| 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 | 53.6 | Low | 62.6 | Low | 228 Ų | 228 | 123.5 Ų | 123.5 | 100% | 1.123 | 66% | 0.661 | S | S | * | * | 0 | 116.8 | 0 | -68.8 | 171.1 | 75.7 | 0 | 0 | 107.8 | |||||
| 2 | N | 58.4 | Low | 63 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | trans | -60.8 | 141 | -167.3 | -86.6 | -47.7 | 0 | 0 | 0 | 112.8 | T4 V5 | N2-T4 PolarHBondContact O-N 3.3Å; N2-V5 PolarHBondContact O-N 3.31Å | ||
| 3 | L | 67.4 | Low | 63.6 | Low | 137 Ų | 137 | 120.4 Ų | 120.4 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -49.8 | -31.2 | 179.1 | -168.8 | 69.8 | 0 | 0 | 0 | 112.6 | V5 K6 I7 | L3-V5 VanDerWaalsContact C-N 3.33Å; L3-V5 PolarHBondContact O-N 3.47Å; L3-K6 PolarHBondContact O-N 3.48Å; L3-I7 PolarHBondContact O-N 3.43Å |
| 4 | T | 64.5 | Low | 64.3 | Low | 103 Ų | 103 | 117.1 Ų | 117.1 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58.4 | -35.8 | 174.5 | 9.9 | 0 | 0 | 0 | 0 | 114 | N2 L8 | N2-T4 PolarHBondContact O-N 3.3Å; T4-L8 PolarHBondContact O-N 3.18Å; T4-L8 VanDerWaalsContact O-N 3.17Å |
| 5 | V | 66.2 | Low | 65.1 | Low | 73 Ų | 73 | 115 Ų | 115 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.4 | -32.2 | -178.7 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | N2 L3 L8 L9 | N2-V5 PolarHBondContact O-N 3.31Å; L3-V5 VanDerWaalsContact C-N 3.33Å; L3-V5 PolarHBondContact O-N 3.47Å; V5-L8 PolarHBondContact O-N 3.27Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.17Å; V5-L9 PolarHBondContact O-N 3.29Å |
| 6 | K | 61.7 | Low | 65.8 | Low | 169 Ų | 169 | 114.7 Ų | 114.7 | 74% | 0.735 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.8 | -34.6 | 174.9 | -90.9 | -176.5 | 173.3 | -177.4 | 0 | 112.7 | L3 S10 | L3-K6 PolarHBondContact O-N 3.48Å; K6-S10 PolarHBondContact O-N 3.09Å |
| 7 | I | 62.3 | Low | 66.6 | Low | 105 Ų | 105 | 113.8 Ų | 113.8 | 54% | 0.538 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.2 | -48.7 | 173.5 | -65.7 | 166.4 | 0 | 0 | 0 | 108.6 | L3 L9 S10 I13 | L3-I7 PolarHBondContact O-N 3.43Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.93Å; I7-S10 VanDerWaalsContact O-CB 3.29Å; I7-S10 WeakPolarHBondContact O-CB 3.31Å; I7-S10 PolarHBondContact O-N 2.82Å; I7-S10 VanDerWaalsContact O-N 3.08Å; I7-I13 HydrophobicContact CG2-CD1 4.19Å; I7-I13 WeakPolarHBondContact O-CD1 3.24Å |
| 8 | L | 61.3 | Low | 67.3 | Low | 131 Ų | 131 | 113.3 Ų | 113.3 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64 | -30.4 | -177.5 | -146 | 84.1 | 0 | 0 | 0 | 114.5 | T4 V5 | T4-L8 PolarHBondContact O-N 3.18Å; T4-L8 VanDerWaalsContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 3.27Å |
| 9 | L | 61.2 | Low | 68 | Low | 136 Ų | 136 | 112.9 Ų | 112.9 | 71% | 0.712 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 3.8 | 175.8 | -95.3 | 92.4 | 0 | 0 | 0 | 114.3 | V5 I7 | V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.17Å; V5-L9 PolarHBondContact O-N 3.29Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.93Å |
| 10 | S | 63.4 | Low | 68.4 | Low | 47 Ų | 47 | 112.5 Ų | 112.5 | 33% | 0.329 | 60% | 0.603 | S | S | . | * | trans | -69.6 | 127.8 | 177.7 | -164.4 | 0 | 0 | 0 | 0 | 110 | K6 I7 Q12 I13 | K6-S10 PolarHBondContact O-N 3.09Å; I7-S10 VanDerWaalsContact O-CB 3.29Å; I7-S10 WeakPolarHBondContact O-CB 3.31Å; I7-S10 PolarHBondContact O-N 2.82Å; I7-S10 VanDerWaalsContact O-N 3.08Å; S10-Q12 PolarHBondContact O-N 3.24Å; S10-I13 PolarHBondContact O-N 3.22Å; S10-I13 VanDerWaalsContact O-N 3.16Å | ||
| 11 | P | 68.3 | Low | 68.6 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 69% | 0.688 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -9.5 | -172.1 | 23.9 | -34.3 | 0 | 0 | 0 | 114.4 | ||
| 12 | Q | 67.6 | Low | 69.6 | Low | 151 Ų | 151 | 104.8 Ų | 104.8 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.7 | -22.6 | 179.6 | -68.9 | 178.3 | -16.3 | 0 | 0 | 114.2 | S10 V15 L16 | S10-Q12 PolarHBondContact O-N 3.24Å; Q12-V15 PolarHBondContact O-N 3.11Å; Q12-L16 PolarHBondContact O-N 3.5Å; Q12-L16 VanDerWaalsContact O-N 3.13Å |
| 13 | I | 70.8 | Confident | 70.4 | Confident | 55 Ų | 55 | 106.2 Ų | 106.2 | 28% | 0.282 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64 | -47.3 | -178.8 | -63.7 | -174.2 | 0 | 0 | 0 | 113.6 | I7 S10 V15 L16 I17 | I7-I13 HydrophobicContact CG2-CD1 4.19Å; I7-I13 WeakPolarHBondContact O-CD1 3.24Å; S10-I13 PolarHBondContact O-N 3.22Å; S10-I13 VanDerWaalsContact O-N 3.16Å; I13-V15 VanDerWaalsContact C-N 3.29Å; I13-V15 PolarHBondContact O-N 2.81Å; I13-L16 PolarHBondContact O-N 3.34Å; I13-I17 HydrophobicContact CG2-CD1 3.79Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 3.41Å; I13-I17 VanDerWaalsContact O-N 3.07Å |
| 14 | P | 73.3 | Confident | 70.5 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -34.3 | 179.8 | 24.2 | -33.8 | 0 | 0 | 0 | 112.4 | I17 V18 | P14-I17 PolarHBondContact O-N 3.29Å; P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 3.42Å |
| 15 | V | 76.1 | Confident | 71 | Confident | 86 Ų | 86 | 101.5 Ų | 101.5 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | Q12 I13 I17 V18 I19 | Q12-V15 PolarHBondContact O-N 3.11Å; I13-V15 VanDerWaalsContact C-N 3.29Å; I13-V15 PolarHBondContact O-N 2.81Å; V15-I17 PolarHBondContact O-N 2.91Å; V15-V18 PolarHBondContact O-N 3.45Å; V15-I19 HydrophobicContact CG1-CD1 3.92Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.35Å |
| 16 | L | 76.3 | Confident | 71.3 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.3 | -41.2 | 177.9 | -160.4 | 78.2 | 0 | 0 | 0 | 111.8 | Q12 I13 I19 I20 | Q12-L16 PolarHBondContact O-N 3.5Å; Q12-L16 VanDerWaalsContact O-N 3.13Å; I13-L16 PolarHBondContact O-N 3.34Å; L16-I19 PolarHBondContact O-N 3.33Å; L16-I20 HydrophobicContact CD2-CD1 4.36Å; L16-I20 HydrophobicContact CG-CD1 4.08Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 2.78Å |
| 17 | I | 79.2 | Confident | 71.7 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 177.2 | -67.9 | 167 | 0 | 0 | 0 | 110.9 | I13 P14 V15 I19 I20 H21 | I13-I17 HydrophobicContact CG2-CD1 3.79Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 3.41Å; I13-I17 VanDerWaalsContact O-N 3.07Å; P14-I17 PolarHBondContact O-N 3.29Å; V15-I17 PolarHBondContact O-N 2.91Å; I17-I19 VanDerWaalsContact C-N 3.35Å; I17-I19 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 3.42Å; I17-H21 WeakPolarHBondContact O-CB 3.48Å; I17-H21 PolarHBondContact O-N 3.47Å |
| 18 | V | 79.9 | Confident | 72.2 | Confident | 105 Ų | 105 | 94.4 Ų | 94.4 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | P14 V15 H21 G22 | P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 3.42Å; V15-V18 PolarHBondContact O-N 3.45Å; V18-H21 PolarHBondContact O-N 3.45Å; V18-G22 PolarHBondContact O-N 3.23Å |
| 19 | I | 79.8 | Confident | 72.8 | Confident | 107 Ų | 107 | 95 Ų | 95 | 55% | 0.549 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 176.9 | -67.8 | 168.2 | 0 | 0 | 0 | 111 | V15 L16 I17 G22 F23 | V15-I19 HydrophobicContact CG1-CD1 3.92Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.35Å; L16-I19 PolarHBondContact O-N 3.33Å; I17-I19 VanDerWaalsContact C-N 3.35Å; I17-I19 PolarHBondContact O-N 3.32Å; I19-G22 PolarHBondContact O-N 3.3Å; I19-F23 WeakPolarHBondContact O-CB 3.26Å; I19-F23 PolarHBondContact O-N 2.85Å |
| 20 | I | 77.2 | Confident | 73.2 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 178.6 | -68.3 | 165.8 | 0 | 0 | 0 | 110.8 | L16 I17 F23 C24 | L16-I20 HydrophobicContact CD2-CD1 4.36Å; L16-I20 HydrophobicContact CG-CD1 4.08Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 2.78Å; I17-I20 PolarHBondContact O-N 3.42Å; I20-F23 PolarHBondContact O-N 2.97Å; I20-C24 WeakPolarHBondContact O-CB 3.38Å; I20-C24 PolarHBondContact O-N 3.36Å |
| 21 | H | 72.9 | Confident | 73.8 | Confident | 136 Ų | 136 | 97 Ų | 97 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 177 | -119.9 | -112.6 | 0 | 0 | 0 | 112 | I17 V18 C24 S25 | I17-H21 WeakPolarHBondContact O-CB 3.48Å; I17-H21 PolarHBondContact O-N 3.47Å; V18-H21 PolarHBondContact O-N 3.45Å; H21-C24 PolarHBondContact O-N 3.16Å; H21-S25 PolarHBondContact O-N 3.03Å |
| 22 | G | 74.6 | Confident | 74 | Confident | 43 Ų | 43 | 96.5 Ų | 96.5 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V18 I19 L26 | V18-G22 PolarHBondContact O-N 3.23Å; I19-G22 PolarHBondContact O-N 3.3Å; G22-L26 WeakPolarHBondContact O-CB 3.28Å; G22-L26 PolarHBondContact O-N 3.37Å |
