | A | 73 | Confident | 68.7 | Low | 50 Ų | 50 | 104.7 Ų | 104.7 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -39.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V65 D67 E72 | V65-A74 PolarHBondContact O-N 2.73Å; D67-A74 HydrophobicContact CB-CB 4.29Å; E72-A74 PolarHBondContact O-N 2.66Å; E72-A74 VanDerWaalsContact O-N 3.11Å |
| 75 | N | 72.7 | Confident | 67.6 | Low | 112 Ų | 112 | 106.2 Ų | 106.2 | 60% | 0.599 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 165.3 | -177.7 | -84.3 | -47.5 | 0 | 0 | 0 | 111.8 | V65 | V65-N75 WeakPolarHBondContact CA-O 3.29Å; V65-N75 HydrophobicContact CB-CB 4.33Å; V65-N75 WeakPolarHBondContact CB-O 3.31Å; V65-N75 PolarHBondContact N-O 3.11Å; V65-N75 PolarHBondContact O-N 3.41Å |
| 76 | Y | 72.9 | Confident | 66.3 | Low | 158 Ų | 158 | 107.5 Ų | 107.5 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.3 | 167.6 | -57.3 | -85.9 | 0 | 0 | 0 | 108.7 | V62 V64 V73 | V62-Y76 HydrophobicContact CG1-CD1 3.85Å; V62-Y76 HydrophobicContact CG1-CG 4.27Å; V64-Y76 HydrophobicContact CG2-CD1 3.99Å; V64-Y76 HydrophobicContact CG2-CE1 3.91Å; V73-Y76 HydrophobicContact CG1-CE1 3.99Å; V73-Y76 HydrophobicContact CG1-CE2 4.1Å |
| 77 | R | 68.1 | Low | 64.8 | Low | 151 Ų | 151 | 102.9 Ų | 102.9 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.4 | 169.7 | 73.3 | -178.5 | -171 | -140.8 | -0.6 | 109.5 | K63 V65 | K63-R77 HydrophobicContact CB-CG 4.01Å; K63-R77 PolarHBondContact N-O 2.89Å; K63-R77 PolarHBondContact O-N 3.31Å; V65-R77 HydrophobicContact CG2-CG 4.26Å |
| 78 | E | 63.1 | Low | 63.9 | Low | 144 Ų | 144 | 102.3 Ų | 102.3 | 67% | 0.673 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 132.7 | 168.2 | -67.9 | 172.2 | -172.6 | 0 | 0 | 108.7 | L60 | L60-E78 HydrophobicContact CD1-CB 3.9Å; L60-E78 HydrophobicContact CD1-CG 4.42Å; L60-E78 HydrophobicContact CD2-CG 4.16Å; L60-E78 HydrophobicContact CG-CB 4.24Å; L60-E78 HydrophobicContact CG-CG 4.3Å |
| 79 | A | 62.6 | Low | 62.8 | Low | 19 Ų | 19 | 95.1 Ų | 95.1 | 16% | 0.157 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | E61 K63 E81 | E61-A79 PolarHBondContact N-O 3.36Å; E61-A79 PolarHBondContact O-N 3.05Å; E61-A79 VanDerWaalsContact O-O 3.11Å; K63-A79 HydrophobicContact CB-CB 4.44Å; K63-A79 HydrophobicContact CD-CB 3.51Å; K63-A79 HydrophobicContact CG-CB 3.83Å; A79-E81 PolarHBondContact O-N 3.09Å |
| 80 | I | 57.4 | Low | 62.3 | Low | 128 Ų | 128 | 90 Ų | 90 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.2 | 172.1 | -59.3 | 171.3 | 0 | 0 | 0 | 106.3 | D59 L60 | D59-I80 HydrophobicContact CB-CG2 3.97Å; D59-I80 VanDerWaalsContact O-CA 3.31Å; D59-I80 WeakPolarHBondContact O-CA 3.34Å; L60-I80 HydrophobicContact CD1-CG1 4.45Å |
| 81 | E | 60.9 | Low | 62 | Low | 67 Ų | 67 | 87.7 Ų | 87.7 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | trans | -99 | 94 | 168.5 | -173.8 | 133.8 | 169.9 | 0 | 0 | 107.2 | D59 E61 K63 A79 T83 | D59-E81 PolarHBondContact O-N 3.08Å; E61-E81 HydrophobicContact CB-CB 4.48Å; E61-E81 HydrophobicContact CG-CB 3.89Å; K63-E81 WeakPolarHBondContact CE-OE2 3.36Å; K63-E81 IonicContact NZ-OE2 3.58Å; K63-E81 PolarHBondContact NZ-OE2 3.2Å; A79-E81 PolarHBondContact O-N 3.09Å; E81-T83 HydrophobicContact CG-CG2 4.2Å; E81-T83 PolarHBondContact O-N 3.08Å | ||
| 82 | E | 54.8 | Low | 61.8 | Low | 168 Ų | 168 | 87.5 Ų | 87.5 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | trans | -76 | 80.2 | 175 | -164.3 | 179.9 | -171.7 | 0 | 0 | 107.9 | P84 | E82-P84 VanDerWaalsContact O-CD 3.29Å; E82-P84 WeakPolarHBondContact O-CD 3.46Å | ||
| 83 | T | 53.5 | Low | 61.9 | Low | 63 Ų | 63 | 87.8 Ų | 87.8 | 39% | 0.387 | 48% | 0.478 | S | S | . | . | trans | -77.7 | 111.4 | 159.9 | 44.5 | 0 | 0 | 0 | 0 | 106.9 | E81 D85 | E81-T83 HydrophobicContact CG-CG2 4.2Å; E81-T83 PolarHBondContact O-N 3.08Å; T83-D85 PolarHBondContact O-N 2.99Å | ||
| 84 | P | 51.4 | Low | 61.7 | Low | 81 Ų | 81 | 89 Ų | 89 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | trans | -62.4 | 118.8 | 178.6 | 25 | -32.4 | 0 | 0 | 0 | 108.1 | E82 T86 | E82-P84 VanDerWaalsContact O-CD 3.29Å; E82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-T86 HydrophobicContact CB-CG2 4.34Å; P84-T86 PolarHBondContact O-N 2.93Å; P84-T86 PolarHBondContact O-OG1 3.28Å; P84-T86 VanDerWaalsContact O-OG1 3.06Å | ||
