| 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 | 59.7 | Low | 79.2 | Confident | 157 Ų | 157 | 108.7 Ų | 108.7 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | 0 | 132.1 | 0 | -92.3 | -178.5 | -78.4 | 0 | 0 | 108 | W6 L9 | M1-W6 HydrophobicContact CE-CZ2 4.45Å; M1-L9 HydrophobicContact CE-CD1 4.25Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.13Å | |||
| 2 | D | 78.6 | Confident | 80 | Confident | 93 Ų | 93 | 109.5 Ų | 109.5 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | trans | -74.6 | 170 | 172.3 | 60.9 | 2.2 | 0 | 0 | 0 | 110.8 | L4 S5 W6 | D2-L4 PolarHBondContact O-N 2.76Å; D2-S5 PolarHBondContact O-N 3.16Å; D2-S5 WeakPolarHBondContact OD1-CB 3.33Å; D2-S5 PolarHBondContact OD1-N 2.98Å; D2-S5 PolarHBondContact OD1-OG 2.88Å; D2-W6 PolarHBondContact O-N 3.02Å | ||
| 3 | A | 75.6 | Confident | 80.5 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 69% | 0.686 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.8 | -32.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | W6 L7 | A3-W6 PolarHBondContact O-N 3.08Å; A3-L7 WeakPolarHBondContact O-CB 3.28Å; A3-L7 PolarHBondContact O-N 2.83Å |
| 4 | L | 77.7 | Confident | 81.1 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 62% | 0.618 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -45.7 | 177.1 | -169.2 | 83.8 | 0 | 0 | 0 | 111.6 | D2 W6 L7 L8 | D2-L4 PolarHBondContact O-N 2.76Å; L4-W6 VanDerWaalsContact C-N 3.29Å; L4-W6 PolarHBondContact O-N 3.4Å; L4-L7 PolarHBondContact O-N 2.94Å; L4-L8 HydrophobicContact CG-CD1 4.38Å; L4-L8 PolarHBondContact O-N 3.05Å |
| 5 | S | 77.2 | Confident | 81.3 | Confident | 43 Ų | 43 | 103 Ų | 103 | 30% | 0.301 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.3 | -39.4 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | D2 L9 | D2-S5 PolarHBondContact O-N 3.16Å; D2-S5 WeakPolarHBondContact OD1-CB 3.33Å; D2-S5 PolarHBondContact OD1-N 2.98Å; D2-S5 PolarHBondContact OD1-OG 2.88Å; S5-L9 WeakPolarHBondContact O-CB 3.4Å; S5-L9 WeakPolarHBondContact O-CG 3.13Å; S5-L9 PolarHBondContact O-N 3.4Å |
| 6 | W | 82.5 | Confident | 81.7 | Confident | 152 Ų | 152 | 98.6 Ų | 98.6 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 173.9 | -87.6 | 110.3 | 0 | 0 | 0 | 112.3 | M1 D2 A3 L4 L9 C10 | M1-W6 HydrophobicContact CE-CZ2 4.45Å; D2-W6 PolarHBondContact O-N 3.02Å; A3-W6 PolarHBondContact O-N 3.08Å; L4-W6 VanDerWaalsContact C-N 3.29Å; L4-W6 PolarHBondContact O-N 3.4Å; W6-L9 PolarHBondContact O-N 3.22Å; W6-C10 PolarHBondContact O-N 3.25Å; W6-C10 PolarHBondContact O-SG 2.98Å; W6-C10 VanDerWaalsContact O-SG 3.32Å |
| 7 | L | 81.9 | Confident | 82.1 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -39.4 | -179.5 | -155.4 | 145.1 | 0 | 0 | 0 | 111.6 | A3 L4 C10 W11 | A3-L7 WeakPolarHBondContact O-CB 3.28Å; A3-L7 PolarHBondContact O-N 2.83Å; L4-L7 PolarHBondContact O-N 2.94Å; L7-C10 PolarHBondContact O-N 3.36Å; L7-W11 WeakPolarHBondContact O-CB 3.14Å; L7-W11 PolarHBondContact O-N 3.49Å |
| 8 | L | 83.9 | Confident | 82.3 | Confident | 98 Ų | 98 | 96.4 Ų | 96.4 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 172.4 | -80.2 | 166.4 | 0 | 0 | 0 | 112.1 | L4 C10 W11 I12 | L4-L8 HydrophobicContact CG-CD1 4.38Å; L4-L8 PolarHBondContact O-N 3.05Å; L8-C10 VanDerWaalsContact C-N 3.35Å; L8-C10 PolarHBondContact O-N 3.49Å; L8-W11 PolarHBondContact O-N 3.19Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.48Å |
| 9 | L | 83.5 | Confident | 82.5 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.6 | -83.5 | 164 | 0 | 0 | 0 | 112 | M1 S5 W6 W11 I12 G13 | M1-L9 HydrophobicContact CE-CD1 4.25Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.13Å; S5-L9 WeakPolarHBondContact O-CB 3.4Å; S5-L9 WeakPolarHBondContact O-CG 3.13Å; S5-L9 PolarHBondContact O-N 3.4Å; W6-L9 PolarHBondContact O-N 3.22Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.09Å; L9-I12 PolarHBondContact O-N 2.87Å; L9-G13 PolarHBondContact O-N 3.27Å |
| 10 | C | 86.9 | Confident | 82.7 | Confident | 84 Ų | 84 | 99.3 Ų | 99.3 | 57% | 0.568 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -39.7 | 173.8 | -71.5 | 0 | 0 | 0 | 0 | 112 | W6 L7 L8 G13 F14 | W6-C10 PolarHBondContact O-N 3.25Å; W6-C10 PolarHBondContact O-SG 2.98Å; W6-C10 VanDerWaalsContact O-SG 3.32Å; L7-C10 PolarHBondContact O-N 3.36Å; L8-C10 VanDerWaalsContact C-N 3.35Å; L8-C10 PolarHBondContact O-N 3.49Å; C10-G13 PolarHBondContact O-N 3.06Å; C10-F14 WeakPolarHBondContact O-CB 3.19Å; C10-F14 PolarHBondContact O-N 3.41Å |
| 11 | W | 83.5 | Confident | 82.6 | Confident | 175 Ų | 175 | 99.6 Ų | 99.6 | 66% | 0.663 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 176.4 | -100.3 | 81.5 | 0 | 0 | 0 | 112.9 | L7 L8 L9 G13 F14 A15 | L7-W11 WeakPolarHBondContact O-CB 3.14Å; L7-W11 PolarHBondContact O-N 3.49Å; L8-W11 PolarHBondContact O-N 3.19Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.09Å; W11-G13 VanDerWaalsContact C-N 3.31Å; W11-F14 PolarHBondContact O-N 3.5Å; W11-A15 WeakPolarHBondContact O-CB 3.34Å; W11-A15 PolarHBondContact O-N 3.15Å |
| 12 | I | 89.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 96.3 Ų | 96.3 | 61% | 0.605 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 174.2 | -67.4 | 165.7 | 0 | 0 | 0 | 109.9 | L8 L9 A15 G16 | L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.48Å; L9-I12 PolarHBondContact O-N 2.87Å; I12-A15 PolarHBondContact O-N 3.39Å; I12-G16 PolarHBondContact O-N 3.06Å |
| 13 | G | 86.6 | Confident | 83.1 | Confident | 43 Ų | 43 | 96.8 Ų | 96.8 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L9 C10 W11 G16 L17 | L9-G13 PolarHBondContact O-N 3.27Å; C10-G13 PolarHBondContact O-N 3.06Å; W11-G13 VanDerWaalsContact C-N 3.31Å; G13-G16 PolarHBondContact O-N 3.3Å; G13-L17 WeakPolarHBondContact O-CB 3.19Å; G13-L17 PolarHBondContact O-N 3.45Å |
| 14 | F | 88.2 | Confident | 82.9 | Confident | 133 Ų | 133 | 95.3 Ų | 95.3 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 177.2 | -175.1 | -102.4 | 0 | 0 | 0 | 112 | C10 W11 G16 L17 V18 | C10-F14 WeakPolarHBondContact O-CB 3.19Å; C10-F14 PolarHBondContact O-N 3.41Å; W11-F14 PolarHBondContact O-N 3.5Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.44Å; F14-L17 PolarHBondContact O-N 3.08Å; F14-L17 VanDerWaalsContact O-N 3.16Å; F14-V18 HydrophobicContact CD1-CG2 4.12Å; F14-V18 HydrophobicContact CE1-CG2 3.75Å; F14-V18 HydrophobicContact CE2-CG2 4.38Å; F14-V18 HydrophobicContact CZ-CG2 3.89Å; F14-V18 WeakPolarHBondContact O-CG2 3.48Å; F14-V18 PolarHBondContact O-N 3.13Å |
| 15 | A | 84.7 | Confident | 82.2 | Confident | 55 Ų | 55 | 92.7 Ų | 92.7 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W11 I12 V18 Y19 | W11-A15 WeakPolarHBondContact O-CB 3.34Å; W11-A15 PolarHBondContact O-N 3.15Å; I12-A15 PolarHBondContact O-N 3.39Å; A15-V18 PolarHBondContact O-N 3.43Å; A15-Y19 WeakPolarHBondContact O-CB 3.28Å; A15-Y19 PolarHBondContact O-N 3.48Å |
| 16 | G | 87.9 | Confident | 81.4 | Confident | 32 Ų | 32 | 98 Ų | 98 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | I12 G13 F14 Y19 L20 | I12-G16 PolarHBondContact O-N 3.06Å; G13-G16 PolarHBondContact O-N 3.3Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.44Å; G16-Y19 PolarHBondContact O-N 2.8Å; G16-L20 WeakPolarHBondContact O-CB 3.37Å; G16-L20 VanDerWaalsContact O-CG 3.27Å; G16-L20 WeakPolarHBondContact O-CG 3.32Å; G16-L20 PolarHBondContact O-N 3.15Å |
| 17 | L | 87.9 | Confident | 80.3 | Confident | 102 Ų | 102 | 95.4 Ų | 95.4 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 178.3 | -150.3 | 159 | 0 | 0 | 0 | 111.5 | G13 F14 L20 L21 | G13-L17 WeakPolarHBondContact O-CB 3.19Å; G13-L17 PolarHBondContact O-N 3.45Å; F14-L17 PolarHBondContact O-N 3.08Å; F14-L17 VanDerWaalsContact O-N 3.16Å; L17-L20 PolarHBondContact O-N 2.88Å; L17-L21 HydrophobicContact CD2-CD1 3.52Å; L17-L21 HydrophobicContact CD2-CG 4.04Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.85Å |
| 18 | V | 85.7 | Confident | 78.8 | Confident | 57 Ų | 57 | 94.1 Ų | 94.1 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 172.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | F14 A15 L21 L22 | F14-V18 HydrophobicContact CD1-CG2 4.12Å; F14-V18 HydrophobicContact CE1-CG2 3.75Å; F14-V18 HydrophobicContact CE2-CG2 4.38Å; F14-V18 HydrophobicContact CZ-CG2 3.89Å; F14-V18 WeakPolarHBondContact O-CG2 3.48Å; F14-V18 PolarHBondContact O-N 3.13Å; A15-V18 PolarHBondContact O-N 3.43Å; V18-L21 PolarHBondContact O-N 2.77Å; V18-L22 HydrophobicContact CG1-CD1 3.98Å; V18-L22 HydrophobicContact CG1-CG 4.45Å; V18-L22 WeakPolarHBondContact O-CB 3.36Å; V18-L22 WeakPolarHBondContact O-CG 3.2Å; V18-L22 PolarHBondContact O-N 3.21Å |
| 19 | Y | 86.5 | Confident | 76.9 | Confident | 140 Ų | 140 | 98.8 Ų | 98.8 | 55% | 0.549 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 175 | 177.1 | -93.6 | 0 | 0 | 0 | 111.7 | A15 G16 L22 Q23 | A15-Y19 WeakPolarHBondContact O-CB 3.28Å; A15-Y19 PolarHBondContact O-N 3.48Å; G16-Y19 PolarHBondContact O-N 2.8Å; Y19-L22 PolarHBondContact O-N 2.81Å; Y19-Q23 WeakPolarHBondContact O-CB 3.45Å; Y19-Q23 PolarHBondContact O-N 3.24Å |
| 20 | L | 85.6 | Confident | 74.8 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 177.4 | -71.8 | 171.3 | 0 | 0 | 0 | 112.3 | G16 L17 Q23 A24 | G16-L20 WeakPolarHBondContact O-CB 3.37Å; G16-L20 VanDerWaalsContact O-CG 3.27Å; G16-L20 WeakPolarHBondContact O-CG 3.32Å; G16-L20 PolarHBondContact O-N 3.15Å; L17-L20 PolarHBondContact O-N 2.88Å; L20-Q23 PolarHBondContact O-N 2.86Å; L20-A24 VanDerWaalsContact O-CB 3.24Å; L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 3.1Å |
| 21 | L | 80.1 | Confident | 72.7 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -44.8 | 173.9 | -85.5 | 166.4 | 0 | 0 | 0 | 111.4 | L17 V18 A24 S25 | L17-L21 HydrophobicContact CD2-CD1 3.52Å; L17-L21 HydrophobicContact CD2-CG 4.04Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.85Å; V18-L21 PolarHBondContact O-N 2.77Å; L21-A24 PolarHBondContact O-N 3.26Å; L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-OG 3.33Å; L21-S25 VanDerWaalsContact O-OG 3.09Å |
| 22 | L | 74.2 | Confident | 70.4 | Confident | 89 Ų | 89 | 100 Ų | 100 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.6 | -50.2 | 174.6 | -75.3 | 168.5 | 0 | 0 | 0 | 109.8 | V18 Y19 A24 S25 F26 | V18-L22 HydrophobicContact CG1-CD1 3.98Å; V18-L22 HydrophobicContact CG1-CG 4.45Å; V18-L22 WeakPolarHBondContact O-CB 3.36Å; V18-L22 WeakPolarHBondContact O-CG 3.2Å; V18-L22 PolarHBondContact O-N 3.21Å; Y19-L22 PolarHBondContact O-N 2.81Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.12Å; L22-S25 WeakPolarHBondContact CA-OG 3.42Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 2.87Å; L22-F26 HydrophobicContact CB-CD2 4.43Å; L22-F26 HydrophobicContact CD2-CE2 4.28Å; L22-F26 WeakPolarHBondContact O-CB 3.13Å; L22-F26 WeakPolarHBondContact O-CD2 3.29Å; L22-F26 PolarHBondContact O-N 2.81Å |
| 23 | Q | 75.4 | Confident | 67.7 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.5 | -41.8 | 178.9 | -136.1 | -175.6 | 7.5 | 0 | 0 | 112.3 | Y19 L20 F26 S27 | Y19-Q23 WeakPolarHBondContact O-CB 3.45Å; Y19-Q23 PolarHBondContact O-N 3.24Å; L20-Q23 PolarHBondContact O-N 2.86Å; Q23-F26 PolarHBondContact O-N 2.88Å; Q23-S27 VanDerWaalsContact O-CB 3.3Å; Q23-S27 WeakPolarHBondContact O-CB 3.36Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 2.99Å |
| 24 | A | 71.2 | Confident | 65 | Low | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.2 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L20 L21 L22 F26 S27 A28 | L20-A24 VanDerWaalsContact O-CB 3.24Å; L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 3.1Å; L21-A24 PolarHBondContact O-N 3.26Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.12Å; A24-F26 PolarHBondContact O-N 2.78Å; A24-S27 WeakPolarHBondContact CA-OG 3.35Å; A24-S27 PolarHBondContact O-N 2.76Å; A24-S27 PolarHBondContact O-OG 3.35Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.39Å |
| 25 | S | 63.8 | Low | 62.2 | Low | 63 Ų | 63 | 100.6 Ų | 100.6 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.1 | -36.5 | 178.3 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | L21 L22 W29 | L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-OG 3.33Å; L21-S25 VanDerWaalsContact O-OG 3.09Å; L22-S25 WeakPolarHBondContact CA-OG 3.42Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 2.87Å; S25-W29 PolarHBondContact O-N 3.43Å |
| 26 | F | 60.6 | Low | 59.6 | Low | 155 Ų | 155 | 104.4 Ų | 104.4 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.7 | -35.1 | 173.6 | -81.9 | -70.4 | 0 | 0 | 0 | 112.2 | L22 Q23 A24 W29 | L22-F26 HydrophobicContact CB-CD2 4.43Å; L22-F26 HydrophobicContact CD2-CE2 4.28Å; L22-F26 WeakPolarHBondContact O-CB 3.13Å; L22-F26 WeakPolarHBondContact O-CD2 3.29Å; L22-F26 PolarHBondContact O-N 2.81Å; Q23-F26 PolarHBondContact O-N 2.88Å; A24-F26 PolarHBondContact O-N 2.78Å; F26-W29 WeakPolarHBondContact O-CB 3.29Å; F26-W29 PolarHBondContact O-N 2.97Å |
| 27 | S | 58.9 | Low | 57.2 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.2 | -28.9 | 175.1 | 72.1 | 0 | 0 | 0 | 0 | 113.2 | Q23 A24 W29 | Q23-S27 VanDerWaalsContact O-CB 3.3Å; Q23-S27 WeakPolarHBondContact O-CB 3.36Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 2.99Å; A24-S27 WeakPolarHBondContact CA-OG 3.35Å; A24-S27 PolarHBondContact O-N 2.76Å; A24-S27 PolarHBondContact O-OG 3.35Å; S27-W29 VanDerWaalsContact C-N 3.27Å |
| 28 | A | 49.9 | Very low | 54.5 | Low | 80 Ų | 80 | 108.1 Ų | 108.1 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -9.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A24 | A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.39Å |
| 29 | W | 45.1 | Very low | 52 | Low | 195 Ų | 195 | 113.2 Ų | 113.2 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -69.4 | 125.6 | 173.5 | -161.3 | -90.8 | 0 | 0 | 0 | 108.9 | S25 F26 S27 Q31 | S25-W29 PolarHBondContact O-N 3.43Å; F26-W29 WeakPolarHBondContact O-CB 3.29Å; F26-W29 PolarHBondContact O-N 2.97Å; S27-W29 VanDerWaalsContact C-N 3.27Å; W29-Q31 PolarHBondContact O-N 3.19Å |
| 30 | P | 38.8 | Very low | 49.6 | Very low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | trans | -55.2 | 114.7 | 179.8 | -20.1 | 29.9 | 0 | 0 | 0 | 108.9 | A32 | P30-A32 VanDerWaalsContact C-N 3.27Å; P30-A32 PolarHBondContact O-N 3.05Å | ||
| 31 | Q | 42.9 | Very low | 47.1 | Very low | 176 Ų | 176 | 110.6 Ų | 110.6 | 82% | 0.822 | 64% | 0.641 | S | S | * | * | trans | -62.3 | 98.1 | 168.5 | -73.5 | -176.7 | -16.3 | 0 | 0 | 106.4 | W29 A33 | W29-Q31 PolarHBondContact O-N 3.19Å; Q31-A33 PolarHBondContact O-N 3.32Å; Q31-A33 VanDerWaalsContact O-N 3.17Å | ||
| 32 | A | 34.7 | Very low | 44.8 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 76% | 0.76 | 65% | 0.651 | S | S | * | * | trans | -49.2 | 125.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | P30 T34 | P30-A32 VanDerWaalsContact C-N 3.27Å; P30-A32 PolarHBondContact O-N 3.05Å; A32-T34 PolarHBondContact O-N 3.47Å | ||
| 33 | A | 32 | Very low | 42.9 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 76% | 0.76 | 67% | 0.668 | S | S | * | * | trans | -21.6 | 115.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q31 C35 | Q31-A33 PolarHBondContact O-N 3.32Å; Q31-A33 VanDerWaalsContact O-N 3.17Å; A33-C35 PolarHBondContact O-N 3.02Å | ||
| 34 | T | 30.2 | Very low | 40.9 | Very low | 114 Ų | 114 | 116.4 Ų | 116.4 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -47.7 | 100.1 | 168.3 | 47.9 | 0 | 0 | 0 | 0 | 109 | A32 D36 | A32-T34 PolarHBondContact O-N 3.47Å; T34-D36 PolarHBondContact O-N 3.2Å | ||
| 35 | C | 30.9 | Very low | 39 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -77.7 | 109.3 | 174.2 | -162.1 | 0 | 0 | 0 | 0 | 106.9 | A33 H37 | A33-C35 PolarHBondContact O-N 3.02Å; C35-H37 PolarHBondContact O-N 3.13Å | ||
| 36 | D | 30.1 | Very low | 37.5 | Very low | 136 Ų | 136 | 126 Ų | 126 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 24.4 | -172.9 | -97.3 | -25.9 | 0 | 0 | 0 | 116.2 | T34 | T34-D36 PolarHBondContact O-N 3.2Š|
| 37 | H | 35.9 | Very low | 36.1 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -8 | -177 | -80.9 | 77.8 | 0 | 0 | 0 | 114.7 | C35 | C35-H37 PolarHBondContact O-N 3.13Š|
| 38 | A | 32.3 | Very low | 34.7 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 63% | 0.628 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71.7 | -30.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M42 | A38-M42 PolarHBondContact O-N 2.86Å |
| 39 | Q | 33.9 | Very low | 33.7 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -76.4 | -23.9 | -178.4 | -81.2 | -172.4 | -10.1 | 0 | 0 | 113.9 | ||
| 40 | T | 35.9 | Very low | 32.9 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -73.4 | -34.1 | 176.7 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 41 | V | 33.2 | Very low | 32.4 | Very low | 90 Ų | 90 | 122 Ų | 122 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -73.6 | -38 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | K43 A44 L45 | V41-K43 VanDerWaalsContact C-N 3.26Å; V41-K43 PolarHBondContact O-N 2.94Å; V41-A44 PolarHBondContact O-N 2.93Å; V41-L45 HydrophobicContact CG1-CD1 4.07Å |
| 42 | M | 31.7 | Very low | 31.7 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 78% | 0.778 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -65.7 | -25.3 | 178.7 | -74.3 | -150.1 | 123.4 | 0 | 0 | 114.1 | A38 | A38-M42 PolarHBondContact O-N 2.86Å |
| 43 | K | 32.6 | Very low | 31.5 | Very low | 188 Ų | 188 | 122.2 Ų | 122.2 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -78.5 | -20.2 | 172.5 | -84.6 | -177.4 | 176.9 | 174.6 | 0 | 113.8 | V41 | V41-K43 VanDerWaalsContact C-N 3.26Å; V41-K43 PolarHBondContact O-N 2.94Å |
| 44 | A | 34.1 | Very low | 31.4 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 60% | 0.603 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -80.5 | -20.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V41 H46 G47 | V41-A44 PolarHBondContact O-N 2.93Å; A44-H46 VanDerWaalsContact C-N 3.3Å; A44-H46 PolarHBondContact O-N 3.02Å; A44-G47 PolarHBondContact O-N 2.73Å |
| 45 | L | 31.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -2.3 | -176.3 | -93.7 | 119.4 | 0 | 0 | 0 | 115.8 | V41 G47 | V41-L45 HydrophobicContact CG1-CD1 4.07Å; L45-G47 PolarHBondContact O-N 3.39Å |
| 46 | H | 32.5 | Very low | 32.4 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 5 | 169.6 | -78.8 | -125.5 | 0 | 0 | 0 | 113.2 | A44 | A44-H46 VanDerWaalsContact C-N 3.3Å; A44-H46 PolarHBondContact O-N 3.02Å |
| 47 | G | 30.6 | Very low | 33 | Very low | 56 Ų | 56 | 123.9 Ų | 123.9 | 58% | 0.577 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -94.9 | 103.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A44 L45 | A44-G47 PolarHBondContact O-N 2.73Å; L45-G47 PolarHBondContact O-N 3.39Å |
| 48 | T | 30.5 | Very low | 33.7 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | -20.3 | 121.4 | 161.5 | 48.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 49 | G | 29.2 | Very low | 34.8 | Very low | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | trans | 165.6 | 95.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T51 | G49-T51 PolarHBondContact O-N 3.03Å; G49-T51 VanDerWaalsContact O-N 3.13Å; G49-T51 PolarHBondContact O-OG1 3.32Å | ||
| 50 | T | 26.9 | Very low | 36.3 | Very low | 152 Ų | 152 | 121 Ų | 121 | 93% | 0.933 | 73% | 0.729 | S | S | * | * | trans | -51.3 | 109 | 171.7 | 33.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 51 | T | 28 | Very low | 38.2 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -135.4 | 141.9 | 164.5 | 20.8 | 0 | 0 | 0 | 0 | 110.7 | G49 V53 | G49-T51 PolarHBondContact O-N 3.03Å; G49-T51 VanDerWaalsContact O-N 3.13Å; G49-T51 PolarHBondContact O-OG1 3.32Å; T51-V53 PolarHBondContact O-N 3.36Å | ||
| 52 | V | 28.9 | Very low | 40.4 | Very low | 144 Ų | 144 | 115.8 Ų | 115.8 | 87% | 0.873 | 70% | 0.697 | S | S | * | * | trans | -57.6 | 120.6 | -167.8 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | S54 | V52-S54 PolarHBondContact O-N 3.42Š| ||
| 53 | V | 29.9 | Very low | 43 | Very low | 128 Ų | 128 | 116 Ų | 116 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | trans | -67.9 | 112 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | T51 A55 | T51-V53 PolarHBondContact O-N 3.36Å; V53-A55 PolarHBondContact O-N 3.39Å | ||
| 54 | S | 31.6 | Very low | 45.6 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | -62.9 | 115.5 | 157.4 | -52.7 | 0 | 0 | 0 | 0 | 107.2 | V52 E56 | V52-S54 PolarHBondContact O-N 3.42Å; S54-E56 PolarHBondContact O-N 2.79Å | ||
| 55 | A | 39 | Very low | 48.2 | Very low | 96 Ų | 96 | 106.2 Ų | 106.2 | 79% | 0.793 | 64% | 0.635 | S | S | * | * | trans | -58.3 | 107.8 | -178 | 0 | 0 | 0 | 0 | 0 | 109.8 | V53 | V53-A55 PolarHBondContact O-N 3.39Š| ||
| 56 | E | 41.8 | Very low | 50.9 | Low | 173 Ų | 173 | 104.4 Ų | 104.4 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | trans | -54.4 | 137.2 | 168.7 | -81 | 178.6 | 150.7 | 0 | 0 | 108.8 | S54 I58 | S54-E56 PolarHBondContact O-N 2.79Å; E56-I58 PolarHBondContact O-N 3.04Å | ||
| 57 | P | 43.2 | Very low | 53.5 | Low | 98 Ų | 98 | 98.9 Ų | 98.9 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -58.4 | 115.1 | 177.1 | 23.6 | -30.3 | 0 | 0 | 0 | 107.7 | T59 | P57-T59 PolarHBondContact O-N 3.45Š| ||
| 58 | I | 51.2 | Low | 56.1 | Low | 126 Ų | 126 | 97.8 Ų | 97.8 | 65% | 0.646 | 58% | 0.582 | S | S | * | * | trans | -45.8 | 122.1 | 172.5 | -56.2 | 170.5 | 0 | 0 | 0 | 106.2 | E56 S60 T61 | E56-I58 PolarHBondContact O-N 3.04Å; I58-S60 WeakPolarHBondContact CG2-OG 3.37Å; I58-S60 PolarHBondContact O-N 3.49Å; I58-T61 PolarHBondContact O-N 2.87Å; I58-T61 PolarHBondContact O-OG1 3.16Å | ||
| 59 | T | 54.4 | Low | 58.7 | Low | 123 Ų | 123 | 94.5 Ų | 94.5 | 76% | 0.755 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -50.2 | -18.9 | -174 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | P57 T61 | P57-T59 PolarHBondContact O-N 3.45Å; T59-T61 VanDerWaalsContact C-N 3.33Å; T59-T61 PolarHBondContact O-N 3.27Å |
| 60 | S | 66 | Low | 61.3 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -66.8 | -21.3 | 177.7 | 66.1 | 0 | 0 | 0 | 0 | 115.4 | I58 W63 | I58-S60 WeakPolarHBondContact CG2-OG 3.37Å; I58-S60 PolarHBondContact O-N 3.49Å; S60-W63 PolarHBondContact O-NE1 2.98Å |
| 61 | T | 74.5 | Confident | 64 | Low | 16 Ų | 16 | 94.2 Ų | 94.2 | 10% | 0.098 | 52% | 0.521 | C | S | . | . | G | 310 helix | trans | -95.4 | -9.4 | 179.9 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | I58 T59 I64 N65 I129 | I58-T61 PolarHBondContact O-N 2.87Å; I58-T61 PolarHBondContact O-OG1 3.16Å; T59-T61 VanDerWaalsContact C-N 3.33Å; T59-T61 PolarHBondContact O-N 3.27Å; T61-I64 VanDerWaalsContact O-CG2 3.24Å; T61-I64 WeakPolarHBondContact O-CG2 3.35Å; T61-N65 PolarHBondContact O-N 2.8Å; T61-N65 PolarHBondContact O-ND2 3.3Å; T61-I129 HydrophobicContact CG2-CD1 3.97Å; T61-I129 HydrophobicContact CG2-CG1 4.04Å |
| 62 | V | 81.2 | Confident | 66.5 | Low | 68 Ų | 68 | 88.5 Ų | 88.5 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -53.1 | -176.7 | 179 | 0 | 0 | 0 | 0 | 110.3 | I64 N65 E66 | V62-I64 VanDerWaalsContact C-N 3.31Å; V62-I64 PolarHBondContact O-N 3.08Å; V62-N65 PolarHBondContact O-N 3.33Å; V62-E66 HydrophobicContact CG1-CG 4.2Å; V62-E66 WeakPolarHBondContact O-CG 3.17Å; V62-E66 PolarHBondContact O-N 2.7Å |
| 63 | W | 85.4 | Confident | 68.9 | Low | 163 Ų | 163 | 87.1 Ų | 87.1 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.8 | -40.2 | -174.5 | 73.6 | -89 | 0 | 0 | 0 | 112.9 | S60 E66 V67 | S60-W63 PolarHBondContact O-NE1 2.98Å; W63-E66 PolarHBondContact O-N 3.03Å; W63-V67 HydrophobicContact CE3-CG2 4.22Å; W63-V67 WeakPolarHBondContact O-CG2 3.5Å; W63-V67 PolarHBondContact O-N 3.21Å |
| 64 | I | 86.5 | Confident | 71.2 | Confident | 37 Ų | 37 | 84.9 Ų | 84.9 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.3 | -35.9 | -177.3 | -169.8 | 165.9 | 0 | 0 | 0 | 111.1 | T61 V62 V67 I68 L126 I129 | T61-I64 VanDerWaalsContact O-CG2 3.24Å; T61-I64 WeakPolarHBondContact O-CG2 3.35Å; V62-I64 VanDerWaalsContact C-N 3.31Å; V62-I64 PolarHBondContact O-N 3.08Å; I64-V67 PolarHBondContact O-N 3.01Å; I64-I68 HydrophobicContact CG1-CD1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.26Å; I64-I68 PolarHBondContact O-N 3.37Å; I64-L126 HydrophobicContact CD1-CD1 3.79Å; I64-L126 HydrophobicContact CG1-CD1 4.16Å; I64-I129 HydrophobicContact CD1-CD1 4.31Å; I64-I129 HydrophobicContact CG2-CD1 3.72Å |
| 65 | N | 89.7 | Confident | 73.2 | Confident | 19 Ų | 19 | 82.3 Ų | 82.3 | 10% | 0.102 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 174 | -70.9 | -37 | 0 | 0 | 0 | 111.9 | T61 V62 V67 I68 R69 L126 | T61-N65 PolarHBondContact O-N 2.8Å; T61-N65 PolarHBondContact O-ND2 3.3Å; V62-N65 PolarHBondContact O-N 3.33Å; N65-V67 VanDerWaalsContact C-N 3.34Å; N65-I68 PolarHBondContact O-N 2.79Å; N65-R69 WeakPolarHBondContact O-CB 3.3Å; N65-R69 PolarHBondContact O-N 2.74Å; N65-L126 PolarHBondContact ND2-O 3.49Å; N65-L126 PolarHBondContact OD1-N 3.42Å; N65-L126 PolarHBondContact OD1-O 3.3Å |