| 23 | F | 73.5 | Confident | 74.3 | Confident | 153 Ų | 153 | 91 Ų | 91 | 67% | 0.671 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 176.5 | -167.7 | -98.1 | 0 | 0 | 0 | 112.4 | I19 I20 L26 S27 | I19-F23 WeakPolarHBondContact O-CB 3.26Å; I19-F23 PolarHBondContact O-N 2.85Å; I20-F23 PolarHBondContact O-N 2.97Å; F23-L26 PolarHBondContact O-N 3.41Å; F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.05Å; F23-S27 PolarHBondContact O-OG 3.31Å |
| 24 | C | 69.9 | Low | 74.2 | Confident | 74 Ų | 74 | 95.9 Ų | 95.9 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 178.3 | -156.4 | 0 | 0 | 0 | 0 | 112.5 | I20 H21 S27 S28 | I20-C24 WeakPolarHBondContact O-CB 3.38Å; I20-C24 PolarHBondContact O-N 3.36Å; H21-C24 PolarHBondContact O-N 3.16Å; C24-S27 WeakPolarHBondContact CA-OG 3.43Å; C24-S27 PolarHBondContact O-OG 2.98Å; C24-S28 WeakPolarHBondContact O-CB 3.31Å; C24-S28 PolarHBondContact O-N 3.47Å; C24-S28 VanDerWaalsContact O-N 3.09Å; C24-S28 PolarHBondContact O-OG 3.43Å |
| 25 | S | 74.7 | Confident | 74.6 | Confident | 67 Ų | 67 | 96.6 Ų | 96.6 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 173.9 | -77.2 | 0 | 0 | 0 | 0 | 112.2 | H21 S28 H29 | H21-S25 PolarHBondContact O-N 3.03Å; S25-S28 PolarHBondContact O-N 3.01Å; S25-H29 PolarHBondContact O-CD2 3.1Å; S25-H29 VanDerWaalsContact O-CD2 3.27Å; S25-H29 PolarHBondContact O-N 3.36Å |
| 26 | L | 72.9 | Confident | 74.4 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 179.6 | -173.8 | 63.3 | 0 | 0 | 0 | 111.8 | G22 F23 H29 L30 | G22-L26 WeakPolarHBondContact O-CB 3.28Å; G22-L26 PolarHBondContact O-N 3.37Å; F23-L26 PolarHBondContact O-N 3.41Å; L26-H29 PolarHBondContact O-N 3.35Å; L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.19Å |
| 27 | S | 71.2 | Confident | 74.3 | Confident | 37 Ų | 37 | 100.5 Ų | 100.5 | 26% | 0.259 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 175.2 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | F23 C24 H29 L30 I31 | F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.05Å; F23-S27 PolarHBondContact O-OG 3.31Å; C24-S27 WeakPolarHBondContact CA-OG 3.43Å; C24-S27 PolarHBondContact O-OG 2.98Å; S27-H29 PolarHBondContact O-N 2.9Å; S27-L30 PolarHBondContact O-N 2.95Å; S27-I31 WeakPolarHBondContact O-CB 3.32Å; S27-I31 WeakPolarHBondContact O-CD1 3.49Å; S27-I31 WeakPolarHBondContact O-CG1 3.48Å; S27-I31 PolarHBondContact O-N 3.28Å |
| 28 | S | 72.3 | Confident | 74.3 | Confident | 54 Ų | 54 | 101.4 Ų | 101.4 | 38% | 0.378 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | C24 S25 N32 | C24-S28 WeakPolarHBondContact O-CB 3.31Å; C24-S28 PolarHBondContact O-N 3.47Å; C24-S28 VanDerWaalsContact O-N 3.09Å; C24-S28 PolarHBondContact O-OG 3.43Å; S25-S28 PolarHBondContact O-N 3.01Å; S28-N32 VanDerWaalsContact O-CB 3.3Å; S28-N32 WeakPolarHBondContact O-CB 3.47Å; S28-N32 PolarHBondContact O-N 2.85Å; S28-N32 PolarHBondContact O-ND2 3.46Å |
| 29 | H | 73.3 | Confident | 74.3 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 66% | 0.662 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -38.2 | 175.2 | -80.5 | -67.4 | 0 | 0 | 0 | 112.8 | S25 L26 S27 G33 | S25-H29 PolarHBondContact O-CD2 3.1Å; S25-H29 VanDerWaalsContact O-CD2 3.27Å; S25-H29 PolarHBondContact O-N 3.36Å; L26-H29 PolarHBondContact O-N 3.35Å; S27-H29 PolarHBondContact O-N 2.9Å; H29-G33 PolarHBondContact O-N 2.92Å |
| 30 | L | 70.4 | Confident | 74.2 | Confident | 118 Ų | 118 | 104 Ų | 104 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.7 | -43.6 | 175.8 | -70.2 | 172.6 | 0 | 0 | 0 | 112 | L26 S27 G33 F34 | L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.19Å; S27-L30 PolarHBondContact O-N 2.95Å; L30-G33 PolarHBondContact O-N 3.04Å; L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.43Å |
| 31 | I | 74.5 | Confident | 74.4 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 55% | 0.549 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.3 | -66.6 | 162.4 | 0 | 0 | 0 | 110.4 | S27 G33 F34 Q35 | S27-I31 WeakPolarHBondContact O-CB 3.32Å; S27-I31 WeakPolarHBondContact O-CD1 3.49Å; S27-I31 WeakPolarHBondContact O-CG1 3.48Å; S27-I31 PolarHBondContact O-N 3.28Å; I31-G33 PolarHBondContact O-N 3Å; I31-F34 PolarHBondContact O-N 3.28Å; I31-Q35 VanDerWaalsContact O-CB 3.31Å; I31-Q35 WeakPolarHBondContact O-CB 3.49Å; I31-Q35 PolarHBondContact O-N 3.49Å |
| 32 | N | 73.8 | Confident | 75.1 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178.1 | -73.8 | -35 | 0 | 0 | 0 | 112 | S28 W36 | S28-N32 VanDerWaalsContact O-CB 3.3Å; S28-N32 WeakPolarHBondContact O-CB 3.47Å; S28-N32 PolarHBondContact O-N 2.85Å; S28-N32 PolarHBondContact O-ND2 3.46Å; N32-W36 WeakPolarHBondContact O-CB 3.4Å; N32-W36 PolarHBondContact O-N 2.87Å |
| 33 | G | 73.5 | Confident | 75.6 | Confident | 37 Ų | 37 | 104.2 Ų | 104.2 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H29 L30 I31 Q35 W36 C37 | H29-G33 PolarHBondContact O-N 2.92Å; L30-G33 PolarHBondContact O-N 3.04Å; I31-G33 PolarHBondContact O-N 3Å; G33-Q35 PolarHBondContact O-N 3.35Å; G33-W36 PolarHBondContact O-N 2.91Å; G33-C37 PolarHBondContact O-N 3.14Å |
| 34 | F | 69.8 | Low | 76 | Confident | 157 Ų | 157 | 99.5 Ų | 99.5 | 69% | 0.689 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 178.8 | -154.8 | -95.1 | 0 | 0 | 0 | 112 | L30 I31 C37 F38 | L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.43Å; I31-F34 PolarHBondContact O-N 3.28Å; F34-C37 PolarHBondContact O-N 3.01Å; F34-F38 PolarHBondContact O-N 3.1Å |
| 35 | Q | 79.8 | Confident | 76.8 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.8 | -164 | 66.9 | 29.7 | 0 | 0 | 111.4 | I31 G33 F38 Y39 | I31-Q35 VanDerWaalsContact O-CB 3.31Å; I31-Q35 WeakPolarHBondContact O-CB 3.49Å; I31-Q35 PolarHBondContact O-N 3.49Å; G33-Q35 PolarHBondContact O-N 3.35Å; Q35-F38 PolarHBondContact O-N 3.07Å; Q35-Y39 HydrophobicContact CG-CD2 3.85Å; Q35-Y39 HydrophobicContact CG-CE2 3.68Å; Q35-Y39 VanDerWaalsContact O-CD2 3.22Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.48Å; Q35-Y39 PolarHBondContact O-N 2.97Å |
| 36 | W | 72.8 | Confident | 77.7 | Confident | 193 Ų | 193 | 105 Ų | 105 | 73% | 0.731 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 174.6 | -95.8 | 97.9 | 0 | 0 | 0 | 112.7 | N32 G33 F38 Y39 F40 | N32-W36 WeakPolarHBondContact O-CB 3.4Å; N32-W36 PolarHBondContact O-N 2.87Å; G33-W36 PolarHBondContact O-N 2.91Å; W36-F38 VanDerWaalsContact C-N 3.35Å; W36-F38 PolarHBondContact O-N 3.41Å; W36-Y39 PolarHBondContact O-N 3.02Å; W36-F40 WeakPolarHBondContact O-CB 3.45Å; W36-F40 PolarHBondContact O-N 2.7Å |
| 37 | C | 74 | Confident | 78.5 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 57% | 0.568 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 174.9 | -79.2 | 0 | 0 | 0 | 0 | 112.3 | G33 F34 F40 T41 | G33-C37 PolarHBondContact O-N 3.14Å; F34-C37 PolarHBondContact O-N 3.01Å; C37-F40 PolarHBondContact O-N 2.96Å; C37-T41 WeakPolarHBondContact O-CB 3.33Å; C37-T41 PolarHBondContact O-N 3.24Å; C37-T41 PolarHBondContact O-OG1 3.44Å |
| 38 | F | 79.8 | Confident | 79.5 | Confident | 118 Ų | 118 | 107 Ų | 107 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 178.4 | -163.7 | -95.7 | 0 | 0 | 0 | 111.7 | F34 Q35 W36 T41 Q42 | F34-F38 PolarHBondContact O-N 3.1Å; Q35-F38 PolarHBondContact O-N 3.07Å; W36-F38 VanDerWaalsContact C-N 3.35Å; W36-F38 PolarHBondContact O-N 3.41Å; F38-T41 PolarHBondContact O-N 3.02Å; F38-Q42 HydrophobicContact CD1-CG 4.12Å; F38-Q42 HydrophobicContact CE1-CG 3.93Å; F38-Q42 WeakPolarHBondContact O-CB 3.45Å; F38-Q42 WeakPolarHBondContact O-CG 3.49Å; F38-Q42 PolarHBondContact O-N 2.94Å |
| 39 | Y | 80 | Confident | 80.4 | Confident | 134 Ų | 134 | 108 Ų | 108 | 53% | 0.525 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.1 | -85.5 | -64.3 | 0 | 0 | 0 | 112.5 | Q35 W36 T41 Q42 I43 | Q35-Y39 HydrophobicContact CG-CD2 3.85Å; Q35-Y39 HydrophobicContact CG-CE2 3.68Å; Q35-Y39 VanDerWaalsContact O-CD2 3.22Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.48Å; Q35-Y39 PolarHBondContact O-N 2.97Å; W36-Y39 PolarHBondContact O-N 3.02Å; Y39-T41 VanDerWaalsContact C-N 3.33Å; Y39-T41 PolarHBondContact O-N 3.03Å; Y39-Q42 PolarHBondContact O-N 2.82Å; Y39-I43 WeakPolarHBondContact O-CB 3.37Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.34Å; Y39-I43 PolarHBondContact O-N 2.88Å |