| 85 | D | 50.4 | Low | 61.7 | Low | 103 Ų | 103 | 89.7 Ų | 89.7 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | trans | -66.8 | 63.5 | 167.6 | -80.9 | -35.3 | 0 | 0 | 0 | 110.4 | F57 T83 | F57-D85 WeakPolarHBondContact CD1-OD2 3.46Å; F57-D85 HydrophobicContact CE1-CB 3.94Å; F57-D85 WeakPolarHBondContact CE1-OD2 3.43Å; T83-D85 PolarHBondContact O-N 2.99Å | ||
| 86 | T | 46.7 | Very low | 61.6 | Low | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -108.2 | 160.5 | 169.3 | 43.6 | 0 | 0 | 0 | 0 | 106.4 | P84 S88 S89 | P84-T86 HydrophobicContact CB-CG2 4.34Å; P84-T86 PolarHBondContact O-N 2.93Å; P84-T86 PolarHBondContact O-OG1 3.28Å; P84-T86 VanDerWaalsContact O-OG1 3.06Å; T86-S88 CarbonylContact O-C 3.58Å; T86-S88 PolarHBondContact O-N 3.49Å; T86-S89 PolarHBondContact O-N 2.98Å |
| 87 | A | 47.3 | Very low | 61.7 | Low | 81 Ų | 81 | 92.6 Ų | 92.6 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -48.2 | -14.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V90 | A87-V90 PolarHBondContact O-N 3.49Å |
| 88 | S | 51.6 | Low | 61.8 | Low | 51 Ų | 51 | 89.1 Ų | 89.1 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 168 | -167 | 0 | 0 | 0 | 0 | 114.6 | T86 V90 L91 S92 | T86-S88 CarbonylContact O-C 3.58Å; T86-S88 PolarHBondContact O-N 3.49Å; S88-V90 VanDerWaalsContact C-N 3.28Å; S88-V90 PolarHBondContact O-N 2.87Å; S88-L91 PolarHBondContact O-N 2.98Å; S88-S92 PolarHBondContact O-N 3.45Å |
| 89 | S | 56.3 | Low | 62.4 | Low | 36 Ų | 36 | 88.2 Ų | 88.2 | 25% | 0.252 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | T86 L91 S92 R95 | T86-S89 PolarHBondContact O-N 2.98Å; S89-L91 PolarHBondContact O-N 3.5Å; S89-S92 WeakPolarHBondContact O-CB 3.4Å; S89-S92 PolarHBondContact O-N 3.41Å; S89-R95 WeakPolarHBondContact O-CB 3.5Å |
| 90 | V | 64.6 | Low | 62.9 | Low | 62 Ų | 62 | 93.9 Ų | 93.9 | 38% | 0.376 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -26.6 | -179.5 | -169.2 | 0 | 0 | 0 | 0 | 112.9 | A87 S88 R95 I111 | A87-V90 PolarHBondContact O-N 3.49Å; S88-V90 VanDerWaalsContact C-N 3.28Å; S88-V90 PolarHBondContact O-N 2.87Å; V90-R95 WeakPolarHBondContact O-CD 3.34Å; V90-R95 PolarHBondContact O-NH1 2.94Å; V90-I111 HydrophobicContact CB-CD1 4.45Å; V90-I111 HydrophobicContact CG1-CB 3.94Å; V90-I111 HydrophobicContact CG1-CD1 3.53Å; V90-I111 HydrophobicContact CG1-CG1 4.25Å; V90-I111 HydrophobicContact CG1-CG2 4.25Å |
| 91 | L | 69.1 | Low | 63.4 | Low | 39 Ų | 39 | 90.2 Ų | 90.2 | 20% | 0.204 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -11.4 | 175.2 | -62 | 175.3 | 0 | 0 | 0 | 113.2 | S88 S89 I111 P112 M114 | S88-L91 PolarHBondContact O-N 2.98Å; S89-L91 PolarHBondContact O-N 3.5Å; L91-I111 HydrophobicContact CD2-CG2 3.33Å; L91-I111 HydrophobicContact CG-CG2 4.36Å; L91-P112 WeakPolarHBondContact CD2-O 3.46Å; L91-M114 HydrophobicContact CB-CB 4.24Å; L91-M114 PolarHBondContact O-N 2.9Å |
| 92 | S | 69.8 | Low | 63.7 | Low | 37 Ų | 37 | 91 Ų | 91 | 26% | 0.259 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -68.8 | 146.4 | -175.3 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | S88 S89 S94 R95 F113 | S88-S92 PolarHBondContact O-N 3.45Å; S89-S92 WeakPolarHBondContact O-CB 3.4Å; S89-S92 PolarHBondContact O-N 3.41Å; S92-S94 PolarHBondContact O-N 3.42Å; S92-S94 PolarHBondContact OG-N 2.87Å; S92-S94 VanDerWaalsContact OG-N 3.11Å; S92-S94 PolarHBondContact OG-OG 3.05Å; S92-R95 WeakPolarHBondContact O-CB 3.46Å; S92-R95 WeakPolarHBondContact O-CG 3.5Å; S92-R95 PolarHBondContact O-N 2.72Å; S92-F113 WeakPolarHBondContact O-CD1 3.32Å |
| 93 | L | 76.4 | Confident | 64.2 | Low | 144 Ų | 144 | 91.6 Ų | 91.6 | 75% | 0.754 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.3 | 168 | -70.6 | 169.8 | 0 | 0 | 0 | 112.1 | R95 F113 | L93-R95 VanDerWaalsContact C-N 3.32Å; L93-F113 HydrophobicContact CD2-CB 4.25Å; L93-F113 HydrophobicContact CD2-CD1 3.86Å; L93-F113 HydrophobicContact CD2-CE1 4.33Å; L93-F113 HydrophobicContact CD2-CG 4.03Å |
| 94 | S | 73.6 | Confident | 64.6 | Low | 95 Ų | 95 | 97.9 Ų | 97.9 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.5 | 177.8 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | S92 | S92-S94 PolarHBondContact O-N 3.42Å; S92-S94 PolarHBondContact OG-N 2.87Å; S92-S94 VanDerWaalsContact OG-N 3.11Å; S92-S94 PolarHBondContact OG-OG 3.05Å |