| 66 | E | 89 | Confident | 74.7 | Confident | 94 Ų | 94 | 82.6 Ų | 82.6 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 169.5 | -67.6 | -50.1 | 127.4 | 0 | 0 | 111.8 | V62 W63 R69 W70 | V62-E66 HydrophobicContact CG1-CG 4.2Å; V62-E66 WeakPolarHBondContact O-CG 3.17Å; V62-E66 PolarHBondContact O-N 2.7Å; W63-E66 PolarHBondContact O-N 3.03Å; E66-R69 PolarHBondContact O-N 2.7Å; E66-R69 IonicContact OE1-CZ 2.71Å; E66-R69 IonicContact OE1-NH1 3.73Å; E66-R69 PolarHBondContact OE1-NH1 3.33Å; E66-R69 IonicContact OE1-NH2 3.6Å; E66-R69 IonicContact OE2-CZ 3.91Å; E66-R69 IonicContact OE2-NH1 3.76Å; E66-R69 PolarHBondContact OE2-NH1 3.49Å; E66-W70 WeakPolarHBondContact O-CB 3.19Å; E66-W70 PolarHBondContact O-N 3.4Å |
| 67 | V | 85.5 | Confident | 75.9 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | W63 I64 N65 W70 I71 | W63-V67 HydrophobicContact CE3-CG2 4.22Å; W63-V67 WeakPolarHBondContact O-CG2 3.5Å; W63-V67 PolarHBondContact O-N 3.21Å; I64-V67 PolarHBondContact O-N 3.01Å; N65-V67 VanDerWaalsContact C-N 3.34Å; V67-W70 PolarHBondContact O-N 3.29Å; V67-I71 HydrophobicContact CG1-CD1 3.98Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 3.26Å |
| 68 | I | 85.7 | Confident | 77.1 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.4 | -66.3 | 163 | 0 | 0 | 0 | 110.6 | I64 N65 W70 I71 V72 P123 P124 L126 | I64-I68 HydrophobicContact CG1-CD1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.26Å; I64-I68 PolarHBondContact O-N 3.37Å; N65-I68 PolarHBondContact O-N 2.79Å; I68-W70 VanDerWaalsContact C-N 3.33Å; I68-W70 PolarHBondContact O-N 3.34Å; I68-I71 PolarHBondContact O-N 3.16Å; I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.1Å; I68-P123 HydrophobicContact CG2-CB 4.29Å; I68-P124 HydrophobicContact CG2-CB 4.29Å; I68-P124 HydrophobicContact CG2-CG 4.4Å; I68-P124 VanDerWaalsContact CG2-O 3.26Å; I68-P124 WeakPolarHBondContact CG2-O 3.35Å; I68-L126 HydrophobicContact CD1-CD1 3.66Å; I68-L126 HydrophobicContact CD1-CG 3.73Å |
| 69 | R | 85.2 | Confident | 78 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.8 | -48.9 | 174.4 | -179.1 | -178.2 | -58.5 | 95.7 | -1.7 | 111 | N65 E66 I71 V72 E73 P123 | N65-R69 WeakPolarHBondContact O-CB 3.3Å; N65-R69 PolarHBondContact O-N 2.74Å; E66-R69 PolarHBondContact O-N 2.7Å; E66-R69 IonicContact OE1-CZ 2.71Å; E66-R69 IonicContact OE1-NH1 3.73Å; E66-R69 PolarHBondContact OE1-NH1 3.33Å; E66-R69 IonicContact OE1-NH2 3.6Å; E66-R69 IonicContact OE2-CZ 3.91Å; E66-R69 IonicContact OE2-NH1 3.76Å; E66-R69 PolarHBondContact OE2-NH1 3.49Å; R69-I71 VanDerWaalsContact C-N 3.31Å; R69-I71 PolarHBondContact O-N 3.33Å; R69-V72 CarbonylContact O-C 3.58Å; R69-V72 PolarHBondContact O-N 3.05Å; R69-V72 VanDerWaalsContact O-N 3.1Å; R69-E73 WeakPolarHBondContact CD-OE1 2.94Å; R69-E73 HydrophobicContact CG-CG 4.3Å; R69-E73 VanDerWaalsContact CG-OE1 3.29Å; R69-E73 WeakPolarHBondContact CG-OE1 3.24Å; R69-E73 WeakPolarHBondContact O-CG 3.27Å; R69-E73 PolarHBondContact O-N 3.05Å; R69-P123 HydrophobicContact CB-CB 4.35Å; R69-P123 HydrophobicContact CB-CG 4.08Å; R69-P123 HydrophobicContact CG-CG 4.19Å |
| 70 | W | 84.9 | Confident | 79.2 | Confident | 142 Ų | 142 | 73.3 Ų | 73.3 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.9 | -177.2 | 86.8 | 0 | 0 | 0 | 111.8 | E66 V67 I68 V72 E73 H74 | E66-W70 WeakPolarHBondContact O-CB 3.19Å; E66-W70 PolarHBondContact O-N 3.4Å; V67-W70 PolarHBondContact O-N 3.29Å; I68-W70 VanDerWaalsContact C-N 3.33Å; I68-W70 PolarHBondContact O-N 3.34Å; W70-V72 PolarHBondContact O-N 3.11Å; W70-E73 PolarHBondContact O-N 3.31Å; W70-H74 AromaticContact CD1-CE1 3.47Å; W70-H74 VanDerWaalsContact CD1-CE1 3.47Å; W70-H74 AromaticContact CD1-ND1 3.51Å; W70-H74 AromaticContact CE2-CG 3.98Å; W70-H74 AromaticContact CE2-ND1 3.83Å; W70-H74 AromaticContact CG-ND1 3.82Å; W70-H74 HydrophobicContact CZ2-CB 4.42Å; W70-H74 AromaticContact NE1-CE1 3.45Å; W70-H74 PolarHBondContact NE1-CE1 3.24Å; W70-H74 AromaticContact NE1-CG 3.96Å; W70-H74 AromaticContact NE1-ND1 3.51Å; W70-H74 AromaticContact NE1-NE2 3.82Å; W70-H74 WeakPolarHBondContact O-CB 3.48Å; W70-H74 PolarHBondContact O-N 3.33Å; W70-H74 PolarHBondContact O-ND1 3.11Å |
| 71 | I | 82.4 | Confident | 79.6 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.6 | -68.1 | 166.9 | 0 | 0 | 0 | 110.7 | V67 I68 R69 E73 H74 Y75 | V67-I71 HydrophobicContact CG1-CD1 3.98Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 3.26Å; I68-I71 PolarHBondContact O-N 3.16Å; R69-I71 VanDerWaalsContact C-N 3.31Å; R69-I71 PolarHBondContact O-N 3.33Å; I71-E73 VanDerWaalsContact C-N 3.3Å; I71-E73 PolarHBondContact O-N 3.25Å; I71-H74 CarbonylContact O-C 3.54Å; I71-H74 PolarHBondContact O-N 2.84Å; I71-Y75 WeakPolarHBondContact O-CA 3.3Å; I71-Y75 WeakPolarHBondContact O-CB 3.49Å; I71-Y75 PolarHBondContact O-N 2.84Å |
| 72 | V | 80 | Confident | 79.7 | Confident | 11 Ų | 11 | 76.1 Ų | 76.1 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.5 | -29.2 | 179.7 | 171.7 | 0 | 0 | 0 | 0 | 112.6 | I68 R69 W70 Y75 F117 A121 P123 | I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.1Å; R69-V72 CarbonylContact O-C 3.58Å; R69-V72 PolarHBondContact O-N 3.05Å; R69-V72 VanDerWaalsContact O-N 3.1Å; W70-V72 PolarHBondContact O-N 3.11Å; V72-Y75 WeakPolarHBondContact O-CD1 3.19Å; V72-Y75 WeakPolarHBondContact O-CE1 3.38Å; V72-F117 HydrophobicContact CB-CE2 4.38Å; V72-F117 HydrophobicContact CG1-CB 4.43Å; V72-F117 HydrophobicContact CG1-CD1 4.17Å; V72-F117 HydrophobicContact CG1-CD2 3.69Å; V72-F117 HydrophobicContact CG1-CE1 4.37Å; V72-F117 HydrophobicContact CG1-CE2 3.92Å; V72-F117 HydrophobicContact CG1-CG 3.83Å; V72-F117 HydrophobicContact CG1-CZ 4.25Å; V72-F117 HydrophobicContact CG2-CD2 4.49Å; V72-F117 HydrophobicContact CG2-CE1 4.16Å; V72-F117 HydrophobicContact CG2-CE2 3.87Å; V72-F117 HydrophobicContact CG2-CZ 3.69Å; V72-A121 HydrophobicContact CG1-CB 3.92Å; V72-P123 HydrophobicContact CB-CB 4.12Å; V72-P123 HydrophobicContact CG1-CB 4.32Å; V72-P123 HydrophobicContact CG2-CB 4Å |
| 73 | E | 80.9 | Confident | 79.8 | Confident | 115 Ų | 115 | 78 Ų | 78 | 54% | 0.537 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.1 | -23.6 | 175.4 | -72.7 | 172.3 | 176.4 | 0 | 0 | 112.5 | R69 W70 I71 | R69-E73 WeakPolarHBondContact CD-OE1 2.94Å; R69-E73 HydrophobicContact CG-CG 4.3Å; R69-E73 VanDerWaalsContact CG-OE1 3.29Å; R69-E73 WeakPolarHBondContact CG-OE1 3.24Å; R69-E73 WeakPolarHBondContact O-CG 3.27Å; R69-E73 PolarHBondContact O-N 3.05Å; W70-E73 PolarHBondContact O-N 3.31Å; I71-E73 VanDerWaalsContact C-N 3.3Å; I71-E73 PolarHBondContact O-N 3.25Å |
| 74 | H | 77.3 | Confident | 79.7 | Confident | 81 Ų | 81 | 76 Ų | 76 | 38% | 0.375 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -120.1 | 2.7 | -171.1 | -59.8 | 80.4 | 0 | 0 | 0 | 114.8 | W70 I71 C76 G77 | W70-H74 AromaticContact CD1-CE1 3.47Å; W70-H74 VanDerWaalsContact CD1-CE1 3.47Å; W70-H74 AromaticContact CD1-ND1 3.51Å; W70-H74 AromaticContact CE2-CG 3.98Å; W70-H74 AromaticContact CE2-ND1 3.83Å; W70-H74 AromaticContact CG-ND1 3.82Å; W70-H74 HydrophobicContact CZ2-CB 4.42Å; W70-H74 AromaticContact NE1-CE1 3.45Å; W70-H74 PolarHBondContact NE1-CE1 3.24Å; W70-H74 AromaticContact NE1-CG 3.96Å; W70-H74 AromaticContact NE1-ND1 3.51Å; W70-H74 AromaticContact NE1-NE2 3.82Å; W70-H74 WeakPolarHBondContact O-CB 3.48Å; W70-H74 PolarHBondContact O-N 3.33Å; W70-H74 PolarHBondContact O-ND1 3.11Å; I71-H74 CarbonylContact O-C 3.54Å; I71-H74 PolarHBondContact O-N 2.84Å; H74-C76 PolarHBondContact O-N 3.02Å; H74-C76 VanDerWaalsContact O-N 3.13Å; H74-G77 PolarHBondContact O-N 3.09Å |
| 75 | Y | 73.4 | Confident | 79.5 | Confident | 56 Ų | 56 | 78.7 Ų | 78.7 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -61 | -26.1 | -176.6 | 76.4 | -84.7 | 0 | 0 | 0 | 113.4 | I71 V72 G77 T78 V82 F117 | I71-Y75 WeakPolarHBondContact O-CA 3.3Å; I71-Y75 WeakPolarHBondContact O-CB 3.49Å; I71-Y75 PolarHBondContact O-N 2.84Å; V72-Y75 WeakPolarHBondContact O-CD1 3.19Å; V72-Y75 WeakPolarHBondContact O-CE1 3.38Å; Y75-G77 PolarHBondContact O-N 2.91Å; Y75-T78 CarbonylContact O-C 3.57Å; Y75-T78 VanDerWaalsContact O-C 3.23Å; Y75-T78 PolarHBondContact O-N 2.84Å; Y75-V82 HydrophobicContact CD2-CG2 3.6Å; Y75-V82 HydrophobicContact CE2-CG2 4.4Å; Y75-V82 HydrophobicContact CG-CG2 4.25Å; Y75-F117 HydrophobicContact CE1-CD2 4.01Å; Y75-F117 HydrophobicContact CE1-CE2 4.49Å |
| 76 | C | 70 | Confident | 79.3 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 69% | 0.689 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -62.7 | -27.3 | 175.4 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | H74 | H74-C76 PolarHBondContact O-N 3.02Å; H74-C76 VanDerWaalsContact O-N 3.13Å |
| 77 | G | 68.4 | Low | 79.2 | Confident | 64 Ų | 64 | 79 Ų | 79 | 66% | 0.66 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -84.6 | -13.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H74 Y75 | H74-G77 PolarHBondContact O-N 3.09Å; Y75-G77 PolarHBondContact O-N 2.91Å |
| 78 | T | 68.4 | Low | 79.3 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | trans | -129.2 | 64.7 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | Y75 D80 F81 | Y75-T78 CarbonylContact O-C 3.57Å; Y75-T78 VanDerWaalsContact O-C 3.23Å; Y75-T78 PolarHBondContact O-N 2.84Å; T78-D80 PolarHBondContact O-N 3.14Å; T78-F81 PolarHBondContact O-N 2.82Å | ||
| 79 | P | 69.4 | Low | 79.4 | Confident | 66 Ų | 66 | 79.2 Ų | 79.2 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -24.3 | -169.7 | 26.2 | -35.8 | 0 | 0 | 0 | 113.2 | F81 V82 Q83 | P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 PolarHBondContact O-N 2.91Å; P79-V82 PolarHBondContact O-N 3.47Å; P79-V82 VanDerWaalsContact O-N 3.11Å; P79-Q83 VanDerWaalsContact O-CG 3.28Å; P79-Q83 WeakPolarHBondContact O-CG 3.28Å; P79-Q83 PolarHBondContact O-N 3.36Å |
| 80 | D | 78.8 | Confident | 79.7 | Confident | 123 Ų | 123 | 77.3 Ų | 77.3 | 66% | 0.658 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -53.7 | -40.8 | -176.2 | -68.4 | -25 | 0 | 0 | 0 | 113 | T78 Q83 Q84 | T78-D80 PolarHBondContact O-N 3.14Å; D80-Q83 PolarHBondContact O-N 2.91Å; D80-Q84 WeakPolarHBondContact O-CG 3.32Å; D80-Q84 PolarHBondContact O-N 3.44Å |
| 81 | F | 74.7 | Confident | 80 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | 178.7 | 174.7 | -101.2 | 0 | 0 | 0 | 111.6 | T78 P79 Q83 Q84 W85 | T78-F81 PolarHBondContact O-N 2.82Å; P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 PolarHBondContact O-N 2.91Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.19Å; F81-Q84 PolarHBondContact O-N 3.34Å; F81-W85 PolarHBondContact O-N 2.94Å; F81-W85 VanDerWaalsContact O-N 3.08Å |
| 82 | V | 77.3 | Confident | 80.2 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | Y75 P79 W85 L86 V115 | Y75-V82 HydrophobicContact CD2-CG2 3.6Å; Y75-V82 HydrophobicContact CE2-CG2 4.4Å; Y75-V82 HydrophobicContact CG-CG2 4.25Å; P79-V82 PolarHBondContact O-N 3.47Å; P79-V82 VanDerWaalsContact O-N 3.11Å; V82-W85 PolarHBondContact O-N 2.7Å; V82-L86 HydrophobicContact CG1-CD1 4.06Å; V82-L86 HydrophobicContact CG1-CG 4.38Å; V82-L86 WeakPolarHBondContact O-CB 3.41Å; V82-L86 WeakPolarHBondContact O-CG 3.35Å; V82-L86 PolarHBondContact O-N 2.89Å; V82-V115 HydrophobicContact CG1-CB 4.14Å; V82-V115 HydrophobicContact CG1-CG2 4.49Å |
| 83 | Q | 83.2 | Confident | 80.5 | Confident | 106 Ų | 106 | 74.6 Ų | 74.6 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.8 | -67.8 | -56.8 | -45 | 0 | 0 | 112.5 | P79 D80 F81 W85 L86 K87 | P79-Q83 VanDerWaalsContact O-CG 3.28Å; P79-Q83 WeakPolarHBondContact O-CG 3.28Å; P79-Q83 PolarHBondContact O-N 3.36Å; D80-Q83 PolarHBondContact O-N 2.91Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.19Å; Q83-W85 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 3.13Å; Q83-K87 WeakPolarHBondContact O-CB 3.5Å; Q83-K87 PolarHBondContact O-N 3.35Å |
| 84 | Q | 82.7 | Confident | 80.7 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 173.4 | -69.3 | -56.6 | -31.3 | 0 | 0 | 111.7 | D80 F81 K87 S88 | D80-Q84 WeakPolarHBondContact O-CG 3.32Å; D80-Q84 PolarHBondContact O-N 3.44Å; F81-Q84 PolarHBondContact O-N 3.34Å; Q84-K87 PolarHBondContact O-N 3.34Å; Q84-S88 PolarHBondContact O-N 2.81Å |
| 85 | W | 82.6 | Confident | 81.1 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 36% | 0.356 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 175.6 | -172.8 | 16.3 | 0 | 0 | 0 | 112 | F81 V82 Q83 K87 S88 M89 V115 L150 | F81-W85 PolarHBondContact O-N 2.94Å; F81-W85 VanDerWaalsContact O-N 3.08Å; V82-W85 PolarHBondContact O-N 2.7Å; Q83-W85 VanDerWaalsContact C-N 3.32Å; W85-K87 VanDerWaalsContact C-N 3.31Å; W85-K87 PolarHBondContact O-N 3.47Å; W85-S88 WeakPolarHBondContact O-CB 3.38Å; W85-S88 PolarHBondContact O-N 2.74Å; W85-S88 VanDerWaalsContact O-N 3.15Å; W85-M89 WeakPolarHBondContact O-CG 3.27Å; W85-M89 PolarHBondContact O-N 3.15Å; W85-V115 HydrophobicContact CE3-CG1 4.19Å; W85-V115 HydrophobicContact CH2-CG1 4.2Å; W85-V115 HydrophobicContact CZ3-CG1 3.69Å; W85-L150 HydrophobicContact CH2-CD1 4.47Å; W85-L150 HydrophobicContact CH2-CD2 3.48Å; W85-L150 VanDerWaalsContact CH2-CD2 3.48Å; W85-L150 HydrophobicContact CZ2-CD2 4.12Å; W85-L150 HydrophobicContact CZ3-CD2 4.34Å |
| 86 | L | 86.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.5 | -45 | 174.2 | -78.8 | 168.6 | 0 | 0 | 0 | 111.8 | V82 Q83 S88 M89 N90 F112 E113 V115 | V82-L86 HydrophobicContact CG1-CD1 4.06Å; V82-L86 HydrophobicContact CG1-CG 4.38Å; V82-L86 WeakPolarHBondContact O-CB 3.41Å; V82-L86 WeakPolarHBondContact O-CG 3.35Å; V82-L86 PolarHBondContact O-N 2.89Å; Q83-L86 PolarHBondContact O-N 3.13Å; L86-S88 PolarHBondContact O-N 2.97Å; L86-M89 HydrophobicContact CD2-CE 3.84Å; L86-M89 HydrophobicContact CG-CE 4.46Å; L86-M89 PolarHBondContact O-N 3.36Å; L86-N90 WeakPolarHBondContact O-CB 3.47Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-N90 PolarHBondContact O-ND2 3.28Å; L86-N90 VanDerWaalsContact O-ND2 3.1Å; L86-F112 HydrophobicContact CD2-CB 3.77Å; L86-E113 WeakPolarHBondContact CD1-O 3.44Å; L86-V115 HydrophobicContact CD2-CG2 3.62Å; L86-V115 HydrophobicContact CG-CG2 4.03Å |
| 87 | K | 86.8 | Confident | 81.9 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176 | -176.5 | -176.5 | 173.3 | -169.9 | 0 | 111.7 | Q83 Q84 W85 N90 E91 | Q83-K87 WeakPolarHBondContact O-CB 3.5Å; Q83-K87 PolarHBondContact O-N 3.35Å; Q84-K87 PolarHBondContact O-N 3.34Å; W85-K87 VanDerWaalsContact C-N 3.31Å; W85-K87 PolarHBondContact O-N 3.47Å; K87-N90 PolarHBondContact O-N 3.38Å; K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 WeakPolarHBondContact O-CG 3.41Å; K87-E91 PolarHBondContact O-N 3.07Å |
| 88 | S | 86.5 | Confident | 82.4 | Confident | 73 Ų | 73 | 79 Ų | 79 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | Q84 W85 L86 N90 E91 A92 | Q84-S88 PolarHBondContact O-N 2.81Å; W85-S88 WeakPolarHBondContact O-CB 3.38Å; W85-S88 PolarHBondContact O-N 2.74Å; W85-S88 VanDerWaalsContact O-N 3.15Å; L86-S88 PolarHBondContact O-N 2.97Å; S88-N90 VanDerWaalsContact C-N 3.34Å; S88-N90 PolarHBondContact O-N 2.95Å; S88-E91 PolarHBondContact O-N 3.15Å; S88-A92 WeakPolarHBondContact O-CB 3.23Å; S88-A92 PolarHBondContact O-N 2.74Å |
| 89 | M | 87.4 | Confident | 82.8 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.5 | -69.5 | -167.6 | -61.6 | 0 | 0 | 112.1 | W85 L86 A92 A93 F112 V115 L152 | W85-M89 WeakPolarHBondContact O-CG 3.27Å; W85-M89 PolarHBondContact O-N 3.15Å; L86-M89 HydrophobicContact CD2-CE 3.84Å; L86-M89 HydrophobicContact CG-CE 4.46Å; L86-M89 PolarHBondContact O-N 3.36Å; M89-A92 PolarHBondContact O-N 3.3Å; M89-A93 WeakPolarHBondContact O-CB 3.11Å; M89-A93 PolarHBondContact O-N 2.97Å; M89-F112 HydrophobicContact CB-CD2 3.76Å; M89-F112 HydrophobicContact CB-CE2 4.1Å; M89-F112 HydrophobicContact CB-CG 4.24Å; M89-F112 HydrophobicContact CE-CB 4.25Å; M89-F112 HydrophobicContact CE-CD1 4.43Å; M89-F112 HydrophobicContact CE-CG 4.28Å; M89-V115 HydrophobicContact CE-CG2 3.68Å; M89-L152 HydrophobicContact CE-CD2 4.22Å; M89-L152 HydrophobicContact SD-CD1 4.37Å |
| 90 | N | 92.2 | Very high | 82.7 | Confident | 38 Ų | 38 | 84.1 Ų | 84.1 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.9 | -79 | -37.1 | 0 | 0 | 0 | 112.8 | L86 K87 S88 A92 A93 K94 V111 F112 | L86-N90 WeakPolarHBondContact O-CB 3.47Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-N90 PolarHBondContact O-ND2 3.28Å; L86-N90 VanDerWaalsContact O-ND2 3.1Å; K87-N90 PolarHBondContact O-N 3.38Å; S88-N90 VanDerWaalsContact C-N 3.34Å; S88-N90 PolarHBondContact O-N 2.95Å; N90-A92 VanDerWaalsContact C-N 3.33Å; N90-A92 PolarHBondContact O-N 2.82Å; N90-A93 PolarHBondContact O-N 3.34Å; N90-K94 WeakPolarHBondContact O-CB 3.35Å; N90-K94 PolarHBondContact O-N 3.19Å; N90-V111 WeakPolarHBondContact OD1-CA 3.29Å; N90-F112 PolarHBondContact ND2-O 3.09Å; N90-F112 PolarHBondContact OD1-N 3.39Å |
| 91 | E | 90.3 | Very high | 81.6 | Confident | 99 Ų | 99 | 80.6 Ų | 80.6 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 173.3 | -73.2 | 179.7 | -165.1 | 0 | 0 | 111.9 | K87 S88 K95 | K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 WeakPolarHBondContact O-CG 3.41Å; K87-E91 PolarHBondContact O-N 3.07Å; S88-E91 PolarHBondContact O-N 3.15Å; E91-K95 WeakPolarHBondContact O-CG 3.39Å; E91-K95 PolarHBondContact O-N 2.92Å |
| 92 | A | 86.6 | Confident | 80.8 | Confident | 50 Ų | 50 | 80.3 Ų | 80.3 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S88 M89 N90 K94 K95 Q96 | S88-A92 WeakPolarHBondContact O-CB 3.23Å; S88-A92 PolarHBondContact O-N 2.74Å; M89-A92 PolarHBondContact O-N 3.3Å; N90-A92 VanDerWaalsContact C-N 3.33Å; N90-A92 PolarHBondContact O-N 2.82Å; A92-K94 PolarHBondContact O-N 3.24Å; A92-K95 PolarHBondContact O-N 3.48Å; A92-Q96 WeakPolarHBondContact O-CG 3.14Å; A92-Q96 PolarHBondContact O-N 2.88Å |
| 93 | A | 87.1 | Confident | 79.7 | Confident | 14 Ų | 14 | 84.3 Ų | 84.3 | 12% | 0.116 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M89 N90 K95 Q96 V97 F112 | M89-A93 WeakPolarHBondContact O-CB 3.11Å; M89-A93 PolarHBondContact O-N 2.97Å; N90-A93 PolarHBondContact O-N 3.34Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 2.85Å; A93-Q96 PolarHBondContact O-N 2.8Å; A93-Q96 VanDerWaalsContact O-N 3.08Å; A93-V97 WeakPolarHBondContact O-CG2 3.4Å; A93-V97 PolarHBondContact O-N 2.82Å; A93-F112 HydrophobicContact CB-CD2 4.45Å; A93-F112 HydrophobicContact CB-CE2 3.97Å |
| 94 | K | 86.2 | Confident | 78.2 | Confident | 135 Ų | 135 | 89.1 Ų | 89.1 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -54.5 | -49.3 | 176.5 | -173.2 | -178.3 | 178.3 | -174.5 | 0 | 111.6 | N90 A92 Q96 V97 E98 | N90-K94 WeakPolarHBondContact O-CB 3.35Å; N90-K94 PolarHBondContact O-N 3.19Å; A92-K94 PolarHBondContact O-N 3.24Å; K94-Q96 VanDerWaalsContact C-N 3.31Å; K94-Q96 PolarHBondContact O-N 2.88Å; K94-V97 PolarHBondContact O-N 3.28Å; K94-E98 WeakPolarHBondContact CE-OE1 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.45Å; K94-E98 PolarHBondContact O-N 3.26Å |
| 95 | K | 85.7 | Confident | 76.8 | Confident | 126 Ų | 126 | 86.5 Ų | 86.5 | 55% | 0.548 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 177.5 | -70.6 | 174.8 | -175.3 | 173.3 | 0 | 112.9 | E91 A92 A93 K99 | E91-K95 WeakPolarHBondContact O-CG 3.39Å; E91-K95 PolarHBondContact O-N 2.92Å; A92-K95 PolarHBondContact O-N 3.48Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 2.85Å; K95-K99 VanDerWaalsContact O-CG 3.31Å; K95-K99 WeakPolarHBondContact O-CG 3.18Å; K95-K99 PolarHBondContact O-N 3.33Å |
| 96 | Q | 81.7 | Confident | 75.6 | Confident | 111 Ų | 111 | 84 Ų | 84 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 177 | -65.8 | -60.5 | -22.7 | 0 | 0 | 111.8 | A92 A93 K94 E98 K99 V100 | A92-Q96 WeakPolarHBondContact O-CG 3.14Å; A92-Q96 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 2.8Å; A93-Q96 VanDerWaalsContact O-N 3.08Å; K94-Q96 VanDerWaalsContact C-N 3.31Å; K94-Q96 PolarHBondContact O-N 2.88Å; Q96-E98 VanDerWaalsContact C-N 3.35Å; Q96-K99 WeakPolarHBondContact O-CB 3.45Å; Q96-K99 PolarHBondContact O-N 3.47Å; Q96-V100 WeakPolarHBondContact O-CG2 3.49Å; Q96-V100 PolarHBondContact O-N 3.47Å; Q96-V100 VanDerWaalsContact O-N 3.17Å |
| 97 | V | 77.6 | Confident | 74.9 | Confident | 28 Ų | 28 | 90.7 Ų | 90.7 | 17% | 0.17 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | A93 K94 K99 V100 S101 K108 V110 | A93-V97 WeakPolarHBondContact O-CG2 3.4Å; A93-V97 PolarHBondContact O-N 2.82Å; K94-V97 PolarHBondContact O-N 3.28Å; V97-K99 VanDerWaalsContact C-N 3.31Å; V97-K99 PolarHBondContact O-N 3.2Å; V97-V100 PolarHBondContact O-N 3.25Å; V97-S101 VanDerWaalsContact O-CB 3.31Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 3.37Å; V97-S101 PolarHBondContact O-OG 3.23Å; V97-K108 HydrophobicContact CG1-CB 3.97Å; V97-K108 WeakPolarHBondContact CG1-O 3.49Å; V97-V110 HydrophobicContact CG2-CG2 4.42Å |
| 98 | E | 78.9 | Confident | 74.4 | Confident | 110 Ų | 110 | 90.4 Ų | 90.4 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 173.9 | -73.8 | 169.4 | 178.1 | 0 | 0 | 112.3 | K94 Q96 S101 | K94-E98 WeakPolarHBondContact CE-OE1 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.45Å; K94-E98 PolarHBondContact O-N 3.26Å; Q96-E98 VanDerWaalsContact C-N 3.35Å; E98-S101 PolarHBondContact O-N 2.53Å |
| 99 | K | 76 | Confident | 74.1 | Confident | 139 Ų | 139 | 88.9 Ų | 88.9 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 176.6 | -74 | 173.2 | -176.1 | -178.3 | 0 | 113.6 | K95 Q96 V97 T102 | K95-K99 VanDerWaalsContact O-CG 3.31Å; K95-K99 WeakPolarHBondContact O-CG 3.18Å; K95-K99 PolarHBondContact O-N 3.33Å; Q96-K99 WeakPolarHBondContact O-CB 3.45Å; Q96-K99 PolarHBondContact O-N 3.47Å; V97-K99 VanDerWaalsContact C-N 3.31Å; V97-K99 PolarHBondContact O-N 3.2Å; K99-T102 WeakPolarHBondContact O-CG2 3.36Å |
| 100 | V | 67.9 | Low | 74 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 65% | 0.648 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -78.2 | -28.6 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | Q96 V97 T102 | Q96-V100 WeakPolarHBondContact O-CG2 3.49Å; Q96-V100 PolarHBondContact O-N 3.47Å; Q96-V100 VanDerWaalsContact O-N 3.17Å; V97-V100 PolarHBondContact O-N 3.25Å; V100-T102 PolarHBondContact O-N 3.38Å |
| 101 | S | 56.8 | Low | 73.7 | Confident | 48 Ų | 48 | 91.1 Ų | 91.1 | 34% | 0.336 | 48% | 0.484 | S | S | . | . | trans | -79.9 | 52.7 | 179.2 | -52 | 0 | 0 | 0 | 0 | 112 | V97 E98 | V97-S101 VanDerWaalsContact O-CB 3.31Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 3.37Å; V97-S101 PolarHBondContact O-OG 3.23Å; E98-S101 PolarHBondContact O-N 2.53Å | ||
| 102 | T | 56.1 | Low | 73.5 | Confident | 121 Ų | 121 | 88.3 Ų | 88.3 | 74% | 0.742 | 47% | 0.47 | S | S | * | . | trans | -91.9 | 2 | 173.1 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | K99 V100 | K99-T102 WeakPolarHBondContact O-CG2 3.36Å; V100-T102 PolarHBondContact O-N 3.38Å | ||
| 103 | T | 54.2 | Low | 73.3 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -126 | 160 | 175.9 | 33.4 | 0 | 0 | 0 | 0 | 109.3 | C105 | T103-C105 PolarHBondContact O-N 3.46Š|
| 104 | H | 53.1 | Low | 73.2 | Confident | 208 Ų | 208 | 94.7 Ų | 94.7 | 96% | 0.963 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -51.8 | 19.8 | 178.6 | -117.5 | -81.3 | 0 | 0 | 0 | 116.5 | S106 | H104-S106 PolarHBondContact O-N 3.24Š|
| 105 | C | 53.9 | Low | 73.2 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | trans | -62.2 | 123.7 | 167.6 | -83.4 | 0 | 0 | 0 | 0 | 110 | T103 | T103-C105 PolarHBondContact O-N 3.46Š| ||
| 106 | S | 57 | Low | 73.1 | Confident | 43 Ų | 43 | 84.8 Ų | 84.8 | 30% | 0.301 | 45% | 0.446 | S | S | . | . | trans | -17.2 | 128.9 | 150.4 | 34.2 | 0 | 0 | 0 | 0 | 113.8 | H104 K108 I159 | H104-S106 PolarHBondContact O-N 3.24Å; S106-K108 PolarHBondContact O-N 3.19Å; S106-K108 VanDerWaalsContact O-N 3.15Å; S106-I159 WeakPolarHBondContact CB-O 3.22Å | ||
| 107 | E | 70.1 | Confident | 73 | Confident | 146 Ų | 146 | 81.4 Ų | 81.4 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | trans | -51.9 | 118.6 | 178.2 | -69.2 | -178.3 | -178.4 | 0 | 0 | 110.4 | K158 I159 | E107-K158 WeakPolarHBondContact O-CA 3.1Å; E107-I159 HydrophobicContact CB-CD1 4.23Å; E107-I159 HydrophobicContact CB-CG1 4.49Å; E107-I159 PolarHBondContact O-N 3.05Å | ||