| 40 | F | 77.6 | Confident | 81.4 | Confident | 133 Ų | 133 | 104.9 Ų | 104.9 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | 177.7 | -172 | -97.1 | 0 | 0 | 0 | 111.9 | W36 C37 I43 T44 | W36-F40 WeakPolarHBondContact O-CB 3.45Å; W36-F40 PolarHBondContact O-N 2.7Å; C37-F40 PolarHBondContact O-N 2.96Å; F40-I43 PolarHBondContact O-N 2.98Å; F40-T44 HydrophobicContact CD1-CG2 4.07Å; F40-T44 HydrophobicContact CE1-CG2 3.67Å; F40-T44 HydrophobicContact CE2-CG2 4.37Å; F40-T44 HydrophobicContact CZ-CG2 3.84Å; F40-T44 WeakPolarHBondContact O-CB 3.36Å; F40-T44 WeakPolarHBondContact O-CG2 3.33Å; F40-T44 PolarHBondContact O-N 3.37Å; F40-T44 PolarHBondContact O-OG1 3.3Å |
| 41 | T | 80.2 | Confident | 82.6 | Confident | 87 Ų | 87 | 101.9 Ų | 101.9 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176 | -52 | 0 | 0 | 0 | 0 | 111.2 | C37 F38 Y39 T44 H45 | C37-T41 WeakPolarHBondContact O-CB 3.33Å; C37-T41 PolarHBondContact O-N 3.24Å; C37-T41 PolarHBondContact O-OG1 3.44Å; F38-T41 PolarHBondContact O-N 3.02Å; Y39-T41 VanDerWaalsContact C-N 3.33Å; Y39-T41 PolarHBondContact O-N 3.03Å; T41-T44 WeakPolarHBondContact CA-OG1 3.05Å; T41-T44 PolarHBondContact O-OG1 3.05Å; T41-H45 WeakPolarHBondContact O-CB 3.18Å; T41-H45 PolarHBondContact O-N 3.28Å |
| 42 | Q | 87.8 | Confident | 83.4 | Confident | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.2 | -78.4 | -83.1 | 49 | 0 | 0 | 112.3 | F38 Y39 H45 F46 | F38-Q42 HydrophobicContact CD1-CG 4.12Å; F38-Q42 HydrophobicContact CE1-CG 3.93Å; F38-Q42 WeakPolarHBondContact O-CB 3.45Å; F38-Q42 WeakPolarHBondContact O-CG 3.49Å; F38-Q42 PolarHBondContact O-N 2.94Å; Y39-Q42 PolarHBondContact O-N 2.82Å; Q42-H45 PolarHBondContact O-N 2.89Å; Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.16Å |
| 43 | I | 86.5 | Confident | 84.4 | Confident | 96 Ų | 96 | 105 Ų | 105 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 179.5 | -70.6 | 165.2 | 0 | 0 | 0 | 110.7 | Y39 F40 H45 F46 L47 | Y39-I43 WeakPolarHBondContact O-CB 3.37Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.34Å; Y39-I43 PolarHBondContact O-N 2.88Å; F40-I43 PolarHBondContact O-N 2.98Å; I43-H45 PolarHBondContact O-N 3.36Å; I43-F46 PolarHBondContact O-N 3.27Å; I43-L47 HydrophobicContact CG2-CD1 3.93Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 VanDerWaalsContact O-CG 3.32Å; I43-L47 WeakPolarHBondContact O-CG 3.44Å; I43-L47 PolarHBondContact O-N 3.47Å |
| 44 | T | 81.4 | Confident | 85.4 | Confident | 53 Ų | 53 | 107.9 Ų | 107.9 | 33% | 0.325 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 179.4 | 50 | 0 | 0 | 0 | 0 | 111.7 | F40 T41 F46 L47 V48 | F40-T44 HydrophobicContact CD1-CG2 4.07Å; F40-T44 HydrophobicContact CE1-CG2 3.67Å; F40-T44 HydrophobicContact CE2-CG2 4.37Å; F40-T44 HydrophobicContact CZ-CG2 3.84Å; F40-T44 WeakPolarHBondContact O-CB 3.36Å; F40-T44 WeakPolarHBondContact O-CG2 3.33Å; F40-T44 PolarHBondContact O-N 3.37Å; F40-T44 PolarHBondContact O-OG1 3.3Å; T41-T44 WeakPolarHBondContact CA-OG1 3.05Å; T41-T44 PolarHBondContact O-OG1 3.05Å; T44-F46 PolarHBondContact O-N 2.68Å; T44-L47 PolarHBondContact O-N 2.8Å; T44-V48 VanDerWaalsContact O-CG2 3.3Å; T44-V48 WeakPolarHBondContact O-CG2 3.44Å; T44-V48 PolarHBondContact O-N 2.88Å |
| 45 | H | 87.2 | Confident | 86.6 | Confident | 113 Ų | 113 | 107.6 Ų | 107.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.6 | -175.5 | -105.8 | 0 | 0 | 0 | 112.4 | T41 Q42 I43 V48 N49 | T41-H45 WeakPolarHBondContact O-CB 3.18Å; T41-H45 PolarHBondContact O-N 3.28Å; Q42-H45 PolarHBondContact O-N 2.89Å; I43-H45 PolarHBondContact O-N 3.36Å; H45-V48 PolarHBondContact O-N 3.46Å; H45-N49 PolarHBondContact CE1-ND2 2.92Å; H45-N49 PolarHBondContact ND1-ND2 2.66Å; H45-N49 PolarHBondContact NE2-ND2 3.42Å; H45-N49 VanDerWaalsContact NE2-ND2 3.13Å; H45-N49 PolarHBondContact O-N 2.96Å; H45-N49 PolarHBondContact O-ND2 3.48Å |
| 46 | F | 93.6 | Very high | 87.2 | Confident | 143 Ų | 143 | 107.7 Ų | 107.7 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 176.1 | -169 | -95.1 | 0 | 0 | 0 | 111.8 | Q42 I43 T44 N49 L50 | Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.16Å; I43-F46 PolarHBondContact O-N 3.27Å; T44-F46 PolarHBondContact O-N 2.68Å; F46-N49 PolarHBondContact O-N 2.8Å; F46-L50 VanDerWaalsContact O-CB 3.31Å; F46-L50 WeakPolarHBondContact O-CB 3.49Å; F46-L50 PolarHBondContact O-N 3.24Å |
| 47 | L | 88.8 | Confident | 88.3 | Confident | 99 Ų | 99 | 102.8 Ų | 102.8 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 178 | -69.8 | 175.3 | 0 | 0 | 0 | 112.7 | I43 T44 L50 S51 | I43-L47 HydrophobicContact CG2-CD1 3.93Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 VanDerWaalsContact O-CG 3.32Å; I43-L47 WeakPolarHBondContact O-CG 3.44Å; I43-L47 PolarHBondContact O-N 3.47Å; T44-L47 PolarHBondContact O-N 2.8Å; L47-L50 PolarHBondContact O-N 2.74Å; L47-S51 WeakPolarHBondContact O-CB 3.35Å; L47-S51 PolarHBondContact O-N 2.96Å; L47-S51 PolarHBondContact O-OG 3.12Å |
| 48 | V | 92.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | T44 H45 S51 L52 | T44-V48 VanDerWaalsContact O-CG2 3.3Å; T44-V48 WeakPolarHBondContact O-CG2 3.44Å; T44-V48 PolarHBondContact O-N 2.88Å; H45-V48 PolarHBondContact O-N 3.46Å; V48-S51 PolarHBondContact O-N 3.4Å; V48-S51 PolarHBondContact O-OG 3.38Å; V48-L52 WeakPolarHBondContact O-CB 3.36Å; V48-L52 PolarHBondContact O-N 3.43Å |
| 49 | N | 91.9 | Very high | 90 | Very high | 75 Ų | 75 | 99.9 Ų | 99.9 | 40% | 0.401 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.5 | -76.6 | -58.8 | 0 | 0 | 0 | 112.3 | H45 F46 L52 Y53 | H45-N49 PolarHBondContact CE1-ND2 2.92Å; H45-N49 PolarHBondContact ND1-ND2 2.66Å; H45-N49 PolarHBondContact NE2-ND2 3.42Å; H45-N49 VanDerWaalsContact NE2-ND2 3.13Å; H45-N49 PolarHBondContact O-N 2.96Å; H45-N49 PolarHBondContact O-ND2 3.48Å; F46-N49 PolarHBondContact O-N 2.8Å; N49-L52 PolarHBondContact O-N 2.8Å; N49-Y53 WeakPolarHBondContact O-CB 3.34Å; N49-Y53 PolarHBondContact O-N 3.35Å |
| 50 | L | 94.6 | Very high | 90.6 | Very high | 78 Ų | 78 | 95.2 Ų | 95.2 | 41% | 0.408 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.5 | -177.7 | 62.6 | 0 | 0 | 0 | 111.4 | F46 L47 Y53 I54 | F46-L50 VanDerWaalsContact O-CB 3.31Å; F46-L50 WeakPolarHBondContact O-CB 3.49Å; F46-L50 PolarHBondContact O-N 3.24Å; L47-L50 PolarHBondContact O-N 2.74Å; L50-Y53 PolarHBondContact O-N 3.09Å; L50-I54 HydrophobicContact CD1-CD1 4.17Å; L50-I54 HydrophobicContact CG-CD1 3.95Å; L50-I54 WeakPolarHBondContact O-CD1 3.25Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 2.83Å; L50-I54 PolarHBondContact O-N 3.18Å |
| 51 | S | 93.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 93.5 Ų | 93.5 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 177.4 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | L47 V48 Y53 I54 F55 | L47-S51 WeakPolarHBondContact O-CB 3.35Å; L47-S51 PolarHBondContact O-N 2.96Å; L47-S51 PolarHBondContact O-OG 3.12Å; V48-S51 PolarHBondContact O-N 3.4Å; V48-S51 PolarHBondContact O-OG 3.38Å; S51-Y53 VanDerWaalsContact C-N 3.32Å; S51-Y53 PolarHBondContact O-N 2.82Å; S51-I54 PolarHBondContact O-N 2.91Å; S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.08Å; S51-F55 PolarHBondContact O-N 3.39Å |
| 52 | L | 92.8 | Very high | 92 | Very high | 122 Ų | 122 | 95.9 Ų | 95.9 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 177.3 | -148.7 | 79.3 | 0 | 0 | 0 | 112.1 | V48 N49 F55 C56 | V48-L52 WeakPolarHBondContact O-CB 3.36Å; V48-L52 PolarHBondContact O-N 3.43Å; N49-L52 PolarHBondContact O-N 2.8Å; L52-F55 PolarHBondContact O-N 3.5Å; L52-C56 WeakPolarHBondContact O-CB 3.08Å; L52-C56 PolarHBondContact O-N 3.4Å |
| 53 | Y | 94.1 | Very high | 92.2 | Very high | 145 Ų | 145 | 98.1 Ų | 98.1 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 176 | -179 | -101.2 | 0 | 0 | 0 | 112.2 | N49 L50 S51 C56 Q57 | N49-Y53 WeakPolarHBondContact O-CB 3.34Å; N49-Y53 PolarHBondContact O-N 3.35Å; L50-Y53 PolarHBondContact O-N 3.09Å; S51-Y53 VanDerWaalsContact C-N 3.32Å; S51-Y53 PolarHBondContact O-N 2.82Å; Y53-C56 PolarHBondContact O-N 3.27Å; Y53-Q57 HydrophobicContact CD1-CG 4.49Å; Y53-Q57 HydrophobicContact CE1-CG 4.02Å; Y53-Q57 HydrophobicContact CE2-CG 4.4Å; Y53-Q57 PolarHBondContact O-N 2.95Å; Y53-Q57 PolarHBondContact OH-NE2 3.43Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.14Å |
| 54 | I | 95.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.4 | -68.1 | 163.5 | 0 | 0 | 0 | 110.8 | L50 S51 C56 Q57 A58 | L50-I54 HydrophobicContact CD1-CD1 4.17Å; L50-I54 HydrophobicContact CG-CD1 3.95Å; L50-I54 WeakPolarHBondContact O-CD1 3.25Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 2.83Å; L50-I54 PolarHBondContact O-N 3.18Å; S51-I54 PolarHBondContact O-N 2.91Å; I54-C56 VanDerWaalsContact C-N 3.35Å; I54-C56 PolarHBondContact O-N 3.44Å; I54-Q57 PolarHBondContact O-N 2.86Å; I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 3.33Å |