| 95 | R | 72.2 | Confident | 65.1 | Low | 65 Ų | 65 | 99.5 Ų | 99.5 | 25% | 0.245 | 55% | 0.55 | C | S | . | . | S | Bend | trans | -60.6 | 148.6 | 177.9 | 75.2 | -173.2 | -178.5 | -178.2 | -1.9 | 111 | S89 V90 S92 L93 I97 I111 F113 | S89-R95 WeakPolarHBondContact O-CB 3.5Å; V90-R95 WeakPolarHBondContact O-CD 3.34Å; V90-R95 PolarHBondContact O-NH1 2.94Å; S92-R95 WeakPolarHBondContact O-CB 3.46Å; S92-R95 WeakPolarHBondContact O-CG 3.5Å; S92-R95 PolarHBondContact O-N 2.72Å; L93-R95 VanDerWaalsContact C-N 3.32Å; R95-I97 PolarHBondContact O-N 3.12Å; R95-I111 PolarHBondContact NH1-O 3.1Å; R95-I111 PolarHBondContact NH2-O 3.39Å; R95-F113 HydrophobicContact CG-CE1 4.12Å |
| 96 | E | 71.6 | Confident | 65.7 | Low | 186 Ų | 186 | 96.4 Ų | 96.4 | 87% | 0.869 | 54% | 0.542 | S | S | * | . | trans | -56.6 | 137.7 | 177.2 | -170.7 | 174.4 | -168.5 | 0 | 0 | 111.4 | N98 | E96-N98 PolarHBondContact O-N 2.74Š| ||
| 97 | I | 74.5 | Confident | 66.5 | Low | 144 Ų | 144 | 96.4 Ų | 96.4 | 74% | 0.738 | 54% | 0.538 | S | S | * | . | trans | -77 | 110.6 | 177.7 | -60.4 | 174.3 | 0 | 0 | 0 | 107.8 | R95 T99 | R95-I97 PolarHBondContact O-N 3.12Å; I97-T99 PolarHBondContact O-N 2.69Å; I97-T99 VanDerWaalsContact O-N 3.11Å | ||
| 98 | N | 70.8 | Confident | 67 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | trans | -66.3 | 112 | 167.8 | 179.8 | -19.8 | 0 | 0 | 0 | 108.9 | E96 D100 N101 | E96-N98 PolarHBondContact O-N 2.74Å; N98-D100 PolarHBondContact O-N 3.43Å; N98-D100 WeakPolarHBondContact OD1-CB 3.5Å; N98-D100 PolarHBondContact OD1-N 3.13Å; N98-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact O-N 3.48Å | ||
| 99 | T | 74.5 | Confident | 67.6 | Low | 125 Ų | 125 | 100 Ų | 100 | 77% | 0.767 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -17 | -176 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | I97 | I97-T99 PolarHBondContact O-N 2.69Å; I97-T99 VanDerWaalsContact O-N 3.11Å |
| 100 | D | 73.2 | Confident | 68 | Low | 139 Ų | 139 | 100.1 Ų | 100.1 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -9.9 | 180 | -58 | -26.9 | 0 | 0 | 0 | 112.3 | N98 | N98-D100 PolarHBondContact O-N 3.43Å; N98-D100 WeakPolarHBondContact OD1-CB 3.5Å; N98-D100 PolarHBondContact OD1-N 3.13Å |
| 101 | N | 67.6 | Low | 68.3 | Low | 50 Ų | 50 | 101.4 Ų | 101.4 | 27% | 0.267 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -73.3 | 137.2 | 177.9 | -74.5 | -12.8 | 0 | 0 | 0 | 111.7 | N98 Q103 I107 | N98-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact O-N 3.48Å; N101-Q103 PolarHBondContact O-N 3.14Å; N101-Q103 VanDerWaalsContact O-N 3.1Å; N101-I107 WeakPolarHBondContact OD1-CD1 3.41Å; N101-I107 WeakPolarHBondContact OD1-CG1 3.38Å; N101-I107 WeakPolarHBondContact OD1-CG2 3.43Å |
| 102 | V | 67.2 | Low | 68.5 | Low | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | trans | -68.4 | 110.5 | 167.4 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | F104 T105 G106 | V102-F104 PolarHBondContact O-N 3.31Å; V102-T105 VanDerWaalsContact CB-OG1 3.28Å; V102-T105 WeakPolarHBondContact CB-OG1 3.37Å; V102-T105 HydrophobicContact CG1-CG2 4.44Å; V102-T105 WeakPolarHBondContact CG1-OG1 3.45Å; V102-T105 PolarHBondContact O-N 3.03Å; V102-G106 WeakPolarHBondContact O-CA 3.48Å; V102-G106 PolarHBondContact O-N 3.25Å | ||
| 103 | Q | 65.1 | Low | 69 | Low | 180 Ų | 180 | 107.2 Ų | 107.2 | 84% | 0.841 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -30.8 | -169.1 | -67.4 | -178.2 | -3.5 | 0 | 0 | 115 | N101 | N101-Q103 PolarHBondContact O-N 3.14Å; N101-Q103 VanDerWaalsContact O-N 3.1Å |
| 104 | F | 62.4 | Low | 68.9 | Low | 194 Ų | 194 | 104.2 Ų | 104.2 | 85% | 0.851 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -36.2 | -175.4 | -73 | -80.8 | 0 | 0 | 0 | 114.5 | V102 | V102-F104 PolarHBondContact O-N 3.31Š|
| 105 | T | 63 | Low | 69 | Low | 116 Ų | 116 | 102 Ų | 102 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -15 | -176.8 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | V102 | V102-T105 VanDerWaalsContact CB-OG1 3.28Å; V102-T105 WeakPolarHBondContact CB-OG1 3.37Å; V102-T105 HydrophobicContact CG1-CG2 4.44Å; V102-T105 WeakPolarHBondContact CG1-OG1 3.45Å; V102-T105 PolarHBondContact O-N 3.03Å |
| 106 | G | 62.7 | Low | 69 | Low | 37 Ų | 37 | 102.9 Ų | 102.9 | 38% | 0.381 | 60% | 0.604 | S | S | . | * | trans | 62.3 | -167.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V102 | V102-G106 WeakPolarHBondContact O-CA 3.48Å; V102-G106 PolarHBondContact O-N 3.25Å | ||