| 108 | K | 77.5 | Confident | 72.8 | Confident | 107 Ų | 107 | 82.2 Ų | 82.2 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 149.4 | 173.4 | -64.1 | 178.6 | -174.5 | 173.4 | 0 | 108.4 | V97 S106 S157 K158 | V97-K108 HydrophobicContact CG1-CB 3.97Å; V97-K108 WeakPolarHBondContact CG1-O 3.49Å; S106-K108 PolarHBondContact O-N 3.19Å; S106-K108 VanDerWaalsContact O-N 3.15Å; K108-S157 CarbonylContact C-O 3.47Å; K108-S157 WeakPolarHBondContact CA-O 3.4Å; K108-K158 HydrophobicContact CG-CB 4.49Å |
| 109 | A | 80.9 | Confident | 72.2 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 150.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | A156 S157 | A109-A156 WeakPolarHBondContact O-CA 3.45Å; A109-S157 PolarHBondContact N-O 2.91Å; A109-S157 PolarHBondContact O-N 3.03Å |
| 110 | V | 84.8 | Confident | 71.8 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 29% | 0.291 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129 | 173.2 | 177 | 0 | 0 | 0 | 0 | 107.2 | V97 L154 T155 A156 | V97-V110 HydrophobicContact CG2-CG2 4.42Å; V110-L154 HydrophobicContact CG1-CD1 3.93Å; V110-T155 WeakPolarHBondContact CA-O 3.4Å; V110-A156 HydrophobicContact CG2-CB 4.29Å |
| 111 | V | 84.9 | Confident | 72 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.5 | -179.5 | -177.9 | 0 | 0 | 0 | 0 | 109 | N90 L154 T155 | N90-V111 WeakPolarHBondContact OD1-CA 3.29Å; V111-L154 CarbonylContact O-C 3.41Å; V111-L154 WeakPolarHBondContact O-CA 3.25Å; V111-T155 PolarHBondContact N-O 3.05Å; V111-T155 PolarHBondContact O-N 3.48Å |
| 112 | F | 87.5 | Confident | 73 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126 | 166.8 | -63.6 | -84.7 | 0 | 0 | 0 | 109.5 | L86 M89 N90 A93 L152 L154 | L86-F112 HydrophobicContact CD2-CB 3.77Å; M89-F112 HydrophobicContact CB-CD2 3.76Å; M89-F112 HydrophobicContact CB-CE2 4.1Å; M89-F112 HydrophobicContact CB-CG 4.24Å; M89-F112 HydrophobicContact CE-CB 4.25Å; M89-F112 HydrophobicContact CE-CD1 4.43Å; M89-F112 HydrophobicContact CE-CG 4.28Å; N90-F112 PolarHBondContact ND2-O 3.09Å; N90-F112 PolarHBondContact OD1-N 3.39Å; A93-F112 HydrophobicContact CB-CD2 4.45Å; A93-F112 HydrophobicContact CB-CE2 3.97Å; F112-L152 HydrophobicContact CD1-CB 4.23Å; F112-L152 HydrophobicContact CD1-CD1 4.27Å; F112-L152 HydrophobicContact CE1-CB 4.4Å; F112-L152 HydrophobicContact CE1-CD1 3.91Å; F112-L154 HydrophobicContact CD1-CB 3.86Å; F112-L154 HydrophobicContact CD1-CD2 4.17Å; F112-L154 HydrophobicContact CE1-CB 4.2Å; F112-L154 HydrophobicContact CE1-CD2 3.73Å; F112-L154 HydrophobicContact CG-CB 4.4Å |
| 113 | E | 82.5 | Confident | 74.5 | Confident | 110 Ų | 110 | 72.1 Ų | 72.1 | 51% | 0.514 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -39.6 | -174.7 | -61.3 | -172.9 | 164.5 | 0 | 0 | 112 | L86 R153 T155 | L86-E113 WeakPolarHBondContact CD1-O 3.44Å; E113-R153 PolarHBondContact N-O 3.07Å; E113-T155 WeakPolarHBondContact OE1-CB 3.34Å; E113-T155 PolarHBondContact OE1-OG1 3.12Å |
| 114 | E | 84.6 | Confident | 76.2 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 148.7 | -171.3 | -160.8 | 177.3 | -163.9 | 0 | 0 | 111.2 | Y116 L152 R153 | E114-Y116 HydrophobicContact CG-CD1 4.06Å; E114-L152 WeakPolarHBondContact O-CA 3.46Å; E114-R153 HydrophobicContact CB-CB 4.06Å; E114-R153 PolarHBondContact N-O 3.09Å; E114-R153 PolarHBondContact O-N 3.18Å; E114-R153 VanDerWaalsContact OE2-CD 3.31Å; E114-R153 WeakPolarHBondContact OE2-CD 3.47Å; E114-R153 IonicContact OE2-NH1 2.67Å |
| 115 | V | 84.7 | Confident | 78 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.9 | 171.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | V82 W85 L86 M89 L150 I151 L152 | V82-V115 HydrophobicContact CG1-CB 4.14Å; V82-V115 HydrophobicContact CG1-CG2 4.49Å; W85-V115 HydrophobicContact CE3-CG1 4.19Å; W85-V115 HydrophobicContact CH2-CG1 4.2Å; W85-V115 HydrophobicContact CZ3-CG1 3.69Å; L86-V115 HydrophobicContact CD2-CG2 3.62Å; L86-V115 HydrophobicContact CG-CG2 4.03Å; M89-V115 HydrophobicContact CE-CG2 3.68Å; V115-L150 HydrophobicContact CG1-CD1 3.64Å; V115-L150 HydrophobicContact CG1-CD2 4.19Å; V115-L150 HydrophobicContact CG1-CG 4.08Å; V115-I151 WeakPolarHBondContact CA-O 3.05Å; V115-L152 HydrophobicContact CB-CD2 4.05Å; V115-L152 HydrophobicContact CG1-CD2 3.71Å; V115-L152 HydrophobicContact CG2-CD2 3.52Å |
| 116 | Y | 83.4 | Confident | 79.8 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157 | 173.8 | 56.1 | -87.3 | 0 | 0 | 0 | 111.9 | E114 I151 R153 E170 | E114-Y116 HydrophobicContact CG-CD1 4.06Å; Y116-I151 HydrophobicContact CD2-CB 4Å; Y116-I151 HydrophobicContact CD2-CD1 4.28Å; Y116-I151 HydrophobicContact CE1-CB 4.32Å; Y116-I151 HydrophobicContact CE1-CG2 3.94Å; Y116-I151 HydrophobicContact CE2-CB 3.63Å; Y116-I151 HydrophobicContact CE2-CD1 3.59Å; Y116-I151 HydrophobicContact CE2-CG1 4.13Å; Y116-I151 HydrophobicContact CE2-CG2 3.75Å; Y116-I151 HydrophobicContact CG-CB 4.5Å; Y116-I151 VanDerWaalsContact CZ-CG2 3.41Å; Y116-I151 PolarHBondContact N-O 2.79Å; Y116-I151 PolarHBondContact O-N 3.07Å; Y116-I151 WeakPolarHBondContact OH-CG2 3.17Å; Y116-R153 HydrophobicContact CE1-CG 3.89Å; Y116-E170 PolarHBondContact OH-OE1 3.08Å; Y116-E170 PolarHBondContact OH-OE2 2.94Å |
| 117 | F | 80.8 | Confident | 81.5 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 147 | 173.3 | -62 | -90.5 | 0 | 0 | 0 | 109.4 | V72 Y75 A121 L150 | V72-F117 HydrophobicContact CB-CE2 4.38Å; V72-F117 HydrophobicContact CG1-CB 4.43Å; V72-F117 HydrophobicContact CG1-CD1 4.17Å; V72-F117 HydrophobicContact CG1-CD2 3.69Å; V72-F117 HydrophobicContact CG1-CE1 4.37Å; V72-F117 HydrophobicContact CG1-CE2 3.92Å; V72-F117 HydrophobicContact CG1-CG 3.83Å; V72-F117 HydrophobicContact CG1-CZ 4.25Å; V72-F117 HydrophobicContact CG2-CD2 4.49Å; V72-F117 HydrophobicContact CG2-CE1 4.16Å; V72-F117 HydrophobicContact CG2-CE2 3.87Å; V72-F117 HydrophobicContact CG2-CZ 3.69Å; Y75-F117 HydrophobicContact CE1-CD2 4.01Å; Y75-F117 HydrophobicContact CE1-CE2 4.49Å; F117-A121 HydrophobicContact CB-CB 4.14Å; F117-L150 HydrophobicContact CD1-CD1 3.8Å; F117-L150 HydrophobicContact CD2-CD1 4.4Å; F117-L150 HydrophobicContact CE1-CD1 3.59Å; F117-L150 HydrophobicContact CE2-CD1 4.2Å; F117-L150 HydrophobicContact CG-CD1 4.21Å; F117-L150 HydrophobicContact CZ-CD1 3.8Å |
| 118 | T | 73.6 | Confident | 82.4 | Confident | 46 Ų | 46 | 57 Ų | 57 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -63 | 156.9 | 171.4 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | P120 A121 S149 I151 | T118-P120 CarbonylContact O-C 3.6Å; T118-A121 WeakPolarHBondContact O-CA 3.36Å; T118-A121 PolarHBondContact O-N 2.87Å; T118-S149 WeakPolarHBondContact CG2-OG 3.28Å; T118-I151 HydrophobicContact CG2-CD1 3.55Å; T118-I151 HydrophobicContact CG2-CG1 4.12Å |
| 119 | A | 65.9 | Low | 83.1 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 85% | 0.851 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -100.3 | 126.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 120 | P | 67.9 | Low | 83.4 | Confident | 122 Ų | 122 | 58 Ų | 58 | 79% | 0.792 | 33% | 0.332 | S | S | * | . | S | Bend | cis | -69.9 | 144.5 | -1.3 | 30.5 | -34.5 | 0 | 0 | 0 | 112.3 | T118 S122 | T118-P120 CarbonylContact O-C 3.6Å; P120-S122 PolarHBondContact O-N 3.03Å |
| 121 | A | 71.5 | Confident | 83.6 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 125.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V72 F117 T118 P123 | V72-A121 HydrophobicContact CG1-CB 3.92Å; F117-A121 HydrophobicContact CB-CB 4.14Å; T118-A121 WeakPolarHBondContact O-CA 3.36Å; T118-A121 PolarHBondContact O-N 2.87Å; A121-P123 WeakPolarHBondContact O-CD 3.13Å |
| 122 | S | 78.9 | Confident | 83.7 | Confident | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | trans | -98.6 | 88 | 170.9 | 62.4 | 0 | 0 | 0 | 0 | 108.5 | P120 E148 S149 | P120-S122 PolarHBondContact O-N 3.03Å; S122-E148 WeakPolarHBondContact OG-CB 3.49Å; S122-S149 PolarHBondContact OG-N 2.83Å | ||
| 123 | P | 86.5 | Confident | 83.5 | Confident | 24 Ų | 24 | 64 Ų | 64 | 16% | 0.156 | 38% | 0.375 | C | S | . | . | trans | -61.8 | 148.5 | -179.5 | 27.2 | -35.6 | 0 | 0 | 0 | 110.5 | I68 R69 V72 A121 V125 | I68-P123 HydrophobicContact CG2-CB 4.29Å; R69-P123 HydrophobicContact CB-CB 4.35Å; R69-P123 HydrophobicContact CB-CG 4.08Å; R69-P123 HydrophobicContact CG-CG 4.19Å; V72-P123 HydrophobicContact CB-CB 4.12Å; V72-P123 HydrophobicContact CG1-CB 4.32Å; V72-P123 HydrophobicContact CG2-CB 4Å; A121-P123 WeakPolarHBondContact O-CD 3.13Å; P123-V125 PolarHBondContact O-N 3.48Å | ||
| 124 | P | 89.5 | Confident | 83.1 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | trans | -57.5 | 133.6 | 172.3 | -22.7 | 32.4 | 0 | 0 | 0 | 111.6 | I68 V145 A146 F147 | I68-P124 HydrophobicContact CG2-CB 4.29Å; I68-P124 HydrophobicContact CG2-CG 4.4Å; I68-P124 VanDerWaalsContact CG2-O 3.26Å; I68-P124 WeakPolarHBondContact CG2-O 3.35Å; P124-V145 HydrophobicContact CB-CG2 4.11Å; P124-A146 CarbonylContact C-O 3.56Å; P124-A146 WeakPolarHBondContact CA-O 3.42Å; P124-F147 HydrophobicContact CB-CB 4.1Å; P124-F147 HydrophobicContact CG-CB 4.08Å | ||
| 125 | V | 92 | Very high | 82.5 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.1 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | P123 V145 A146 | P123-V125 PolarHBondContact O-N 3.48Å; V125-V145 WeakPolarHBondContact O-CA 3.11Å; V125-A146 PolarHBondContact N-O 3.05Å; V125-A146 PolarHBondContact O-N 2.88Å |
| 126 | L | 91.8 | Very high | 81.8 | Confident | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.4 | 169.7 | -63.7 | -179.9 | 0 | 0 | 0 | 110.8 | I64 N65 I68 I129 A143 Q144 V145 | I64-L126 HydrophobicContact CD1-CD1 3.79Å; I64-L126 HydrophobicContact CG1-CD1 4.16Å; N65-L126 PolarHBondContact ND2-O 3.49Å; N65-L126 PolarHBondContact OD1-N 3.42Å; N65-L126 PolarHBondContact OD1-O 3.3Å; I68-L126 HydrophobicContact CD1-CD1 3.66Å; I68-L126 HydrophobicContact CD1-CG 3.73Å; L126-I129 HydrophobicContact CB-CD1 4.19Å; L126-A143 HydrophobicContact CD2-CB 4.25Å; L126-Q144 CarbonylContact C-O 3.58Å; L126-Q144 VanDerWaalsContact CA-O 3.3Å; L126-Q144 WeakPolarHBondContact CA-O 3.28Å; L126-V145 HydrophobicContact CD2-CB 3.7Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å |
| 127 | S | 91.9 | Very high | 81.3 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 33% | 0.329 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 167 | 175.2 | 69 | 0 | 0 | 0 | 0 | 111 | I129 Q144 | S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 3.32Å; S127-Q144 PolarHBondContact N-O 2.99Å; S127-Q144 PolarHBondContact O-N 3.49Å; S127-Q144 WeakPolarHBondContact OG-CB 3.36Å |
| 128 | N | 90.4 | Very high | 81.3 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 43.5 | 175.5 | -161.6 | 10.6 | 0 | 0 | 0 | 113.7 | R130 Q144 | N128-R130 PolarHBondContact ND2-NH1 2.94Å; N128-R130 PolarHBondContact O-N 2.96Å; N128-R130 PolarHBondContact OD1-NH1 3.27Å; N128-Q144 HydrophobicContact CB-CG 4.31Å; N128-Q144 PolarHBondContact ND2-NE2 3.24Å |
| 129 | I | 90.3 | Very high | 82 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 31% | 0.313 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 120.1 | -178.1 | -55 | -179.8 | 0 | 0 | 0 | 109 | T61 I64 L126 S127 V141 R142 A143 | T61-I129 HydrophobicContact CG2-CD1 3.97Å; T61-I129 HydrophobicContact CG2-CG1 4.04Å; I64-I129 HydrophobicContact CD1-CD1 4.31Å; I64-I129 HydrophobicContact CG2-CD1 3.72Å; L126-I129 HydrophobicContact CB-CD1 4.19Å; S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 3.32Å; I129-V141 HydrophobicContact CG2-CG1 3.89Å; I129-R142 CarbonylContact C-O 3.43Å; I129-R142 WeakPolarHBondContact CA-O 3.34Å; I129-A143 HydrophobicContact CG1-CB 3.95Å |
| 130 | R | 87.6 | Confident | 83 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 41% | 0.408 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.9 | -179.8 | -66.1 | -177.4 | -71.3 | -134 | 7.2 | 109.6 | N128 V141 R142 | N128-R130 PolarHBondContact ND2-NH1 2.94Å; N128-R130 PolarHBondContact O-N 2.96Å; N128-R130 PolarHBondContact OD1-NH1 3.27Å; R130-V141 CarbonylContact O-C 3.57Å; R130-V141 WeakPolarHBondContact O-CA 3.41Å; R130-R142 PolarHBondContact N-O 3.27Å; R130-R142 PolarHBondContact O-N 2.79Å |
| 131 | A | 89.3 | Confident | 84.1 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L139 T140 V141 | A131-L139 HydrophobicContact CB-CD1 4.15Å; A131-T140 WeakPolarHBondContact CA-O 3.31Å; A131-V141 HydrophobicContact CB-CG2 4.38Å |
| 132 | E | 86.8 | Confident | 85 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 43% | 0.425 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.6 | -177.5 | -67.8 | 173.7 | -178.7 | 0 | 0 | 109.8 | G134 T140 R142 | E132-G134 PolarHBondContact O-N 2.99Å; E132-T140 PolarHBondContact N-O 3.47Å; E132-T140 PolarHBondContact O-N 3.33Å; E132-R142 IonicContact OE2-NE 3.23Å |
| 133 | P | 84.4 | Confident | 85.6 | Confident | 122 Ų | 122 | 72 Ų | 72 | 79% | 0.792 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 120.9 | 174 | 28 | -31.9 | 0 | 0 | 0 | 109.6 | ||
| 134 | G | 73.3 | Confident | 85.9 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 171.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E132 H138 | E132-G134 PolarHBondContact O-N 2.99Å; G134-H138 WeakPolarHBondContact CA-O 3.48Å; G134-H138 PolarHBondContact N-O 3.39Å |
| 135 | P | 71.5 | Confident | 86.1 | Confident | 108 Ų | 108 | 74.2 Ų | 74.2 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -61.6 | 155.2 | 172.9 | 26.6 | -33.4 | 0 | 0 | 0 | 111.4 | Q137 H138 | P135-Q137 PolarHBondContact O-N 3.27Å; P135-H138 WeakPolarHBondContact O-CB 3.03Å; P135-H138 PolarHBondContact O-N 3.4Å |
| 136 | R | 70.1 | Confident | 86 | Confident | 223 Ų | 223 | 73.1 Ų | 73.1 | 84% | 0.842 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | 60 | 39.9 | 174.7 | -55.1 | -178.3 | 178.7 | -175.7 | -0.8 | 115.5 | H138 | R136-H138 PolarHBondContact O-CD2 2.92Å; R136-H138 PolarHBondContact O-N 3.47Å |
| 137 | Q | 72.7 | Confident | 85.8 | Confident | 180 Ų | 180 | 73 Ų | 73 | 84% | 0.841 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | 61.7 | 21 | -178.1 | -52.6 | 177.1 | -26.6 | 0 | 0 | 113.5 | P135 | P135-Q137 PolarHBondContact O-N 3.27Š|
| 138 | H | 81.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 77 Ų | 77 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | trans | -80.3 | 143.8 | 171.1 | -65.2 | -167.7 | 0 | 0 | 0 | 109.3 | G134 P135 R136 L184 | G134-H138 WeakPolarHBondContact CA-O 3.48Å; G134-H138 PolarHBondContact N-O 3.39Å; P135-H138 WeakPolarHBondContact O-CB 3.03Å; P135-H138 PolarHBondContact O-N 3.4Å; R136-H138 PolarHBondContact O-CD2 2.92Å; R136-H138 PolarHBondContact O-N 3.47Å; H138-L184 CarbonylContact C-O 3.47Å; H138-L184 VanDerWaalsContact CA-O 3.31Å; H138-L184 WeakPolarHBondContact CA-O 3.48Å | ||
| 139 | L | 87.5 | Confident | 85.4 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.7 | 170.6 | -177.6 | 66.2 | 0 | 0 | 0 | 108.3 | A131 V141 L184 | A131-L139 HydrophobicContact CB-CD1 4.15Å; L139-V141 HydrophobicContact CD2-CG2 4.37Å; L139-V141 HydrophobicContact CG-CG2 4.34Å; L139-L184 HydrophobicContact CB-CB 4.27Å; L139-L184 HydrophobicContact CD2-CD1 4.19Å; L139-L184 PolarHBondContact N-O 3.27Å; L139-L184 PolarHBondContact O-N 3.41Å |
| 140 | T | 88.1 | Confident | 85.2 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.8 | 173.8 | -55.6 | 0 | 0 | 0 | 0 | 108.7 | A131 E132 R142 Q181 V182 R183 | A131-T140 WeakPolarHBondContact CA-O 3.31Å; E132-T140 PolarHBondContact N-O 3.47Å; E132-T140 PolarHBondContact O-N 3.33Å; T140-R142 HydrophobicContact CG2-CG 4.43Å; T140-Q181 HydrophobicContact CG2-CB 4.41Å; T140-V182 WeakPolarHBondContact CA-O 3.34Å; T140-R183 HydrophobicContact CG2-CG 4.27Å |
| 141 | V | 89.5 | Confident | 85.2 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 22% | 0.218 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.2 | 174.1 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | I129 R130 A131 L139 Q181 V182 L184 | I129-V141 HydrophobicContact CG2-CG1 3.89Å; R130-V141 CarbonylContact O-C 3.57Å; R130-V141 WeakPolarHBondContact O-CA 3.41Å; A131-V141 HydrophobicContact CB-CG2 4.38Å; L139-V141 HydrophobicContact CD2-CG2 4.37Å; L139-V141 HydrophobicContact CG-CG2 4.34Å; V141-Q181 CarbonylContact O-C 3.53Å; V141-Q181 WeakPolarHBondContact O-CA 3.15Å; V141-V182 PolarHBondContact N-O 2.98Å; V141-V182 PolarHBondContact O-N 3.42Å; V141-L184 HydrophobicContact CG2-CD1 4.12Å |
| 142 | R | 91.4 | Very high | 85.2 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 25% | 0.249 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.7 | 174.2 | -62.2 | -178.8 | 178.9 | -117.3 | -6 | 109.7 | I129 R130 E132 T140 E179 T180 Q181 D198 | I129-R142 CarbonylContact C-O 3.43Å; I129-R142 WeakPolarHBondContact CA-O 3.34Å; R130-R142 PolarHBondContact N-O 3.27Å; R130-R142 PolarHBondContact O-N 2.79Å; E132-R142 IonicContact OE2-NE 3.23Å; T140-R142 HydrophobicContact CG2-CG 4.43Å; R142-E179 IonicContact NH1-OE1 3.48Å; R142-T180 CarbonylContact C-O 3.48Å; R142-T180 VanDerWaalsContact CA-O 3.25Å; R142-T180 WeakPolarHBondContact CA-O 3.04Å; R142-Q181 HydrophobicContact CG-CB 4.46Å; R142-D198 IonicContact CZ-OD2 3.75Å; R142-D198 IonicContact NH1-OD2 3.73Å; R142-D198 PolarHBondContact NH1-OD2 3.12Å; R142-D198 IonicContact NH2-OD2 3.91Å |
| 143 | A | 91.7 | Very high | 85 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 150.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L126 I129 T180 | L126-A143 HydrophobicContact CD2-CB 4.25Å; I129-A143 HydrophobicContact CG1-CB 3.95Å; A143-T180 PolarHBondContact N-O 3.27Å; A143-T180 PolarHBondContact O-N 3.11Å; A143-T180 PolarHBondContact O-OG1 3.26Å |
| 144 | Q | 93.3 | Very high | 85 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.7 | 166.4 | -69.7 | 173 | -9.6 | 0 | 0 | 108.3 | L126 S127 N128 A178 | L126-Q144 CarbonylContact C-O 3.58Å; L126-Q144 VanDerWaalsContact CA-O 3.3Å; L126-Q144 WeakPolarHBondContact CA-O 3.28Å; S127-Q144 PolarHBondContact N-O 2.99Å; S127-Q144 PolarHBondContact O-N 3.49Å; S127-Q144 WeakPolarHBondContact OG-CB 3.36Å; N128-Q144 HydrophobicContact CB-CG 4.31Å; N128-Q144 PolarHBondContact ND2-NE2 3.24Å; Q144-A178 WeakPolarHBondContact CA-O 3.48Å |
| 145 | V | 91.8 | Very high | 85.2 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.9 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | P124 V125 L126 L176 A177 A178 T180 F197 | P124-V145 HydrophobicContact CB-CG2 4.11Å; V125-V145 WeakPolarHBondContact O-CA 3.11Å; L126-V145 HydrophobicContact CD2-CB 3.7Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å; V145-L176 HydrophobicContact CG1-CD2 3.83Å; V145-A177 WeakPolarHBondContact O-CA 3.49Å; V145-A178 HydrophobicContact CG1-CB 3.97Å; V145-A178 PolarHBondContact N-O 2.89Å; V145-A178 PolarHBondContact O-N 2.66Å; V145-T180 HydrophobicContact CB-CG2 4.24Å; V145-T180 HydrophobicContact CG1-CG2 3.51Å; V145-F197 HydrophobicContact CG1-CE1 3.96Å |
| 146 | A | 91.3 | Very high | 85.5 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | P124 V125 L176 | P124-A146 CarbonylContact C-O 3.56Å; P124-A146 WeakPolarHBondContact CA-O 3.42Å; V125-A146 PolarHBondContact N-O 3.05Å; V125-A146 PolarHBondContact O-N 2.88Å; A146-L176 CarbonylContact C-O 3.54Å; A146-L176 WeakPolarHBondContact CA-O 3.2Å |
| 147 | F | 86.7 | Confident | 85.7 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151.4 | 167.9 | 77.2 | -106.6 | 0 | 0 | 0 | 111.2 | P124 L150 L173 L176 | P124-F147 HydrophobicContact CB-CB 4.1Å; P124-F147 HydrophobicContact CG-CB 4.08Å; F147-L150 HydrophobicContact CD2-CB 4.27Å; F147-L150 HydrophobicContact CE2-CB 3.53Å; F147-L150 HydrophobicContact CZ-CB 3.93Å; F147-L150 HydrophobicContact CZ-CD2 4.47Å; F147-L173 HydrophobicContact CE2-CB 4.25Å; F147-L173 HydrophobicContact CZ-CB 4.12Å; F147-L176 HydrophobicContact CD1-CB 3.51Å; F147-L176 HydrophobicContact CD1-CD1 4.35Å; F147-L176 HydrophobicContact CD1-CD2 3.81Å; F147-L176 HydrophobicContact CD1-CG 4.05Å; F147-L176 HydrophobicContact CD2-CB 4.3Å; F147-L176 HydrophobicContact CE1-CB 3.27Å; F147-L176 HydrophobicContact CE1-CD1 3.53Å; F147-L176 HydrophobicContact CE1-CD2 3.84Å; F147-L176 HydrophobicContact CE1-CG 3.69Å; F147-L176 HydrophobicContact CE2-CB 4.06Å; F147-L176 HydrophobicContact CG-CB 4.03Å; F147-L176 HydrophobicContact CZ-CB 3.54Å; F147-L176 HydrophobicContact CZ-CD1 4.04Å; F147-L176 HydrophobicContact CZ-CG 4.29Å; F147-L176 PolarHBondContact N-O 3.46Å; F147-L176 PolarHBondContact O-N 3.46Å |
| 148 | E | 87.4 | Confident | 85.5 | Confident | 132 Ų | 132 | 38.7 Ų | 38.7 | 62% | 0.617 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -50.7 | -173.1 | -54.3 | -175.3 | 155.6 | 0 | 0 | 113.3 | S122 Q174 H175 | S122-E148 WeakPolarHBondContact OG-CB 3.49Å; E148-Q174 CarbonylContact O-C 3.57Å; E148-Q174 VanDerWaalsContact O-CA 3.27Å; E148-Q174 WeakPolarHBondContact O-CA 3.36Å; E148-H175 PolarHBondContact O-N 3.14Å |
| 149 | S | 86.8 | Confident | 84.7 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 135.4 | 179.9 | -163.1 | 0 | 0 | 0 | 0 | 114.2 | T118 S122 L173 | T118-S149 WeakPolarHBondContact CG2-OG 3.28Å; S122-S149 PolarHBondContact OG-N 2.83Å; S149-L173 WeakPolarHBondContact CA-O 3.26Å |
| 150 | L | 86.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.1 | 170.2 | -176.9 | 76.2 | 0 | 0 | 0 | 108.5 | W85 V115 F117 F147 L152 L173 | W85-L150 HydrophobicContact CH2-CD1 4.47Å; W85-L150 HydrophobicContact CH2-CD2 3.48Å; W85-L150 VanDerWaalsContact CH2-CD2 3.48Å; W85-L150 HydrophobicContact CZ2-CD2 4.12Å; W85-L150 HydrophobicContact CZ3-CD2 4.34Å; V115-L150 HydrophobicContact CG1-CD1 3.64Å; V115-L150 HydrophobicContact CG1-CD2 4.19Å; V115-L150 HydrophobicContact CG1-CG 4.08Å; F117-L150 HydrophobicContact CD1-CD1 3.8Å; F117-L150 HydrophobicContact CD2-CD1 4.4Å; F117-L150 HydrophobicContact CE1-CD1 3.59Å; F117-L150 HydrophobicContact CE2-CD1 4.2Å; F117-L150 HydrophobicContact CG-CD1 4.21Å; F117-L150 HydrophobicContact CZ-CD1 3.8Å; F147-L150 HydrophobicContact CD2-CB 4.27Å; F147-L150 HydrophobicContact CE2-CB 3.53Å; F147-L150 HydrophobicContact CZ-CB 3.93Å; F147-L150 HydrophobicContact CZ-CD2 4.47Å; L150-L152 HydrophobicContact CD2-CD2 4.09Å; L150-L152 HydrophobicContact CG-CD2 4.42Å; L150-L173 HydrophobicContact CB-CB 4.33Å; L150-L173 HydrophobicContact CD2-CD2 4.45Å; L150-L173 PolarHBondContact N-O 3.2Å; L150-L173 PolarHBondContact O-N 3.23Å |
| 151 | I | 86.9 | Confident | 81.8 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.9 | -179.7 | -59.2 | 176.7 | 0 | 0 | 0 | 109.7 | V115 Y116 T118 E170 H172 | V115-I151 WeakPolarHBondContact CA-O 3.05Å; Y116-I151 HydrophobicContact CD2-CB 4Å; Y116-I151 HydrophobicContact CD2-CD1 4.28Å; Y116-I151 HydrophobicContact CE1-CB 4.32Å; Y116-I151 HydrophobicContact CE1-CG2 3.94Å; Y116-I151 HydrophobicContact CE2-CB 3.63Å; Y116-I151 HydrophobicContact CE2-CD1 3.59Å; Y116-I151 HydrophobicContact CE2-CG1 4.13Å; Y116-I151 HydrophobicContact CE2-CG2 3.75Å; Y116-I151 HydrophobicContact CG-CB 4.5Å; Y116-I151 VanDerWaalsContact CZ-CG2 3.41Å; Y116-I151 PolarHBondContact N-O 2.79Å; Y116-I151 PolarHBondContact O-N 3.07Å; Y116-I151 WeakPolarHBondContact OH-CG2 3.17Å; T118-I151 HydrophobicContact CG2-CD1 3.55Å; T118-I151 HydrophobicContact CG2-CG1 4.12Å; I151-E170 HydrophobicContact CG2-CG 3.3Å; I151-E170 WeakPolarHBondContact CG2-OE1 3.42Å; I151-H172 WeakPolarHBondContact CG1-ND1 3.32Å |
| 152 | L | 88.5 | Confident | 80.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.3 | 174.7 | -51.1 | 177.1 | 0 | 0 | 0 | 109.2 | M89 F112 E114 V115 L150 E170 A171 L173 | M89-L152 HydrophobicContact CE-CD2 4.22Å; M89-L152 HydrophobicContact SD-CD1 4.37Å; F112-L152 HydrophobicContact CD1-CB 4.23Å; F112-L152 HydrophobicContact CD1-CD1 4.27Å; F112-L152 HydrophobicContact CE1-CB 4.4Å; F112-L152 HydrophobicContact CE1-CD1 3.91Å; E114-L152 WeakPolarHBondContact O-CA 3.46Å; V115-L152 HydrophobicContact CB-CD2 4.05Å; V115-L152 HydrophobicContact CG1-CD2 3.71Å; V115-L152 HydrophobicContact CG2-CD2 3.52Å; L150-L152 HydrophobicContact CD2-CD2 4.09Å; L150-L152 HydrophobicContact CG-CD2 4.42Å; L152-E170 WeakPolarHBondContact O-CA 3.45Å; L152-A171 HydrophobicContact CB-CB 4.31Å; L152-A171 PolarHBondContact N-O 3.11Å; L152-A171 PolarHBondContact O-N 3.25Å; L152-L173 HydrophobicContact CD1-CD1 3.71Å; L152-L173 HydrophobicContact CD1-CD2 4.24Å; L152-L173 HydrophobicContact CG-CD1 3.98Å |
| 153 | R | 84 | Confident | 78.4 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.7 | 166.7 | -67.6 | -178.8 | 117.8 | 167.9 | 2.9 | 109.5 | E113 E114 Y116 F169 E170 S232 | E113-R153 PolarHBondContact N-O 3.07Å; E114-R153 HydrophobicContact CB-CB 4.06Å; E114-R153 PolarHBondContact N-O 3.09Å; E114-R153 PolarHBondContact O-N 3.18Å; E114-R153 VanDerWaalsContact OE2-CD 3.31Å; E114-R153 WeakPolarHBondContact OE2-CD 3.47Å; E114-R153 IonicContact OE2-NH1 2.67Å; Y116-R153 HydrophobicContact CE1-CG 3.89Å; R153-F169 WeakPolarHBondContact CA-O 3.42Å; R153-E170 HydrophobicContact CG-CG 4.3Å; R153-E170 IonicContact NE-OE2 2.93Å; R153-S232 PolarHBondContact NH2-OG 3.44Å; R153-S232 VanDerWaalsContact NH2-OG 3.15Å |