| 55 | F | 94.9 | Very high | 92.7 | Very high | 151 Ų | 151 | 98.3 Ų | 98.3 | 66% | 0.662 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 175.8 | -92.8 | -75.9 | 0 | 0 | 0 | 112 | S51 L52 A58 C59 | S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.08Å; S51-F55 PolarHBondContact O-N 3.39Å; L52-F55 PolarHBondContact O-N 3.5Å; F55-A58 PolarHBondContact O-N 2.88Å; F55-C59 WeakPolarHBondContact O-CB 3.02Å; F55-C59 PolarHBondContact O-N 2.91Å |
| 56 | C | 92.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -47.1 | 177.7 | -174 | 0 | 0 | 0 | 0 | 111.8 | L52 Y53 I54 C59 G60 | L52-C56 WeakPolarHBondContact O-CB 3.08Å; L52-C56 PolarHBondContact O-N 3.4Å; Y53-C56 PolarHBondContact O-N 3.27Å; I54-C56 VanDerWaalsContact C-N 3.35Å; I54-C56 PolarHBondContact O-N 3.44Å; C56-C59 PolarHBondContact O-N 3.19Å; C56-G60 PolarHBondContact O-N 3.28Å |
| 57 | Q | 94.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 94.4 Ų | 94.4 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 177.2 | -74.6 | -71 | 15.2 | 0 | 0 | 112.2 | Y53 I54 C59 G60 I61 | Y53-Q57 HydrophobicContact CD1-CG 4.49Å; Y53-Q57 HydrophobicContact CE1-CG 4.02Å; Y53-Q57 HydrophobicContact CE2-CG 4.4Å; Y53-Q57 PolarHBondContact O-N 2.95Å; Y53-Q57 PolarHBondContact OH-NE2 3.43Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.14Å; I54-Q57 PolarHBondContact O-N 2.86Å; Q57-C59 PolarHBondContact O-N 3.31Å; Q57-G60 PolarHBondContact O-N 2.92Å; Q57-I61 WeakPolarHBondContact O-CB 3.14Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.5Å; Q57-I61 PolarHBondContact O-N 2.9Å |
| 58 | A | 94.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 92.9 Ų | 92.9 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I54 F55 F62 | I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 3.33Å; F55-A58 PolarHBondContact O-N 2.88Å; A58-F62 VanDerWaalsContact O-CB 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.37Å; A58-F62 PolarHBondContact O-N 3.04Å |
| 59 | C | 94.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 96 Ų | 96 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 174.9 | -85.1 | 0 | 0 | 0 | 0 | 112.5 | F55 C56 Q57 F62 Y63 | F55-C59 WeakPolarHBondContact O-CB 3.02Å; F55-C59 PolarHBondContact O-N 2.91Å; C56-C59 PolarHBondContact O-N 3.19Å; Q57-C59 PolarHBondContact O-N 3.31Å; C59-F62 PolarHBondContact O-N 3.49Å; C59-Y63 WeakPolarHBondContact O-CB 3.49Å; C59-Y63 PolarHBondContact O-N 2.92Å |
| 60 | G | 92.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 97.5 Ų | 97.5 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C56 Q57 Y63 S64 | C56-G60 PolarHBondContact O-N 3.28Å; Q57-G60 PolarHBondContact O-N 2.92Å; G60-Y63 PolarHBondContact O-N 3.14Å; G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 2.9Å; G60-S64 PolarHBondContact O-OG 3.45Å |
| 61 | I | 93.8 | Very high | 89.4 | Confident | 97 Ų | 97 | 100.3 Ų | 100.3 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.4 | -66.5 | 166.4 | 0 | 0 | 0 | 109.7 | Q57 Y63 S64 I65 | Q57-I61 WeakPolarHBondContact O-CB 3.14Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.5Å; Q57-I61 PolarHBondContact O-N 2.9Å; I61-Y63 PolarHBondContact O-N 3.44Å; I61-S64 PolarHBondContact O-N 3.23Å; I61-I65 HydrophobicContact CG2-CD1 3.68Å; I61-I65 HydrophobicContact CG2-CG1 4.31Å; I61-I65 WeakPolarHBondContact O-CB 3.49Å; I61-I65 VanDerWaalsContact O-CG1 3.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.17Å; I61-I65 PolarHBondContact O-N 3.44Å |
| 62 | F | 94.3 | Very high | 88.2 | Confident | 137 Ų | 137 | 100.9 Ų | 100.9 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 179 | -163.7 | -93 | 0 | 0 | 0 | 112 | A58 C59 I65 I66 | A58-F62 VanDerWaalsContact O-CB 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.37Å; A58-F62 PolarHBondContact O-N 3.04Å; C59-F62 PolarHBondContact O-N 3.49Å; F62-I65 PolarHBondContact O-N 2.86Å; F62-I66 HydrophobicContact CD1-CD1 4.36Å; F62-I66 HydrophobicContact CD1-CG1 3.85Å; F62-I66 HydrophobicContact CE1-CD1 3.71Å; F62-I66 HydrophobicContact CE1-CG1 3.71Å; F62-I66 HydrophobicContact CZ-CD1 4.19Å; F62-I66 HydrophobicContact CZ-CG1 4.43Å; F62-I66 WeakPolarHBondContact O-CG1 3.32Å; F62-I66 PolarHBondContact O-N 2.97Å |
| 63 | Y | 91.3 | Very high | 86.5 | Confident | 153 Ų | 153 | 96.4 Ų | 96.4 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 176.1 | -170.1 | -95.6 | 0 | 0 | 0 | 111.6 | C59 G60 I61 I65 I66 Q67 | C59-Y63 WeakPolarHBondContact O-CB 3.49Å; C59-Y63 PolarHBondContact O-N 2.92Å; G60-Y63 PolarHBondContact O-N 3.14Å; I61-Y63 PolarHBondContact O-N 3.44Å; Y63-I65 VanDerWaalsContact C-N 3.33Å; Y63-I65 PolarHBondContact O-N 2.91Å; Y63-I66 PolarHBondContact O-N 3.04Å; Y63-Q67 VanDerWaalsContact O-CB 3.32Å; Y63-Q67 WeakPolarHBondContact O-CB 3.36Å; Y63-Q67 PolarHBondContact O-N 3.24Å |
| 64 | S | 90.2 | Very high | 84.7 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 112 | G60 I61 Q67 S68 | G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 2.9Å; G60-S64 PolarHBondContact O-OG 3.45Å; I61-S64 PolarHBondContact O-N 3.23Å; S64-Q67 PolarHBondContact O-N 3.3Å; S64-S68 VanDerWaalsContact O-CB 3.32Å; S64-S68 WeakPolarHBondContact O-CB 3.35Å; S64-S68 PolarHBondContact O-N 3.41Å |
| 65 | I | 88.5 | Confident | 82.8 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -51.1 | 175.1 | -71.2 | 169.8 | 0 | 0 | 0 | 110.4 | I61 F62 Y63 Q67 S68 Y69 | I61-I65 HydrophobicContact CG2-CD1 3.68Å; I61-I65 HydrophobicContact CG2-CG1 4.31Å; I61-I65 WeakPolarHBondContact O-CB 3.49Å; I61-I65 VanDerWaalsContact O-CG1 3.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.17Å; I61-I65 PolarHBondContact O-N 3.44Å; F62-I65 PolarHBondContact O-N 2.86Å; Y63-I65 VanDerWaalsContact C-N 3.33Å; Y63-I65 PolarHBondContact O-N 2.91Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3Å; I65-S68 WeakPolarHBondContact O-CB 3.21Å; I65-S68 PolarHBondContact O-N 3.39Å; I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.35Å; I65-Y69 WeakPolarHBondContact O-CD2 3.27Å; I65-Y69 PolarHBondContact O-N 3.36Å |
| 66 | I | 86.2 | Confident | 80.8 | Confident | 82 Ų | 82 | 94 Ų | 94 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.5 | -47 | 177.8 | -66.4 | -94.2 | 0 | 0 | 0 | 110.3 | F62 Y63 S68 Y69 V70 | F62-I66 HydrophobicContact CD1-CD1 4.36Å; F62-I66 HydrophobicContact CD1-CG1 3.85Å; F62-I66 HydrophobicContact CE1-CD1 3.71Å; F62-I66 HydrophobicContact CE1-CG1 3.71Å; F62-I66 HydrophobicContact CZ-CD1 4.19Å; F62-I66 HydrophobicContact CZ-CG1 4.43Å; F62-I66 WeakPolarHBondContact O-CG1 3.32Å; F62-I66 PolarHBondContact O-N 2.97Å; Y63-I66 PolarHBondContact O-N 3.04Å; I66-S68 VanDerWaalsContact C-N 3.32Å; I66-S68 PolarHBondContact O-N 3.48Å; I66-Y69 PolarHBondContact O-N 2.97Å; I66-V70 HydrophobicContact CG2-CG2 4.44Å; I66-V70 WeakPolarHBondContact O-CG2 3.41Å; I66-V70 PolarHBondContact O-N 3.38Å |
| 67 | Q | 86.1 | Confident | 78.9 | Confident | 91 Ų | 91 | 91.4 Ų | 91.4 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | -179.4 | -166.2 | 167.2 | 2.9 | 0 | 0 | 111.5 | Y63 S64 I65 V70 L71 | Y63-Q67 VanDerWaalsContact O-CB 3.32Å; Y63-Q67 WeakPolarHBondContact O-CB 3.36Å; Y63-Q67 PolarHBondContact O-N 3.24Å; S64-Q67 PolarHBondContact O-N 3.3Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3Å; Q67-V70 PolarHBondContact O-N 2.92Å; Q67-L71 HydrophobicContact CG-CD1 3.99Å; Q67-L71 WeakPolarHBondContact O-CB 3.24Å; Q67-L71 WeakPolarHBondContact O-CG 3.49Å; Q67-L71 PolarHBondContact O-N 2.98Å |
| 68 | S | 83.6 | Confident | 77 | Confident | 67 Ų | 67 | 92.4 Ų | 92.4 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 172.8 | -161.9 | 0 | 0 | 0 | 0 | 112.1 | S64 I65 I66 S72 | S64-S68 VanDerWaalsContact O-CB 3.32Å; S64-S68 WeakPolarHBondContact O-CB 3.35Å; S64-S68 PolarHBondContact O-N 3.41Å; I65-S68 WeakPolarHBondContact O-CB 3.21Å; I65-S68 PolarHBondContact O-N 3.39Å; I66-S68 VanDerWaalsContact C-N 3.32Å; I66-S68 PolarHBondContact O-N 3.48Å; S68-S72 WeakPolarHBondContact O-CB 3.46Å; S68-S72 PolarHBondContact O-N 2.91Å; S68-S72 PolarHBondContact O-OG 3.49Å |