| 107 | I | 63.6 | Low | 68.8 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 41% | 0.41 | 61% | 0.606 | S | S | . | * | trans | -115.3 | 144.9 | 169.2 | 53.2 | 160.8 | 0 | 0 | 0 | 108.1 | N101 G109 G110 | N101-I107 WeakPolarHBondContact OD1-CD1 3.41Å; N101-I107 WeakPolarHBondContact OD1-CG1 3.38Å; N101-I107 WeakPolarHBondContact OD1-CG2 3.43Å; I107-G109 PolarHBondContact O-N 3.19Å; I107-G110 PolarHBondContact O-N 2.98Å | ||
| 108 | S | 56.8 | Low | 68.2 | Low | 144 Ų | 144 | 103.4 Ų | 103.4 | 100% | 1.007 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -9.9 | -180 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 109 | G | 64.8 | Low | 67.7 | Low | 64 Ų | 64 | 110 Ų | 110 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 1.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I107 | I107-G109 PolarHBondContact O-N 3.19Š|
| 110 | G | 65.3 | Low | 67 | Low | 39 Ų | 39 | 108.8 Ų | 108.8 | 40% | 0.402 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -77 | 125.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | I107 | I107-G110 PolarHBondContact O-N 2.98Š|
| 111 | I | 70.5 | Confident | 66.1 | Low | 88 Ų | 88 | 107.8 Ų | 107.8 | 45% | 0.451 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 134.8 | 172.9 | -64.5 | 168.3 | 0 | 0 | 0 | 108.3 | V90 L91 R95 | V90-I111 HydrophobicContact CB-CD1 4.45Å; V90-I111 HydrophobicContact CG1-CB 3.94Å; V90-I111 HydrophobicContact CG1-CD1 3.53Å; V90-I111 HydrophobicContact CG1-CG1 4.25Å; V90-I111 HydrophobicContact CG1-CG2 4.25Å; L91-I111 HydrophobicContact CD2-CG2 3.33Å; L91-I111 HydrophobicContact CG-CG2 4.36Å; R95-I111 PolarHBondContact NH1-O 3.1Å; R95-I111 PolarHBondContact NH2-O 3.39Å |
| 112 | P | 73.5 | Confident | 65.5 | Low | 96 Ų | 96 | 107.8 Ų | 107.8 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 161.9 | -179.5 | 29.3 | -35.7 | 0 | 0 | 0 | 112.4 | L91 | L91-P112 WeakPolarHBondContact CD2-O 3.46Š|
| 113 | F | 79 | Confident | 64.5 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 45% | 0.452 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 154.6 | 171.8 | -65.3 | -73.4 | 0 | 0 | 0 | 111.9 | S92 L93 R95 | S92-F113 WeakPolarHBondContact O-CD1 3.32Å; L93-F113 HydrophobicContact CD2-CB 4.25Å; L93-F113 HydrophobicContact CD2-CD1 3.86Å; L93-F113 HydrophobicContact CD2-CE1 4.33Å; L93-F113 HydrophobicContact CD2-CG 4.03Å; R95-F113 HydrophobicContact CG-CE1 4.12Å |
| 114 | M | 74.8 | Confident | 63 | Low | 80 Ų | 80 | 116.4 Ų | 116.4 | 39% | 0.394 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 127.9 | 175.7 | -167 | 165.8 | 62.8 | 0 | 0 | 111.1 | L91 I125 | L91-M114 HydrophobicContact CB-CB 4.24Å; L91-M114 PolarHBondContact O-N 2.9Å; M114-I125 HydrophobicContact CE-CG2 3.97Å; M114-I125 HydrophobicContact SD-CD1 3.58Å; M114-I125 VanDerWaalsContact SD-CD1 3.58Å; M114-I125 HydrophobicContact SD-CG2 4.21Å |
| 115 | P | 75.7 | Confident | 62 | Low | 48 Ų | 48 | 110.9 Ų | 110.9 | 31% | 0.312 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 136 | 175.5 | 29.5 | -32 | 0 | 0 | 0 | 109.9 | Q117 E118 M120 | P115-Q117 VanDerWaalsContact C-N 3.27Å; P115-Q117 PolarHBondContact O-N 3.44Å; P115-E118 HydrophobicContact CB-CB 4.46Å; P115-E118 HydrophobicContact CG-CB 4.04Å; P115-M120 HydrophobicContact CG-CE 3.62Å |
| 116 | G | 73.1 | Confident | 60.8 | Low | 85 Ų | 85 | 110.6 Ų | 110.6 | 88% | 0.876 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -70.3 | -13.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 117 | Q | 66.8 | Low | 59.8 | Low | 192 Ų | 192 | 113.3 Ų | 113.3 | 90% | 0.897 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -132.4 | -7.1 | -170 | -64.8 | -172 | -26.4 | 0 | 0 | 114.9 | P115 | P115-Q117 VanDerWaalsContact C-N 3.27Å; P115-Q117 PolarHBondContact O-N 3.44Å |
| 118 | E | 62.8 | Low | 58.7 | Low | 149 Ų | 149 | 116.5 Ų | 116.5 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | trans | -92.7 | 125.5 | -179.7 | -70.4 | -171.3 | 158 | 0 | 0 | 110.9 | P115 M120 | P115-E118 HydrophobicContact CB-CB 4.46Å; P115-E118 HydrophobicContact CG-CB 4.04Å; E118-M120 PolarHBondContact O-N 3.46Å | ||
| 119 | K | 58.9 | Low | 57.7 | Low | 216 Ų | 216 | 116.8 Ų | 116.8 | 94% | 0.939 | 65% | 0.653 | S | S | * | * | trans | -70.7 | 94.3 | 170.4 | -69.2 | -178.8 | -179.1 | 177.2 | 0 | 108.5 | ||||
| 120 | M | 60.6 | Low | 56.2 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 49% | 0.488 | 66% | 0.661 | S | S | . | * | trans | -67.5 | 142.4 | 170.2 | -69.2 | -140.3 | -156.5 | 0 | 0 | 110.7 | P115 E118 G122 | P115-M120 HydrophobicContact CG-CE 3.62Å; E118-M120 PolarHBondContact O-N 3.46Å; M120-G122 PolarHBondContact O-N 3.18Å | ||