| 154 | L | 83.1 | Confident | 76.5 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.9 | -177.7 | 65.6 | 100.7 | 0 | 0 | 0 | 111.3 | V110 V111 F112 F169 A171 | V110-L154 HydrophobicContact CG1-CD1 3.93Å; V111-L154 CarbonylContact O-C 3.41Å; V111-L154 WeakPolarHBondContact O-CA 3.25Å; F112-L154 HydrophobicContact CD1-CB 3.86Å; F112-L154 HydrophobicContact CD1-CD2 4.17Å; F112-L154 HydrophobicContact CE1-CB 4.2Å; F112-L154 HydrophobicContact CE1-CD2 3.73Å; F112-L154 HydrophobicContact CG-CB 4.4Å; L154-F169 HydrophobicContact CD1-CB 3.8Å; L154-F169 HydrophobicContact CD1-CD2 4.03Å; L154-F169 HydrophobicContact CD1-CG 4.25Å; L154-F169 HydrophobicContact CG-CB 3.95Å; L154-F169 PolarHBondContact N-O 3.24Å; L154-F169 PolarHBondContact O-N 3.19Å; L154-A171 HydrophobicContact CD2-CB 3.84Å |
| 155 | T | 78.6 | Confident | 74.7 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.3 | -179.9 | -65 | 0 | 0 | 0 | 0 | 108.2 | V110 V111 E113 T166 Q167 N168 | V110-T155 WeakPolarHBondContact CA-O 3.4Å; V111-T155 PolarHBondContact N-O 3.05Å; V111-T155 PolarHBondContact O-N 3.48Å; E113-T155 WeakPolarHBondContact OE1-CB 3.34Å; E113-T155 PolarHBondContact OE1-OG1 3.12Å; T155-T166 HydrophobicContact CG2-CG2 3.08Å; T155-Q167 CarbonylContact C-O 3.58Å; T155-Q167 WeakPolarHBondContact CA-O 3.23Å; T155-N168 PolarHBondContact OG1-OD1 3.45Å |
| 156 | A | 78.2 | Confident | 73 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A109 V110 T166 Q167 F169 | A109-A156 WeakPolarHBondContact O-CA 3.45Å; V110-A156 HydrophobicContact CG2-CB 4.29Å; A156-T166 CarbonylContact O-C 3.49Å; A156-T166 WeakPolarHBondContact O-CA 3.18Å; A156-Q167 PolarHBondContact N-O 3.42Å; A156-Q167 PolarHBondContact O-N 3.47Å; A156-F169 HydrophobicContact CB-CD2 4.04Å; A156-F169 HydrophobicContact CB-CE2 3.61Å |
| 157 | S | 72.5 | Confident | 71.5 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.3 | 178 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | K108 A109 M164 I165 | K108-S157 CarbonylContact C-O 3.47Å; K108-S157 WeakPolarHBondContact CA-O 3.4Å; A109-S157 PolarHBondContact N-O 2.91Å; A109-S157 PolarHBondContact O-N 3.03Å; S157-M164 VanDerWaalsContact OG-CE 3.28Å; S157-M164 WeakPolarHBondContact OG-CE 3.41Å; S157-I165 CarbonylContact C-O 3.58Å; S157-I165 WeakPolarHBondContact CA-O 3.42Å |
| 158 | K | 68.7 | Low | 71 | Confident | 77 Ų | 77 | 59.5 Ų | 59.5 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.1 | 171.9 | 129 | 177.8 | 173.8 | 173.7 | 0 | 108.8 | E107 K108 D160 I165 | E107-K158 WeakPolarHBondContact O-CA 3.1Å; K108-K158 HydrophobicContact CG-CB 4.49Å; K158-D160 VanDerWaalsContact CE-CB 3.46Å; K158-D160 WeakPolarHBondContact CE-OD1 3.39Å; K158-D160 HydrophobicContact CG-CB 4.47Å; K158-D160 IonicContact NZ-OD1 2.74Å; K158-D160 PolarHBondContact NZ-OD1 3.15Å; K158-I165 PolarHBondContact N-O 3.07Å; K158-I165 PolarHBondContact O-N 3.45Å |
| 159 | I | 66.2 | Low | 70.5 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.1 | 168.5 | -57.8 | 179.1 | 0 | 0 | 0 | 108.7 | S106 E107 R163 | S106-I159 WeakPolarHBondContact CB-O 3.22Å; E107-I159 HydrophobicContact CB-CD1 4.23Å; E107-I159 HydrophobicContact CB-CG1 4.49Å; E107-I159 PolarHBondContact O-N 3.05Å; I159-R163 CarbonylContact C-O 3.59Å; I159-R163 WeakPolarHBondContact CA-O 3.48Å |
| 160 | D | 55.1 | Low | 70.4 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109 | 178.2 | -166.1 | 55.2 | 0 | 0 | 0 | 109.1 | K158 D162 R163 I165 | K158-D160 VanDerWaalsContact CE-CB 3.46Å; K158-D160 WeakPolarHBondContact CE-OD1 3.39Å; K158-D160 HydrophobicContact CG-CB 4.47Å; K158-D160 IonicContact NZ-OD1 2.74Å; K158-D160 PolarHBondContact NZ-OD1 3.15Å; D160-D162 VanDerWaalsContact C-N 3.33Å; D160-D162 PolarHBondContact O-N 3.25Å; D160-R163 HydrophobicContact CB-CG 4.09Å; D160-R163 PolarHBondContact N-O 2.87Å; D160-R163 WeakPolarHBondContact O-CG 3.49Å; D160-R163 PolarHBondContact O-N 3.09Å; D160-R163 IonicContact OD2-CZ 2.96Å; D160-R163 IonicContact OD2-NE 3.91Å; D160-R163 PolarHBondContact OD2-NE 3.4Å; D160-R163 IonicContact OD2-NH2 3.56Å; D160-R163 PolarHBondContact OD2-NH2 2.91Å; D160-I165 HydrophobicContact CB-CD1 3.64Å; D160-I165 HydrophobicContact CB-CG1 4.17Å |
| 161 | T | 59.4 | Low | 70.3 | Confident | 136 Ų | 136 | 55.3 Ų | 55.3 | 83% | 0.834 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -79.8 | -177.8 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 162 | D | 60.7 | Low | 70.2 | Confident | 164 Ų | 164 | 56.9 Ų | 56.9 | 88% | 0.877 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.3 | 13.1 | 179.5 | -139.1 | 14.1 | 0 | 0 | 0 | 112.6 | D160 | D160-D162 VanDerWaalsContact C-N 3.33Å; D160-D162 PolarHBondContact O-N 3.25Å |
| 163 | R | 48.8 | Very low | 70.2 | Confident | 147 Ų | 147 | 57.6 Ų | 57.6 | 56% | 0.555 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.1 | 178 | 61.2 | 173.9 | -179.5 | -164.5 | -0.9 | 111.6 | I159 D160 I165 | I159-R163 CarbonylContact C-O 3.59Å; I159-R163 WeakPolarHBondContact CA-O 3.48Å; D160-R163 HydrophobicContact CB-CG 4.09Å; D160-R163 PolarHBondContact N-O 2.87Å; D160-R163 WeakPolarHBondContact O-CG 3.49Å; D160-R163 PolarHBondContact O-N 3.09Å; D160-R163 IonicContact OD2-CZ 2.96Å; D160-R163 IonicContact OD2-NE 3.91Å; D160-R163 PolarHBondContact OD2-NE 3.4Å; D160-R163 IonicContact OD2-NH2 3.56Å; D160-R163 PolarHBondContact OD2-NH2 2.91Å; R163-I165 HydrophobicContact CG-CG1 4.34Å |
| 164 | M | 52.7 | Low | 70.4 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.9 | 166.3 | -172.4 | 175.4 | -179.3 | 0 | 0 | 108.3 | S157 | S157-M164 VanDerWaalsContact OG-CE 3.28Å; S157-M164 WeakPolarHBondContact OG-CE 3.41Å |
| 165 | I | 55.4 | Low | 70.7 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.9 | 172.4 | -57 | 176.5 | 0 | 0 | 0 | 106.7 | S157 K158 D160 R163 | S157-I165 CarbonylContact C-O 3.58Å; S157-I165 WeakPolarHBondContact CA-O 3.42Å; K158-I165 PolarHBondContact N-O 3.07Å; K158-I165 PolarHBondContact O-N 3.45Å; D160-I165 HydrophobicContact CB-CD1 3.64Å; D160-I165 HydrophobicContact CB-CG1 4.17Å; R163-I165 HydrophobicContact CG-CG1 4.34Å |
| 166 | T | 55.4 | Low | 71.2 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.4 | -176.9 | -48.2 | 0 | 0 | 0 | 0 | 110.4 | T155 A156 D263 | T155-T166 HydrophobicContact CG2-CG2 3.08Å; A156-T166 CarbonylContact O-C 3.49Å; A156-T166 WeakPolarHBondContact O-CA 3.18Å; T166-D263 VanDerWaalsContact CB-OD2 3.26Å; T166-D263 WeakPolarHBondContact CB-OD2 3.33Å; T166-D263 PolarHBondContact OG1-OD2 2.8Å |
| 167 | Q | 59.9 | Low | 71.8 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 135.8 | 178.5 | -71.5 | -177.7 | -28.4 | 0 | 0 | 109.9 | T155 A156 F169 | T155-Q167 CarbonylContact C-O 3.58Å; T155-Q167 WeakPolarHBondContact CA-O 3.23Å; A156-Q167 PolarHBondContact N-O 3.42Å; A156-Q167 PolarHBondContact O-N 3.47Å; Q167-F169 HydrophobicContact CB-CD2 4.4Å; Q167-F169 HydrophobicContact CB-CE2 3.49Å; Q167-F169 VanDerWaalsContact CB-CE2 3.49Å; Q167-F169 HydrophobicContact CB-CZ 3.82Å; Q167-F169 WeakPolarHBondContact O-CD2 3.03Å; Q167-F169 WeakPolarHBondContact O-CE2 3.49Å |
| 168 | N | 75.1 | Confident | 72.7 | Confident | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.4 | 180 | -57.2 | -35.8 | 0 | 0 | 0 | 109.5 | T155 V210 | T155-N168 PolarHBondContact OG1-OD1 3.45Å; N168-V210 HydrophobicContact CB-CB 3.91Å; N168-V210 HydrophobicContact CB-CG2 4.5Å; N168-V210 PolarHBondContact O-N 2.89Å |
| 169 | F | 77.7 | Confident | 73.8 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.1 | -177.7 | -61.1 | -90.6 | 0 | 0 | 0 | 111 | R153 L154 A156 Q167 V207 S208 N209 V210 | R153-F169 WeakPolarHBondContact CA-O 3.42Å; L154-F169 HydrophobicContact CD1-CB 3.8Å; L154-F169 HydrophobicContact CD1-CD2 4.03Å; L154-F169 HydrophobicContact CD1-CG 4.25Å; L154-F169 HydrophobicContact CG-CB 3.95Å; L154-F169 PolarHBondContact N-O 3.24Å; L154-F169 PolarHBondContact O-N 3.19Å; A156-F169 HydrophobicContact CB-CD2 4.04Å; A156-F169 HydrophobicContact CB-CE2 3.61Å; Q167-F169 HydrophobicContact CB-CD2 4.4Å; Q167-F169 HydrophobicContact CB-CE2 3.49Å; Q167-F169 VanDerWaalsContact CB-CE2 3.49Å; Q167-F169 HydrophobicContact CB-CZ 3.82Å; Q167-F169 WeakPolarHBondContact O-CD2 3.03Å; Q167-F169 WeakPolarHBondContact O-CE2 3.49Å; F169-V207 HydrophobicContact CB-CG1 3.84Å; F169-V207 HydrophobicContact CD1-CG1 3.74Å; F169-V207 HydrophobicContact CG-CG1 4.09Å; F169-S208 CarbonylContact C-O 3.58Å; F169-S208 WeakPolarHBondContact CA-O 3.29Å; F169-N209 WeakPolarHBondContact CD1-OD1 3.4Å; F169-N209 WeakPolarHBondContact CE1-OD1 3.47Å; F169-N209 WeakPolarHBondContact CZ-OD1 3.07Å; F169-V210 VanDerWaalsContact C-CG2 3.48Å |
| 170 | E | 84.5 | Confident | 74.9 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.6 | 171.9 | -158.7 | 164.2 | 144.8 | 0 | 0 | 107.4 | Y116 I151 L152 R153 H172 V207 S208 V210 | Y116-E170 PolarHBondContact OH-OE1 3.08Å; Y116-E170 PolarHBondContact OH-OE2 2.94Å; I151-E170 HydrophobicContact CG2-CG 3.3Å; I151-E170 WeakPolarHBondContact CG2-OE1 3.42Å; L152-E170 WeakPolarHBondContact O-CA 3.45Å; R153-E170 HydrophobicContact CG-CG 4.3Å; R153-E170 IonicContact NE-OE2 2.93Å; E170-H172 IonicContact OE1-CE1 3.61Å; E170-H172 IonicContact OE1-NE2 2.85Å; E170-V207 WeakPolarHBondContact O-CA 3.15Å; E170-S208 PolarHBondContact N-O 2.67Å; E170-S208 PolarHBondContact O-N 3.49Å; E170-S208 PolarHBondContact O-OG 3.04Å; E170-V210 HydrophobicContact CB-CG2 3.71Å |
| 171 | A | 85.4 | Confident | 76.5 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L152 L154 L173 T206 V207 | L152-A171 HydrophobicContact CB-CB 4.31Å; L152-A171 PolarHBondContact N-O 3.11Å; L152-A171 PolarHBondContact O-N 3.25Å; L154-A171 HydrophobicContact CD2-CB 3.84Å; A171-L173 HydrophobicContact CB-CD1 4.28Å; A171-T206 CarbonylContact C-O 3.57Å; A171-T206 VanDerWaalsContact CA-O 3.27Å; A171-T206 WeakPolarHBondContact CA-O 2.95Å; A171-V207 HydrophobicContact CB-CG2 4.1Å |
| 172 | H | 85.1 | Confident | 77.8 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.3 | 173.7 | -59.2 | -102.9 | 0 | 0 | 0 | 108.7 | I151 E170 Q174 I205 T206 | I151-H172 WeakPolarHBondContact CG1-ND1 3.32Å; E170-H172 IonicContact OE1-CE1 3.61Å; E170-H172 IonicContact OE1-NE2 2.85Å; H172-Q174 HydrophobicContact CB-CG 4.43Å; H172-I205 WeakPolarHBondContact O-CA 3.2Å; H172-T206 PolarHBondContact N-O 3.47Å; H172-T206 PolarHBondContact O-N 3.35Å |
| 173 | L | 88.4 | Confident | 78.9 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.1 | 171.2 | -75.7 | 64.5 | 0 | 0 | 0 | 106.7 | F147 S149 L150 L152 A171 L203 L204 I205 | F147-L173 HydrophobicContact CE2-CB 4.25Å; F147-L173 HydrophobicContact CZ-CB 4.12Å; S149-L173 WeakPolarHBondContact CA-O 3.26Å; L150-L173 HydrophobicContact CB-CB 4.33Å; L150-L173 HydrophobicContact CD2-CD2 4.45Å; L150-L173 PolarHBondContact N-O 3.2Å; L150-L173 PolarHBondContact O-N 3.23Å; L152-L173 HydrophobicContact CD1-CD1 3.71Å; L152-L173 HydrophobicContact CD1-CD2 4.24Å; L152-L173 HydrophobicContact CG-CD1 3.98Å; A171-L173 HydrophobicContact CB-CD1 4.28Å; L173-L203 HydrophobicContact CB-CD1 4Å; L173-L203 HydrophobicContact CD2-CD1 3.9Å; L173-L203 HydrophobicContact CG-CD1 3.7Å; L173-L204 WeakPolarHBondContact CA-O 3.45Å; L173-I205 HydrophobicContact CG-CG1 4.42Å |
| 174 | Q | 88 | Confident | 80.8 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 29% | 0.285 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.6 | -175 | -66.5 | -179.8 | -41.1 | 0 | 0 | 111.3 | E148 H172 L176 L204 | E148-Q174 CarbonylContact O-C 3.57Å; E148-Q174 VanDerWaalsContact O-CA 3.27Å; E148-Q174 WeakPolarHBondContact O-CA 3.36Å; H172-Q174 HydrophobicContact CB-CG 4.43Å; Q174-L176 PolarHBondContact O-N 2.95Å; Q174-L204 HydrophobicContact CB-CB 4.24Å; Q174-L204 PolarHBondContact N-O 2.82Å; Q174-L204 PolarHBondContact O-N 2.78Å |
| 175 | H | 89.4 | Confident | 82.2 | Confident | 132 Ų | 132 | 44.8 Ų | 44.8 | 61% | 0.611 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 51.4 | 173.9 | -49.8 | -56.9 | 0 | 0 | 0 | 112.8 | E148 A177 | E148-H175 PolarHBondContact O-N 3.14Å; H175-A177 PolarHBondContact O-N 2.85Å |
| 176 | L | 88.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 128.4 | 174.4 | -175.8 | 137 | 0 | 0 | 0 | 109.2 | V145 A146 F147 Q174 A178 F197 P201 E202 L203 | V145-L176 HydrophobicContact CG1-CD2 3.83Å; A146-L176 CarbonylContact C-O 3.54Å; A146-L176 WeakPolarHBondContact CA-O 3.2Å; F147-L176 HydrophobicContact CD1-CB 3.51Å; F147-L176 HydrophobicContact CD1-CD1 4.35Å; F147-L176 HydrophobicContact CD1-CD2 3.81Å; F147-L176 HydrophobicContact CD1-CG 4.05Å; F147-L176 HydrophobicContact CD2-CB 4.3Å; F147-L176 HydrophobicContact CE1-CB 3.27Å; F147-L176 HydrophobicContact CE1-CD1 3.53Å; F147-L176 HydrophobicContact CE1-CD2 3.84Å; F147-L176 HydrophobicContact CE1-CG 3.69Å; F147-L176 HydrophobicContact CE2-CB 4.06Å; F147-L176 HydrophobicContact CG-CB 4.03Å; F147-L176 HydrophobicContact CZ-CB 3.54Å; F147-L176 HydrophobicContact CZ-CD1 4.04Å; F147-L176 HydrophobicContact CZ-CG 4.29Å; F147-L176 PolarHBondContact N-O 3.46Å; F147-L176 PolarHBondContact O-N 3.46Å; Q174-L176 PolarHBondContact O-N 2.95Å; L176-A178 HydrophobicContact CD2-CB 4.15Å; L176-F197 HydrophobicContact CD1-CZ 4.32Å; L176-F197 HydrophobicContact CD2-CE1 4.5Å; L176-P201 HydrophobicContact CD1-CB 4.25Å; L176-E202 CarbonylContact C-O 3.47Å; L176-E202 VanDerWaalsContact CA-O 3.23Å; L176-E202 WeakPolarHBondContact CA-O 3.28Å; L176-L203 HydrophobicContact CB-CB 4.1Å; L176-L203 HydrophobicContact CD1-CB 4.33Å; L176-L203 HydrophobicContact CD1-CD1 4.49Å; L176-L203 HydrophobicContact CD1-CD2 4.09Å; L176-L203 HydrophobicContact CG-CB 4.37Å |
| 177 | A | 91.5 | Very high | 84.5 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V145 H175 E202 | V145-A177 WeakPolarHBondContact O-CA 3.49Å; H175-A177 PolarHBondContact O-N 2.85Å; A177-E202 PolarHBondContact N-O 3.47Å; A177-E202 PolarHBondContact O-N 2.92Å |
| 178 | A | 90.7 | Very high | 85.6 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 154.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q144 V145 L176 F197 P201 | Q144-A178 WeakPolarHBondContact CA-O 3.48Å; V145-A178 HydrophobicContact CG1-CB 3.97Å; V145-A178 PolarHBondContact N-O 2.89Å; V145-A178 PolarHBondContact O-N 2.66Å; L176-A178 HydrophobicContact CD2-CB 4.15Å; A178-F197 HydrophobicContact CB-CD1 3.42Å; A178-F197 VanDerWaalsContact CB-CD1 3.42Å; A178-F197 HydrophobicContact CB-CE1 3.6Å; A178-F197 HydrophobicContact CB-CG 4.4Å; A178-P201 HydrophobicContact CB-CB 3.62Å |
| 179 | E | 91.7 | Very high | 86 | Confident | 61 Ų | 61 | 56 Ų | 56 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 137.1 | 162 | -167.7 | 164.3 | 178.2 | 0 | 0 | 109.1 | R142 F197 D198 | R142-E179 IonicContact NH1-OE1 3.48Å; E179-F197 CarbonylContact O-C 3.51Å; E179-F197 WeakPolarHBondContact O-CA 3.15Å; E179-D198 HydrophobicContact CB-CB 4.29Å; E179-D198 HydrophobicContact CG-CB 4.21Å; E179-D198 PolarHBondContact O-N 2.89Å |
| 180 | T | 89.9 | Confident | 86.1 | Confident | 27 Ų | 27 | 59 Ų | 59 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.7 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | R142 A143 V145 C196 F197 | R142-T180 CarbonylContact C-O 3.48Å; R142-T180 VanDerWaalsContact CA-O 3.25Å; R142-T180 WeakPolarHBondContact CA-O 3.04Å; A143-T180 PolarHBondContact N-O 3.27Å; A143-T180 PolarHBondContact O-N 3.11Å; A143-T180 PolarHBondContact O-OG1 3.26Å; V145-T180 HydrophobicContact CB-CG2 4.24Å; V145-T180 HydrophobicContact CG1-CG2 3.51Å; T180-C196 WeakPolarHBondContact CA-O 3.39Å; T180-F197 HydrophobicContact CG2-CD1 3.57Å; T180-F197 HydrophobicContact CG2-CE1 3.69Å |
| 181 | Q | 88 | Confident | 86 | Confident | 22 Ų | 22 | 64 Ų | 64 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.6 | 170.4 | 65.5 | 178.9 | -35.9 | 0 | 0 | 109.7 | T140 V141 R142 G195 C196 D198 | T140-Q181 HydrophobicContact CG2-CB 4.41Å; V141-Q181 CarbonylContact O-C 3.53Å; V141-Q181 WeakPolarHBondContact O-CA 3.15Å; R142-Q181 HydrophobicContact CG-CB 4.46Å; Q181-G195 CarbonylContact O-C 3.59Å; Q181-G195 WeakPolarHBondContact O-CA 3.33Å; Q181-C196 WeakPolarHBondContact CG-SG 3.38Å; Q181-C196 PolarHBondContact N-O 2.76Å; Q181-C196 PolarHBondContact NE2-SG 3.1Å; Q181-C196 PolarHBondContact O-N 3.18Å; Q181-D198 HydrophobicContact CG-CB 4.46Å |
| 182 | V | 87.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.6 | 172.6 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | T140 V141 L184 A193 M194 | T140-V182 WeakPolarHBondContact CA-O 3.34Å; V141-V182 PolarHBondContact N-O 2.98Å; V141-V182 PolarHBondContact O-N 3.42Å; V182-L184 HydrophobicContact CG1-CD2 3.98Å; V182-L184 HydrophobicContact CG1-CG 4.39Å; V182-A193 HydrophobicContact CG1-CB 4.41Å; V182-M194 CarbonylContact C-O 3.55Å; V182-M194 WeakPolarHBondContact CA-O 3.31Å |
| 183 | R | 84.2 | Confident | 85.5 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 43% | 0.434 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.6 | 174.9 | -65.4 | -176.7 | -175.9 | 179.1 | 2 | 109.4 | T140 A193 M194 | T140-R183 HydrophobicContact CG2-CG 4.27Å; R183-A193 WeakPolarHBondContact O-CA 3.32Å; R183-M194 PolarHBondContact N-O 2.78Å; R183-M194 PolarHBondContact O-N 2.83Å |
| 184 | L | 88.2 | Confident | 85.1 | Confident | 45 Ų | 45 | 74.5 Ų | 74.5 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.6 | 176.7 | -57.5 | 173.2 | 0 | 0 | 0 | 108.6 | H138 L139 V141 V182 L191 F192 A193 | H138-L184 CarbonylContact C-O 3.47Å; H138-L184 VanDerWaalsContact CA-O 3.31Å; H138-L184 WeakPolarHBondContact CA-O 3.48Å; L139-L184 HydrophobicContact CB-CB 4.27Å; L139-L184 HydrophobicContact CD2-CD1 4.19Å; L139-L184 PolarHBondContact N-O 3.27Å; L139-L184 PolarHBondContact O-N 3.41Å; V141-L184 HydrophobicContact CG2-CD1 4.12Å; V182-L184 HydrophobicContact CG1-CD2 3.98Å; V182-L184 HydrophobicContact CG1-CG 4.39Å; L184-L191 HydrophobicContact CB-CD1 4.46Å; L184-F192 CarbonylContact C-O 3.4Å; L184-F192 VanDerWaalsContact CA-O 3.31Å; L184-F192 WeakPolarHBondContact CA-O 3.22Å; L184-A193 HydrophobicContact CD2-CB 3.58Å |
| 185 | A | 82.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 10% | 0.099 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L187 F192 | A185-L187 HydrophobicContact CB-CD1 4.35Å; A185-L187 HydrophobicContact CB-CG 4.35Å; A185-F192 PolarHBondContact N-O 3.26Å; A185-F192 PolarHBondContact O-N 2.84Å |
| 186 | Y | 79.8 | Confident | 84.4 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 57% | 0.569 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111.3 | 173.3 | -178.8 | -105.4 | 0 | 0 | 0 | 108.8 | S189 D190 | Y186-S189 WeakPolarHBondContact OH-CA 3.36Å; Y186-D190 WeakPolarHBondContact CA-O 3.41Å |
| 187 | L | 79.6 | Confident | 84.3 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 46% | 0.461 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.1 | -174.6 | -63.2 | 169.4 | 0 | 0 | 0 | 108.7 | A185 S189 D190 F192 | A185-L187 HydrophobicContact CB-CD1 4.35Å; A185-L187 HydrophobicContact CB-CG 4.35Å; L187-S189 PolarHBondContact O-N 2.69Å; L187-D190 PolarHBondContact N-O 2.84Å; L187-D190 PolarHBondContact O-N 2.8Å; L187-F192 HydrophobicContact CB-CD2 4.02Å; L187-F192 HydrophobicContact CB-CE2 3.88Å; L187-F192 HydrophobicContact CD1-CD2 4.08Å; L187-F192 HydrophobicContact CD1-CE2 4.38Å; L187-F192 HydrophobicContact CG-CD2 4.37Å |
| 188 | C | 83.1 | Confident | 83.9 | Confident | 128 Ų | 128 | 75.3 Ų | 75.3 | 87% | 0.865 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | D190 | C188-D190 PolarHBondContact O-N 3.25Š|
| 189 | S | 83.7 | Confident | 83.7 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 63% | 0.629 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 4.8 | -176.8 | -58.9 | 0 | 0 | 0 | 0 | 116.7 | Y186 L187 | Y186-S189 WeakPolarHBondContact OH-CA 3.36Å; L187-S189 PolarHBondContact O-N 2.69Å |
| 190 | D | 80.1 | Confident | 83.4 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.8 | 173.7 | -68.1 | -31.7 | 0 | 0 | 0 | 111.3 | Y186 L187 C188 F192 | Y186-D190 WeakPolarHBondContact CA-O 3.41Å; L187-D190 PolarHBondContact N-O 2.84Å; L187-D190 PolarHBondContact O-N 2.8Å; C188-D190 PolarHBondContact O-N 3.25Å; D190-F192 HydrophobicContact CB-CD2 4.26Å; D190-F192 HydrophobicContact CB-CE2 3.54Å; D190-F192 HydrophobicContact CB-CZ 3.94Å |
| 191 | L | 81.5 | Confident | 83.3 | Confident | 125 Ų | 125 | 85.8 Ų | 85.8 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.7 | 172.1 | -179.6 | 67 | 0 | 0 | 0 | 109.6 | L184 | L184-L191 HydrophobicContact CB-CD1 4.46Å |
| 192 | F | 79.9 | Confident | 83.3 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.6 | 175 | -66.1 | -89.5 | 0 | 0 | 0 | 110 | L184 A185 L187 D190 | L184-F192 CarbonylContact C-O 3.4Å; L184-F192 VanDerWaalsContact CA-O 3.31Å; L184-F192 WeakPolarHBondContact CA-O 3.22Å; A185-F192 PolarHBondContact N-O 3.26Å; A185-F192 PolarHBondContact O-N 2.84Å; L187-F192 HydrophobicContact CB-CD2 4.02Å; L187-F192 HydrophobicContact CB-CE2 3.88Å; L187-F192 HydrophobicContact CD1-CD2 4.08Å; L187-F192 HydrophobicContact CD1-CE2 4.38Å; L187-F192 HydrophobicContact CG-CD2 4.37Å; D190-F192 HydrophobicContact CB-CD2 4.26Å; D190-F192 HydrophobicContact CB-CE2 3.54Å; D190-F192 HydrophobicContact CB-CZ 3.94Å |
| 193 | A | 81 | Confident | 83.3 | Confident | 73 Ų | 73 | 92 Ų | 92 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | V182 R183 L184 | V182-A193 HydrophobicContact CG1-CB 4.41Å; R183-A193 WeakPolarHBondContact O-CA 3.32Å; L184-A193 HydrophobicContact CD2-CB 3.58Å |
| 194 | M | 80.2 | Confident | 83.5 | Confident | 113 Ų | 113 | 90.7 Ų | 90.7 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 110.5 | 175.2 | -176.5 | 179.6 | 65.8 | 0 | 0 | 109.4 | V182 R183 | V182-M194 CarbonylContact C-O 3.55Å; V182-M194 WeakPolarHBondContact CA-O 3.31Å; R183-M194 PolarHBondContact N-O 2.78Å; R183-M194 PolarHBondContact O-N 2.83Å |
| 195 | G | 80.4 | Confident | 83.5 | Confident | 54 Ų | 54 | 93.4 Ų | 93.4 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q181 | Q181-G195 CarbonylContact O-C 3.59Å; Q181-G195 WeakPolarHBondContact O-CA 3.33Å |
| 196 | C | 82.3 | Confident | 83.6 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 165 | 167.2 | 60 | 0 | 0 | 0 | 0 | 111.3 | T180 Q181 | T180-C196 WeakPolarHBondContact CA-O 3.39Å; Q181-C196 WeakPolarHBondContact CG-SG 3.38Å; Q181-C196 PolarHBondContact N-O 2.76Å; Q181-C196 PolarHBondContact NE2-SG 3.1Å; Q181-C196 PolarHBondContact O-N 3.18Å |
| 197 | F | 85 | Confident | 83.7 | Confident | 93 Ų | 93 | 92.9 Ų | 92.9 | 41% | 0.408 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 136 | 165.5 | -65.3 | -65.9 | 0 | 0 | 0 | 109.6 | V145 L176 A178 E179 T180 G199 P201 | V145-F197 HydrophobicContact CG1-CE1 3.96Å; L176-F197 HydrophobicContact CD1-CZ 4.32Å; L176-F197 HydrophobicContact CD2-CE1 4.5Å; A178-F197 HydrophobicContact CB-CD1 3.42Å; A178-F197 VanDerWaalsContact CB-CD1 3.42Å; A178-F197 HydrophobicContact CB-CE1 3.6Å; A178-F197 HydrophobicContact CB-CG 4.4Å; E179-F197 CarbonylContact O-C 3.51Å; E179-F197 WeakPolarHBondContact O-CA 3.15Å; T180-F197 HydrophobicContact CG2-CD1 3.57Å; T180-F197 HydrophobicContact CG2-CE1 3.69Å; F197-G199 PolarHBondContact O-N 2.84Å; F197-P201 HydrophobicContact CD1-CB 4.4Å; F197-P201 HydrophobicContact CD2-CG 4.13Å; F197-P201 HydrophobicContact CE2-CG 4.36Å; F197-P201 HydrophobicContact CG-CB 4.41Å; F197-P201 HydrophobicContact CG-CG 4.38Å |
| 198 | D | 83.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 91 Ų | 91 | 32% | 0.321 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -87.5 | 95.6 | 168.9 | -165.2 | 10.8 | 0 | 0 | 0 | 108.4 | R142 E179 Q181 | R142-D198 IonicContact CZ-OD2 3.75Å; R142-D198 IonicContact NH1-OD2 3.73Å; R142-D198 PolarHBondContact NH1-OD2 3.12Å; R142-D198 IonicContact NH2-OD2 3.91Å; E179-D198 HydrophobicContact CB-CB 4.29Å; E179-D198 HydrophobicContact CG-CB 4.21Å; E179-D198 PolarHBondContact O-N 2.89Å; Q181-D198 HydrophobicContact CG-CB 4.46Å |
| 199 | G | 85.2 | Confident | 83 | Confident | 57 Ų | 57 | 88.4 Ų | 88.4 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 91.5 | -169.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F197 | F197-G199 PolarHBondContact O-N 2.84Š|
| 200 | R | 85.4 | Confident | 82 | Confident | 236 Ų | 236 | 84.7 Ų | 84.7 | 89% | 0.891 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 125.1 | 179.6 | -178.2 | 175.2 | -179.2 | 151.1 | -0.1 | 108.9 | ||
| 201 | P | 88.9 | Confident | 81.5 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 20% | 0.195 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 143.1 | 174.2 | 28.7 | -35.2 | 0 | 0 | 0 | 110.5 | L176 A178 F197 L203 | L176-P201 HydrophobicContact CD1-CB 4.25Å; A178-P201 HydrophobicContact CB-CB 3.62Å; F197-P201 HydrophobicContact CD1-CB 4.4Å; F197-P201 HydrophobicContact CD2-CG 4.13Å; F197-P201 HydrophobicContact CE2-CG 4.36Å; F197-P201 HydrophobicContact CG-CB 4.41Å; F197-P201 HydrophobicContact CG-CG 4.38Å; P201-L203 HydrophobicContact CB-CD2 3.96Å; P201-L203 HydrophobicContact CG-CD2 3.8Å |