| 69 | Y | 75.4 | Confident | 75.1 | Confident | 154 Ų | 154 | 93 Ų | 93 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 173.8 | -82.8 | -71.4 | 0 | 0 | 0 | 113.1 | I65 I66 | I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.35Å; I65-Y69 WeakPolarHBondContact O-CD2 3.27Å; I65-Y69 PolarHBondContact O-N 3.36Å; I66-Y69 PolarHBondContact O-N 2.97Å |
| 70 | V | 76.7 | Confident | 73.2 | Confident | 107 Ų | 107 | 90.9 Ų | 90.9 | 65% | 0.648 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.4 | -45.7 | 177.3 | 170 | 0 | 0 | 0 | 0 | 110.9 | I66 Q67 G73 | I66-V70 HydrophobicContact CG2-CG2 4.44Å; I66-V70 WeakPolarHBondContact O-CG2 3.41Å; I66-V70 PolarHBondContact O-N 3.38Å; Q67-V70 PolarHBondContact O-N 2.92Å; V70-G73 PolarHBondContact O-N 3.39Å |
| 71 | L | 71.4 | Confident | 71.5 | Confident | 137 Ų | 137 | 98.9 Ų | 98.9 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.1 | -34.6 | 178.4 | -74.4 | 166.5 | 0 | 0 | 0 | 112.7 | Q67 G73 | Q67-L71 HydrophobicContact CG-CD1 3.99Å; Q67-L71 WeakPolarHBondContact O-CB 3.24Å; Q67-L71 WeakPolarHBondContact O-CG 3.49Å; Q67-L71 PolarHBondContact O-N 2.98Å; L71-G73 PolarHBondContact O-N 2.97Å; L71-G73 VanDerWaalsContact O-N 3.12Å |
| 72 | S | 67.4 | Low | 70 | Confident | 67 Ų | 67 | 97.9 Ų | 97.9 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -3.4 | 178.6 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | S68 N74 | S68-S72 WeakPolarHBondContact O-CB 3.46Å; S68-S72 PolarHBondContact O-N 2.91Å; S68-S72 PolarHBondContact O-OG 3.49Å; S72-N74 PolarHBondContact O-N 3.43Å |
| 73 | G | 58.7 | Low | 68.2 | Low | 27 Ų | 27 | 100 Ų | 100 | 28% | 0.278 | 53% | 0.525 | S | S | . | . | trans | 61.5 | 4.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V70 L71 T76 G77 | V70-G73 PolarHBondContact O-N 3.39Å; L71-G73 PolarHBondContact O-N 2.97Å; L71-G73 VanDerWaalsContact O-N 3.12Å; G73-T76 WeakPolarHBondContact CA-OG1 3.39Å; G73-T76 PolarHBondContact O-OG1 2.99Å; G73-G77 PolarHBondContact O-N 3.4Å | ||
| 74 | N | 55.6 | Low | 66.5 | Low | 122 Ų | 122 | 97.9 Ų | 97.9 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -78.1 | -27.3 | -175.8 | -84.7 | -26.4 | 0 | 0 | 0 | 112.4 | S72 V78 | S72-N74 PolarHBondContact O-N 3.43Å; N74-V78 PolarHBondContact O-N 2.96Å |
| 75 | F | 54.8 | Low | 64.9 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.5 | -38.7 | 173.7 | -170.4 | -121.5 | 0 | 0 | 0 | 111.7 | M79 | F75-M79 HydrophobicContact CD1-CE 3.34Å; F75-M79 HydrophobicContact CD2-CE 4.18Å; F75-M79 HydrophobicContact CE1-CE 3.01Å; F75-M79 HydrophobicContact CE1-SD 4.18Å; F75-M79 HydrophobicContact CE2-CE 3.89Å; F75-M79 HydrophobicContact CE2-SD 4.32Å; F75-M79 HydrophobicContact CG-CE 3.93Å; F75-M79 HydrophobicContact CZ-CE 3.3Å; F75-M79 HydrophobicContact CZ-SD 3.88Å; F75-M79 PolarHBondContact O-N 3.4Å |
| 76 | T | 52.7 | Low | 63.6 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.9 | -32.3 | 171.6 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | G73 V78 A80 | G73-T76 WeakPolarHBondContact CA-OG1 3.39Å; G73-T76 PolarHBondContact O-OG1 2.99Å; T76-V78 PolarHBondContact O-N 2.92Å; T76-A80 VanDerWaalsContact O-CA 3.25Å; T76-A80 WeakPolarHBondContact O-CA 3.18Å; T76-A80 WeakPolarHBondContact O-CB 3.26Å; T76-A80 PolarHBondContact O-N 3.46Å |
| 77 | G | 54.1 | Low | 62.4 | Low | 36 Ų | 36 | 106.3 Ų | 106.3 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.3 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G73 R81 | G73-G77 PolarHBondContact O-N 3.4Å; G77-R81 WeakPolarHBondContact O-CB 3.41Å; G77-R81 PolarHBondContact O-N 3.04Å |
| 78 | V | 54.6 | Low | 61.2 | Low | 111 Ų | 111 | 108.5 Ų | 108.5 | 67% | 0.673 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75 | -43.6 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | N74 T76 S82 | N74-V78 PolarHBondContact O-N 2.96Å; T76-V78 PolarHBondContact O-N 2.92Å; V78-S82 WeakPolarHBondContact O-CB 3.48Å; V78-S82 PolarHBondContact O-N 3.03Å |
| 79 | M | 54.1 | Low | 60 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 34% | 0.335 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.3 | -36.3 | 177.1 | -75.1 | -164.7 | -62.3 | 0 | 0 | 113.4 | F75 S82 R83 | F75-M79 HydrophobicContact CD1-CE 3.34Å; F75-M79 HydrophobicContact CD2-CE 4.18Å; F75-M79 HydrophobicContact CE1-CE 3.01Å; F75-M79 HydrophobicContact CE1-SD 4.18Å; F75-M79 HydrophobicContact CE2-CE 3.89Å; F75-M79 HydrophobicContact CE2-SD 4.32Å; F75-M79 HydrophobicContact CG-CE 3.93Å; F75-M79 HydrophobicContact CZ-CE 3.3Å; F75-M79 HydrophobicContact CZ-SD 3.88Å; F75-M79 PolarHBondContact O-N 3.4Å; M79-S82 PolarHBondContact O-N 2.9Å; M79-R83 WeakPolarHBondContact O-CB 3.31Å; M79-R83 WeakPolarHBondContact O-CG 3.45Å; M79-R83 PolarHBondContact O-N 3.29Å |
| 80 | A | 54 | Low | 59.5 | Low | 41 Ų | 41 | 109.6 Ų | 109.6 | 34% | 0.339 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.8 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T76 S82 R83 L84 | T76-A80 VanDerWaalsContact O-CA 3.25Å; T76-A80 WeakPolarHBondContact O-CA 3.18Å; T76-A80 WeakPolarHBondContact O-CB 3.26Å; T76-A80 PolarHBondContact O-N 3.46Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.13Å; A80-R83 PolarHBondContact O-N 2.89Å; A80-L84 HydrophobicContact CB-CD1 4.31Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 VanDerWaalsContact O-CD1 3.3Å; A80-L84 WeakPolarHBondContact O-CD1 3.47Å; A80-L84 WeakPolarHBondContact O-CG 3.37Å; A80-L84 PolarHBondContact O-N 3.4Å |
| 81 | R | 59 | Low | 59.2 | Low | 203 Ų | 203 | 109.4 Ų | 109.4 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.1 | -39.7 | 173.6 | -174.5 | 170.4 | -177.4 | 149.8 | -0.2 | 112 | G77 H85 | G77-R81 WeakPolarHBondContact O-CB 3.41Å; G77-R81 PolarHBondContact O-N 3.04Å; R81-H85 WeakPolarHBondContact O-CB 3.31Å; R81-H85 PolarHBondContact O-N 3.31Å; R81-H85 VanDerWaalsContact O-N 3.09Å |
| 82 | S | 62.1 | Low | 59.4 | Low | 76 Ų | 76 | 105.7 Ų | 105.7 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 173.6 | 173.2 | 0 | 0 | 0 | 0 | 112.6 | V78 M79 A80 | V78-S82 WeakPolarHBondContact O-CB 3.48Å; V78-S82 PolarHBondContact O-N 3.03Å; M79-S82 PolarHBondContact O-N 2.9Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.13Å |
| 83 | R | 55.6 | Low | 60 | Low | 181 Ų | 181 | 106.9 Ų | 106.9 | 68% | 0.683 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.3 | -34.4 | 178.9 | -70.9 | 174.6 | -176.1 | -164.7 | 2.1 | 113.1 | M79 A80 H85 N87 | M79-R83 WeakPolarHBondContact O-CB 3.31Å; M79-R83 WeakPolarHBondContact O-CG 3.45Å; M79-R83 PolarHBondContact O-N 3.29Å; A80-R83 PolarHBondContact O-N 2.89Å; R83-H85 VanDerWaalsContact C-N 3.35Å; R83-N87 PolarHBondContact O-N 3.23Å |
| 84 | L | 56.1 | Low | 61.2 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.5 | -31.9 | 175.9 | -74.4 | 162.9 | 0 | 0 | 0 | 111.6 | A80 K86 N87 K88 | A80-L84 HydrophobicContact CB-CD1 4.31Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 VanDerWaalsContact O-CD1 3.3Å; A80-L84 WeakPolarHBondContact O-CD1 3.47Å; A80-L84 WeakPolarHBondContact O-CG 3.37Å; A80-L84 PolarHBondContact O-N 3.4Å; L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.48Å; L84-N87 PolarHBondContact O-N 2.91Å; L84-K88 WeakPolarHBondContact O-CA 3.27Å; L84-K88 WeakPolarHBondContact O-CB 3.47Å; L84-K88 PolarHBondContact O-N 3.35Å |
| 85 | H | 57.2 | Low | 62.4 | Low | 146 Ų | 146 | 106.5 Ų | 106.5 | 68% | 0.676 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -28.2 | 179.8 | -152.1 | 81.6 | 0 | 0 | 0 | 113 | R81 R83 | R81-H85 WeakPolarHBondContact O-CB 3.31Å; R81-H85 PolarHBondContact O-N 3.31Å; R81-H85 VanDerWaalsContact O-N 3.09Å; R83-H85 VanDerWaalsContact C-N 3.35Å |
| 86 | K | 60.3 | Low | 64 | Low | 179 Ų | 179 | 107.1 Ų | 107.1 | 78% | 0.778 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -87.7 | -16.1 | 176.4 | -71.5 | -176.2 | 177.1 | -177.4 | 0 | 114.3 | L84 | L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.48Å |
| 87 | N | 60.2 | Low | 65.8 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -116.9 | 9.8 | -179.2 | -91.7 | -4.2 | 0 | 0 | 0 | 113.4 | R83 L84 D89 K90 | R83-N87 PolarHBondContact O-N 3.23Å; L84-N87 PolarHBondContact O-N 2.91Å; N87-D89 PolarHBondContact O-N 2.95Å; N87-D89 VanDerWaalsContact O-N 3.16Å; N87-K90 WeakPolarHBondContact O-CA 3.45Å; N87-K90 WeakPolarHBondContact O-CB 3.32Å; N87-K90 PolarHBondContact O-N 3.46Å |
| 88 | K | 61.3 | Low | 67.4 | Low | 136 Ų | 136 | 114.2 Ų | 114.2 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -59.6 | -29.4 | -178.6 | -133.1 | 175 | 177.3 | -169.8 | 0 | 112.4 | L84 K90 D91 | L84-K88 WeakPolarHBondContact O-CA 3.27Å; L84-K88 WeakPolarHBondContact O-CB 3.47Å; L84-K88 PolarHBondContact O-N 3.35Å; K88-K90 PolarHBondContact O-N 3.46Å; K88-D91 WeakPolarHBondContact O-CB 3.4Å; K88-D91 PolarHBondContact O-N 2.98Å |