| 121 | A | 54.5 | Low | 54.6 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 98% | 0.983 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -72.8 | 78.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 122 | G | 54.2 | Low | 53.2 | Low | 49 Ų | 49 | 125.7 Ų | 125.7 | 51% | 0.505 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -152.7 | 145.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | M120 R124 | M120-G122 PolarHBondContact O-N 3.18Å; G122-R124 PolarHBondContact O-N 3.06Å; G122-R124 VanDerWaalsContact O-N 3.14Å |
| 123 | K | 45.4 | Very low | 51.3 | Low | 206 Ų | 206 | 128.3 Ų | 128.3 | 90% | 0.896 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -43.1 | 122.5 | -177.8 | -69.4 | 173.1 | 179.2 | 174.2 | 0 | 110.1 | I125 | K123-I125 PolarHBondContact O-N 3.07Š|
| 124 | R | 34.3 | Very low | 49.2 | Very low | 241 Ų | 241 | 127.8 Ų | 127.8 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | -11.6 | 92.7 | 178.6 | -80.2 | 179.6 | 172.1 | 174.7 | -2.7 | 113.3 | G122 V126 | G122-R124 PolarHBondContact O-N 3.06Å; G122-R124 VanDerWaalsContact O-N 3.14Å; R124-V126 PolarHBondContact O-N 3.44Å; R124-V126 VanDerWaalsContact O-N 3.12Å | ||
| 125 | I | 42.7 | Very low | 47.2 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 40% | 0.395 | 71% | 0.709 | S | S | . | * | trans | -75.4 | 101.3 | 161.9 | -56.9 | 175.7 | 0 | 0 | 0 | 104.6 | M114 K123 P127 | M114-I125 HydrophobicContact CE-CG2 3.97Å; M114-I125 HydrophobicContact SD-CD1 3.58Å; M114-I125 VanDerWaalsContact SD-CD1 3.58Å; M114-I125 HydrophobicContact SD-CG2 4.21Å; K123-I125 PolarHBondContact O-N 3.07Å; I125-P127 WeakPolarHBondContact O-CD 3.42Å | ||
| 126 | V | 37.3 | Very low | 45.2 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | trans | -64.3 | 121.1 | 168.3 | -179.9 | 0 | 0 | 0 | 0 | 105.1 | R124 L128 | R124-V126 PolarHBondContact O-N 3.44Å; R124-V126 VanDerWaalsContact O-N 3.12Å; V126-L128 PolarHBondContact O-N 3.47Å | ||
| 127 | P | 42.1 | Very low | 43.4 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | trans | -61 | 114.1 | 167.7 | 4.7 | 4.7 | 0 | 0 | 0 | 105.6 | I125 L129 | I125-P127 WeakPolarHBondContact O-CD 3.42Å; P127-L129 PolarHBondContact O-N 2.96Å | ||
| 128 | L | 38.9 | Very low | 41.8 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -64.1 | 80.3 | 158.2 | -78 | 165.2 | 0 | 0 | 0 | 105.7 | V126 L130 | V126-L128 PolarHBondContact O-N 3.47Å; L128-L130 PolarHBondContact O-N 3.38Å | ||
| 129 | L | 35.6 | Very low | 40.6 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | -57.2 | 94.3 | 153.1 | -95 | 148.5 | 0 | 0 | 0 | 104.2 | P127 N131 | P127-L129 PolarHBondContact O-N 2.96Å; L129-N131 PolarHBondContact O-N 3.36Å | ||
| 130 | L | 34.6 | Very low | 39.6 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -50 | 96.3 | 158.5 | -96.2 | 84.9 | 0 | 0 | 0 | 105.5 | L128 P132 | L128-L130 PolarHBondContact O-N 3.38Å; L130-P132 WeakPolarHBondContact O-CD 3.5Å | ||
| 131 | N | 32.2 | Very low | 38.6 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 56% | 0.556 | 74% | 0.735 | S | S | * | * | trans | -91 | 104.8 | 170.7 | -155 | 0.4 | 0 | 0 | 0 | 104.4 | L129 H133 S134 | L129-N131 PolarHBondContact O-N 3.36Å; N131-H133 PolarHBondContact O-N 2.97Å; N131-S134 PolarHBondContact O-N 2.94Å | ||
| 132 | P | 41.1 | Very low | 38.1 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 0.6 | 178.3 | 25.4 | -32.8 | 0 | 0 | 0 | 113 | L130 | L130-P132 WeakPolarHBondContact O-CD 3.5Š|
| 133 | H | 33.6 | Very low | 37.3 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 21.5 | -178.7 | -69.2 | -75.4 | 0 | 0 | 0 | 114.5 | N131 T135 | N131-H133 PolarHBondContact O-N 2.97Å; H133-T135 PolarHBondContact O-N 2.93Å; H133-T135 PolarHBondContact O-OG1 3.21Å |
| 134 | S | 34.4 | Very low | 37.1 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -73.2 | 77.5 | 172.8 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | N131 F136 | N131-S134 PolarHBondContact O-N 2.94Å; S134-F136 PolarHBondContact O-N 3.26Å | ||
| 135 | T | 33.3 | Very low | 37.2 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | 8 | 107.4 | 136.4 | 23.3 | 0 | 0 | 0 | 0 | 116.2 | H133 | H133-T135 PolarHBondContact O-N 2.93Å; H133-T135 PolarHBondContact O-OG1 3.21Å | ||