| 202 | E | 86.7 | Confident | 81.1 | Confident | 149 Ų | 149 | 79.8 Ų | 79.8 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.2 | 167.6 | -64.1 | -175.8 | 174.8 | 0 | 0 | 107.6 | L176 A177 | L176-E202 CarbonylContact C-O 3.47Å; L176-E202 VanDerWaalsContact CA-O 3.23Å; L176-E202 WeakPolarHBondContact CA-O 3.28Å; A177-E202 PolarHBondContact N-O 3.47Å; A177-E202 PolarHBondContact O-N 2.92Å |
| 203 | L | 89.1 | Confident | 80.9 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 153.9 | 170.3 | 68.6 | 146 | 0 | 0 | 0 | 110.4 | L173 L176 P201 I205 | L173-L203 HydrophobicContact CB-CD1 4Å; L173-L203 HydrophobicContact CD2-CD1 3.9Å; L173-L203 HydrophobicContact CG-CD1 3.7Å; L176-L203 HydrophobicContact CB-CB 4.1Å; L176-L203 HydrophobicContact CD1-CB 4.33Å; L176-L203 HydrophobicContact CD1-CD1 4.49Å; L176-L203 HydrophobicContact CD1-CD2 4.09Å; L176-L203 HydrophobicContact CG-CB 4.37Å; P201-L203 HydrophobicContact CB-CD2 3.96Å; P201-L203 HydrophobicContact CG-CD2 3.8Å; L203-I205 HydrophobicContact CD1-CD1 3.86Å; L203-I205 HydrophobicContact CD1-CG1 3.44Å; L203-I205 VanDerWaalsContact CD1-CG1 3.44Å; L203-I205 HydrophobicContact CG-CD1 4.37Å; L203-I205 HydrophobicContact CG-CG1 4Å |
| 204 | L | 87.9 | Confident | 81 | Confident | 88 Ų | 88 | 73 Ų | 73 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128.6 | 167.5 | 178.9 | 64.4 | 0 | 0 | 0 | 109 | L173 Q174 T206 | L173-L204 WeakPolarHBondContact CA-O 3.45Å; Q174-L204 HydrophobicContact CB-CB 4.24Å; Q174-L204 PolarHBondContact N-O 2.82Å; Q174-L204 PolarHBondContact O-N 2.78Å; L204-T206 HydrophobicContact CD1-CG2 4.38Å; L204-T206 HydrophobicContact CD2-CG2 4.32Å; L204-T206 HydrophobicContact CG-CG2 4.15Å |
| 205 | I | 87.5 | Confident | 81.2 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.4 | 172.3 | -55.2 | 175.3 | 0 | 0 | 0 | 107.6 | H172 L173 L203 V207 | H172-I205 WeakPolarHBondContact O-CA 3.2Å; L173-I205 HydrophobicContact CG-CG1 4.42Å; L203-I205 HydrophobicContact CD1-CD1 3.86Å; L203-I205 HydrophobicContact CD1-CG1 3.44Å; L203-I205 VanDerWaalsContact CD1-CG1 3.44Å; L203-I205 HydrophobicContact CG-CD1 4.37Å; L203-I205 HydrophobicContact CG-CG1 4Å; I205-V207 HydrophobicContact CG2-CG2 4.19Å |
| 206 | T | 84.1 | Confident | 81.5 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.6 | 168.3 | 61.5 | 0 | 0 | 0 | 0 | 109 | A171 H172 L204 | A171-T206 CarbonylContact C-O 3.57Å; A171-T206 VanDerWaalsContact CA-O 3.27Å; A171-T206 WeakPolarHBondContact CA-O 2.95Å; H172-T206 PolarHBondContact N-O 3.47Å; H172-T206 PolarHBondContact O-N 3.35Å; L204-T206 HydrophobicContact CD1-CG2 4.38Å; L204-T206 HydrophobicContact CD2-CG2 4.32Å; L204-T206 HydrophobicContact CG-CG2 4.15Å |
| 207 | V | 83 | Confident | 81.7 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 53% | 0.527 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.5 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | F169 E170 A171 I205 | F169-V207 HydrophobicContact CB-CG1 3.84Å; F169-V207 HydrophobicContact CD1-CG1 3.74Å; F169-V207 HydrophobicContact CG-CG1 4.09Å; E170-V207 WeakPolarHBondContact O-CA 3.15Å; A171-V207 HydrophobicContact CB-CG2 4.1Å; I205-V207 HydrophobicContact CG2-CG2 4.19Å |
| 208 | S | 76.7 | Confident | 81.9 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152.6 | 177 | 63 | 0 | 0 | 0 | 0 | 110.2 | F169 E170 | F169-S208 CarbonylContact C-O 3.58Å; F169-S208 WeakPolarHBondContact CA-O 3.29Å; E170-S208 PolarHBondContact N-O 2.67Å; E170-S208 PolarHBondContact O-N 3.49Å; E170-S208 PolarHBondContact O-OG 3.04Å |
| 209 | N | 70.1 | Confident | 81.8 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.7 | 169.3 | -78.4 | -52.7 | 0 | 0 | 0 | 109.2 | F169 H211 | F169-N209 WeakPolarHBondContact CD1-OD1 3.4Å; F169-N209 WeakPolarHBondContact CE1-OD1 3.47Å; F169-N209 WeakPolarHBondContact CZ-OD1 3.07Å; N209-H211 PolarHBondContact O-N 3Å |
| 210 | V | 64.1 | Low | 82 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | trans | -83.9 | 92.3 | 169.6 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | N168 F169 E170 K212 | N168-V210 HydrophobicContact CB-CB 3.91Å; N168-V210 HydrophobicContact CB-CG2 4.5Å; N168-V210 PolarHBondContact O-N 2.89Å; F169-V210 VanDerWaalsContact C-CG2 3.48Å; E170-V210 HydrophobicContact CB-CG2 3.71Å; V210-K212 HydrophobicContact CG1-CG 4.41Å | ||
| 211 | H | 68.8 | Low | 81.8 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | trans | -71.2 | 141.3 | 162.5 | -62.9 | -71.5 | 0 | 0 | 0 | 108.6 | N209 P213 G233 D259 | N209-H211 PolarHBondContact O-N 3Å; H211-P213 VanDerWaalsContact O-CD 3.28Å; H211-P213 WeakPolarHBondContact O-CD 3.48Å; H211-G233 PolarHBondContact O-N 2.76Å; H211-D259 IonicContact CE1-OD2 3.8Å; H211-D259 IonicContact CG-OD2 3.61Å; H211-D259 IonicContact ND1-OD2 2.76Å; H211-D259 PolarHBondContact ND1-OD2 2.81Å | ||
| 212 | K | 73.2 | Confident | 81.4 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | trans | -115.2 | 64.1 | 170.1 | -67.5 | -170.7 | -179.5 | -173.2 | 0 | 110.1 | V210 S231 D259 H260 | V210-K212 HydrophobicContact CG1-CG 4.41Å; K212-S231 CarbonylContact C-O 3.5Å; K212-S231 VanDerWaalsContact CA-O 3.26Å; K212-S231 WeakPolarHBondContact CA-O 3.18Å; K212-D259 PolarHBondContact N-OD1 2.88Å; K212-H260 HydrophobicContact CB-CB 4.31Å; K212-H260 PolarHBondContact O-N 2.89Å; K212-H260 VanDerWaalsContact O-N 3.14Å | ||
| 213 | P | 76.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.9 | -175.2 | 30.2 | -36.2 | 0 | 0 | 0 | 111.1 | H211 S231 P236 W238 V257 Y258 L270 | H211-P213 VanDerWaalsContact O-CD 3.28Å; H211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-S231 VanDerWaalsContact CD-O 3.29Å; P213-S231 WeakPolarHBondContact CD-O 3.45Å; P213-S231 PolarHBondContact O-N 2.8Å; P213-P236 HydrophobicContact CB-CG 4.39Å; P213-P236 HydrophobicContact CG-CB 3.55Å; P213-P236 HydrophobicContact CG-CG 3.46Å; P213-P236 VanDerWaalsContact CG-CG 3.46Å; P213-W238 HydrophobicContact CB-CH2 4.4Å; P213-W238 HydrophobicContact CB-CZ2 3.86Å; P213-W238 HydrophobicContact CG-CZ2 4.09Å; P213-W238 WeakPolarHBondContact O-CZ2 3.35Å; P213-W238 PolarHBondContact O-NE1 3.24Å; P213-W238 VanDerWaalsContact O-NE1 3.11Å; P213-V257 HydrophobicContact CB-CG1 4.35Å; P213-Y258 CarbonylContact C-O 3.6Å; P213-Y258 WeakPolarHBondContact CA-O 3.24Å; P213-L270 HydrophobicContact CB-CD1 3.88Å |
| 214 | Y | 82 | Confident | 81.2 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154 | 166.9 | 66.6 | -87 | 0 | 0 | 0 | 108.8 | V216 V227 T228 Q230 Y258 H260 P267 | Y214-V216 HydrophobicContact CD2-CG2 4.2Å; Y214-V216 HydrophobicContact CE2-CG2 3.81Å; Y214-V227 HydrophobicContact CD2-CG1 3.58Å; Y214-V227 HydrophobicContact CE2-CG1 4.08Å; Y214-V227 HydrophobicContact CG-CG1 4.49Å; Y214-T228 WeakPolarHBondContact CA-OG1 3.34Å; Y214-Q230 HydrophobicContact CD1-CG 4.42Å; Y214-Y258 HydrophobicContact CE2-CD2 4.07Å; Y214-Y258 HydrophobicContact CE2-CG 4.34Å; Y214-Y258 PolarHBondContact N-O 3.43Å; Y214-Y258 PolarHBondContact O-N 3Å; Y214-H260 HydrophobicContact CD1-CB 4.23Å; Y214-H260 HydrophobicContact CE1-CB 4.09Å; Y214-P267 HydrophobicContact CE1-CB 4.37Å; Y214-P267 WeakPolarHBondContact OH-CB 3.19Å; Y214-P267 WeakPolarHBondContact OH-CG 3.44Å |
| 215 | A | 83.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V227 T228 W238 E256 V257 | A215-V227 CarbonylContact O-C 3.55Å; A215-V227 WeakPolarHBondContact O-CA 3.43Å; A215-T228 HydrophobicContact CB-CG2 3.89Å; A215-T228 PolarHBondContact N-OG1 2.87Å; A215-T228 PolarHBondContact O-N 3.36Å; A215-W238 HydrophobicContact CB-CH2 4.44Å; A215-E256 CarbonylContact C-O 3.53Å; A215-E256 VanDerWaalsContact CA-O 3.24Å; A215-E256 WeakPolarHBondContact CA-O 3.16Å; A215-V257 HydrophobicContact CB-CG2 4.32Å |
| 216 | V | 88.3 | Confident | 80.9 | Confident | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.2 | 167.3 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | Y214 H226 V227 F255 E256 Y258 | Y214-V216 HydrophobicContact CD2-CG2 4.2Å; Y214-V216 HydrophobicContact CE2-CG2 3.81Å; V216-H226 CarbonylContact C-O 3.55Å; V216-H226 WeakPolarHBondContact CA-O 3.32Å; V216-V227 HydrophobicContact CG1-CG2 4.4Å; V216-V227 HydrophobicContact CG2-CG1 4.31Å; V216-V227 HydrophobicContact CG2-CG2 4.18Å; V216-F255 CarbonylContact O-C 3.41Å; V216-F255 WeakPolarHBondContact O-CA 3.08Å; V216-E256 HydrophobicContact CB-CB 4.49Å; V216-E256 PolarHBondContact N-O 3.33Å; V216-E256 PolarHBondContact O-N 3.39Å; V216-Y258 HydrophobicContact CG2-CD2 4.02Å; V216-Y258 HydrophobicContact CG2-CE2 4.06Å |
| 217 | V | 85.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.3 | -178.1 | -167.1 | 0 | 0 | 0 | 0 | 107.9 | N225 H226 F242 F244 L253 L254 F255 F362 | V217-N225 CarbonylContact O-C 3.58Å; V217-N225 VanDerWaalsContact O-CA 3.22Å; V217-N225 WeakPolarHBondContact O-CA 3.38Å; V217-H226 PolarHBondContact N-O 3.13Å; V217-H226 PolarHBondContact O-N 2.89Å; V217-F242 HydrophobicContact CG2-CD2 4.05Å; V217-F242 HydrophobicContact CG2-CE2 4.06Å; V217-F244 HydrophobicContact CB-CE2 4.43Å; V217-F244 HydrophobicContact CB-CZ 3.9Å; V217-F244 HydrophobicContact CG1-CE2 3.73Å; V217-F244 HydrophobicContact CG1-CZ 3.46Å; V217-F244 VanDerWaalsContact CG1-CZ 3.46Å; V217-L253 HydrophobicContact CG1-CD1 4.02Å; V217-L253 HydrophobicContact CG1-CD2 4.41Å; V217-L253 HydrophobicContact CG1-CG 4.22Å; V217-L254 CarbonylContact C-O 3.59Å; V217-L254 WeakPolarHBondContact CA-O 3.37Å; V217-F255 HydrophobicContact CB-CD1 4.34Å; V217-F255 HydrophobicContact CG1-CD1 3.66Å; V217-F255 HydrophobicContact CG1-CE1 3.51Å; V217-F255 HydrophobicContact CG2-CD1 4.09Å; V217-F255 HydrophobicContact CG2-CE1 4.47Å; V217-F362 HydrophobicContact CB-CZ 4.47Å; V217-F362 HydrophobicContact CG1-CZ 4.33Å; V217-F362 HydrophobicContact CG2-CE1 4.23Å; V217-F362 HydrophobicContact CG2-CE2 3.82Å; V217-F362 HydrophobicContact CG2-CZ 3.34Å |
| 218 | E | 88.6 | Confident | 80.6 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.8 | -174.7 | -174.4 | 171.6 | 171.6 | 0 | 0 | 111.3 | Q224 N225 L253 L254 | E218-Q224 CarbonylContact C-O 3.57Å; E218-Q224 WeakPolarHBondContact CA-O 3.46Å; E218-N225 HydrophobicContact CB-CB 4.35Å; E218-N225 HydrophobicContact CG-CB 4.33Å; E218-L253 CarbonylContact O-C 3.01Å; E218-L253 WeakPolarHBondContact O-CA 3.31Å; E218-L253 WeakPolarHBondContact O-CD1 3.47Å; E218-L254 HydrophobicContact CB-CB 4.45Å; E218-L254 PolarHBondContact N-O 3.21Å; E218-L254 PolarHBondContact O-N 3.49Å |
| 219 | L | 83.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 142 | 167.1 | -175.7 | 76.4 | 0 | 0 | 0 | 108.6 | S223 Q224 F244 L246 L253 I277 | L219-S223 VanDerWaalsContact O-CA 3.32Å; L219-S223 WeakPolarHBondContact O-CA 3.4Å; L219-Q224 HydrophobicContact CB-CB 4.26Å; L219-Q224 PolarHBondContact N-O 3.29Å; L219-Q224 PolarHBondContact O-N 2.8Å; L219-F244 HydrophobicContact CB-CD1 3.69Å; L219-F244 HydrophobicContact CB-CE1 3.93Å; L219-F244 HydrophobicContact CD2-CD1 4.33Å; L219-L246 HydrophobicContact CD1-CD2 3.6Å; L219-L246 HydrophobicContact CD2-CD2 3.78Å; L219-L246 HydrophobicContact CG-CD2 4.37Å; L219-L253 HydrophobicContact CB-CD1 3.97Å; L219-L253 HydrophobicContact CD1-CD1 4.05Å; L219-I277 HydrophobicContact CD1-CD1 3.74Å; L219-I277 HydrophobicContact CD1-CG1 4.22Å |
| 220 | D | 88.6 | Confident | 80.6 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -60.5 | 178.9 | 62 | -14.1 | 0 | 0 | 0 | 114.1 | S223 S250 R251 E252 | D220-S223 WeakPolarHBondContact O-CA 3.4Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.35Å; D220-S223 VanDerWaalsContact O-N 3.09Å; D220-S250 WeakPolarHBondContact OD1-CA 3.44Å; D220-R251 PolarHBondContact OD1-N 3Å; D220-R251 WeakPolarHBondContact OD2-CA 3.39Å; D220-R251 VanDerWaalsContact OD2-CB 3.23Å; D220-R251 WeakPolarHBondContact OD2-CB 3.16Å; D220-R251 PolarHBondContact OD2-N 2.86Å; D220-E252 PolarHBondContact N-O 2.9Å; D220-E252 PolarHBondContact OD1-N 3.42Å; D220-E252 PolarHBondContact OD2-N 2.93Å; D220-E252 VanDerWaalsContact OD2-N 3.15Å |
| 221 | V | 81.2 | Confident | 80.5 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.4 | 123.1 | -168.9 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | E249 S250 | V221-E249 HydrophobicContact CB-CB 4.27Å; V221-E249 HydrophobicContact CG1-CB 3.67Å; V221-S250 VanDerWaalsContact O-CA 3.25Å; V221-S250 WeakPolarHBondContact O-CA 3.47Å; V221-S250 VanDerWaalsContact O-CB 3.29Å; V221-S250 WeakPolarHBondContact O-CB 3.47Å; V221-S250 PolarHBondContact O-N 3.38Å; V221-S250 PolarHBondContact O-OG 3.23Å |
| 222 | P | 80.5 | Confident | 80.2 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -64.7 | 138.3 | -15.1 | 28 | -31.2 | 0 | 0 | 0 | 109.1 | Q224 T247 | P222-Q224 WeakPolarHBondContact O-CG 3.41Å; P222-Q224 PolarHBondContact O-N 2.83Å; P222-Q224 VanDerWaalsContact O-N 3.11Å; P222-Q224 PolarHBondContact O-NE2 3.48Å; P222-Q224 VanDerWaalsContact O-NE2 3.07Å; P222-T247 HydrophobicContact CG-CG2 4.27Å |
| 223 | S | 86.6 | Confident | 79.2 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 120.5 | -177.7 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | L219 D220 | L219-S223 VanDerWaalsContact O-CA 3.32Å; L219-S223 WeakPolarHBondContact O-CA 3.4Å; D220-S223 WeakPolarHBondContact O-CA 3.4Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.35Å; D220-S223 VanDerWaalsContact O-N 3.09Å |
| 224 | Q | 84.3 | Confident | 78 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128 | -179.7 | -77.9 | 163.7 | 88.6 | 0 | 0 | 107 | E218 L219 P222 F244 Q245 | E218-Q224 CarbonylContact C-O 3.57Å; E218-Q224 WeakPolarHBondContact CA-O 3.46Å; L219-Q224 HydrophobicContact CB-CB 4.26Å; L219-Q224 PolarHBondContact N-O 3.29Å; L219-Q224 PolarHBondContact O-N 2.8Å; P222-Q224 WeakPolarHBondContact O-CG 3.41Å; P222-Q224 PolarHBondContact O-N 2.83Å; P222-Q224 VanDerWaalsContact O-N 3.11Å; P222-Q224 PolarHBondContact O-NE2 3.48Å; P222-Q224 VanDerWaalsContact O-NE2 3.07Å; Q224-F244 HydrophobicContact CB-CD1 3.91Å; Q224-F244 HydrophobicContact CB-CE1 4.09Å; Q224-Q245 PolarHBondContact NE2-O 2.68Å |
| 225 | N | 87.4 | Confident | 76.7 | Confident | 103 Ų | 103 | 47.3 Ų | 47.3 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.1 | 174.6 | 66.2 | -24.5 | 0 | 0 | 0 | 111.4 | V217 E218 | V217-N225 CarbonylContact O-C 3.58Å; V217-N225 VanDerWaalsContact O-CA 3.22Å; V217-N225 WeakPolarHBondContact O-CA 3.38Å; E218-N225 HydrophobicContact CB-CB 4.35Å; E218-N225 HydrophobicContact CG-CB 4.33Å |
| 226 | H | 81.3 | Confident | 75.7 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.3 | 174.4 | -67.7 | -77.7 | 0 | 0 | 0 | 109.6 | V216 V217 F242 F244 | V216-H226 CarbonylContact C-O 3.55Å; V216-H226 WeakPolarHBondContact CA-O 3.32Å; V217-H226 PolarHBondContact N-O 3.13Å; V217-H226 PolarHBondContact O-N 2.89Å; H226-F242 HydrophobicContact CB-CB 4.01Å; H226-F242 HydrophobicContact CB-CD1 3.37Å; H226-F242 HydrophobicContact CB-CD2 3.75Å; H226-F242 HydrophobicContact CB-CE1 3.69Å; H226-F242 HydrophobicContact CB-CE2 4.02Å; H226-F242 HydrophobicContact CB-CG 3.4Å; H226-F242 HydrophobicContact CB-CZ 4Å; H226-F242 AromaticContact CG-CD1 3.55Å; H226-F242 AromaticContact CG-CG 3.66Å; H226-F242 AromaticContact ND1-CD1 3.7Å; H226-F244 AromaticContact CD2-CE1 3.62Å; H226-F244 AromaticContact CD2-CZ 3.51Å |
| 227 | V | 84.5 | Confident | 74.4 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 47% | 0.473 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.8 | -178.8 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | Y214 A215 V216 F242 | Y214-V227 HydrophobicContact CD2-CG1 3.58Å; Y214-V227 HydrophobicContact CE2-CG1 4.08Å; Y214-V227 HydrophobicContact CG-CG1 4.49Å; A215-V227 CarbonylContact O-C 3.55Å; A215-V227 WeakPolarHBondContact O-CA 3.43Å; V216-V227 HydrophobicContact CG1-CG2 4.4Å; V216-V227 HydrophobicContact CG2-CG1 4.31Å; V216-V227 HydrophobicContact CG2-CG2 4.18Å; V227-F242 VanDerWaalsContact C-CZ 3.49Å; V227-F242 VanDerWaalsContact O-CZ 3.31Å; V227-F242 WeakPolarHBondContact O-CZ 3.5Å |
| 228 | T | 76.5 | Confident | 73.5 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 162 | 174.8 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | Y214 A215 W238 F242 F362 | Y214-T228 WeakPolarHBondContact CA-OG1 3.34Å; A215-T228 HydrophobicContact CB-CG2 3.89Å; A215-T228 PolarHBondContact N-OG1 2.87Å; A215-T228 PolarHBondContact O-N 3.36Å; T228-W238 HydrophobicContact CG2-CB 4.12Å; T228-W238 HydrophobicContact CG2-CD2 4.43Å; T228-W238 HydrophobicContact CG2-CG 4.12Å; T228-W238 PolarHBondContact OG1-NE1 2.95Å; T228-F242 HydrophobicContact CG2-CE2 3.82Å; T228-F242 HydrophobicContact CG2-CZ 4.12Å; T228-F362 HydrophobicContact CG2-CD2 3.99Å; T228-F362 HydrophobicContact CG2-CE2 4.25Å |
| 229 | A | 71.8 | Confident | 72.4 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 163 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W238 S240 | A229-W238 PolarHBondContact O-NE1 2.71Å; A229-S240 PolarHBondContact N-OG 3.15Å |
| 230 | Q | 74.7 | Confident | 71.7 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 138.5 | 165.9 | -67.2 | -178.1 | -4.9 | 0 | 0 | 109.4 | Y214 H260 | Y214-Q230 HydrophobicContact CD1-CG 4.42Å; Q230-H260 VanDerWaalsContact NE2-CB 3.26Å; Q230-H260 PolarHBondContact NE2-CD2 3.37Å; Q230-H260 VanDerWaalsContact NE2-CG 3.31Å |
| 231 | S | 63 | Low | 70.6 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | trans | -112.1 | 161.5 | 171.1 | -168.1 | 0 | 0 | 0 | 0 | 109.2 | K212 P213 P236 F237 | K212-S231 CarbonylContact C-O 3.5Å; K212-S231 VanDerWaalsContact CA-O 3.26Å; K212-S231 WeakPolarHBondContact CA-O 3.18Å; P213-S231 VanDerWaalsContact CD-O 3.29Å; P213-S231 WeakPolarHBondContact CD-O 3.45Å; P213-S231 PolarHBondContact O-N 2.8Å; S231-P236 VanDerWaalsContact CB-CB 3.45Å; S231-P236 WeakPolarHBondContact OG-CA 3.44Å; S231-P236 WeakPolarHBondContact OG-CB 3.29Å; S231-F237 PolarHBondContact OG-N 2.87Å; S231-F237 PolarHBondContact OG-O 2.84Å | ||
| 232 | S | 62.5 | Low | 70.1 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | trans | -114.8 | 147 | 179 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | R153 | R153-S232 PolarHBondContact NH2-OG 3.44Å; R153-S232 VanDerWaalsContact NH2-OG 3.15Å | ||
| 233 | G | 52.4 | Low | 69.5 | Low | 21 Ų | 21 | 59.1 Ų | 59.1 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 101.4 | -177.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H211 | H211-G233 PolarHBondContact O-N 2.76Š|
| 234 | S | 51.4 | Low | 68.8 | Low | 85 Ų | 85 | 55.2 Ų | 55.2 | 59% | 0.594 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -84.9 | -14 | -178.1 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 235 | D | 53.9 | Low | 68.1 | Low | 80 Ų | 80 | 57.1 Ų | 57.1 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -125.2 | 65.7 | 175.8 | -167.5 | 19.4 | 0 | 0 | 0 | 109.9 | F237 L364 R365 | D235-F237 PolarHBondContact O-N 2.77Å; D235-L364 WeakPolarHBondContact CA-O 3.45Å; D235-R365 VanDerWaalsContact OD1-CG 3.24Å; D235-R365 WeakPolarHBondContact OD1-CG 3.05Å |
| 236 | P | 63.7 | Low | 67.4 | Low | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | trans | -62.2 | 132.3 | -178.7 | 28.6 | -39.8 | 0 | 0 | 0 | 111.8 | P213 S231 W238 L364 | P213-P236 HydrophobicContact CB-CG 4.39Å; P213-P236 HydrophobicContact CG-CB 3.55Å; P213-P236 HydrophobicContact CG-CG 3.46Å; P213-P236 VanDerWaalsContact CG-CG 3.46Å; S231-P236 VanDerWaalsContact CB-CB 3.45Å; S231-P236 WeakPolarHBondContact OG-CA 3.44Å; S231-P236 WeakPolarHBondContact OG-CB 3.29Å; P236-W238 HydrophobicContact CB-CH2 4.28Å; P236-W238 HydrophobicContact CB-CZ2 4Å; P236-W238 HydrophobicContact CG-CH2 4.04Å; P236-W238 HydrophobicContact CG-CZ2 4.17Å; P236-L364 VanDerWaalsContact CD-O 3.25Å; P236-L364 WeakPolarHBondContact CD-O 3.4Å; P236-L364 HydrophobicContact CG-CB 3.99Å; P236-L364 HydrophobicContact CG-CD2 3.54Å; P236-L364 HydrophobicContact CG-CG 4.29Å; P236-L364 PolarHBondContact O-N 3.38Å | ||
| 237 | F | 60.5 | Low | 66.8 | Low | 126 Ų | 126 | 52.7 Ų | 52.7 | 55% | 0.553 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.8 | 168.5 | -179.7 | -105.2 | 0 | 0 | 0 | 109.1 | S231 D235 D239 F362 | S231-F237 PolarHBondContact OG-N 2.87Å; S231-F237 PolarHBondContact OG-O 2.84Å; D235-F237 PolarHBondContact O-N 2.77Å; F237-D239 HydrophobicContact CE1-CB 3.96Å; F237-F362 WeakPolarHBondContact CD2-O 3.49Å |
| 238 | W | 67.5 | Low | 66.3 | Low | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.1 | 173.8 | -55.4 | -80.9 | 0 | 0 | 0 | 108.7 | P213 A215 T228 A229 P236 S240 V257 F362 L364 | P213-W238 HydrophobicContact CB-CH2 4.4Å; P213-W238 HydrophobicContact CB-CZ2 3.86Å; P213-W238 HydrophobicContact CG-CZ2 4.09Å; P213-W238 WeakPolarHBondContact O-CZ2 3.35Å; P213-W238 PolarHBondContact O-NE1 3.24Å; P213-W238 VanDerWaalsContact O-NE1 3.11Å; A215-W238 HydrophobicContact CB-CH2 4.44Å; T228-W238 HydrophobicContact CG2-CB 4.12Å; T228-W238 HydrophobicContact CG2-CD2 4.43Å; T228-W238 HydrophobicContact CG2-CG 4.12Å; T228-W238 PolarHBondContact OG1-NE1 2.95Å; A229-W238 PolarHBondContact O-NE1 2.71Å; P236-W238 HydrophobicContact CB-CH2 4.28Å; P236-W238 HydrophobicContact CB-CZ2 4Å; P236-W238 HydrophobicContact CG-CH2 4.04Å; P236-W238 HydrophobicContact CG-CZ2 4.17Å; W238-S240 PolarHBondContact O-N 3.23Å; W238-V257 HydrophobicContact CH2-CG1 4.13Å; W238-F362 HydrophobicContact CB-CB 4.41Å; W238-F362 HydrophobicContact CE3-CB 3.62Å; W238-F362 HydrophobicContact CZ3-CB 4.27Å; W238-F362 PolarHBondContact N-O 2.96Å; W238-L364 HydrophobicContact CH2-CB 3.91Å; W238-L364 HydrophobicContact CH2-CD2 3.88Å; W238-L364 HydrophobicContact CH2-CG 4.4Å; W238-L364 HydrophobicContact CZ3-CB 3.55Å; W238-L364 HydrophobicContact CZ3-CD2 4.41Å; W238-L364 HydrophobicContact CZ3-CG 4.46Å |
| 239 | D | 65.2 | Low | 66.5 | Low | 123 Ų | 123 | 67 Ų | 67 | 66% | 0.658 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 14.5 | 173.4 | 66.1 | -9.5 | 0 | 0 | 0 | 112.7 | F237 | F237-D239 HydrophobicContact CE1-CB 3.96Å |
| 240 | S | 67.5 | Low | 66.9 | Low | 18 Ų | 18 | 65.6 Ų | 65.6 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.5 | -179.5 | -55.4 | 0 | 0 | 0 | 0 | 111 | A229 W238 | A229-S240 PolarHBondContact N-OG 3.15Å; W238-S240 PolarHBondContact O-N 3.23Å |
| 241 | Q | 66 | Low | 67.4 | Low | 111 Ų | 111 | 70.8 Ų | 70.8 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.2 | 178 | -64.2 | -179.7 | -45.9 | 0 | 0 | 109.9 | Y361 | Q241-Y361 HydrophobicContact CG-CE1 4.36Å; Q241-Y361 VanDerWaalsContact NE2-CZ 3.3Å; Q241-Y361 PolarHBondContact NE2-OH 3.27Å |
| 242 | F | 72.1 | Confident | 68.6 | Low | 23 Ų | 23 | 74.1 Ų | 74.1 | 10% | 0.101 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.6 | 176.8 | -52.6 | -54.9 | 0 | 0 | 0 | 111.1 | V217 H226 V227 T228 F244 F359 F362 | V217-F242 HydrophobicContact CG2-CD2 4.05Å; V217-F242 HydrophobicContact CG2-CE2 4.06Å; H226-F242 HydrophobicContact CB-CB 4.01Å; H226-F242 HydrophobicContact CB-CD1 3.37Å; H226-F242 HydrophobicContact CB-CD2 3.75Å; H226-F242 HydrophobicContact CB-CE1 3.69Å; H226-F242 HydrophobicContact CB-CE2 4.02Å; H226-F242 HydrophobicContact CB-CG 3.4Å; H226-F242 HydrophobicContact CB-CZ 4Å; H226-F242 AromaticContact CG-CD1 3.55Å; H226-F242 AromaticContact CG-CG 3.66Å; H226-F242 AromaticContact ND1-CD1 3.7Å; V227-F242 VanDerWaalsContact C-CZ 3.49Å; V227-F242 VanDerWaalsContact O-CZ 3.31Å; V227-F242 WeakPolarHBondContact O-CZ 3.5Å; T228-F242 HydrophobicContact CG2-CE2 3.82Å; T228-F242 HydrophobicContact CG2-CZ 4.12Å; F242-F244 HydrophobicContact CB-CE2 3.93Å; F242-F359 WeakPolarHBondContact O-CA 3.49Å; F242-F362 HydrophobicContact CD2-CE2 4.08Å; F242-F362 HydrophobicContact CE2-CE2 4.04Å |
| 243 | M | 67.6 | Low | 69.7 | Low | 87 Ų | 87 | 71.4 Ų | 71.4 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.6 | 177.6 | -177.5 | 178.4 | 67.2 | 0 | 0 | 108.5 | L357 F359 | M243-L357 HydrophobicContact CG-CB 4.27Å; M243-L357 HydrophobicContact CG-CD1 4.5Å; M243-L357 HydrophobicContact CG-CD2 3.68Å; M243-L357 HydrophobicContact CG-CG 4.35Å; M243-L357 HydrophobicContact SD-CD1 3.72Å; M243-L357 HydrophobicContact SD-CD2 3.7Å; M243-L357 HydrophobicContact SD-CG 4.17Å; M243-F359 HydrophobicContact CB-CE1 4.37Å |