| 89 | D | 58.8 | Low | 69.2 | Low | 92 Ų | 92 | 116 Ų | 116 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -71.4 | -12.2 | 176.5 | -42.4 | -16.4 | 0 | 0 | 0 | 113.3 | N87 | N87-D89 PolarHBondContact O-N 2.95Å; N87-D89 VanDerWaalsContact O-N 3.16Å |
| 90 | K | 64 | Low | 71.1 | Confident | 153 Ų | 153 | 116.8 Ų | 116.8 | 67% | 0.665 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -104.2 | 7.7 | 178.4 | -63.4 | -177 | -179.4 | 174.8 | 0 | 112.8 | N87 K88 A92 | N87-K90 WeakPolarHBondContact O-CA 3.45Å; N87-K90 WeakPolarHBondContact O-CB 3.32Å; N87-K90 PolarHBondContact O-N 3.46Å; K88-K90 PolarHBondContact O-N 3.46Å; K90-A92 PolarHBondContact O-N 3.47Å |
| 91 | D | 70.7 | Confident | 73 | Confident | 103 Ų | 103 | 120 Ų | 120 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | trans | -64.2 | 130.1 | 174.9 | -147.5 | -4.8 | 0 | 0 | 0 | 108.7 | K88 E93 E94 L95 | K88-D91 WeakPolarHBondContact O-CB 3.4Å; K88-D91 PolarHBondContact O-N 2.98Å; D91-E93 PolarHBondContact O-N 3.29Å; D91-E94 HydrophobicContact CB-CB 4.22Å; D91-E94 WeakPolarHBondContact O-CB 3.34Å; D91-E94 PolarHBondContact O-N 3.47Å; D91-L95 PolarHBondContact O-N 2.97Å | ||
| 92 | A | 75.5 | Confident | 74.7 | Confident | 58 Ų | 58 | 115.8 Ų | 115.8 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.2 | -29.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K90 R96 | K90-A92 PolarHBondContact O-N 3.47Å; A92-R96 WeakPolarHBondContact O-CG 3.22Å; A92-R96 PolarHBondContact O-N 2.93Å; A92-R96 VanDerWaalsContact O-N 3.1Å |
| 93 | E | 81.5 | Confident | 76.3 | Confident | 93 Ų | 93 | 114.3 Ų | 114.3 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.1 | -40.3 | 176 | -168.7 | 57.2 | -159.9 | 0 | 0 | 112.9 | D91 L95 R96 R97 | D91-E93 PolarHBondContact O-N 3.29Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-R96 PolarHBondContact O-N 3.46Å; E93-R96 IonicContact OE2-CZ 2.95Å; E93-R96 IonicContact OE2-NE 2.7Å; E93-R96 PolarHBondContact OE2-NE 3.4Å; E93-R96 IonicContact OE2-NH2 3.04Å; E93-R96 PolarHBondContact OE2-NH2 2.95Å; E93-R97 WeakPolarHBondContact O-CG 3.49Å; E93-R97 PolarHBondContact O-N 2.89Å |
| 94 | E | 82.3 | Confident | 78.2 | Confident | 68 Ų | 68 | 108.3 Ų | 108.3 | 32% | 0.318 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.4 | -178.6 | 58.1 | -158.7 | 0 | 0 | 110.8 | D91 R96 R97 R98 | D91-E94 HydrophobicContact CB-CB 4.22Å; D91-E94 WeakPolarHBondContact O-CB 3.34Å; D91-E94 PolarHBondContact O-N 3.47Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 2.89Å; E94-R97 PolarHBondContact O-N 3.36Å; E94-R98 WeakPolarHBondContact O-CG 3.3Å; E94-R98 PolarHBondContact O-N 2.76Å; E94-R98 IonicContact OE1-CZ 3.95Å; E94-R98 IonicContact OE1-NE 3.27Å; E94-R98 PolarHBondContact OE1-NE 3.42Å; E94-R98 IonicContact OE1-NH2 3.69Å |
| 95 | L | 82.3 | Confident | 80.1 | Confident | 73 Ų | 73 | 109.7 Ų | 109.7 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 173.6 | -142.5 | 81.9 | 0 | 0 | 0 | 111.3 | D91 E93 R97 R98 Y99 | D91-L95 PolarHBondContact O-N 2.97Å; E93-L95 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 3.48Å; L95-R98 PolarHBondContact O-N 2.99Å; L95-Y99 HydrophobicContact CD2-CE2 3.68Å; L95-Y99 HydrophobicContact CG-CD2 4.24Å; L95-Y99 HydrophobicContact CG-CE2 3.75Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.85Å |
| 96 | R | 87.4 | Confident | 81.8 | Confident | 151 Ų | 151 | 107.9 Ų | 107.9 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 175.5 | -81.5 | -168.7 | -79.4 | -119.9 | 1.4 | 112.8 | A92 E93 E94 T100 | A92-R96 WeakPolarHBondContact O-CG 3.22Å; A92-R96 PolarHBondContact O-N 2.93Å; A92-R96 VanDerWaalsContact O-N 3.1Å; E93-R96 PolarHBondContact O-N 3.46Å; E93-R96 IonicContact OE2-CZ 2.95Å; E93-R96 IonicContact OE2-NE 2.7Å; E93-R96 PolarHBondContact OE2-NE 3.4Å; E93-R96 IonicContact OE2-NH2 3.04Å; E93-R96 PolarHBondContact OE2-NH2 2.95Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 2.89Å; R96-T100 PolarHBondContact O-N 2.97Å; R96-T100 VanDerWaalsContact O-N 3.07Å; R96-T100 PolarHBondContact O-OG1 3.01Å |
| 97 | R | 89.8 | Confident | 83.4 | Confident | 151 Ų | 151 | 107.3 Ų | 107.3 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -50.9 | 174.2 | -73 | 179.1 | -179.9 | -169.2 | -2.6 | 111.3 | E93 E94 L95 Y99 T100 D101 | E93-R97 WeakPolarHBondContact O-CG 3.49Å; E93-R97 PolarHBondContact O-N 2.89Å; E94-R97 PolarHBondContact O-N 3.36Å; L95-R97 PolarHBondContact O-N 3.48Å; R97-Y99 PolarHBondContact O-N 3.34Å; R97-T100 WeakPolarHBondContact O-CA 3.27Å; R97-T100 WeakPolarHBondContact O-CB 3.35Å; R97-T100 PolarHBondContact O-N 2.99Å; R97-D101 PolarHBondContact O-N 3.49Å |
| 98 | R | 89.1 | Confident | 85.1 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.7 | -68.4 | -176.1 | -166.6 | -161.7 | 7 | 112.9 | E94 L95 T100 D101 Q102 | E94-R98 WeakPolarHBondContact O-CG 3.3Å; E94-R98 PolarHBondContact O-N 2.76Å; E94-R98 IonicContact OE1-CZ 3.95Å; E94-R98 IonicContact OE1-NE 3.27Å; E94-R98 PolarHBondContact OE1-NE 3.42Å; E94-R98 IonicContact OE1-NH2 3.69Å; L95-R98 PolarHBondContact O-N 2.99Å; R98-T100 VanDerWaalsContact C-N 3.29Å; R98-T100 PolarHBondContact O-N 3.47Å; R98-D101 PolarHBondContact O-N 3.34Å; R98-Q102 WeakPolarHBondContact O-CB 3.49Å; R98-Q102 PolarHBondContact O-N 3Å |
| 99 | Y | 92.4 | Very high | 86.6 | Confident | 150 Ų | 150 | 105.8 Ų | 105.8 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 174.9 | -79.7 | -60.5 | 0 | 0 | 0 | 112.5 | L95 R97 S103 | L95-Y99 HydrophobicContact CD2-CE2 3.68Å; L95-Y99 HydrophobicContact CG-CD2 4.24Å; L95-Y99 HydrophobicContact CG-CE2 3.75Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.85Å; R97-Y99 PolarHBondContact O-N 3.34Å; Y99-S103 WeakPolarHBondContact O-CB 3.45Å; Y99-S103 PolarHBondContact O-N 2.92Å |
| 100 | T | 93.8 | Very high | 88.2 | Confident | 84 Ų | 84 | 108.9 Ų | 108.9 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -48 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | R96 R97 R98 Q102 S103 V104 | R96-T100 PolarHBondContact O-N 2.97Å; R96-T100 VanDerWaalsContact O-N 3.07Å; R96-T100 PolarHBondContact O-OG1 3.01Å; R97-T100 WeakPolarHBondContact O-CA 3.27Å; R97-T100 WeakPolarHBondContact O-CB 3.35Å; R97-T100 PolarHBondContact O-N 2.99Å; R98-T100 VanDerWaalsContact C-N 3.29Å; R98-T100 PolarHBondContact O-N 3.47Å; T100-Q102 VanDerWaalsContact C-N 3.32Å; T100-Q102 PolarHBondContact O-N 2.88Å; T100-S103 WeakPolarHBondContact O-CB 3.47Å; T100-S103 PolarHBondContact O-N 3.32Å; T100-S103 VanDerWaalsContact O-N 3.14Å; T100-V104 WeakPolarHBondContact O-CG2 3.3Å; T100-V104 PolarHBondContact O-N 3.31Å |
| 101 | D | 94 | Very high | 89.7 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 178.3 | -69.1 | -24.2 | 0 | 0 | 0 | 111 | R97 R98 S103 V104 E105 | R97-D101 PolarHBondContact O-N 3.49Å; R98-D101 PolarHBondContact O-N 3.34Å; D101-S103 PolarHBondContact O-N 2.93Å; D101-V104 PolarHBondContact O-N 2.97Å; D101-E105 WeakPolarHBondContact O-CB 3.31Å; D101-E105 PolarHBondContact O-N 3.01Å |
| 102 | Q | 94.7 | Very high | 90.6 | Very high | 114 Ų | 114 | 107.7 Ų | 107.7 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.8 | -164.7 | 178.7 | 31.2 | 0 | 0 | 112.2 | R98 T100 L106 | R98-Q102 WeakPolarHBondContact O-CB 3.49Å; R98-Q102 PolarHBondContact O-N 3Å; T100-Q102 VanDerWaalsContact C-N 3.32Å; T100-Q102 PolarHBondContact O-N 2.88Å; Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 WeakPolarHBondContact O-CG 3.34Å; Q102-L106 PolarHBondContact O-N 2.96Å |
| 103 | S | 94.8 | Very high | 91.4 | Very high | 45 Ų | 45 | 109.6 Ų | 109.6 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.2 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | Y99 T100 D101 R107 | Y99-S103 WeakPolarHBondContact O-CB 3.45Å; Y99-S103 PolarHBondContact O-N 2.92Å; T100-S103 WeakPolarHBondContact O-CB 3.47Å; T100-S103 PolarHBondContact O-N 3.32Å; T100-S103 VanDerWaalsContact O-N 3.14Å; D101-S103 PolarHBondContact O-N 2.93Å; S103-R107 WeakPolarHBondContact O-CG 3.47Å; S103-R107 PolarHBondContact O-N 2.86Å; S103-R107 VanDerWaalsContact O-N 3.16Å; S103-R107 PolarHBondContact OG-NH2 3.31Å |