| 136 | F | 32.8 | Very low | 36.8 | Very low | 181 Ų | 181 | 137 Ų | 137 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 44.6 | 89.5 | 135.6 | -66 | -91.5 | 0 | 0 | 0 | 117.3 | S134 K138 | S134-F136 PolarHBondContact O-N 3.26Å; F136-K138 PolarHBondContact O-N 3.01Å | ||
| 137 | F | 34.6 | Very low | 36.5 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | -71.9 | 88.4 | 135.6 | -79.3 | -78.2 | 0 | 0 | 0 | 107.1 | L139 | F137-L139 PolarHBondContact O-N 3.33Š| ||
| 138 | K | 34.3 | Very low | 36.1 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -64.3 | 91.1 | 163.8 | -158.3 | 175.1 | -170.1 | 178.1 | 0 | 105.7 | F136 | F136-K138 PolarHBondContact O-N 3.01Š| ||
| 139 | L | 36.7 | Very low | 36 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 131.5 | 166.6 | -79.5 | 162.8 | 0 | 0 | 0 | 106.6 | F137 | F137-L139 PolarHBondContact O-N 3.33Š|
| 140 | P | 37.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 137.6 | 174.7 | 22.6 | -31.3 | 0 | 0 | 0 | 107.8 | Q142 | P140-Q142 PolarHBondContact O-N 3.46Å; P140-Q142 VanDerWaalsContact O-N 3.15Å |
| 141 | P | 41.3 | Very low | 36.1 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 128.2 | 178.3 | 21.3 | -31.3 | 0 | 0 | 0 | 108.2 | ||
| 142 | Q | 44.1 | Very low | 36.2 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -51 | 132.1 | 175 | -83.7 | -157.3 | 7.3 | 0 | 0 | 108.5 | P140 T144 | P140-Q142 PolarHBondContact O-N 3.46Å; P140-Q142 VanDerWaalsContact O-N 3.15Å; Q142-T144 PolarHBondContact O-N 3.44Å |
| 143 | P | 36.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 112.6 | 177.3 | 25.1 | -30.1 | 0 | 0 | 0 | 108.2 | E145 | P143-E145 PolarHBondContact O-N 3.46Š| ||
| 144 | T | 41.9 | Very low | 36.1 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -48.8 | 128.2 | 167.3 | -47.5 | 0 | 0 | 0 | 0 | 108.6 | Q142 G146 | Q142-T144 PolarHBondContact O-N 3.44Å; T144-G146 PolarHBondContact O-N 2.9Å; T144-G146 VanDerWaalsContact O-N 3.11Å | ||
| 145 | E | 35.2 | Very low | 35.9 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -38.1 | 114.6 | 176.4 | -62 | 178.8 | 150.6 | 0 | 0 | 111.4 | P143 | P143-E145 PolarHBondContact O-N 3.46Š|
| 146 | G | 33.6 | Very low | 36 | Very low | 68 Ų | 68 | 153.1 Ų | 153.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 175 | 85.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T144 | T144-G146 PolarHBondContact O-N 2.9Å; T144-G146 VanDerWaalsContact O-N 3.11Å | ||
| 147 | R | 31.5 | Very low | 35.9 | Very low | 205 Ų | 205 | 156 Ų | 156 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | 74.5 | 88.4 | 151.4 | -154.3 | 176.9 | -161.6 | 172.2 | 5.8 | 116.6 | R149 | R147-R149 PolarHBondContact O-N 2.91Š| ||
| 148 | I | 33.5 | Very low | 36 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -57.7 | 116.1 | 160.7 | -58.1 | 168.7 | 0 | 0 | 0 | 108.8 | T150 | I148-T150 HydrophobicContact CG2-CG2 4.06Š| ||
| 149 | R | 36.9 | Very low | 36.2 | Very low | 200 Ų | 200 | 151.3 Ų | 151.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -116.7 | 106 | 158.9 | -81.8 | -172.8 | 170.1 | -165 | -2.4 | 107.4 | R147 | R147-R149 PolarHBondContact O-N 2.91Š| ||
| 150 | T | 33.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -70.7 | 124.3 | 171.3 | 45.8 | 0 | 0 | 0 | 0 | 110 | I148 | I148-T150 HydrophobicContact CG2-CG2 4.06Š| ||
| 151 | T | 40.4 | Very low | 35.8 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -131.5 | 132.2 | 153.6 | 41.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 152 | P | 34.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -76.5 | 169.6 | 175.3 | 36.3 | -32.6 | 0 | 0 | 0 | 109.2 | ||||
| 153 | D | 32.5 | Very low | 35.2 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 96.1 | 88.5 | 173.5 | -51.6 | -23.6 | 0 | 0 | 0 | 115.6 | ||||
| 154 | S | 39.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -168.6 | 92.3 | 142.4 | 167.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 155 | L | 30.1 | Very low | 35 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -62 | 119.8 | 165.6 | -71.3 | 152.6 | 0 | 0 | 0 | 110.9 | ||||
| 156 | Y | 36.2 | Very low | 35.1 | Very low | 215 Ų | 215 | 154.3 Ų | 154.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -142 | 110.5 | 148.5 | -80.2 | -78.3 | 0 | 0 | 0 | 109.6 | ||||
| 157 | R | 30.9 | Very low | 35.1 | Very low | 242 Ų | 242 | 159.9 Ų | 159.9 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -79.9 | 127.5 | 164.8 | -72.3 | -177.3 | 174.9 | -159.8 | -1.3 | 108 | ||||