| 244 | F | 71.4 | Confident | 71.5 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.9 | 175.8 | -70.3 | -85.5 | 0 | 0 | 0 | 111 | V217 L219 Q224 H226 F242 L246 L253 V360 | V217-F244 HydrophobicContact CB-CE2 4.43Å; V217-F244 HydrophobicContact CB-CZ 3.9Å; V217-F244 HydrophobicContact CG1-CE2 3.73Å; V217-F244 HydrophobicContact CG1-CZ 3.46Å; V217-F244 VanDerWaalsContact CG1-CZ 3.46Å; L219-F244 HydrophobicContact CB-CD1 3.69Å; L219-F244 HydrophobicContact CB-CE1 3.93Å; L219-F244 HydrophobicContact CD2-CD1 4.33Å; Q224-F244 HydrophobicContact CB-CD1 3.91Å; Q224-F244 HydrophobicContact CB-CE1 4.09Å; H226-F244 AromaticContact CD2-CE1 3.62Å; H226-F244 AromaticContact CD2-CZ 3.51Å; F242-F244 HydrophobicContact CB-CE2 3.93Å; F244-L246 HydrophobicContact CB-CD2 4.39Å; F244-L246 PolarHBondContact O-N 2.84Å; F244-L253 HydrophobicContact CD1-CD1 4.3Å; F244-L253 HydrophobicContact CD2-CD1 4.43Å; F244-L253 HydrophobicContact CE1-CD1 4.01Å; F244-L253 HydrophobicContact CE2-CD1 4.15Å; F244-L253 HydrophobicContact CG-CD1 4.49Å; F244-L253 HydrophobicContact CZ-CD1 3.93Å; F244-V360 HydrophobicContact CD2-CG2 4.34Å; F244-V360 HydrophobicContact CE2-CG2 4.33Å |
| 245 | Q | 70.1 | Confident | 73.1 | Confident | 76 Ų | 76 | 68 Ų | 68 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 104.5 | 168.8 | -63.5 | -173.1 | 15.7 | 0 | 0 | 109.1 | Q224 L357 | Q224-Q245 PolarHBondContact NE2-O 2.68Å; Q245-L357 HydrophobicContact CG-CD2 4.42Å |
| 246 | L | 71.1 | Confident | 74.8 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | trans | -84.9 | 141.3 | 176.3 | -57.9 | -179.3 | 0 | 0 | 0 | 111 | L219 F244 S250 I277 F356 T358 | L219-L246 HydrophobicContact CD1-CD2 3.6Å; L219-L246 HydrophobicContact CD2-CD2 3.78Å; L219-L246 HydrophobicContact CG-CD2 4.37Å; F244-L246 HydrophobicContact CB-CD2 4.39Å; F244-L246 PolarHBondContact O-N 2.84Å; L246-S250 WeakPolarHBondContact CA-OG 3.09Å; L246-I277 HydrophobicContact CD1-CG2 3.92Å; L246-I277 HydrophobicContact CD2-CD1 3.9Å; L246-I277 HydrophobicContact CD2-CG1 4.4Å; L246-F356 HydrophobicContact CB-CB 4.45Å; L246-F356 PolarHBondContact N-O 3.08Å; L246-T358 WeakPolarHBondContact CD1-OG1 3.37Å | ||
| 247 | T | 69.7 | Low | 75.8 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | trans | -118.1 | 176.5 | 170.5 | 70.2 | 0 | 0 | 0 | 0 | 109.6 | P222 E249 S250 | P222-T247 HydrophobicContact CG-CG2 4.27Å; T247-E249 PolarHBondContact O-N 3.34Å; T247-E249 PolarHBondContact OG1-N 3.34Å; T247-S250 PolarHBondContact N-OG 3.19Å; T247-S250 WeakPolarHBondContact O-CB 3.43Å; T247-S250 PolarHBondContact O-N 3.07Å; T247-S250 PolarHBondContact O-OG 3.32Å; T247-S250 PolarHBondContact OG1-N 3.3Å; T247-S250 PolarHBondContact OG1-OG 3.43Å | ||
| 248 | R | 74.7 | Confident | 77 | Confident | 259 Ų | 259 | 61.5 Ų | 61.5 | 98% | 0.977 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.8 | 172.6 | -64.2 | -177.4 | -177.3 | 179.6 | 0.9 | 112.8 | ||
| 249 | E | 79.8 | Confident | 77.5 | Confident | 128 Ų | 128 | 61.9 Ų | 61.9 | 60% | 0.598 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11.3 | 179.4 | -62.9 | 176.5 | -176.2 | 0 | 0 | 112.4 | V221 T247 R251 | V221-E249 HydrophobicContact CB-CB 4.27Å; V221-E249 HydrophobicContact CG1-CB 3.67Å; T247-E249 PolarHBondContact O-N 3.34Å; T247-E249 PolarHBondContact OG1-N 3.34Å; E249-R251 WeakPolarHBondContact O-CG 3.43Å; E249-R251 PolarHBondContact O-N 3.41Å |
| 250 | S | 81.2 | Confident | 77.7 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -67.4 | 120.1 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | D220 V221 L246 T247 | D220-S250 WeakPolarHBondContact OD1-CA 3.44Å; V221-S250 VanDerWaalsContact O-CA 3.25Å; V221-S250 WeakPolarHBondContact O-CA 3.47Å; V221-S250 VanDerWaalsContact O-CB 3.29Å; V221-S250 WeakPolarHBondContact O-CB 3.47Å; V221-S250 PolarHBondContact O-N 3.38Å; V221-S250 PolarHBondContact O-OG 3.23Å; L246-S250 WeakPolarHBondContact CA-OG 3.09Å; T247-S250 PolarHBondContact N-OG 3.19Å; T247-S250 WeakPolarHBondContact O-CB 3.43Å; T247-S250 PolarHBondContact O-N 3.07Å; T247-S250 PolarHBondContact O-OG 3.32Å; T247-S250 PolarHBondContact OG1-N 3.3Å; T247-S250 PolarHBondContact OG1-OG 3.43Å | ||
| 251 | R | 84.7 | Confident | 77.4 | Confident | 182 Ų | 182 | 60.3 Ų | 60.3 | 69% | 0.687 | 27% | 0.272 | S | S | * | . | trans | -117.2 | -36.7 | -177.1 | -56.3 | -179.3 | 179.3 | -176.1 | -0.6 | 113 | D220 E249 S276 I277 | D220-R251 PolarHBondContact OD1-N 3Å; D220-R251 WeakPolarHBondContact OD2-CA 3.39Å; D220-R251 VanDerWaalsContact OD2-CB 3.23Å; D220-R251 WeakPolarHBondContact OD2-CB 3.16Å; D220-R251 PolarHBondContact OD2-N 2.86Å; E249-R251 WeakPolarHBondContact O-CG 3.43Å; E249-R251 PolarHBondContact O-N 3.41Å; R251-S276 CarbonylContact O-C 3.57Å; R251-S276 WeakPolarHBondContact O-CA 3.32Å; R251-I277 PolarHBondContact O-N 2.88Å | ||
| 252 | E | 87 | Confident | 76.9 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.9 | -169.7 | -61.6 | -176.6 | 152.9 | 0 | 0 | 112.6 | D220 L274 I275 | D220-E252 PolarHBondContact N-O 2.9Å; D220-E252 PolarHBondContact OD1-N 3.42Å; D220-E252 PolarHBondContact OD2-N 2.93Å; D220-E252 VanDerWaalsContact OD2-N 3.15Å; E252-L274 HydrophobicContact CB-CD1 4.05Å; E252-I275 CarbonylContact C-O 3.52Å; E252-I275 WeakPolarHBondContact CA-O 3.24Å |
| 253 | L | 86.2 | Confident | 76.1 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.4 | 172.4 | -168.4 | 68.3 | 0 | 0 | 0 | 108.4 | V217 E218 L219 F244 F255 I275 I277 L280 V360 | V217-L253 HydrophobicContact CG1-CD1 4.02Å; V217-L253 HydrophobicContact CG1-CD2 4.41Å; V217-L253 HydrophobicContact CG1-CG 4.22Å; E218-L253 CarbonylContact O-C 3.01Å; E218-L253 WeakPolarHBondContact O-CA 3.31Å; E218-L253 WeakPolarHBondContact O-CD1 3.47Å; L219-L253 HydrophobicContact CB-CD1 3.97Å; L219-L253 HydrophobicContact CD1-CD1 4.05Å; F244-L253 HydrophobicContact CD1-CD1 4.3Å; F244-L253 HydrophobicContact CD2-CD1 4.43Å; F244-L253 HydrophobicContact CE1-CD1 4.01Å; F244-L253 HydrophobicContact CE2-CD1 4.15Å; F244-L253 HydrophobicContact CG-CD1 4.49Å; F244-L253 HydrophobicContact CZ-CD1 3.93Å; L253-F255 HydrophobicContact CD2-CE1 3.98Å; L253-F255 HydrophobicContact CD2-CE2 4.41Å; L253-F255 HydrophobicContact CD2-CZ 3.57Å; L253-F255 HydrophobicContact CG-CE1 4.31Å; L253-F255 HydrophobicContact CG-CZ 4.04Å; L253-I275 HydrophobicContact CB-CG2 4.14Å; L253-I275 PolarHBondContact N-O 3.49Å; L253-I275 PolarHBondContact O-N 3.35Å; L253-I277 HydrophobicContact CB-CD1 4.08Å; L253-L280 HydrophobicContact CD2-CD2 4.41Å; L253-V360 HydrophobicContact CD2-CG2 4.39Å |
| 254 | L | 89.9 | Confident | 75.3 | Confident | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136 | -178.9 | 175.7 | 64.4 | 0 | 0 | 0 | 110 | V217 E218 E256 L272 L274 | V217-L254 CarbonylContact C-O 3.59Å; V217-L254 WeakPolarHBondContact CA-O 3.37Å; E218-L254 HydrophobicContact CB-CB 4.45Å; E218-L254 PolarHBondContact N-O 3.21Å; E218-L254 PolarHBondContact O-N 3.49Å; L254-E256 HydrophobicContact CD1-CG 4.15Å; L254-E256 HydrophobicContact CD2-CG 3.92Å; L254-E256 HydrophobicContact CG-CG 3.89Å; L254-L272 HydrophobicContact CD1-CB 4.13Å; L254-L272 HydrophobicContact CD1-CD1 4.1Å; L254-L272 HydrophobicContact CD1-CD2 4.47Å; L254-L272 HydrophobicContact CD1-CG 4.47Å; L254-L274 HydrophobicContact CB-CD1 3.77Å; L254-L274 HydrophobicContact CD1-CB 4.37Å; L254-L274 HydrophobicContact CD1-CD1 4Å; L254-L274 HydrophobicContact CG-CD1 4.45Å |
| 255 | F | 86.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.7 | 170.6 | -52.4 | -75.4 | 0 | 0 | 0 | 108.4 | V216 V217 L253 L272 A273 I275 F290 I306 V308 V360 F362 | V216-F255 CarbonylContact O-C 3.41Å; V216-F255 WeakPolarHBondContact O-CA 3.08Å; V217-F255 HydrophobicContact CB-CD1 4.34Å; V217-F255 HydrophobicContact CG1-CD1 3.66Å; V217-F255 HydrophobicContact CG1-CE1 3.51Å; V217-F255 HydrophobicContact CG2-CD1 4.09Å; V217-F255 HydrophobicContact CG2-CE1 4.47Å; L253-F255 HydrophobicContact CD2-CE1 3.98Å; L253-F255 HydrophobicContact CD2-CE2 4.41Å; L253-F255 HydrophobicContact CD2-CZ 3.57Å; L253-F255 HydrophobicContact CG-CE1 4.31Å; L253-F255 HydrophobicContact CG-CZ 4.04Å; F255-L272 CarbonylContact O-C 3.39Å; F255-L272 WeakPolarHBondContact O-CA 3.37Å; F255-L272 VanDerWaalsContact O-CB 3.31Å; F255-L272 WeakPolarHBondContact O-CB 3.38Å; F255-A273 HydrophobicContact CB-CB 4.37Å; F255-A273 HydrophobicContact CD2-CB 4.15Å; F255-A273 WeakPolarHBondContact CD2-O 3.48Å; F255-A273 PolarHBondContact N-O 3.41Å; F255-A273 PolarHBondContact O-N 3.28Å; F255-I275 HydrophobicContact CE2-CG2 3.78Å; F255-I275 HydrophobicContact CZ-CG2 4.49Å; F255-F290 HydrophobicContact CD2-CD2 4.35Å; F255-F290 HydrophobicContact CE2-CD2 4.09Å; F255-F290 AromaticContact CE2-CE2 3.89Å; F255-F290 HydrophobicContact CE2-CE2 3.89Å; F255-I306 HydrophobicContact CB-CD1 4.14Å; F255-V308 HydrophobicContact CE1-CG1 4.18Å; F255-V308 HydrophobicContact CE1-CG2 4.38Å; F255-V308 HydrophobicContact CE2-CG2 4.37Å; F255-V308 HydrophobicContact CZ-CG1 3.91Å; F255-V308 HydrophobicContact CZ-CG2 4.2Å; F255-V360 HydrophobicContact CE1-CG1 3.8Å; F255-V360 HydrophobicContact CZ-CG1 4.22Å; F255-F362 AromaticContact CD1-CE1 3.41Å; F255-F362 HydrophobicContact CD1-CE1 3.41Å; F255-F362 VanDerWaalsContact CD1-CE1 3.41Å; F255-F362 AromaticContact CD1-CZ 3.79Å; F255-F362 HydrophobicContact CD1-CZ 3.79Å; F255-F362 AromaticContact CE1-CE1 3.48Å; F255-F362 HydrophobicContact CE1-CE1 3.48Å; F255-F362 VanDerWaalsContact CE1-CE1 3.48Å; F255-F362 AromaticContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CG-CE1 4.38Å; F255-F362 HydrophobicContact CZ-CE1 4.48Å |
| 256 | E | 89.2 | Confident | 74.5 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.2 | 173.5 | -61.3 | -171.3 | 146.6 | 0 | 0 | 109.8 | A215 V216 L254 Y258 L272 | A215-E256 CarbonylContact C-O 3.53Å; A215-E256 VanDerWaalsContact CA-O 3.24Å; A215-E256 WeakPolarHBondContact CA-O 3.16Å; V216-E256 HydrophobicContact CB-CB 4.49Å; V216-E256 PolarHBondContact N-O 3.33Å; V216-E256 PolarHBondContact O-N 3.39Å; L254-E256 HydrophobicContact CD1-CG 4.15Å; L254-E256 HydrophobicContact CD2-CG 3.92Å; L254-E256 HydrophobicContact CG-CG 3.89Å; E256-Y258 HydrophobicContact CB-CD2 4.16Å; E256-Y258 HydrophobicContact CB-CE2 3.4Å; E256-Y258 VanDerWaalsContact CD-OH 3.28Å; E256-Y258 HydrophobicContact CG-CE2 4.4Å; E256-Y258 VanDerWaalsContact OE2-CE2 3.32Å; E256-Y258 WeakPolarHBondContact OE2-CE2 3.37Å; E256-Y258 PolarHBondContact OE2-OH 2.57Å; E256-L272 HydrophobicContact CG-CB 4.08Å |
| 257 | V | 84.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.3 | -179.2 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | P213 A215 W238 L270 G271 L292 I306 L364 | P213-V257 HydrophobicContact CB-CG1 4.35Å; A215-V257 HydrophobicContact CB-CG2 4.32Å; W238-V257 HydrophobicContact CH2-CG1 4.13Å; V257-L270 HydrophobicContact CB-CB 4.25Å; V257-L270 HydrophobicContact CG1-CB 4.12Å; V257-L270 HydrophobicContact CG1-CD1 3.96Å; V257-L270 WeakPolarHBondContact O-CA 3.28Å; V257-L270 WeakPolarHBondContact O-CB 3.18Å; V257-L270 PolarHBondContact O-N 2.76Å; V257-G271 PolarHBondContact N-O 2.84Å; V257-G271 PolarHBondContact O-N 2.91Å; V257-L292 HydrophobicContact CB-CD1 4.33Å; V257-L292 HydrophobicContact CG2-CD1 4.15Å; V257-L292 HydrophobicContact CG2-CD2 4.11Å; V257-I306 HydrophobicContact CG2-CD1 4.01Å; V257-L364 HydrophobicContact CG1-CD1 4.44Å; V257-L364 HydrophobicContact CG1-CD2 4Å; V257-L364 HydrophobicContact CG2-CD1 4.12Å |
| 258 | Y | 84.4 | Confident | 75.2 | Confident | 36 Ų | 36 | 69 Ų | 69 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.6 | -176.7 | -70.4 | -78.8 | 0 | 0 | 0 | 109.8 | P213 Y214 V216 E256 P267 V268 F269 | P213-Y258 CarbonylContact C-O 3.6Å; P213-Y258 WeakPolarHBondContact CA-O 3.24Å; Y214-Y258 HydrophobicContact CE2-CD2 4.07Å; Y214-Y258 HydrophobicContact CE2-CG 4.34Å; Y214-Y258 PolarHBondContact N-O 3.43Å; Y214-Y258 PolarHBondContact O-N 3Å; V216-Y258 HydrophobicContact CG2-CD2 4.02Å; V216-Y258 HydrophobicContact CG2-CE2 4.06Å; E256-Y258 HydrophobicContact CB-CD2 4.16Å; E256-Y258 HydrophobicContact CB-CE2 3.4Å; E256-Y258 VanDerWaalsContact CD-OH 3.28Å; E256-Y258 HydrophobicContact CG-CE2 4.4Å; E256-Y258 VanDerWaalsContact OE2-CE2 3.32Å; E256-Y258 WeakPolarHBondContact OE2-CE2 3.37Å; E256-Y258 PolarHBondContact OE2-OH 2.57Å; Y258-P267 HydrophobicContact CD1-CB 3.76Å; Y258-P267 HydrophobicContact CD1-CG 3.83Å; Y258-P267 HydrophobicContact CE1-CG 4.23Å; Y258-P267 HydrophobicContact CG-CB 4.04Å; Y258-P267 HydrophobicContact CG-CG 4.29Å; Y258-V268 CarbonylContact C-O 3.59Å; Y258-V268 VanDerWaalsContact CA-O 3.24Å; Y258-V268 WeakPolarHBondContact CA-O 3.44Å; Y258-F269 HydrophobicContact CD1-CB 4.28Å; Y258-F269 HydrophobicContact CD1-CD2 4.39Å; Y258-F269 HydrophobicContact CE1-CB 4.06Å; Y258-F269 AromaticContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CG 4.46Å |
| 259 | D | 78.1 | Confident | 75.7 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.3 | 165.3 | -169.7 | 14.6 | 0 | 0 | 0 | 110.1 | H211 K212 V261 V268 L270 | H211-D259 IonicContact CE1-OD2 3.8Å; H211-D259 IonicContact CG-OD2 3.61Å; H211-D259 IonicContact ND1-OD2 2.76Å; H211-D259 PolarHBondContact ND1-OD2 2.81Å; K212-D259 PolarHBondContact N-OD1 2.88Å; D259-V261 PolarHBondContact O-N 3.11Å; D259-V261 VanDerWaalsContact O-N 3.16Å; D259-V268 HydrophobicContact CB-CB 4.24Å; D259-V268 PolarHBondContact N-O 2.68Å; D259-V268 PolarHBondContact O-N 3.27Å; D259-L270 HydrophobicContact CB-CD1 3.76Å; D259-L270 HydrophobicContact CB-CD2 4.02Å; D259-L270 HydrophobicContact CB-CG 3.94Å |
| 260 | H | 70.1 | Confident | 75.6 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 30% | 0.296 | 27% | 0.272 | S | S | . | . | trans | -81.5 | 92.6 | 169.7 | -167.5 | 59 | 0 | 0 | 0 | 110.6 | K212 Y214 Q230 S262 | K212-H260 HydrophobicContact CB-CB 4.31Å; K212-H260 PolarHBondContact O-N 2.89Å; K212-H260 VanDerWaalsContact O-N 3.14Å; Y214-H260 HydrophobicContact CD1-CB 4.23Å; Y214-H260 HydrophobicContact CE1-CB 4.09Å; Q230-H260 VanDerWaalsContact NE2-CB 3.26Å; Q230-H260 PolarHBondContact NE2-CD2 3.37Å; Q230-H260 VanDerWaalsContact NE2-CG 3.31Å; H260-S262 PolarHBondContact O-N 3Å | ||
| 261 | V | 61.6 | Low | 75.6 | Confident | 45 Ų | 45 | 52 Ų | 52 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -79.8 | 122.4 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | D259 D263 S264 V268 | D259-V261 PolarHBondContact O-N 3.11Å; D259-V261 VanDerWaalsContact O-N 3.16Å; V261-D263 PolarHBondContact O-N 2.85Å; V261-S264 PolarHBondContact O-N 2.82Å; V261-S264 PolarHBondContact O-OG 3.01Å; V261-V268 HydrophobicContact CB-CG2 4.32Å; V261-V268 HydrophobicContact CG2-CB 4.29Å; V261-V268 HydrophobicContact CG2-CG2 3.55Å | ||
| 262 | S | 54.9 | Low | 75.9 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25.7 | -172.4 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | H260 K454 | H260-S262 PolarHBondContact O-N 3Å; S262-K454 WeakPolarHBondContact O-CE 3.41Å; S262-K454 PolarHBondContact O-NZ 3.25Å |
| 263 | D | 54.8 | Low | 75.8 | Confident | 73 Ų | 73 | 39.8 Ų | 39.8 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -3.4 | -176.3 | -97.5 | -13 | 0 | 0 | 0 | 116.5 | T166 V261 K454 | T166-D263 VanDerWaalsContact CB-OD2 3.26Å; T166-D263 WeakPolarHBondContact CB-OD2 3.33Å; T166-D263 PolarHBondContact OG1-OD2 2.8Å; V261-D263 PolarHBondContact O-N 2.85Å; D263-K454 IonicContact OD1-NZ 3.88Å; D263-K454 PolarHBondContact OD1-NZ 3.48Å |
| 264 | S | 52.3 | Low | 75.9 | Confident | 43 Ų | 43 | 44 Ų | 44 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | trans | -92.6 | 132.3 | 173.9 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | V261 K266 | V261-S264 PolarHBondContact O-N 2.82Å; V261-S264 PolarHBondContact O-OG 3.01Å; S264-K266 WeakPolarHBondContact CB-O 3.45Å; S264-K266 PolarHBondContact O-N 3.41Å; S264-K266 PolarHBondContact OG-O 2.76Å | ||
| 265 | S | 58 | Low | 75.8 | Confident | 138 Ų | 138 | 42.4 Ų | 42.4 | 97% | 0.965 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -64.5 | -29 | 170.5 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 266 | K | 66.2 | Low | 75.7 | Confident | 156 Ų | 156 | 44.2 Ų | 44.2 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -104.2 | 132.1 | 177.6 | -165.6 | 176 | -178 | 179.8 | 0 | 109.8 | S264 | S264-K266 WeakPolarHBondContact CB-O 3.45Å; S264-K266 PolarHBondContact O-N 3.41Å; S264-K266 PolarHBondContact OG-O 2.76Å |
| 267 | P | 75.9 | Confident | 75.2 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 147.9 | 173.8 | 26.8 | -34 | 0 | 0 | 0 | 111.2 | Y214 Y258 | Y214-P267 HydrophobicContact CE1-CB 4.37Å; Y214-P267 WeakPolarHBondContact OH-CB 3.19Å; Y214-P267 WeakPolarHBondContact OH-CG 3.44Å; Y258-P267 HydrophobicContact CD1-CB 3.76Å; Y258-P267 HydrophobicContact CD1-CG 3.83Å; Y258-P267 HydrophobicContact CE1-CG 4.23Å; Y258-P267 HydrophobicContact CG-CB 4.04Å; Y258-P267 HydrophobicContact CG-CG 4.29Å |
| 268 | V | 79.6 | Confident | 74.7 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 38% | 0.376 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.1 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 107.9 | Y258 D259 V261 L270 | Y258-V268 CarbonylContact C-O 3.59Å; Y258-V268 VanDerWaalsContact CA-O 3.24Å; Y258-V268 WeakPolarHBondContact CA-O 3.44Å; D259-V268 HydrophobicContact CB-CB 4.24Å; D259-V268 PolarHBondContact N-O 2.68Å; D259-V268 PolarHBondContact O-N 3.27Å; V261-V268 HydrophobicContact CB-CG2 4.32Å; V261-V268 HydrophobicContact CG2-CB 4.29Å; V261-V268 HydrophobicContact CG2-CG2 3.55Å; V268-L270 PolarHBondContact O-N 2.9Å |
| 269 | F | 83.9 | Confident | 74.4 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.5 | 176.4 | 177.6 | -107.7 | 0 | 0 | 0 | 110.3 | Y258 G271 L272 H295 E300 I302 | Y258-F269 HydrophobicContact CD1-CB 4.28Å; Y258-F269 HydrophobicContact CD1-CD2 4.39Å; Y258-F269 HydrophobicContact CE1-CB 4.06Å; Y258-F269 AromaticContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CG 4.46Å; F269-G271 VanDerWaalsContact CE1-CA 3.49Å; F269-L272 HydrophobicContact CE2-CB 3.95Å; F269-L272 HydrophobicContact CE2-CD2 4.22Å; F269-L272 HydrophobicContact CE2-CG 4.4Å; F269-L272 HydrophobicContact CZ-CB 3.88Å; F269-L272 HydrophobicContact CZ-CD2 3.88Å; F269-L272 HydrophobicContact CZ-CG 3.92Å; F269-H295 AromaticContact CD1-CE1 3.45Å; F269-H295 VanDerWaalsContact CD1-CE1 3.45Å; F269-H295 WeakPolarHBondContact CD1-CE1 3.5Å; F269-H295 AromaticContact CD1-ND1 3.68Å; F269-H295 AromaticContact CD2-CE1 3.46Å; F269-H295 VanDerWaalsContact CD2-CE1 3.46Å; F269-H295 WeakPolarHBondContact CD2-CE1 3.29Å; F269-H295 AromaticContact CD2-NE2 3.92Å; F269-H295 AromaticContact CE1-CE1 3.48Å; F269-H295 VanDerWaalsContact CE1-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE1-CE1 3.28Å; F269-H295 AromaticContact CE1-ND1 3.44Å; F269-H295 WeakPolarHBondContact CE1-ND1 3.39Å; F269-H295 AromaticContact CE2-CE1 3.48Å; F269-H295 VanDerWaalsContact CE2-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE2-CE1 3.29Å; F269-H295 AromaticContact CE2-NE2 3.74Å; F269-H295 AromaticContact CG-CE1 3.41Å; F269-H295 VanDerWaalsContact CG-CE1 3.41Å; F269-H295 WeakPolarHBondContact CG-CE1 3.42Å; F269-H295 AromaticContact CZ-CE1 3.48Å; F269-H295 VanDerWaalsContact CZ-CE1 3.48Å; F269-H295 WeakPolarHBondContact CZ-CE1 3.25Å; F269-H295 AromaticContact CZ-ND1 3.68Å; F269-H295 AromaticContact CZ-NE2 3.97Å; F269-E300 WeakPolarHBondContact CD1-OE2 3.43Å; F269-E300 WeakPolarHBondContact CE1-OE2 3.47Å; F269-I302 HydrophobicContact CD1-CD1 4.3Å; F269-I302 HydrophobicContact CE1-CD1 4.16Å; F269-I302 HydrophobicContact CE1-CG1 4.26Å |
| 270 | L | 78.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -16.8 | 177.6 | -64.8 | 178.9 | 0 | 0 | 0 | 112.6 | P213 V257 D259 V268 I302 I366 L369 | P213-L270 HydrophobicContact CB-CD1 3.88Å; V257-L270 HydrophobicContact CB-CB 4.25Å; V257-L270 HydrophobicContact CG1-CB 4.12Å; V257-L270 HydrophobicContact CG1-CD1 3.96Å; V257-L270 WeakPolarHBondContact O-CA 3.28Å; V257-L270 WeakPolarHBondContact O-CB 3.18Å; V257-L270 PolarHBondContact O-N 2.76Å; D259-L270 HydrophobicContact CB-CD1 3.76Å; D259-L270 HydrophobicContact CB-CD2 4.02Å; D259-L270 HydrophobicContact CB-CG 3.94Å; V268-L270 PolarHBondContact O-N 2.9Å; L270-I302 VanDerWaalsContact O-CG2 3.29Å; L270-I302 WeakPolarHBondContact O-CG2 3.14Å; L270-I366 HydrophobicContact CB-CD1 4.31Å; L270-I366 HydrophobicContact CD1-CD1 3.73Å; L270-I366 HydrophobicContact CG-CD1 4.45Å; L270-L369 HydrophobicContact CD2-CD1 4.48Å |
| 271 | G | 81.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143 | 161.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | V257 F269 Q293 | V257-G271 PolarHBondContact N-O 2.84Å; V257-G271 PolarHBondContact O-N 2.91Å; F269-G271 VanDerWaalsContact CE1-CA 3.49Å; G271-Q293 WeakPolarHBondContact CA-O 3.16Å |
| 272 | L | 90.4 | Very high | 74.5 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 161.2 | 175.4 | 67.6 | 82.3 | 0 | 0 | 0 | 112.9 | L254 F255 E256 F269 L292 Q293 | L254-L272 HydrophobicContact CD1-CB 4.13Å; L254-L272 HydrophobicContact CD1-CD1 4.1Å; L254-L272 HydrophobicContact CD1-CD2 4.47Å; L254-L272 HydrophobicContact CD1-CG 4.47Å; F255-L272 CarbonylContact O-C 3.39Å; F255-L272 WeakPolarHBondContact O-CA 3.37Å; F255-L272 VanDerWaalsContact O-CB 3.31Å; F255-L272 WeakPolarHBondContact O-CB 3.38Å; E256-L272 HydrophobicContact CG-CB 4.08Å; F269-L272 HydrophobicContact CE2-CB 3.95Å; F269-L272 HydrophobicContact CE2-CD2 4.22Å; F269-L272 HydrophobicContact CE2-CG 4.4Å; F269-L272 HydrophobicContact CZ-CB 3.88Å; F269-L272 HydrophobicContact CZ-CD2 3.88Å; F269-L272 HydrophobicContact CZ-CG 3.92Å; L272-L292 CarbonylContact O-C 3.58Å; L272-L292 WeakPolarHBondContact O-CA 3.48Å; L272-Q293 PolarHBondContact N-O 2.79Å; L272-Q293 PolarHBondContact O-N 2.66Å |
| 273 | A | 84.7 | Confident | 75 | Confident | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | F255 F290 L292 I306 | F255-A273 HydrophobicContact CB-CB 4.37Å; F255-A273 HydrophobicContact CD2-CB 4.15Å; F255-A273 WeakPolarHBondContact CD2-O 3.48Å; F255-A273 PolarHBondContact N-O 3.41Å; F255-A273 PolarHBondContact O-N 3.28Å; A273-F290 HydrophobicContact CB-CB 3.62Å; A273-F290 HydrophobicContact CB-CG 4.27Å; A273-L292 HydrophobicContact CB-CD2 4.28Å; A273-I306 HydrophobicContact CB-CG2 4Å |
| 274 | L | 89.9 | Confident | 75.2 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.7 | 178.1 | -173 | 71.6 | 0 | 0 | 0 | 108.7 | E252 L254 | E252-L274 HydrophobicContact CB-CD1 4.05Å; L254-L274 HydrophobicContact CB-CD1 3.77Å; L254-L274 HydrophobicContact CD1-CB 4.37Å; L254-L274 HydrophobicContact CD1-CD1 4Å; L254-L274 HydrophobicContact CG-CD1 4.45Å |
| 275 | I | 86.4 | Confident | 75.7 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.1 | 175.8 | -179 | 158.6 | 0 | 0 | 0 | 111.2 | E252 L253 F255 E279 L280 M283 F290 | E252-I275 CarbonylContact C-O 3.52Å; E252-I275 WeakPolarHBondContact CA-O 3.24Å; L253-I275 HydrophobicContact CB-CG2 4.14Å; L253-I275 PolarHBondContact N-O 3.49Å; L253-I275 PolarHBondContact O-N 3.35Å; F255-I275 HydrophobicContact CE2-CG2 3.78Å; F255-I275 HydrophobicContact CZ-CG2 4.49Å; I275-E279 HydrophobicContact CD1-CB 4.33Å; I275-E279 HydrophobicContact CD1-CG 4.11Å; I275-E279 HydrophobicContact CG1-CB 4.15Å; I275-E279 HydrophobicContact CG1-CG 4.33Å; I275-L280 HydrophobicContact CD1-CB 4.18Å; I275-L280 HydrophobicContact CD1-CD1 3.8Å; I275-L280 HydrophobicContact CG1-CB 4.35Å; I275-L280 HydrophobicContact CG1-CD1 4.43Å; I275-L280 HydrophobicContact CG2-CD1 4.22Å; I275-M283 HydrophobicContact CD1-CE 3.4Å; I275-M283 HydrophobicContact CD1-SD 3.75Å; I275-F290 HydrophobicContact CB-CE1 4.32Å; I275-F290 HydrophobicContact CB-CZ 4.34Å; I275-F290 HydrophobicContact CD1-CE1 3.49Å; I275-F290 VanDerWaalsContact CD1-CE1 3.49Å; I275-F290 HydrophobicContact CD1-CZ 3.47Å; I275-F290 VanDerWaalsContact CD1-CZ 3.47Å; I275-F290 HydrophobicContact CG1-CE1 4.43Å; I275-F290 HydrophobicContact CG1-CZ 4.48Å; I275-F290 HydrophobicContact CG2-CZ 4.34Å |
| 276 | S | 85.7 | Confident | 75.9 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 143.3 | 172.1 | 75.9 | 0 | 0 | 0 | 0 | 111.9 | R251 N278 E279 L280 | R251-S276 CarbonylContact O-C 3.57Å; R251-S276 WeakPolarHBondContact O-CA 3.32Å; S276-N278 PolarHBondContact O-N 2.79Å; S276-E279 PolarHBondContact O-N 2.93Å; S276-E279 VanDerWaalsContact O-N 3.12Å; S276-E279 WeakPolarHBondContact OG-CB 3.45Å; S276-E279 PolarHBondContact OG-N 2.64Å; S276-E279 VanDerWaalsContact OG-N 3.1Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.43Å |
| 277 | I | 77.7 | Confident | 76 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 176.5 | -61.7 | -57.6 | 0 | 0 | 0 | 111.2 | L219 L246 R251 L253 L280 Q281 | L219-I277 HydrophobicContact CD1-CD1 3.74Å; L219-I277 HydrophobicContact CD1-CG1 4.22Å; L246-I277 HydrophobicContact CD1-CG2 3.92Å; L246-I277 HydrophobicContact CD2-CD1 3.9Å; L246-I277 HydrophobicContact CD2-CG1 4.4Å; R251-I277 PolarHBondContact O-N 2.88Å; L253-I277 HydrophobicContact CB-CD1 4.08Å; I277-L280 HydrophobicContact CD1-CD2 4.3Å; I277-L280 WeakPolarHBondContact O-CB 3.41Å; I277-L280 PolarHBondContact O-N 3.43Å; I277-Q281 HydrophobicContact CG2-CG 4.38Å; I277-Q281 WeakPolarHBondContact O-CB 3.26Å; I277-Q281 WeakPolarHBondContact O-CG 3.24Å; I277-Q281 PolarHBondContact O-N 3.2Å |