| 104 | V | 96 | Very high | 91.8 | Very high | 56 Ų | 56 | 110.8 Ų | 110.8 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | T100 D101 L106 R107 K108 | T100-V104 WeakPolarHBondContact O-CG2 3.3Å; T100-V104 PolarHBondContact O-N 3.31Å; D101-V104 PolarHBondContact O-N 2.97Å; V104-L106 PolarHBondContact O-N 3.44Å; V104-R107 PolarHBondContact O-N 3.27Å; V104-K108 HydrophobicContact CG1-CD 4.31Å; V104-K108 WeakPolarHBondContact O-CG 3.46Å; V104-K108 PolarHBondContact O-N 3Å |
| 105 | E | 95 | Very high | 92.1 | Very high | 138 Ų | 138 | 110.6 Ų | 110.6 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 177 | -169.9 | 172.3 | -165.5 | 0 | 0 | 111.5 | D101 R107 K108 A109 | D101-E105 WeakPolarHBondContact O-CB 3.31Å; D101-E105 PolarHBondContact O-N 3.01Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 2.74Å; E105-K108 PolarHBondContact O-N 2.73Å; E105-A109 WeakPolarHBondContact O-CB 3.46Å; E105-A109 PolarHBondContact O-N 3.47Å |
| 106 | L | 94.5 | Very high | 92.2 | Very high | 108 Ų | 108 | 112.3 Ų | 112.3 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 174.7 | -77.7 | 166.8 | 0 | 0 | 0 | 113.1 | Q102 V104 K110 | Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 WeakPolarHBondContact O-CG 3.34Å; Q102-L106 PolarHBondContact O-N 2.96Å; V104-L106 PolarHBondContact O-N 3.44Å; L106-K110 PolarHBondContact O-N 2.95Å |
| 107 | R | 93.9 | Very high | 92 | Very high | 168 Ų | 168 | 111.1 Ų | 111.1 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.7 | -41.4 | 176.6 | -70.8 | 172.5 | -165.9 | 160.9 | 5.4 | 111.6 | S103 V104 E105 K111 | S103-R107 WeakPolarHBondContact O-CG 3.47Å; S103-R107 PolarHBondContact O-N 2.86Å; S103-R107 VanDerWaalsContact O-N 3.16Å; S103-R107 PolarHBondContact OG-NH2 3.31Å; V104-R107 PolarHBondContact O-N 3.27Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 2.74Å; R107-K111 WeakPolarHBondContact O-CB 3.38Å; R107-K111 PolarHBondContact O-N 3.09Å |
| 108 | K | 95.5 | Very high | 91.7 | Very high | 134 Ų | 134 | 109.3 Ų | 109.3 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 174.9 | -74.8 | -179.3 | 179.5 | 179.4 | 0 | 110.7 | V104 E105 K110 K111 D112 | V104-K108 HydrophobicContact CG1-CD 4.31Å; V104-K108 WeakPolarHBondContact O-CG 3.46Å; V104-K108 PolarHBondContact O-N 3Å; E105-K108 PolarHBondContact O-N 2.73Å; K108-K110 PolarHBondContact O-N 2.96Å; K108-K111 PolarHBondContact O-N 3.48Å; K108-K111 VanDerWaalsContact O-N 3.11Å; K108-D112 WeakPolarHBondContact O-CB 3.22Å; K108-D112 PolarHBondContact O-N 2.98Å |
| 109 | A | 92.1 | Very high | 91.2 | Very high | 56 Ų | 56 | 111.1 Ų | 111.1 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | E105 K111 D112 E113 | E105-A109 WeakPolarHBondContact O-CB 3.46Å; E105-A109 PolarHBondContact O-N 3.47Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 3.32Å; A109-D112 PolarHBondContact O-N 3.27Å; A109-E113 WeakPolarHBondContact O-CB 3.41Å; A109-E113 PolarHBondContact O-N 3.03Å |
| 110 | K | 93.6 | Very high | 89.9 | Confident | 157 Ų | 157 | 107.8 Ų | 107.8 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 175 | -82.4 | -174 | 175.8 | -175.7 | 0 | 112.7 | L106 K108 Q114 | L106-K110 PolarHBondContact O-N 2.95Å; K108-K110 PolarHBondContact O-N 2.96Å; K110-Q114 WeakPolarHBondContact O-CB 3.42Å; K110-Q114 PolarHBondContact O-N 3.01Å |
| 111 | K | 94 | Very high | 88.3 | Confident | 137 Ų | 137 | 108.4 Ų | 108.4 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -43.2 | 178.7 | -170.7 | 176.6 | 179.9 | 178.6 | 0 | 111.4 | R107 K108 A109 Q114 L115 | R107-K111 WeakPolarHBondContact O-CB 3.38Å; R107-K111 PolarHBondContact O-N 3.09Å; K108-K111 PolarHBondContact O-N 3.48Å; K108-K111 VanDerWaalsContact O-N 3.11Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 3.32Å; K111-Q114 PolarHBondContact O-N 2.97Å; K111-L115 HydrophobicContact CG-CD1 4.23Å; K111-L115 WeakPolarHBondContact O-CB 3.48Å; K111-L115 VanDerWaalsContact O-CG 3.31Å; K111-L115 WeakPolarHBondContact O-CG 3.26Å; K111-L115 PolarHBondContact O-N 2.89Å |
| 112 | D | 91.5 | Very high | 86.4 | Confident | 94 Ų | 94 | 109 Ų | 109 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 178.4 | -77.9 | -10.3 | 0 | 0 | 0 | 111.6 | K108 A109 Q114 L115 Q116 | K108-D112 WeakPolarHBondContact O-CB 3.22Å; K108-D112 PolarHBondContact O-N 2.98Å; A109-D112 PolarHBondContact O-N 3.27Å; D112-Q114 VanDerWaalsContact C-N 3.35Å; D112-L115 PolarHBondContact O-N 3.35Å; D112-Q116 VanDerWaalsContact O-CB 3.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.39Å; D112-Q116 PolarHBondContact O-N 3.06Å |
| 113 | E | 90.4 | Very high | 84.5 | Confident | 99 Ų | 99 | 110 Ų | 110 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 174.9 | -159.1 | -166.8 | 156.6 | 0 | 0 | 111.3 | A109 Q116 K117 | A109-E113 WeakPolarHBondContact O-CB 3.41Å; A109-E113 PolarHBondContact O-N 3.03Å; E113-Q116 PolarHBondContact O-N 2.93Å; E113-K117 VanDerWaalsContact O-CG 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.32Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 WeakPolarHBondContact OE1-CE 3.47Å; E113-K117 IonicContact OE1-NZ 3.44Å; E113-K117 PolarHBondContact OE1-NZ 3.34Å |
| 114 | Q | 89.8 | Confident | 82.5 | Confident | 117 Ų | 117 | 113 Ų | 113 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.4 | -172.8 | 179.4 | 12.8 | 0 | 0 | 111.8 | K110 K111 D112 Q116 K117 Q118 | K110-Q114 WeakPolarHBondContact O-CB 3.42Å; K110-Q114 PolarHBondContact O-N 3.01Å; K111-Q114 PolarHBondContact O-N 2.97Å; D112-Q114 VanDerWaalsContact C-N 3.35Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q114-K117 PolarHBondContact O-N 3.47Å; Q114-Q118 WeakPolarHBondContact O-CG 2.92Å; Q114-Q118 PolarHBondContact O-N 3.47Å |
| 115 | L | 89 | Confident | 80.5 | Confident | 65 Ų | 65 | 115.5 Ų | 115.5 | 34% | 0.34 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -35.1 | 176.9 | -72.2 | 172 | 0 | 0 | 0 | 112 | K111 D112 Q118 R119 | K111-L115 HydrophobicContact CG-CD1 4.23Å; K111-L115 WeakPolarHBondContact O-CB 3.48Å; K111-L115 VanDerWaalsContact O-CG 3.31Å; K111-L115 WeakPolarHBondContact O-CG 3.26Å; K111-L115 PolarHBondContact O-N 2.89Å; D112-L115 PolarHBondContact O-N 3.35Å; L115-Q118 PolarHBondContact O-N 3.36Å; L115-R119 WeakPolarHBondContact O-CB 3.29Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.32Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 PolarHBondContact O-NE 3.08Å |
| 116 | Q | 84.5 | Confident | 78.4 | Confident | 109 Ų | 109 | 114.7 Ų | 114.7 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.7 | -41.8 | 175.5 | -172.1 | 174.1 | 6.4 | 0 | 0 | 111.2 | D112 E113 Q114 Q118 R119 N120 | D112-Q116 VanDerWaalsContact O-CB 3.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.39Å; D112-Q116 PolarHBondContact O-N 3.06Å; E113-Q116 PolarHBondContact O-N 2.93Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-Q118 VanDerWaalsContact C-N 3.34Å; Q116-Q118 PolarHBondContact O-N 2.95Å; Q116-R119 PolarHBondContact O-N 3.42Å; Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 3.28Å |
| 117 | K | 84.7 | Confident | 76.2 | Confident | 126 Ų | 126 | 116.4 Ų | 116.4 | 55% | 0.548 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -42.3 | 173.1 | -72.4 | 170.7 | -174 | 169.4 | 0 | 111.6 | E113 Q114 I121 | E113-K117 VanDerWaalsContact O-CG 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.32Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 WeakPolarHBondContact OE1-CE 3.47Å; E113-K117 IonicContact OE1-NZ 3.44Å; E113-K117 PolarHBondContact OE1-NZ 3.34Å; Q114-K117 PolarHBondContact O-N 3.47Å; K117-I121 WeakPolarHBondContact O-CG1 3.36Å; K117-I121 PolarHBondContact O-N 3.38Å |
| 118 | Q | 83.1 | Confident | 74.2 | Confident | 113 Ų | 113 | 116 Ų | 116 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -38.6 | 176 | -71.8 | 179.2 | -1.3 | 0 | 0 | 113.5 | Q114 L115 Q116 I121 | Q114-Q118 WeakPolarHBondContact O-CG 2.92Å; Q114-Q118 PolarHBondContact O-N 3.47Å; L115-Q118 PolarHBondContact O-N 3.36Å; Q116-Q118 VanDerWaalsContact C-N 3.34Å; Q116-Q118 PolarHBondContact O-N 2.95Å; Q118-I121 PolarHBondContact O-N 3.17Å |
| 119 | R | 77.9 | Confident | 71.6 | Confident | 156 Ų | 156 | 113.6 Ų | 113.6 | 59% | 0.589 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.9 | -34.2 | 178.2 | -75.2 | -178.4 | -69.6 | -176.7 | 0.2 | 112.9 | L115 Q116 I121 L122 | L115-R119 WeakPolarHBondContact O-CB 3.29Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.32Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 PolarHBondContact O-NE 3.08Å; Q116-R119 PolarHBondContact O-N 3.42Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.26Å; R119-L122 PolarHBondContact O-N 3.16Å |