| 158 | V | 36.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 156 Ų | 156 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -135.4 | 139.8 | 153.9 | 179.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 159 | D | 37.9 | Very low | 35.2 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -54.8 | 133.9 | -160.8 | -58 | -66.7 | 0 | 0 | 0 | 115.9 | ||||
| 160 | G | 31.2 | Very low | 35.3 | Very low | 72 Ų | 72 | 152.4 Ų | 152.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | 87.4 | 43.8 | 120.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 161 | I | 34.3 | Very low | 35.4 | Very low | 147 Ų | 147 | 153 Ų | 153 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -148.5 | 118.9 | 151.6 | -53.3 | -179.9 | 0 | 0 | 0 | 109.7 | K163 | I161-K163 PolarHBondContact O-N 3.29Å; I161-K163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | P | 33.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -76.6 | 98.2 | 173.3 | 29.9 | -28.8 | 0 | 0 | 0 | 109.6 | R164 | P162-R164 PolarHBondContact O-N 2.9Š| ||
| 163 | K | 40.4 | Very low | 35.8 | Very low | 171 Ų | 171 | 154 Ų | 154 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -67 | 98 | 164.9 | -75.6 | -173.1 | 177.1 | -175.7 | 0 | 108.8 | I161 F165 | I161-K163 PolarHBondContact O-N 3.29Å; I161-K163 VanDerWaalsContact O-N 3.08Å; K163-F165 VanDerWaalsContact C-N 3.26Å; K163-F165 HydrophobicContact CB-CD2 4.15Å; K163-F165 HydrophobicContact CB-CE2 4.25Å; K163-F165 HydrophobicContact CD-CE2 4.35Å; K163-F165 PolarHBondContact O-N 3.04Å | ||
| 164 | R | 37.5 | Very low | 35.8 | Very low | 235 Ų | 235 | 149.8 Ų | 149.8 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -63.4 | 93.1 | 157.9 | -86.3 | -175.3 | 167.4 | -171.2 | -2.5 | 107.6 | P162 I166 | P162-R164 PolarHBondContact O-N 2.9Å; R164-I166 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 3.02Å | ||
| 165 | F | 36 | Very low | 35.9 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -65.5 | 96.7 | 160 | -90.7 | -95.7 | 0 | 0 | 0 | 107.6 | K163 Q167 | K163-F165 VanDerWaalsContact C-N 3.26Å; K163-F165 HydrophobicContact CB-CD2 4.15Å; K163-F165 HydrophobicContact CB-CE2 4.25Å; K163-F165 HydrophobicContact CD-CE2 4.35Å; K163-F165 PolarHBondContact O-N 3.04Å; F165-Q167 PolarHBondContact O-N 3.28Å | ||
| 166 | I | 37.5 | Very low | 36.4 | Very low | 135 Ų | 135 | 153 Ų | 153 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -80.6 | 98.2 | 160.1 | -60.3 | 178.5 | 0 | 0 | 0 | 105.6 | R164 T168 | R164-I166 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 3.02Å; I166-T168 VanDerWaalsContact C-N 3.27Å; I166-T168 PolarHBondContact O-N 3.29Å; I166-T168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | Q | 33.2 | Very low | 36.8 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 82.1 | 169.4 | -169 | 168.5 | 23.4 | 0 | 0 | 107.7 | F165 R169 | F165-Q167 PolarHBondContact O-N 3.28Å; Q167-R169 PolarHBondContact O-N 3.4Å; Q167-R169 VanDerWaalsContact O-N 3.09Å | ||
| 168 | T | 36.9 | Very low | 37.6 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -76.9 | 99 | 171.5 | -11.9 | 0 | 0 | 0 | 0 | 108.4 | I166 A170 | I166-T168 VanDerWaalsContact C-N 3.27Å; I166-T168 PolarHBondContact O-N 3.29Å; I166-T168 VanDerWaalsContact O-N 3.08Å; T168-A170 PolarHBondContact O-N 3.24Å | ||
| 169 | R | 31.2 | Very low | 37.8 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | -56.4 | 95.5 | 169 | -179.9 | -178.2 | -174.9 | 175.8 | -0.5 | 110 | Q167 Q171 | Q167-R169 PolarHBondContact O-N 3.4Å; Q167-R169 VanDerWaalsContact O-N 3.09Å; R169-Q171 HydrophobicContact CG-CG 4.01Å; R169-Q171 PolarHBondContact O-N 2.97Å | ||
| 170 | A | 38.3 | Very low | 38.3 | Very low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -82.4 | 93.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108 | T168 T172 | T168-A170 PolarHBondContact O-N 3.24Å; A170-T172 PolarHBondContact O-N 3.11Å | ||
| 171 | Q | 35.1 | Very low | 39 | Very low | 140 Ų | 140 | 151 Ų | 151 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 104.9 | 160.6 | -82.9 | 178.3 | -42.7 | 0 | 0 | 107.7 | R169 | R169-Q171 HydrophobicContact CG-CG 4.01Å; R169-Q171 PolarHBondContact O-N 2.97Å | ||
| 172 | T | 41.2 | Very low | 39.2 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -118.8 | 91.7 | 153.9 | 48.9 | 0 | 0 | 0 | 0 | 106.9 | A170 G174 | A170-T172 PolarHBondContact O-N 3.11Å; T172-G174 PolarHBondContact O-N 3.46Å | ||