| 278 | N | 74.9 | Confident | 75.7 | Confident | 123 Ų | 123 | 55.5 Ų | 55.5 | 66% | 0.658 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.7 | -44.8 | 175.5 | -71.3 | -24.7 | 0 | 0 | 0 | 112 | S276 Q281 S282 | S276-N278 PolarHBondContact O-N 2.79Å; N278-Q281 PolarHBondContact O-N 3.03Å; N278-S282 WeakPolarHBondContact O-CB 3.48Å; N278-S282 PolarHBondContact O-N 3.44Å |
| 279 | E | 77.8 | Confident | 75.2 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 175.4 | -174.4 | -178.4 | 176.3 | 0 | 0 | 110.5 | I275 S276 Q281 S282 M283 | I275-E279 HydrophobicContact CD1-CB 4.33Å; I275-E279 HydrophobicContact CD1-CG 4.11Å; I275-E279 HydrophobicContact CG1-CB 4.15Å; I275-E279 HydrophobicContact CG1-CG 4.33Å; S276-E279 PolarHBondContact O-N 2.93Å; S276-E279 VanDerWaalsContact O-N 3.12Å; S276-E279 WeakPolarHBondContact OG-CB 3.45Å; S276-E279 PolarHBondContact OG-N 2.64Å; S276-E279 VanDerWaalsContact OG-N 3.1Å; E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 2.96Å; E279-S282 WeakPolarHBondContact O-CB 3.44Å; E279-S282 PolarHBondContact O-N 2.67Å; E279-S282 PolarHBondContact O-OG 3.07Å; E279-M283 HydrophobicContact CG-CE 4.12Å; E279-M283 WeakPolarHBondContact O-CG 3.3Å; E279-M283 PolarHBondContact O-N 3.46Å |
| 280 | L | 71.6 | Confident | 74.8 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.4 | -42.4 | 176.7 | -164.2 | 74.7 | 0 | 0 | 0 | 112.4 | L253 I275 S276 I277 M283 V310 T358 | L253-L280 HydrophobicContact CD2-CD2 4.41Å; I275-L280 HydrophobicContact CD1-CB 4.18Å; I275-L280 HydrophobicContact CD1-CD1 3.8Å; I275-L280 HydrophobicContact CG1-CB 4.35Å; I275-L280 HydrophobicContact CG1-CD1 4.43Å; I275-L280 HydrophobicContact CG2-CD1 4.22Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.43Å; I277-L280 HydrophobicContact CD1-CD2 4.3Å; I277-L280 WeakPolarHBondContact O-CB 3.41Å; I277-L280 PolarHBondContact O-N 3.43Å; L280-M283 HydrophobicContact CD1-SD 4.32Å; L280-M283 PolarHBondContact O-N 3.16Å; L280-V310 HydrophobicContact CD1-CB 4.22Å; L280-V310 HydrophobicContact CD1-CG1 3.89Å; L280-V310 HydrophobicContact CD1-CG2 3.6Å; L280-V310 HydrophobicContact CD2-CG1 3.86Å; L280-V310 HydrophobicContact CG-CG1 3.78Å; L280-V310 HydrophobicContact CG-CG2 4.42Å; L280-T358 HydrophobicContact CD2-CG2 4.17Å |
| 281 | Q | 69.6 | Low | 74.8 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.5 | -29.2 | 177.1 | -73.7 | 176.5 | 2.3 | 0 | 0 | 113 | I277 N278 E279 M283 | I277-Q281 HydrophobicContact CG2-CG 4.38Å; I277-Q281 WeakPolarHBondContact O-CB 3.26Å; I277-Q281 WeakPolarHBondContact O-CG 3.24Å; I277-Q281 PolarHBondContact O-N 3.2Å; N278-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 2.96Å; Q281-M283 VanDerWaalsContact C-N 3.25Å; Q281-M283 PolarHBondContact O-N 3.21Å |
| 282 | S | 69.7 | Low | 74.7 | Confident | 90 Ų | 90 | 67 Ų | 67 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -74.1 | -17.2 | 177.7 | 79.4 | 0 | 0 | 0 | 0 | 113.3 | N278 E279 S284 | N278-S282 WeakPolarHBondContact O-CB 3.48Å; N278-S282 PolarHBondContact O-N 3.44Å; E279-S282 WeakPolarHBondContact O-CB 3.44Å; E279-S282 PolarHBondContact O-N 2.67Å; E279-S282 PolarHBondContact O-OG 3.07Å; S282-S284 PolarHBondContact O-N 3.32Å |
| 283 | M | 67 | Low | 74.3 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | trans | -67.7 | 132.1 | -177.4 | -74 | 164.1 | 162.8 | 0 | 0 | 112.4 | I275 E279 L280 Q281 Q288 F290 R315 | I275-M283 HydrophobicContact CD1-CE 3.4Å; I275-M283 HydrophobicContact CD1-SD 3.75Å; E279-M283 HydrophobicContact CG-CE 4.12Å; E279-M283 WeakPolarHBondContact O-CG 3.3Å; E279-M283 PolarHBondContact O-N 3.46Å; L280-M283 HydrophobicContact CD1-SD 4.32Å; L280-M283 PolarHBondContact O-N 3.16Å; Q281-M283 VanDerWaalsContact C-N 3.25Å; Q281-M283 PolarHBondContact O-N 3.21Å; M283-Q288 HydrophobicContact CE-CG 4.34Å; M283-Q288 HydrophobicContact SD-CG 3.49Å; M283-Q288 WeakPolarHBondContact SD-CG 3.14Å; M283-Q288 PolarHBondContact SD-OE1 2.98Å; M283-F290 HydrophobicContact CE-CE1 4Å; M283-F290 HydrophobicContact CE-CZ 4.28Å; M283-R315 PolarHBondContact O-NH2 3.25Å | ||
| 284 | S | 59.1 | Low | 73.9 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 69% | 0.685 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -83.7 | -30.9 | -177.7 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | S282 | S282-S284 PolarHBondContact O-N 3.32Š|
| 285 | R | 61.5 | Low | 73.6 | Confident | 174 Ų | 174 | 71.1 Ų | 71.1 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -94.8 | 143.4 | -179.2 | -62.8 | -172.4 | 178.9 | -160.5 | -0.7 | 111.1 | Q288 | R285-Q288 PolarHBondContact O-NE2 2.72Š|
| 286 | P | 61.7 | Low | 73.2 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -64.8 | -51.6 | 172.1 | -22.6 | 33.7 | 0 | 0 | 0 | 111.6 | Q288 E309 V310 | P286-Q288 PolarHBondContact O-N 3.14Å; P286-E309 HydrophobicContact CB-CG 3.74Å; P286-E309 CarbonylContact O-C 3.58Å; P286-E309 WeakPolarHBondContact O-CA 3.43Å; P286-V310 WeakPolarHBondContact CA-O 3.24Å; P286-V310 PolarHBondContact O-N 3.47Å |
| 287 | L | 69.9 | Low | 72.6 | Confident | 102 Ų | 102 | 85.4 Ų | 85.4 | 53% | 0.534 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 112.3 | 179.9 | -171.8 | 68.2 | 0 | 0 | 0 | 112.1 | F307 E309 | L287-F307 HydrophobicContact CD1-CB 4.23Å; L287-E309 HydrophobicContact CD1-CB 4.02Å |
| 288 | Q | 68 | Low | 72.5 | Confident | 26 Ų | 26 | 87 Ų | 87 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 160 | 174.1 | -60.9 | -53.4 | -38.2 | 0 | 0 | 112 | M283 R285 P286 F290 F307 V308 V310 | M283-Q288 HydrophobicContact CE-CG 4.34Å; M283-Q288 HydrophobicContact SD-CG 3.49Å; M283-Q288 WeakPolarHBondContact SD-CG 3.14Å; M283-Q288 PolarHBondContact SD-OE1 2.98Å; R285-Q288 PolarHBondContact O-NE2 2.72Å; P286-Q288 PolarHBondContact O-N 3.14Å; Q288-F290 HydrophobicContact CB-CE1 4.38Å; Q288-F290 HydrophobicContact CB-CE2 3.81Å; Q288-F290 HydrophobicContact CB-CZ 3.6Å; Q288-F290 HydrophobicContact CG-CZ 4.21Å; Q288-F307 CarbonylContact O-C 3.53Å; Q288-F307 WeakPolarHBondContact O-CA 3.48Å; Q288-V308 WeakPolarHBondContact CA-O 3.19Å; Q288-V308 HydrophobicContact CB-CB 4.43Å; Q288-V308 VanDerWaalsContact CB-O 3.29Å; Q288-V308 WeakPolarHBondContact CB-O 3.24Å; Q288-V308 PolarHBondContact N-O 3.14Å; Q288-V308 PolarHBondContact O-N 3.27Å; Q288-V310 HydrophobicContact CG-CG2 4.13Å |
| 289 | R | 68.9 | Low | 72.2 | Confident | 172 Ų | 172 | 89.3 Ų | 89.3 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.7 | 175.2 | 73.7 | -179.2 | 86.4 | 111 | -6.4 | 109.4 | F307 | R289-F307 HydrophobicContact CB-CD1 3.63Å; R289-F307 HydrophobicContact CB-CE1 3.75Å |
| 290 | F | 76.8 | Confident | 71.8 | Confident | 24 Ų | 24 | 88.6 Ų | 88.6 | 11% | 0.105 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.9 | 178.2 | -53.9 | -63.4 | 0 | 0 | 0 | 109.6 | F255 A273 I275 M283 Q288 K305 I306 V308 | F255-F290 HydrophobicContact CD2-CD2 4.35Å; F255-F290 HydrophobicContact CE2-CD2 4.09Å; F255-F290 AromaticContact CE2-CE2 3.89Å; F255-F290 HydrophobicContact CE2-CE2 3.89Å; A273-F290 HydrophobicContact CB-CB 3.62Å; A273-F290 HydrophobicContact CB-CG 4.27Å; I275-F290 HydrophobicContact CB-CE1 4.32Å; I275-F290 HydrophobicContact CB-CZ 4.34Å; I275-F290 HydrophobicContact CD1-CE1 3.49Å; I275-F290 VanDerWaalsContact CD1-CE1 3.49Å; I275-F290 HydrophobicContact CD1-CZ 3.47Å; I275-F290 VanDerWaalsContact CD1-CZ 3.47Å; I275-F290 HydrophobicContact CG1-CE1 4.43Å; I275-F290 HydrophobicContact CG1-CZ 4.48Å; I275-F290 HydrophobicContact CG2-CZ 4.34Å; M283-F290 HydrophobicContact CE-CE1 4Å; M283-F290 HydrophobicContact CE-CZ 4.28Å; Q288-F290 HydrophobicContact CB-CE1 4.38Å; Q288-F290 HydrophobicContact CB-CE2 3.81Å; Q288-F290 HydrophobicContact CB-CZ 3.6Å; Q288-F290 HydrophobicContact CG-CZ 4.21Å; F290-K305 CarbonylContact O-C 3.57Å; F290-K305 WeakPolarHBondContact O-CA 3.35Å; F290-K305 WeakPolarHBondContact O-CB 3.33Å; F290-I306 HydrophobicContact CB-CG2 3.78Å; F290-I306 HydrophobicContact CD2-CG2 4.24Å; F290-I306 PolarHBondContact N-O 3.09Å; F290-I306 PolarHBondContact O-N 2.72Å; F290-V308 HydrophobicContact CD2-CB 4.16Å; F290-V308 HydrophobicContact CD2-CG2 3.64Å; F290-V308 HydrophobicContact CE2-CB 3.77Å; F290-V308 HydrophobicContact CE2-CG1 4.47Å; F290-V308 HydrophobicContact CE2-CG2 3.74Å |
| 291 | K | 78.7 | Confident | 71.5 | Confident | 144 Ų | 144 | 94.8 Ų | 94.8 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.4 | 170.2 | -173.6 | -175.4 | 175.3 | -172.9 | 0 | 107.5 | ||
| 292 | L | 79.1 | Confident | 71.4 | Confident | 1 Ų | 1 | 91.9 Ų | 91.9 | 1% | 0.005 | 46% | 0.464 | C | S | . | . | trans | -71.8 | 145.8 | 174.1 | -68.3 | -176 | 0 | 0 | 0 | 110.9 | V257 L272 A273 I302 G304 I306 L364 | V257-L292 HydrophobicContact CB-CD1 4.33Å; V257-L292 HydrophobicContact CG2-CD1 4.15Å; V257-L292 HydrophobicContact CG2-CD2 4.11Å; L272-L292 CarbonylContact O-C 3.58Å; L272-L292 WeakPolarHBondContact O-CA 3.48Å; A273-L292 HydrophobicContact CB-CD2 4.28Å; L292-I302 HydrophobicContact CB-CG2 3.61Å; L292-G304 PolarHBondContact N-O 3.04Å; L292-I306 HydrophobicContact CD2-CB 4.17Å; L292-I306 HydrophobicContact CD2-CG2 3.86Å; L292-L364 HydrophobicContact CD1-CD1 3.63Å; L292-L364 HydrophobicContact CG-CD1 4.33Å | ||
| 293 | Q | 81 | Confident | 71.3 | Confident | 120 Ų | 120 | 88.9 Ų | 88.9 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | B | Isolated β-bridge | trans | -131.7 | 161.7 | -178.8 | -61.9 | -175.9 | -16 | 0 | 0 | 110.4 | G271 L272 | G271-Q293 WeakPolarHBondContact CA-O 3.16Å; L272-Q293 PolarHBondContact N-O 2.79Å; L272-Q293 PolarHBondContact O-N 2.66Å |
| 294 | G | 77.2 | Confident | 71.3 | Confident | 14 Ų | 14 | 88 Ų | 88 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 171.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 295 | H | 82.8 | Confident | 71.7 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 29% | 0.292 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 148 | 168.4 | -65.4 | 88.8 | 0 | 0 | 0 | 111.2 | F269 Y297 S298 E300 | F269-H295 AromaticContact CD1-CE1 3.45Å; F269-H295 VanDerWaalsContact CD1-CE1 3.45Å; F269-H295 WeakPolarHBondContact CD1-CE1 3.5Å; F269-H295 AromaticContact CD1-ND1 3.68Å; F269-H295 AromaticContact CD2-CE1 3.46Å; F269-H295 VanDerWaalsContact CD2-CE1 3.46Å; F269-H295 WeakPolarHBondContact CD2-CE1 3.29Å; F269-H295 AromaticContact CD2-NE2 3.92Å; F269-H295 AromaticContact CE1-CE1 3.48Å; F269-H295 VanDerWaalsContact CE1-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE1-CE1 3.28Å; F269-H295 AromaticContact CE1-ND1 3.44Å; F269-H295 WeakPolarHBondContact CE1-ND1 3.39Å; F269-H295 AromaticContact CE2-CE1 3.48Å; F269-H295 VanDerWaalsContact CE2-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE2-CE1 3.29Å; F269-H295 AromaticContact CE2-NE2 3.74Å; F269-H295 AromaticContact CG-CE1 3.41Å; F269-H295 VanDerWaalsContact CG-CE1 3.41Å; F269-H295 WeakPolarHBondContact CG-CE1 3.42Å; F269-H295 AromaticContact CZ-CE1 3.48Å; F269-H295 VanDerWaalsContact CZ-CE1 3.48Å; F269-H295 WeakPolarHBondContact CZ-CE1 3.25Å; F269-H295 AromaticContact CZ-ND1 3.68Å; F269-H295 AromaticContact CZ-NE2 3.97Å; H295-Y297 PolarHBondContact O-N 2.85Å; H295-S298 PolarHBondContact N-OG 2.82Å; H295-S298 VanDerWaalsContact O-CB 3.3Å; H295-S298 WeakPolarHBondContact O-CB 3.5Å; H295-S298 PolarHBondContact O-N 3.47Å; H295-S298 PolarHBondContact O-OG 2.86Å; H295-E300 IonicContact CE1-OE2 3.7Å; H295-E300 IonicContact CG-OE2 3.56Å; H295-E300 PolarHBondContact N-OE2 2.97Å; H295-E300 IonicContact ND1-OE1 3.88Å; H295-E300 IonicContact ND1-OE2 3.53Å; H295-E300 PolarHBondContact ND1-OE2 3.41Å |
| 296 | P | 78.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 80.2 Ų | 80.2 | 62% | 0.623 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 134.3 | 171.8 | -25.5 | 33.9 | 0 | 0 | 0 | 110.8 | S298 | P296-S298 PolarHBondContact O-N 3.44Š|
| 297 | Y | 73.4 | Confident | 72.5 | Confident | 245 Ų | 245 | 79.1 Ų | 79.1 | 96% | 0.961 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 17.9 | -177.9 | -41.7 | -76.2 | 0 | 0 | 0 | 115.3 | H295 | H295-Y297 PolarHBondContact O-N 2.85Š|
| 298 | S | 75.3 | Confident | 72.7 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | trans | -101.4 | 147.9 | 169.5 | 76.8 | 0 | 0 | 0 | 0 | 111.5 | H295 P296 E300 | H295-S298 PolarHBondContact N-OG 2.82Å; H295-S298 VanDerWaalsContact O-CB 3.3Å; H295-S298 WeakPolarHBondContact O-CB 3.5Å; H295-S298 PolarHBondContact O-N 3.47Å; H295-S298 PolarHBondContact O-OG 2.86Å; P296-S298 PolarHBondContact O-N 3.44Å; S298-E300 PolarHBondContact O-N 3.3Å; S298-E300 PolarHBondContact OG-OE2 3.28Å | ||
| 299 | D | 68.5 | Low | 72.6 | Confident | 170 Ų | 170 | 75.9 Ų | 75.9 | 91% | 0.909 | 37% | 0.372 | S | S | * | . | trans | -87.6 | 21.5 | 172.2 | -64.1 | -41.6 | 0 | 0 | 0 | 111.9 | V301 | D299-V301 PolarHBondContact O-N 3.15Š| ||
| 300 | E | 69.8 | Low | 72.5 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | trans | -66.1 | 116.5 | -178.3 | -69.2 | 172.7 | 168.7 | 0 | 0 | 110.4 | F269 H295 S298 I302 | F269-E300 WeakPolarHBondContact CD1-OE2 3.43Å; F269-E300 WeakPolarHBondContact CE1-OE2 3.47Å; H295-E300 IonicContact CE1-OE2 3.7Å; H295-E300 IonicContact CG-OE2 3.56Å; H295-E300 PolarHBondContact N-OE2 2.97Å; H295-E300 IonicContact ND1-OE1 3.88Å; H295-E300 IonicContact ND1-OE2 3.53Å; H295-E300 PolarHBondContact ND1-OE2 3.41Å; S298-E300 PolarHBondContact O-N 3.3Å; S298-E300 PolarHBondContact OG-OE2 3.28Å; E300-I302 HydrophobicContact CB-CD1 4.19Å; E300-I302 HydrophobicContact CB-CG1 4.11Å; E300-I302 PolarHBondContact O-N 3.06Å | ||
| 301 | V | 65.2 | Low | 71.9 | Confident | 141 Ų | 141 | 68.9 Ų | 68.9 | 86% | 0.855 | 35% | 0.352 | S | S | * | . | trans | -79.4 | 92.9 | 175 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | D299 | D299-V301 PolarHBondContact O-N 3.15Š| ||
| 302 | I | 68 | Low | 70.9 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | trans | -97.9 | 131.5 | 178.9 | -60.5 | -53 | 0 | 0 | 0 | 111.1 | F269 L270 L292 E300 | F269-I302 HydrophobicContact CD1-CD1 4.3Å; F269-I302 HydrophobicContact CE1-CD1 4.16Å; F269-I302 HydrophobicContact CE1-CG1 4.26Å; L270-I302 VanDerWaalsContact O-CG2 3.29Å; L270-I302 WeakPolarHBondContact O-CG2 3.14Å; L292-I302 HydrophobicContact CB-CG2 3.61Å; E300-I302 HydrophobicContact CB-CD1 4.19Å; E300-I302 HydrophobicContact CB-CG1 4.11Å; E300-I302 PolarHBondContact O-N 3.06Å | ||
| 303 | S | 66.5 | Low | 69.6 | Low | 28 Ų | 28 | 65.6 Ų | 65.6 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | trans | -116.8 | 160.5 | 171.6 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | G367 D368 | S303-G367 PolarHBondContact OG-O 3.07Å; S303-D368 PolarHBondContact OG-O 2.86Å | ||
| 304 | G | 67.4 | Low | 68 | Low | 14 Ų | 14 | 65.6 Ų | 65.6 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | trans | 108.6 | 169.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L292 R365 | L292-G304 PolarHBondContact N-O 3.04Å; G304-R365 WeakPolarHBondContact CA-O 3.38Å | ||
| 305 | K | 67.5 | Low | 66.6 | Low | 108 Ų | 108 | 71 Ų | 71 | 47% | 0.47 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.8 | -177.6 | -63.1 | 174.4 | -174.1 | 167.2 | 0 | 109.9 | F290 F307 L364 R365 | F290-K305 CarbonylContact O-C 3.57Å; F290-K305 WeakPolarHBondContact O-CA 3.35Å; F290-K305 WeakPolarHBondContact O-CB 3.33Å; K305-F307 HydrophobicContact CB-CE2 4.34Å; K305-L364 WeakPolarHBondContact O-CA 3.18Å; K305-L364 WeakPolarHBondContact O-CD1 2.91Å; K305-R365 PolarHBondContact N-O 3.05Å; K305-R365 PolarHBondContact O-N 2.9Å; K305-R365 VanDerWaalsContact O-N 3.07Å |
| 306 | I | 70.2 | Confident | 64.6 | Low | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.3 | 169.8 | -166.7 | 172.8 | 0 | 0 | 0 | 108.9 | F255 V257 A273 F290 L292 V308 F362 S363 L364 | F255-I306 HydrophobicContact CB-CD1 4.14Å; V257-I306 HydrophobicContact CG2-CD1 4.01Å; A273-I306 HydrophobicContact CB-CG2 4Å; F290-I306 HydrophobicContact CB-CG2 3.78Å; F290-I306 HydrophobicContact CD2-CG2 4.24Å; F290-I306 PolarHBondContact N-O 3.09Å; F290-I306 PolarHBondContact O-N 2.72Å; L292-I306 HydrophobicContact CD2-CB 4.17Å; L292-I306 HydrophobicContact CD2-CG2 3.86Å; I306-V308 HydrophobicContact CD1-CG2 4.43Å; I306-V308 HydrophobicContact CG1-CG2 4.03Å; I306-V308 HydrophobicContact CG2-CG2 4.31Å; I306-F362 HydrophobicContact CD1-CD1 3.5Å; I306-F362 VanDerWaalsContact CD1-CD1 3.5Å; I306-F362 HydrophobicContact CD1-CE1 3.88Å; I306-F362 HydrophobicContact CG1-CD1 3.83Å; I306-S363 CarbonylContact C-O 3.48Å; I306-L364 HydrophobicContact CB-CD1 3.87Å; I306-L364 HydrophobicContact CG1-CD1 4.29Å |
| 307 | F | 69.9 | Low | 62.9 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.6 | 173.5 | -62.5 | -87.5 | 0 | 0 | 0 | 107.6 | L287 Q288 R289 K305 F362 S363 R365 | L287-F307 HydrophobicContact CD1-CB 4.23Å; Q288-F307 CarbonylContact O-C 3.53Å; Q288-F307 WeakPolarHBondContact O-CA 3.48Å; R289-F307 HydrophobicContact CB-CD1 3.63Å; R289-F307 HydrophobicContact CB-CE1 3.75Å; K305-F307 HydrophobicContact CB-CE2 4.34Å; F307-F362 CarbonylContact O-C 3.53Å; F307-F362 WeakPolarHBondContact O-CA 3.34Å; F307-S363 WeakPolarHBondContact CA-O 3.35Å; F307-S363 WeakPolarHBondContact CB-O 3.45Å; F307-S363 VanDerWaalsContact CD2-O 3.24Å; F307-S363 WeakPolarHBondContact CD2-O 3.21Å; F307-S363 PolarHBondContact N-O 3.04Å; F307-S363 PolarHBondContact O-N 2.8Å; F307-R365 HydrophobicContact CE2-CB 4.42Å; F307-R365 HydrophobicContact CE2-CG 4.16Å |
| 308 | V | 72.9 | Confident | 61.6 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 113 | -171.1 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | F255 Q288 F290 I306 V310 V360 Y361 F362 | F255-V308 HydrophobicContact CE1-CG1 4.18Å; F255-V308 HydrophobicContact CE1-CG2 4.38Å; F255-V308 HydrophobicContact CE2-CG2 4.37Å; F255-V308 HydrophobicContact CZ-CG1 3.91Å; F255-V308 HydrophobicContact CZ-CG2 4.2Å; Q288-V308 WeakPolarHBondContact CA-O 3.19Å; Q288-V308 HydrophobicContact CB-CB 4.43Å; Q288-V308 VanDerWaalsContact CB-O 3.29Å; Q288-V308 WeakPolarHBondContact CB-O 3.24Å; Q288-V308 PolarHBondContact N-O 3.14Å; Q288-V308 PolarHBondContact O-N 3.27Å; F290-V308 HydrophobicContact CD2-CB 4.16Å; F290-V308 HydrophobicContact CD2-CG2 3.64Å; F290-V308 HydrophobicContact CE2-CB 3.77Å; F290-V308 HydrophobicContact CE2-CG1 4.47Å; F290-V308 HydrophobicContact CE2-CG2 3.74Å; I306-V308 HydrophobicContact CD1-CG2 4.43Å; I306-V308 HydrophobicContact CG1-CG2 4.03Å; I306-V308 HydrophobicContact CG2-CG2 4.31Å; V308-V310 HydrophobicContact CG1-CG2 3.8Å; V308-V310 PolarHBondContact O-N 2.86Å; V308-V360 HydrophobicContact CG1-CB 4.37Å; V308-V360 HydrophobicContact CG1-CG1 3.13Å; V308-Y361 CarbonylContact C-O 3.36Å; V308-Y361 WeakPolarHBondContact CA-O 3.46Å; V308-F362 HydrophobicContact CB-CE1 4.49Å; V308-F362 HydrophobicContact CG1-CD1 4.42Å; V308-F362 HydrophobicContact CG1-CE1 4.01Å; V308-F362 HydrophobicContact CG2-CD1 3.76Å; V308-F362 HydrophobicContact CG2-CE1 3.74Å |
| 309 | E | 67.1 | Low | 60.2 | Low | 61 Ų | 61 | 68.9 Ų | 68.9 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 113.9 | 176 | -169.6 | -176.4 | -176.8 | 0 | 0 | 111.2 | P286 L287 V360 Y361 | P286-E309 HydrophobicContact CB-CG 3.74Å; P286-E309 CarbonylContact O-C 3.58Å; P286-E309 WeakPolarHBondContact O-CA 3.43Å; L287-E309 HydrophobicContact CD1-CB 4.02Å; E309-V360 CarbonylContact O-C 3.51Å; E309-V360 WeakPolarHBondContact O-CA 3.39Å; E309-Y361 HydrophobicContact CB-CD2 3.58Å; E309-Y361 HydrophobicContact CB-CG 3.82Å; E309-Y361 HydrophobicContact CG-CD2 4.01Å; E309-Y361 PolarHBondContact N-O 2.88Å; E309-Y361 PolarHBondContact O-N 2.85Å; E309-Y361 WeakPolarHBondContact OE2-CD2 3.42Å |
| 310 | V | 67.4 | Low | 58.9 | Low | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.1 | -173.5 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | L280 P286 Q288 V308 P312 T358 F359 | L280-V310 HydrophobicContact CD1-CB 4.22Å; L280-V310 HydrophobicContact CD1-CG1 3.89Å; L280-V310 HydrophobicContact CD1-CG2 3.6Å; L280-V310 HydrophobicContact CD2-CG1 3.86Å; L280-V310 HydrophobicContact CG-CG1 3.78Å; L280-V310 HydrophobicContact CG-CG2 4.42Å; P286-V310 WeakPolarHBondContact CA-O 3.24Å; P286-V310 PolarHBondContact O-N 3.47Å; Q288-V310 HydrophobicContact CG-CG2 4.13Å; V308-V310 HydrophobicContact CG1-CG2 3.8Å; V308-V310 PolarHBondContact O-N 2.86Å; V310-P312 WeakPolarHBondContact O-CD 3.42Å; V310-T358 HydrophobicContact CG1-CG2 3.31Å; V310-F359 CarbonylContact C-O 3.57Å; V310-F359 WeakPolarHBondContact CA-O 3.46Å |
| 311 | C | 63 | Low | 57.8 | Low | 39 Ų | 39 | 66.5 Ų | 66.5 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 100.5 | -179.9 | -73.7 | 0 | 0 | 0 | 0 | 110.8 | V313 F359 | C311-V313 PolarHBondContact O-N 2.8Å; C311-F359 HydrophobicContact CB-CB 4.2Å; C311-F359 PolarHBondContact N-O 3.4Å; C311-F359 PolarHBondContact O-N 2.8Å; C311-F359 VanDerWaalsContact O-N 3.09Å |
| 312 | P | 58.9 | Low | 57 | Low | 38 Ų | 38 | 65.8 Ų | 65.8 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.1 | 171.8 | -10.7 | 25.6 | 0 | 0 | 0 | 110.2 | V310 R314 R315 | V310-P312 WeakPolarHBondContact O-CD 3.42Å; P312-R314 PolarHBondContact O-N 2.84Å; P312-R314 VanDerWaalsContact O-N 3.12Å; P312-R315 PolarHBondContact O-N 3.17Å |
| 313 | V | 51.3 | Low | 56 | Low | 39 Ų | 39 | 67.9 Ų | 67.9 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -22.9 | -177.1 | 174.9 | 0 | 0 | 0 | 0 | 112.9 | C311 R315 Y316 L317 L357 F359 | C311-V313 PolarHBondContact O-N 2.8Å; V313-R315 VanDerWaalsContact C-N 3.25Å; V313-R315 PolarHBondContact O-N 3.25Å; V313-Y316 PolarHBondContact O-N 3.25Å; V313-Y316 VanDerWaalsContact O-N 3.08Å; V313-L317 HydrophobicContact CG1-CD1 4.37Å; V313-L317 HydrophobicContact CG1-CG 4.4Å; V313-L317 PolarHBondContact O-N 3.25Å; V313-L357 HydrophobicContact CB-CB 4.08Å; V313-L357 WeakPolarHBondContact CB-O 3.34Å; V313-L357 HydrophobicContact CG2-CB 3.74Å; V313-L357 WeakPolarHBondContact CG2-O 3.31Å; V313-L357 PolarHBondContact N-O 2.94Å; V313-F359 HydrophobicContact CG2-CD2 3.86Å; V313-F359 HydrophobicContact CG2-CE2 3.48Å; V313-F359 VanDerWaalsContact CG2-CE2 3.48Å |
| 314 | R | 48 | Very low | 55.1 | Low | 120 Ų | 120 | 68.9 Ų | 68.9 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.2 | -43.9 | 175.3 | -159.2 | -163.5 | -165.1 | 152.6 | 1.2 | 111.9 | P312 Y316 L317 D318 F356 | P312-R314 PolarHBondContact O-N 2.84Å; P312-R314 VanDerWaalsContact O-N 3.12Å; R314-Y316 VanDerWaalsContact C-N 3.3Å; R314-Y316 PolarHBondContact O-N 2.95Å; R314-L317 PolarHBondContact O-N 3.36Å; R314-D318 PolarHBondContact O-N 2.83Å; R314-F356 HydrophobicContact CB-CD1 4.2Å; R314-F356 HydrophobicContact CB-CE1 4.33Å; R314-F356 HydrophobicContact CG-CD1 4.42Å; R314-F356 HydrophobicContact CG-CE1 4.05Å |
| 315 | R | 46 | Very low | 54 | Low | 127 Ų | 127 | 70 Ų | 70 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.2 | -32.7 | -178.2 | -71.3 | -169.3 | -176.7 | 165.5 | 8.9 | 112.2 | M283 P312 V313 S319 | M283-R315 PolarHBondContact O-NH2 3.25Å; P312-R315 PolarHBondContact O-N 3.17Å; V313-R315 VanDerWaalsContact C-N 3.25Å; V313-R315 PolarHBondContact O-N 3.25Å; R315-S319 WeakPolarHBondContact O-CB 3.3Å; R315-S319 PolarHBondContact O-N 3.48Å |
| 316 | Y | 42.4 | Very low | 53.2 | Low | 182 Ų | 182 | 69.7 Ų | 69.7 | 71% | 0.714 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.3 | -44.3 | -179.2 | -124.2 | -84.8 | 0 | 0 | 0 | 111.6 | V313 R314 W320 | V313-Y316 PolarHBondContact O-N 3.25Å; V313-Y316 VanDerWaalsContact O-N 3.08Å; R314-Y316 VanDerWaalsContact C-N 3.3Å; R314-Y316 PolarHBondContact O-N 2.95Å; Y316-W320 WeakPolarHBondContact O-CB 3.26Å; Y316-W320 PolarHBondContact O-N 2.85Å |
| 317 | L | 42.8 | Very low | 52.2 | Low | 57 Ų | 57 | 72.6 Ų | 72.6 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 174.3 | -67.5 | 173.9 | 0 | 0 | 0 | 109.4 | V313 R314 S319 W320 F321 I351 | V313-L317 HydrophobicContact CG1-CD1 4.37Å; V313-L317 HydrophobicContact CG1-CG 4.4Å; V313-L317 PolarHBondContact O-N 3.25Å; R314-L317 PolarHBondContact O-N 3.36Å; L317-S319 PolarHBondContact O-N 2.77Å; L317-W320 PolarHBondContact O-N 2.95Å; L317-F321 HydrophobicContact CB-CD2 4.3Å; L317-F321 HydrophobicContact CD2-CD2 4.5Å; L317-F321 HydrophobicContact CD2-CE2 4.17Å; L317-F321 WeakPolarHBondContact O-CB 3.36Å; L317-F321 WeakPolarHBondContact O-CD2 3.5Å; L317-F321 PolarHBondContact O-N 2.61Å; L317-I351 HydrophobicContact CD1-CD1 4.26Å; L317-I351 HydrophobicContact CD1-CG1 4.39Å; L317-I351 HydrophobicContact CD1-CG2 4.43Å |
| 318 | D | 45.4 | Very low | 51 | Low | 78 Ų | 78 | 77.6 Ų | 77.6 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | -179.1 | -68.7 | -25 | 0 | 0 | 0 | 112.8 | R314 M322 | R314-D318 PolarHBondContact O-N 2.83Å; D318-M322 WeakPolarHBondContact O-CB 3.31Å; D318-M322 WeakPolarHBondContact O-CG 3.4Å; D318-M322 PolarHBondContact O-N 3.38Å |