| 120 | N | 65.3 | Low | 69.2 | Low | 80 Ų | 80 | 115 Ų | 115 | 43% | 0.428 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.4 | -19.5 | 177.3 | -79.1 | -12.3 | 0 | 0 | 0 | 113.4 | Q116 L122 L123 T124 | Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 3.28Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 PolarHBondContact O-N 3.06Å; N120-L123 PolarHBondContact O-N 3.35Å; N120-T124 PolarHBondContact O-N 3.07Å; N120-T124 VanDerWaalsContact O-N 3.1Å; N120-T124 PolarHBondContact O-OG1 3.37Å |
| 121 | I | 59.4 | Low | 66.8 | Low | 97 Ų | 97 | 113.3 Ų | 113.3 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.7 | -35.5 | 172.7 | -66.1 | 164.1 | 0 | 0 | 0 | 110.4 | K117 Q118 R119 L123 E125 | K117-I121 WeakPolarHBondContact O-CG1 3.36Å; K117-I121 PolarHBondContact O-N 3.38Å; Q118-I121 PolarHBondContact O-N 3.17Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.26Å; I121-L123 VanDerWaalsContact C-N 3.35Å; I121-L123 PolarHBondContact O-N 3.4Å; I121-E125 PolarHBondContact O-N 3.47Å |
| 122 | L | 54.5 | Low | 64.4 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.2 | -15.9 | 176.8 | -104.1 | 168.1 | 0 | 0 | 0 | 114.7 | R119 N120 L126 | R119-L122 PolarHBondContact O-N 3.16Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 PolarHBondContact O-N 3.06Å; L122-L126 HydrophobicContact CD2-CD1 4.03Å; L122-L126 VanDerWaalsContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CB 3.3Å |
| 123 | L | 54.7 | Low | 61.9 | Low | 137 Ų | 137 | 118.8 Ų | 118.8 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -100.2 | -21.2 | -179.5 | -88 | 149.5 | 0 | 0 | 0 | 112.9 | N120 I121 | N120-L123 PolarHBondContact O-N 3.35Å; I121-L123 VanDerWaalsContact C-N 3.35Å; I121-L123 PolarHBondContact O-N 3.4Å |
| 124 | T | 53.3 | Low | 59.5 | Low | 107 Ų | 107 | 123 Ų | 123 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -101.1 | -28.1 | 179 | -52.2 | 0 | 0 | 0 | 0 | 112.9 | N120 | N120-T124 PolarHBondContact O-N 3.07Å; N120-T124 VanDerWaalsContact O-N 3.1Å; N120-T124 PolarHBondContact O-OG1 3.37Å |
| 125 | E | 53.4 | Low | 57.2 | Low | 109 Ų | 109 | 126.3 Ų | 126.3 | 51% | 0.509 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -97.3 | -11.5 | 177.4 | -77.4 | -175.9 | 161.4 | 0 | 0 | 114.7 | I121 D127 E128 T129 | I121-E125 PolarHBondContact O-N 3.47Å; E125-D127 PolarHBondContact O-N 3.04Å; E125-E128 PolarHBondContact O-N 3.48Å; E125-T129 CarbonylContact O-C 3.46Å; E125-T129 PolarHBondContact O-N 3.13Å |
| 126 | L | 50.6 | Low | 54.8 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 63% | 0.634 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -11.6 | 176.5 | -152.9 | 81.3 | 0 | 0 | 0 | 113.3 | L122 | L122-L126 HydrophobicContact CD2-CD1 4.03Å; L122-L126 VanDerWaalsContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CB 3.3Å |
| 127 | D | 48.6 | Very low | 52.8 | Low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -16.8 | 171.9 | -153.2 | 22.9 | 0 | 0 | 0 | 112.9 | E125 | E125-D127 PolarHBondContact O-N 3.04Š|
| 128 | E | 51.3 | Low | 50.5 | Low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -17 | -172.1 | -68 | -71.7 | 157.4 | 0 | 0 | 114.8 | E125 | E125-E128 PolarHBondContact O-N 3.48Š|
| 129 | T | 42.7 | Very low | 48.5 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 52% | 0.521 | 70% | 0.698 | S | S | . | * | trans | -151.8 | 72.9 | 177.1 | 43.2 | 0 | 0 | 0 | 0 | 112.4 | E125 P131 | E125-T129 CarbonylContact O-C 3.46Å; E125-T129 PolarHBondContact O-N 3.13Å; T129-P131 WeakPolarHBondContact O-CD 3.47Å | ||
| 130 | S | 40.1 | Very low | 46.9 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -76 | 106 | 161.2 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L132 | S130-L132 PolarHBondContact O-N 2.89Å; S130-L132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | P | 44.2 | Very low | 45.7 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | -91.2 | 59.3 | 178.3 | 34.1 | -18.6 | 0 | 0 | 0 | 107.7 | T129 | T129-P131 WeakPolarHBondContact O-CD 3.47Š| ||
| 132 | L | 42.6 | Very low | 45 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -127.5 | 39.3 | -179.7 | -126.9 | 101.4 | 0 | 0 | 0 | 112.6 | S130 | S130-L132 PolarHBondContact O-N 2.89Å; S130-L132 VanDerWaalsContact O-N 3.09Å | ||
| 133 | K | 40.5 | Very low | 44.8 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -144.5 | 73.2 | 163.9 | -74.3 | -171.1 | 179.4 | 179.6 | 0 | 110.5 | ||
| 134 | E | 38.3 | Very low | 44.7 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -169.7 | 142.6 | 142.9 | -120.6 | 167.3 | 163.6 | 0 | 0 | 112.5 | ||||
| 135 | K | 42.2 | Very low | 45.2 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | 88.5 | 71.2 | 173.9 | -56.3 | -177.2 | -179.3 | -178.5 | 0 | 116.7 | V137 | K135-V137 PolarHBondContact O-N 3.32Š| ||
| 136 | Q | 39.3 | Very low | 45.4 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | -52.5 | 119.3 | 119.5 | -81.8 | 177.6 | -49.4 | 0 | 0 | 107.3 | |||||
| 137 | V | 41.3 | Very low | 46 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 169.5 | 114.9 | 150 | 156.6 | 0 | 0 | 0 | 0 | 107.6 | K135 | K135-V137 PolarHBondContact O-N 3.32Š| ||
| 138 | D | 37.1 | Very low | 46.6 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | 68.8 | 108.5 | 155.6 | -58.1 | -21.6 | 0 | 0 | 0 | 122.7 | ||||
| 139 | T | 40.5 | Very low | 47.3 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -29.8 | 158.3 | 147.2 | -11 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 140 | P | 44.1 | Very low | 48.2 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -157.9 | -175.2 | 33.7 | 37.3 | -10.6 | 0 | 0 | 0 | 119.4 | ||||
| 141 | K | 40.3 | Very low | 49.2 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 101.3 | 98.2 | 153.9 | -62.5 | 178.9 | -176.1 | 176.1 | 0 | 118.5 | L143 | K141-L143 PolarHBondContact O-N 3.06Š| ||
| 142 | H | 46.1 | Very low | 49.6 | Very low | 180 Ų | 180 | 156.3 Ų | 156.3 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -43.2 | 112.8 | 151.7 | -177.9 | -88.4 | 0 | 0 | 0 | 111.3 | N144 | H142-N144 PolarHBondContact O-N 3.38Š| ||
| 143 | L | 50.4 | Low | 50 | Low | 138 Ų | 138 | 156.8 Ų | 156.8 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -79.7 | 116.1 | 173.8 | -69.6 | 170.2 | 0 | 0 | 0 | 109 | K141 | K141-L143 PolarHBondContact O-N 3.06Š| ||
| 144 | N | 52.1 | Low | 50.5 | Low | 113 Ų | 113 | 154.6 Ų | 154.6 | 60% | 0.604 | 80% | 0.798 | S | S | * | * | trans | -83.4 | 131.7 | 173.2 | -173.5 | 5.9 | 0 | 0 | 0 | 109.6 | H142 D146 | H142-N144 PolarHBondContact O-N 3.38Å; N144-D146 PolarHBondContact OD1-OD2 3.31Å | ||
| 145 | Y | 63.1 | Low | 51.1 | Low | 193 Ų | 193 | 152.7 Ų | 152.7 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -90.8 | 5.7 | -171.9 | -75 | -79.8 | 0 | 0 | 0 | 115 | V147 | Y145-V147 VanDerWaalsContact C-N 3.3Å; Y145-V147 PolarHBondContact O-N 3.46Å | ||
| 146 | D | 59 | Low | 51.7 | Low | 128 Ų | 128 | 150.7 Ų | 150.7 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 13.1 | -169.9 | -61.1 | -23.2 | 0 | 0 | 0 | 115.8 | N144 | N144-D146 PolarHBondContact OD1-OD2 3.31Š|
| 147 | V | 62.7 | Low | 52.4 | Low | 135 Ų | 135 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 30.2 | -177.4 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | Y145 | Y145-V147 VanDerWaalsContact C-N 3.3Å; Y145-V147 PolarHBondContact O-N 3.46Å |
| 148 | V | 61.6 | Low | 53.2 | Low | 131 Ų | 131 | 149.7 Ų | 149.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -129.2 | 56.8 | 169.7 | -164 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 149 | I | 66 | Low | 54.3 | Low | 153 Ų | 153 | 149.7 Ų | 149.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -110.9 | 114.5 | 155.4 | -57 | 178.5 | 0 | 0 | 0 | 104.9 | D151 | I149-D151 PolarHBondContact O-N 2.88Š| ||
| 150 | P | 61.9 | Low | 55.4 | Low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 122.3 | 170.1 | 25.6 | -22.2 | 0 | 0 | 0 | 107 | ||||
| 151 | D | 60.2 | Low | 56.4 | Low | 142 Ų | 142 | 154.9 Ų | 154.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -60.4 | 155.4 | 171.6 | -152.2 | 11.9 | 0 | 0 | 0 | 109.9 | I149 | I149-D151 PolarHBondContact O-N 2.88Š| ||
| 152 | M | 53 | Low | 57.8 | Low | 248 Ų | 248 | 152.5 Ų | 152.5 | 100% | 1.222 | 79% | 0.794 | S | S | * | * | trans | -59.9 | 0 | -163.8 | -29.3 | -169.2 | -167.2 | 0 | 0 | 114.5 |
Retrieved 152 of 152 residues in 113.9 ms
(Link to these results)