| 173 | T | 42.2 | Very low | 39.6 | Very low | 132 Ų | 132 | 152.8 Ų | 152.8 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -46.8 | 121.2 | 160.5 | 16 | 0 | 0 | 0 | 0 | 108.8 | D175 | T173-D175 PolarHBondContact O-N 2.89Š| ||
| 174 | G | 33.3 | Very low | 39.8 | Very low | 69 Ų | 69 | 152.8 Ų | 152.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 127.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | T172 | T172-G174 PolarHBondContact O-N 3.46Š| ||
| 175 | D | 41.3 | Very low | 40.2 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -151.3 | 113.1 | 149 | -93.5 | -28.4 | 0 | 0 | 0 | 106.9 | T173 | T173-D175 PolarHBondContact O-N 2.89Š| ||
| 176 | E | 39.2 | Very low | 40.7 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 31.2 | 104 | 151 | -62 | -176.4 | 144.6 | 0 | 0 | 118.9 | ||||
| 177 | M | 44.4 | Very low | 41.2 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 127.3 | 153.1 | -81.9 | -163.6 | -74.7 | 0 | 0 | 110.1 | ||||
| 178 | P | 47.6 | Very low | 41.9 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | trans | -78.5 | 155.9 | 171.1 | 32.5 | -31.8 | 0 | 0 | 0 | 110.9 | M180 | P178-M180 PolarHBondContact O-N 3.35Š| ||
| 179 | P | 42.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 112.8 | -178 | 30 | -31.9 | 0 | 0 | 0 | 110 | Q181 | P179-Q181 PolarHBondContact O-N 2.98Š| ||
| 180 | M | 48.1 | Very low | 42.8 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 113.1 | 169.2 | -80.6 | -158.5 | -75.8 | 0 | 0 | 109.9 | P178 | P178-M180 PolarHBondContact O-N 3.35Š| ||
| 181 | Q | 45.5 | Very low | 43.1 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 140.7 | 176.7 | -67.6 | 173.2 | -9.9 | 0 | 0 | 111.2 | P179 T183 | P179-Q181 PolarHBondContact O-N 2.98Å; Q181-T183 PolarHBondContact O-N 2.94Å | ||
| 182 | H | 38.3 | Very low | 44 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | trans | -57 | 129.9 | 166.2 | -80 | -82.2 | 0 | 0 | 0 | 111.1 | ||||
| 183 | T | 42.5 | Very low | 44.7 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -137 | 107.7 | 149.5 | -57.4 | 0 | 0 | 0 | 0 | 106.4 | Q181 | Q181-T183 PolarHBondContact O-N 2.94Š| ||
| 184 | M | 44 | Very low | 45.2 | Very low | 170 Ų | 170 | 156.4 Ų | 156.4 | 84% | 0.837 | 84% | 0.836 | S | S | * | * | trans | -75.9 | 121.4 | 172 | -74.8 | -140.4 | -117.1 | 0 | 0 | 108.8 | ||||
| 185 | D | 46.5 | Very low | 45.8 | Very low | 149 Ų | 149 | 160.8 Ų | 160.8 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | trans | -111.7 | 112.8 | 159.5 | -108.3 | -30.9 | 0 | 0 | 0 | 108.3 | Q187 | D185-Q187 PolarHBondContact O-N 3.21Š| ||
| 186 | P | 45.4 | Very low | 46.1 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 75% | 0.747 | 85% | 0.845 | S | S | * | * | trans | -97 | 81 | 177.5 | 36 | -27.6 | 0 | 0 | 0 | 109.1 | ||||
| 187 | Q | 48.6 | Very low | 46.5 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | trans | -140.8 | 97.5 | 163.2 | -69 | -168.9 | -2.9 | 0 | 0 | 107.1 | D185 | D185-Q187 PolarHBondContact O-N 3.21Š| ||
| 188 | H | 47 | Very low | 46.6 | Very low | 196 Ų | 196 | 158.5 Ų | 158.5 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | trans | 170.8 | 60.8 | 151.6 | -93.6 | 68 | 0 | 0 | 0 | 107.2 | ||||
| 189 | A | 43.2 | Very low | 46.5 | Very low | 115 Ų | 115 | 161.8 Ų | 161.8 | 95% | 0.95 | 85% | 0.848 | S | S | * | * | trans | -88.6 | 98.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 190 | G | 44.7 | Very low | 46.8 | Very low | 65 Ų | 65 | 164.4 Ų | 164.4 | 67% | 0.67 | 85% | 0.852 | S | S | * | * | trans | -144.3 | 124.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 191 | N | 44.8 | Very low | 46.7 | Very low | 148 Ų | 148 | 162.8 Ų | 162.8 | 79% | 0.791 | 85% | 0.847 | S | S | * | * | trans | 80 | 78.2 | 171.3 | -63.6 | -5.2 | 0 | 0 | 0 | 117.9 | ||||
| 192 | Y | 53 | Low | 46.8 | Very low | 239 Ų | 239 | 161.6 Ų | 161.6 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | trans | -100.2 | 125.2 | 133.1 | -83.1 | -90.8 | 0 | 0 | 0 | 107.8 | ||||
| 193 | I | 56.9 | Low | 47.5 | Very low | 148 Ų | 148 | 160.1 Ų | 160.1 | 76% | 0.759 | 85% | 0.85 | S | S | * | * | trans | -93.9 | 141.6 | 170.7 | -54.4 | 174.1 | 0 | 0 | 0 | 106.4 | ||||
| 194 | F | 53.3 | Low | 47.9 | Very low | 279 Ų | 279 | 163 Ų | 163 | 100% | 1.224 | 86% | 0.855 | S | S | * | * | trans | -37.9 | 0 | -174.3 | -68.4 | -89.2 | 0 | 0 | 0 | 116.9 |
Retrieved 194 of 194 residues in 110.2 ms
(Link to these results)