| 319 | S | 47 | Very low | 49.7 | Very low | 82 Ų | 82 | 81.3 Ų | 81.3 | 57% | 0.573 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.3 | -47.1 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 113.1 | R315 L317 F321 M322 S323 | R315-S319 WeakPolarHBondContact O-CB 3.3Å; R315-S319 PolarHBondContact O-N 3.48Å; L317-S319 PolarHBondContact O-N 2.77Å; S319-F321 VanDerWaalsContact C-N 3.32Å; S319-M322 PolarHBondContact O-N 3.21Å; S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 2.71Å |
| 320 | W | 39.8 | Very low | 49 | Very low | 153 Ų | 153 | 82.3 Ų | 82.3 | 58% | 0.58 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 177.6 | -178.9 | 79.5 | 0 | 0 | 0 | 110.9 | Y316 L317 T324 | Y316-W320 WeakPolarHBondContact O-CB 3.26Å; Y316-W320 PolarHBondContact O-N 2.85Å; L317-W320 PolarHBondContact O-N 2.95Å; W320-T324 WeakPolarHBondContact O-CB 3.47Å; W320-T324 PolarHBondContact O-N 2.88Å; W320-T324 PolarHBondContact O-OG1 3.2Å |
| 321 | F | 46.3 | Very low | 48.2 | Very low | 50 Ų | 50 | 91.4 Ų | 91.4 | 22% | 0.219 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.5 | -48.9 | 173 | -92.7 | -96.5 | 0 | 0 | 0 | 111.7 | L317 S319 S323 T324 L325 L347 | L317-F321 HydrophobicContact CB-CD2 4.3Å; L317-F321 HydrophobicContact CD2-CD2 4.5Å; L317-F321 HydrophobicContact CD2-CE2 4.17Å; L317-F321 WeakPolarHBondContact O-CB 3.36Å; L317-F321 WeakPolarHBondContact O-CD2 3.5Å; L317-F321 PolarHBondContact O-N 2.61Å; S319-F321 VanDerWaalsContact C-N 3.32Å; F321-S323 VanDerWaalsContact C-N 3.29Å; F321-S323 PolarHBondContact O-N 3.05Å; F321-T324 PolarHBondContact O-N 3.11Å; F321-T324 VanDerWaalsContact O-N 3.15Å; F321-L325 WeakPolarHBondContact O-CB 3.28Å; F321-L325 VanDerWaalsContact O-CG 3.24Å; F321-L325 WeakPolarHBondContact O-CG 3.38Å; F321-L325 PolarHBondContact O-N 3.03Å; F321-L347 HydrophobicContact CE1-CD1 4.37Å; F321-L347 HydrophobicContact CZ-CD1 4.31Å |
| 322 | M | 48.7 | Very low | 47.7 | Very low | 126 Ų | 126 | 93 Ų | 93 | 62% | 0.621 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | 179.5 | -73.6 | -65.6 | 131.5 | 0 | 0 | 112.3 | D318 S319 L325 S326 | D318-M322 WeakPolarHBondContact O-CB 3.31Å; D318-M322 WeakPolarHBondContact O-CG 3.4Å; D318-M322 PolarHBondContact O-N 3.38Å; S319-M322 PolarHBondContact O-N 3.21Å; M322-L325 HydrophobicContact CE-CD1 4.15Å; M322-S326 PolarHBondContact O-N 2.75Å; M322-S326 VanDerWaalsContact O-N 3.09Å; M322-S326 PolarHBondContact O-OG 3.2Å |
| 323 | S | 48.3 | Very low | 47.9 | Very low | 75 Ų | 75 | 97.2 Ų | 97.2 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 173.1 | 156.5 | 0 | 0 | 0 | 0 | 112.7 | S319 F321 L325 S326 G327 | S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 2.71Å; F321-S323 VanDerWaalsContact C-N 3.29Å; F321-S323 PolarHBondContact O-N 3.05Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-S326 PolarHBondContact O-OG 3.04Å; S323-G327 PolarHBondContact O-N 3.05Å |
| 324 | T | 46.2 | Very low | 48.4 | Very low | 50 Ų | 50 | 103.7 Ų | 103.7 | 31% | 0.307 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | W320 F321 Q328 | W320-T324 WeakPolarHBondContact O-CB 3.47Å; W320-T324 PolarHBondContact O-N 2.88Å; W320-T324 PolarHBondContact O-OG1 3.2Å; F321-T324 PolarHBondContact O-N 3.11Å; F321-T324 VanDerWaalsContact O-N 3.15Å; T324-Q328 PolarHBondContact O-N 3.13Å |
| 325 | L | 44.4 | Very low | 48.7 | Very low | 38 Ų | 38 | 104.2 Ų | 104.2 | 20% | 0.199 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -66.7 | -49 | 178.1 | -71 | 172.9 | 0 | 0 | 0 | 111.7 | F321 M322 S323 G327 Q328 F329 | F321-L325 WeakPolarHBondContact O-CB 3.28Å; F321-L325 VanDerWaalsContact O-CG 3.24Å; F321-L325 WeakPolarHBondContact O-CG 3.38Å; F321-L325 PolarHBondContact O-N 3.03Å; M322-L325 HydrophobicContact CE-CD1 4.15Å; S323-L325 VanDerWaalsContact C-N 3.34Å; L325-G327 PolarHBondContact O-N 3.44Å; L325-Q328 PolarHBondContact O-N 2.72Å; L325-F329 HydrophobicContact CB-CD2 3.87Å; L325-F329 HydrophobicContact CB-CE2 3.52Å; L325-F329 HydrophobicContact CD1-CE2 4.4Å; L325-F329 HydrophobicContact CD2-CD2 4.21Å; L325-F329 HydrophobicContact CD2-CE2 3.15Å; L325-F329 HydrophobicContact CD2-CZ 3.4Å; L325-F329 HydrophobicContact CG-CE2 3.78Å; L325-F329 HydrophobicContact CG-CZ 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.19Å; L325-F329 PolarHBondContact O-N 3.17Å |
| 326 | S | 50.6 | Low | 49.1 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 70% | 0.699 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -29.6 | -178.8 | 62 | 0 | 0 | 0 | 0 | 113.2 | M322 S323 | M322-S326 PolarHBondContact O-N 2.75Å; M322-S326 VanDerWaalsContact O-N 3.09Å; M322-S326 PolarHBondContact O-OG 3.2Å; S323-S326 PolarHBondContact O-OG 3.04Å |
| 327 | G | 49.5 | Very low | 49.8 | Very low | 61 Ų | 61 | 97.9 Ų | 97.9 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -77.4 | -32.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S323 L325 | S323-G327 PolarHBondContact O-N 3.05Å; L325-G327 PolarHBondContact O-N 3.44Å |
| 328 | Q | 45.6 | Very low | 50.6 | Low | 145 Ų | 145 | 100.1 Ų | 100.1 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -101.3 | -16.5 | -171.7 | -73.5 | -172.3 | -8.6 | 0 | 0 | 115.1 | T324 L325 A330 | T324-Q328 PolarHBondContact O-N 3.13Å; L325-Q328 PolarHBondContact O-N 2.72Å; Q328-A330 PolarHBondContact O-N 3.48Å; Q328-A330 VanDerWaalsContact O-N 3.16Å |
| 329 | F | 44.7 | Very low | 51.1 | Low | 78 Ų | 78 | 101 Ų | 101 | 34% | 0.342 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -1.1 | -174.6 | -80.8 | -55.3 | 0 | 0 | 0 | 116.3 | L325 F331 M332 L337 S340 | L325-F329 HydrophobicContact CB-CD2 3.87Å; L325-F329 HydrophobicContact CB-CE2 3.52Å; L325-F329 HydrophobicContact CD1-CE2 4.4Å; L325-F329 HydrophobicContact CD2-CD2 4.21Å; L325-F329 HydrophobicContact CD2-CE2 3.15Å; L325-F329 HydrophobicContact CD2-CZ 3.4Å; L325-F329 HydrophobicContact CG-CE2 3.78Å; L325-F329 HydrophobicContact CG-CZ 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.19Å; L325-F329 PolarHBondContact O-N 3.17Å; F329-F331 PolarHBondContact O-N 2.82Å; F329-M332 HydrophobicContact CD1-CE 4.32Å; F329-M332 HydrophobicContact CE1-CE 4.04Å; F329-L337 HydrophobicContact CD1-CD1 3.83Å; F329-L337 HydrophobicContact CE1-CD1 3.65Å; F329-L337 HydrophobicContact CZ-CD1 4.48Å; F329-S340 WeakPolarHBondContact CZ-OG 3.1Å |
| 330 | A | 51.6 | Low | 51.4 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 67% | 0.669 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q328 | Q328-A330 PolarHBondContact O-N 3.48Å; Q328-A330 VanDerWaalsContact O-N 3.16Å |
| 331 | F | 52.6 | Low | 52.3 | Low | 201 Ų | 201 | 98.9 Ų | 98.9 | 88% | 0.882 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -138.2 | 11.8 | -168.8 | -91.1 | -81.5 | 0 | 0 | 0 | 117.4 | F329 | F329-F331 PolarHBondContact O-N 2.82Š|
| 332 | M | 51.1 | Low | 53.1 | Low | 71 Ų | 71 | 101.5 Ų | 101.5 | 35% | 0.35 | 54% | 0.539 | S | S | . | . | trans | -93.8 | 145.6 | -176.5 | -62.8 | -152.7 | -29.5 | 0 | 0 | 114.7 | F329 E336 | F329-M332 HydrophobicContact CD1-CE 4.32Å; F329-M332 HydrophobicContact CE1-CE 4.04Å; M332-E336 HydrophobicContact CB-CB 4.18Å; M332-E336 HydrophobicContact CE-CB 3.47Å; M332-E336 VanDerWaalsContact CE-CB 3.47Å; M332-E336 WeakPolarHBondContact CE-O 3.37Å; M332-E336 HydrophobicContact SD-CB 3.89Å | ||
| 333 | N | 63.1 | Low | 53.6 | Low | 128 Ų | 128 | 99.6 Ų | 99.6 | 68% | 0.684 | 53% | 0.53 | S | S | * | . | trans | -74.6 | 160.6 | 173.1 | -74.8 | -25.5 | 0 | 0 | 0 | 112.5 | I335 E336 L337 | N333-I335 VanDerWaalsContact C-N 3.29Å; N333-I335 PolarHBondContact O-N 3.23Å; N333-I335 VanDerWaalsContact O-N 3.16Å; N333-E336 PolarHBondContact O-N 3.03Å; N333-E336 VanDerWaalsContact O-N 3.09Å; N333-L337 PolarHBondContact O-N 3.43Å; N333-L337 VanDerWaalsContact O-N 3.08Å | ||
| 334 | E | 62.8 | Low | 53.8 | Low | 174 Ų | 174 | 97.6 Ų | 97.6 | 81% | 0.813 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54.6 | -35.9 | -175.3 | -77 | -170.6 | 158.7 | 0 | 0 | 114.8 | L337 L338 | E334-L337 PolarHBondContact O-N 3.45Å; E334-L338 PolarHBondContact O-N 3.29Å |
| 335 | I | 54.7 | Low | 54.2 | Low | 131 Ų | 131 | 97.9 Ų | 97.9 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.6 | -41.3 | 179.1 | -68.3 | -169.5 | 0 | 0 | 0 | 111.5 | N333 L337 L338 L339 | N333-I335 VanDerWaalsContact C-N 3.29Å; N333-I335 PolarHBondContact O-N 3.23Å; N333-I335 VanDerWaalsContact O-N 3.16Å; I335-L337 VanDerWaalsContact C-N 3.31Å; I335-L337 PolarHBondContact O-N 2.78Å; I335-L338 PolarHBondContact O-N 2.85Å; I335-L339 HydrophobicContact CG2-CD1 4.3Å; I335-L339 PolarHBondContact O-N 2.85Å |
| 336 | E | 54 | Low | 54.7 | Low | 104 Ų | 104 | 98.9 Ų | 98.9 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68 | -35 | 176.7 | -67.2 | -172.4 | 148.2 | 0 | 0 | 111 | M332 N333 L338 L339 S340 | M332-E336 HydrophobicContact CB-CB 4.18Å; M332-E336 HydrophobicContact CE-CB 3.47Å; M332-E336 VanDerWaalsContact CE-CB 3.47Å; M332-E336 WeakPolarHBondContact CE-O 3.37Å; M332-E336 HydrophobicContact SD-CB 3.89Å; N333-E336 PolarHBondContact O-N 3.03Å; N333-E336 VanDerWaalsContact O-N 3.09Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.05Å; E336-L339 PolarHBondContact O-N 2.86Å; E336-S340 VanDerWaalsContact O-CB 3.28Å; E336-S340 WeakPolarHBondContact O-CB 3.37Å; E336-S340 PolarHBondContact O-N 3.36Å |
| 337 | L | 56.3 | Low | 54.6 | Low | 73 Ų | 73 | 97.2 Ų | 97.2 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.3 | -168.7 | 74.3 | 0 | 0 | 0 | 111.3 | F329 N333 E334 I335 R341 | F329-L337 HydrophobicContact CD1-CD1 3.83Å; F329-L337 HydrophobicContact CE1-CD1 3.65Å; F329-L337 HydrophobicContact CZ-CD1 4.48Å; N333-L337 PolarHBondContact O-N 3.43Å; N333-L337 VanDerWaalsContact O-N 3.08Å; E334-L337 PolarHBondContact O-N 3.45Å; I335-L337 VanDerWaalsContact C-N 3.31Å; I335-L337 PolarHBondContact O-N 2.78Å; L337-R341 VanDerWaalsContact O-CG 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.35Å; L337-R341 PolarHBondContact O-N 3.4Å |
| 338 | L | 60.6 | Low | 54.7 | Low | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 177.1 | -161.2 | 84.9 | 0 | 0 | 0 | 111.8 | E334 I335 E336 S340 R341 I342 | E334-L338 PolarHBondContact O-N 3.29Å; I335-L338 PolarHBondContact O-N 2.85Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.05Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.47Å; L338-R341 PolarHBondContact O-N 3.37Å; L338-I342 HydrophobicContact CD2-CD1 4.32Å; L338-I342 HydrophobicContact CG-CD1 4.23Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 2.81Å |
| 339 | L | 55.9 | Low | 54.7 | Low | 96 Ų | 96 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.4 | -109.7 | 144.8 | 0 | 0 | 0 | 111.4 | I335 E336 R341 I342 I343 | I335-L339 HydrophobicContact CG2-CD1 4.3Å; I335-L339 PolarHBondContact O-N 2.85Å; E336-L339 PolarHBondContact O-N 2.86Å; L339-R341 PolarHBondContact O-N 3.32Å; L339-I342 PolarHBondContact O-N 3.34Å; L339-I343 HydrophobicContact CD2-CD1 4.06Å; L339-I343 WeakPolarHBondContact O-CB 3.39Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.08Å; L339-I343 PolarHBondContact O-N 3.45Å |
| 340 | S | 53.3 | Low | 54.7 | Low | 23 Ų | 23 | 106.4 Ų | 106.4 | 16% | 0.161 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | F329 E336 L338 I342 I343 N344 | F329-S340 WeakPolarHBondContact CZ-OG 3.1Å; E336-S340 VanDerWaalsContact O-CB 3.28Å; E336-S340 WeakPolarHBondContact O-CB 3.37Å; E336-S340 PolarHBondContact O-N 3.36Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.47Å; S340-I342 VanDerWaalsContact C-N 3.34Å; S340-I342 PolarHBondContact O-N 3.4Å; S340-I343 PolarHBondContact O-N 2.76Å; S340-N344 WeakPolarHBondContact O-CB 3.36Å; S340-N344 PolarHBondContact O-N 2.97Å; S340-N344 PolarHBondContact O-ND2 2.78Å; S340-N344 PolarHBondContact OG-ND2 2.75Å |
| 341 | R | 57.6 | Low | 54.3 | Low | 169 Ų | 169 | 104.2 Ų | 104.2 | 64% | 0.638 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -38.8 | 176.9 | -73.5 | 173.3 | 70.8 | 176.1 | 3.3 | 113.1 | L337 L338 L339 A345 | L337-R341 VanDerWaalsContact O-CG 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.35Å; L337-R341 PolarHBondContact O-N 3.4Å; L338-R341 PolarHBondContact O-N 3.37Å; L339-R341 PolarHBondContact O-N 3.32Å; R341-A345 WeakPolarHBondContact O-CB 3.32Å; R341-A345 PolarHBondContact O-N 3.23Å |
| 342 | I | 64.1 | Low | 53.8 | Low | 104 Ų | 104 | 99.6 Ų | 99.6 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.8 | -47.6 | 178.7 | -67.1 | 165.2 | 0 | 0 | 0 | 110.8 | L338 L339 S340 N344 A345 A346 | L338-I342 HydrophobicContact CD2-CD1 4.32Å; L338-I342 HydrophobicContact CG-CD1 4.23Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 2.81Å; L339-I342 PolarHBondContact O-N 3.34Å; S340-I342 VanDerWaalsContact C-N 3.34Å; S340-I342 PolarHBondContact O-N 3.4Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 2.83Å; I342-A345 PolarHBondContact O-N 2.83Å; I342-A346 WeakPolarHBondContact O-CB 3.41Å; I342-A346 PolarHBondContact O-N 2.83Å |
| 343 | I | 59.1 | Low | 53.4 | Low | 87 Ų | 87 | 102 Ų | 102 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175.8 | -69.2 | 166.8 | 0 | 0 | 0 | 109.8 | L339 S340 A346 L347 | L339-I343 HydrophobicContact CD2-CD1 4.06Å; L339-I343 WeakPolarHBondContact O-CB 3.39Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.08Å; L339-I343 PolarHBondContact O-N 3.45Å; S340-I343 PolarHBondContact O-N 2.76Å; I343-A346 PolarHBondContact O-N 2.86Å; I343-L347 HydrophobicContact CG2-CD1 3.76Å; I343-L347 VanDerWaalsContact O-CB 3.31Å; I343-L347 WeakPolarHBondContact O-CB 3.34Å; I343-L347 PolarHBondContact O-N 2.88Å |
| 344 | N | 52.2 | Low | 52.2 | Low | 32 Ų | 32 | 98.1 Ų | 98.1 | 17% | 0.171 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.7 | -70.9 | -27.9 | 0 | 0 | 0 | 112.3 | S340 I342 A346 L347 I348 | S340-N344 WeakPolarHBondContact O-CB 3.36Å; S340-N344 PolarHBondContact O-N 2.97Å; S340-N344 PolarHBondContact O-ND2 2.78Å; S340-N344 PolarHBondContact OG-ND2 2.75Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 2.83Å; N344-A346 VanDerWaalsContact C-N 3.27Å; N344-A346 PolarHBondContact O-N 2.78Å; N344-L347 PolarHBondContact O-N 2.8Å; N344-I348 VanDerWaalsContact O-CB 3.27Å; N344-I348 WeakPolarHBondContact O-CB 3.46Å; N344-I348 WeakPolarHBondContact O-CG1 3.39Å; N344-I348 PolarHBondContact O-N 3.36Å |
| 345 | A | 55.2 | Low | 51 | Low | 56 Ų | 56 | 96 Ų | 96 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R341 I342 R349 | R341-A345 WeakPolarHBondContact O-CB 3.32Å; R341-A345 PolarHBondContact O-N 3.23Å; I342-A345 PolarHBondContact O-N 2.83Å; A345-R349 WeakPolarHBondContact O-CB 3.29Å; A345-R349 PolarHBondContact O-N 2.92Å |
| 346 | A | 54.2 | Low | 50.4 | Low | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I342 I343 N344 R349 Y350 | I342-A346 WeakPolarHBondContact O-CB 3.41Å; I342-A346 PolarHBondContact O-N 2.83Å; I343-A346 PolarHBondContact O-N 2.86Å; N344-A346 VanDerWaalsContact C-N 3.27Å; N344-A346 PolarHBondContact O-N 2.78Å; A346-R349 PolarHBondContact O-N 2.81Å; A346-Y350 WeakPolarHBondContact O-CB 3.43Å; A346-Y350 PolarHBondContact O-N 3.47Å |
| 347 | L | 49.2 | Very low | 49.7 | Very low | 65 Ų | 65 | 90.6 Ų | 90.6 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 176.8 | -93.5 | 159.3 | 0 | 0 | 0 | 111.9 | F321 I343 N344 R349 Y350 I351 | F321-L347 HydrophobicContact CE1-CD1 4.37Å; F321-L347 HydrophobicContact CZ-CD1 4.31Å; I343-L347 HydrophobicContact CG2-CD1 3.76Å; I343-L347 VanDerWaalsContact O-CB 3.31Å; I343-L347 WeakPolarHBondContact O-CB 3.34Å; I343-L347 PolarHBondContact O-N 2.88Å; N344-L347 PolarHBondContact O-N 2.8Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.91Å; L347-Y350 CarbonylContact O-C 3.49Å; L347-Y350 PolarHBondContact O-N 3.1Å; L347-Y350 VanDerWaalsContact O-N 3.12Å; L347-I351 VanDerWaalsContact O-CB 3.32Å; L347-I351 WeakPolarHBondContact O-CB 3.5Å; L347-I351 WeakPolarHBondContact O-CG1 3.42Å; L347-I351 PolarHBondContact O-N 2.85Å |
| 348 | I | 50.6 | Low | 48.8 | Very low | 108 Ų | 108 | 87.6 Ų | 87.6 | 55% | 0.554 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 173.3 | -69.9 | 166.1 | 0 | 0 | 0 | 109.4 | N344 I351 N352 | N344-I348 VanDerWaalsContact O-CB 3.27Å; N344-I348 WeakPolarHBondContact O-CB 3.46Å; N344-I348 WeakPolarHBondContact O-CG1 3.39Å; N344-I348 PolarHBondContact O-N 3.36Å; I348-I351 PolarHBondContact O-N 3.38Å; I348-N352 VanDerWaalsContact O-CB 3.3Å; I348-N352 WeakPolarHBondContact O-CB 3.18Å; I348-N352 PolarHBondContact O-N 2.74Å |
| 349 | R | 46.8 | Very low | 47.8 | Very low | 199 Ų | 199 | 85.9 Ų | 85.9 | 75% | 0.751 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 171.6 | -94 | -178.4 | 173.1 | 169.4 | -1 | 111.5 | A345 A346 L347 I351 N352 V353 | A345-R349 WeakPolarHBondContact O-CB 3.29Å; A345-R349 PolarHBondContact O-N 2.92Å; A346-R349 PolarHBondContact O-N 2.81Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.91Å; R349-I351 VanDerWaalsContact C-N 3.34Å; R349-I351 PolarHBondContact O-N 2.77Å; R349-N352 PolarHBondContact O-N 2.91Å; R349-V353 WeakPolarHBondContact O-CB 3.28Å; R349-V353 WeakPolarHBondContact O-CG2 3.47Å; R349-V353 PolarHBondContact O-N 2.85Å |
| 350 | Y | 43.4 | Very low | 46.9 | Very low | 170 Ų | 170 | 81.3 Ų | 81.3 | 67% | 0.667 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 178.8 | -164 | -93.3 | 0 | 0 | 0 | 111.5 | A346 L347 V353 S354 | A346-Y350 WeakPolarHBondContact O-CB 3.43Å; A346-Y350 PolarHBondContact O-N 3.47Å; L347-Y350 CarbonylContact O-C 3.49Å; L347-Y350 PolarHBondContact O-N 3.1Å; L347-Y350 VanDerWaalsContact O-N 3.12Å; Y350-V353 CarbonylContact O-C 3.4Å; Y350-V353 PolarHBondContact O-N 2.96Å; Y350-S354 VanDerWaalsContact O-CB 3.26Å; Y350-S354 WeakPolarHBondContact O-CB 3.2Å; Y350-S354 PolarHBondContact O-N 3.37Å |
| 351 | I | 43.5 | Very low | 46 | Very low | 35 Ų | 35 | 83.8 Ų | 83.8 | 18% | 0.179 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 177.3 | -68.1 | 164.3 | 0 | 0 | 0 | 111 | L317 L347 I348 R349 V353 S354 | L317-I351 HydrophobicContact CD1-CD1 4.26Å; L317-I351 HydrophobicContact CD1-CG1 4.39Å; L317-I351 HydrophobicContact CD1-CG2 4.43Å; L347-I351 VanDerWaalsContact O-CB 3.32Å; L347-I351 WeakPolarHBondContact O-CB 3.5Å; L347-I351 WeakPolarHBondContact O-CG1 3.42Å; L347-I351 PolarHBondContact O-N 2.85Å; I348-I351 PolarHBondContact O-N 3.38Å; R349-I351 VanDerWaalsContact C-N 3.34Å; R349-I351 PolarHBondContact O-N 2.77Å; I351-V353 PolarHBondContact O-N 3.33Å; I351-S354 WeakPolarHBondContact CA-OG 3.16Å; I351-S354 CarbonylContact O-C 3.23Å; I351-S354 PolarHBondContact O-N 3.48Å; I351-S354 PolarHBondContact O-OG 3.25Å |
| 352 | N | 42.2 | Very low | 45 | Very low | 104 Ų | 104 | 75.9 Ų | 75.9 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65 | -25.7 | 173.4 | -125.7 | -11.4 | 0 | 0 | 0 | 111.8 | I348 R349 | I348-N352 VanDerWaalsContact O-CB 3.3Å; I348-N352 WeakPolarHBondContact O-CB 3.18Å; I348-N352 PolarHBondContact O-N 2.74Å; R349-N352 PolarHBondContact O-N 2.91Å |
| 353 | V | 42.5 | Very low | 43.6 | Very low | 122 Ų | 122 | 72.5 Ų | 72.5 | 74% | 0.739 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -87.3 | -24.1 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 111 | R349 Y350 I351 K355 | R349-V353 WeakPolarHBondContact O-CB 3.28Å; R349-V353 WeakPolarHBondContact O-CG2 3.47Å; R349-V353 PolarHBondContact O-N 2.85Å; Y350-V353 CarbonylContact O-C 3.4Å; Y350-V353 PolarHBondContact O-N 2.96Å; I351-V353 PolarHBondContact O-N 3.33Å; V353-K355 PolarHBondContact O-N 3.44Å |
| 354 | S | 37.8 | Very low | 42.6 | Very low | 47 Ų | 47 | 68.4 Ų | 68.4 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -87.5 | 98.6 | -179.2 | 88.1 | 0 | 0 | 0 | 0 | 111.4 | Y350 I351 | Y350-S354 VanDerWaalsContact O-CB 3.26Å; Y350-S354 WeakPolarHBondContact O-CB 3.2Å; Y350-S354 PolarHBondContact O-N 3.37Å; I351-S354 WeakPolarHBondContact CA-OG 3.16Å; I351-S354 CarbonylContact O-C 3.23Å; I351-S354 PolarHBondContact O-N 3.48Å; I351-S354 PolarHBondContact O-OG 3.25Å |
| 355 | K | 38.5 | Very low | 41.8 | Very low | 128 Ų | 128 | 74.2 Ų | 74.2 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | trans | 12.1 | 110.7 | 148.6 | -60.9 | -177.1 | 175.3 | -170.1 | 0 | 115.6 | V353 L357 | V353-K355 PolarHBondContact O-N 3.44Å; K355-L357 PolarHBondContact O-N 2.85Å | ||
| 356 | F | 41 | Very low | 40.9 | Very low | 76 Ų | 76 | 73.2 Ų | 73.2 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | trans | -62 | 130.3 | 169.2 | -60.8 | -83.4 | 0 | 0 | 0 | 109.9 | L246 R314 | L246-F356 HydrophobicContact CB-CB 4.45Å; L246-F356 PolarHBondContact N-O 3.08Å; R314-F356 HydrophobicContact CB-CD1 4.2Å; R314-F356 HydrophobicContact CB-CE1 4.33Å; R314-F356 HydrophobicContact CG-CD1 4.42Å; R314-F356 HydrophobicContact CG-CE1 4.05Å | ||
| 357 | L | 39.3 | Very low | 39.7 | Very low | 47 Ų | 47 | 72.5 Ų | 72.5 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132 | 176.7 | -60.4 | 172.3 | 0 | 0 | 0 | 108.8 | M243 Q245 V313 K355 | M243-L357 HydrophobicContact CG-CB 4.27Å; M243-L357 HydrophobicContact CG-CD1 4.5Å; M243-L357 HydrophobicContact CG-CD2 3.68Å; M243-L357 HydrophobicContact CG-CG 4.35Å; M243-L357 HydrophobicContact SD-CD1 3.72Å; M243-L357 HydrophobicContact SD-CD2 3.7Å; M243-L357 HydrophobicContact SD-CG 4.17Å; Q245-L357 HydrophobicContact CG-CD2 4.42Å; V313-L357 HydrophobicContact CB-CB 4.08Å; V313-L357 WeakPolarHBondContact CB-O 3.34Å; V313-L357 HydrophobicContact CG2-CB 3.74Å; V313-L357 WeakPolarHBondContact CG2-O 3.31Å; V313-L357 PolarHBondContact N-O 2.94Å; K355-L357 PolarHBondContact O-N 2.85Å |
| 358 | T | 38.9 | Very low | 38.9 | Very low | 9 Ų | 9 | 76.3 Ų | 76.3 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.6 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | L246 L280 V310 V360 | L246-T358 WeakPolarHBondContact CD1-OG1 3.37Å; L280-T358 HydrophobicContact CD2-CG2 4.17Å; V310-T358 HydrophobicContact CG1-CG2 3.31Å; T358-V360 HydrophobicContact CG2-CG2 4.28Å |
| 359 | F | 38.3 | Very low | 38.1 | Very low | 68 Ų | 68 | 75.4 Ų | 75.4 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 150.8 | 169.4 | -66 | -84.3 | 0 | 0 | 0 | 110.8 | F242 M243 V310 C311 V313 | F242-F359 WeakPolarHBondContact O-CA 3.49Å; M243-F359 HydrophobicContact CB-CE1 4.37Å; V310-F359 CarbonylContact C-O 3.57Å; V310-F359 WeakPolarHBondContact CA-O 3.46Å; C311-F359 HydrophobicContact CB-CB 4.2Å; C311-F359 PolarHBondContact N-O 3.4Å; C311-F359 PolarHBondContact O-N 2.8Å; C311-F359 VanDerWaalsContact O-N 3.09Å; V313-F359 HydrophobicContact CG2-CD2 3.86Å; V313-F359 HydrophobicContact CG2-CE2 3.48Å; V313-F359 VanDerWaalsContact CG2-CE2 3.48Å |
| 360 | V | 37.9 | Very low | 37.2 | Very low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 111 | -169.8 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | F244 L253 F255 V308 E309 T358 F362 | F244-V360 HydrophobicContact CD2-CG2 4.34Å; F244-V360 HydrophobicContact CE2-CG2 4.33Å; L253-V360 HydrophobicContact CD2-CG2 4.39Å; F255-V360 HydrophobicContact CE1-CG1 3.8Å; F255-V360 HydrophobicContact CZ-CG1 4.22Å; V308-V360 HydrophobicContact CG1-CB 4.37Å; V308-V360 HydrophobicContact CG1-CG1 3.13Å; E309-V360 CarbonylContact O-C 3.51Å; E309-V360 WeakPolarHBondContact O-CA 3.39Å; T358-V360 HydrophobicContact CG2-CG2 4.28Å; V360-F362 HydrophobicContact CB-CE2 4.39Å; V360-F362 HydrophobicContact CB-CZ 4.22Å; V360-F362 HydrophobicContact CG1-CE1 3.77Å; V360-F362 HydrophobicContact CG1-CE2 3.78Å; V360-F362 HydrophobicContact CG1-CZ 3.23Å |
| 361 | Y | 33.8 | Very low | 36.4 | Very low | 74 Ų | 74 | 71.4 Ų | 71.4 | 29% | 0.29 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 164.7 | 172.5 | -64.5 | -111 | 0 | 0 | 0 | 111.4 | Q241 V308 E309 | Q241-Y361 HydrophobicContact CG-CE1 4.36Å; Q241-Y361 VanDerWaalsContact NE2-CZ 3.3Å; Q241-Y361 PolarHBondContact NE2-OH 3.27Å; V308-Y361 CarbonylContact C-O 3.36Å; V308-Y361 WeakPolarHBondContact CA-O 3.46Å; E309-Y361 HydrophobicContact CB-CD2 3.58Å; E309-Y361 HydrophobicContact CB-CG 3.82Å; E309-Y361 HydrophobicContact CG-CD2 4.01Å; E309-Y361 PolarHBondContact N-O 2.88Å; E309-Y361 PolarHBondContact O-N 2.85Å; E309-Y361 WeakPolarHBondContact OE2-CD2 3.42Å |
| 362 | F | 37.7 | Very low | 35.6 | Very low | 3 Ų | 3 | 77.6 Ų | 77.6 | 1% | 0.013 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.1 | -179.8 | -58.1 | -82.3 | 0 | 0 | 0 | 115.2 | V217 T228 F237 W238 F242 F255 I306 F307 V308 V360 | V217-F362 HydrophobicContact CB-CZ 4.47Å; V217-F362 HydrophobicContact CG1-CZ 4.33Å; V217-F362 HydrophobicContact CG2-CE1 4.23Å; V217-F362 HydrophobicContact CG2-CE2 3.82Å; V217-F362 HydrophobicContact CG2-CZ 3.34Å; T228-F362 HydrophobicContact CG2-CD2 3.99Å; T228-F362 HydrophobicContact CG2-CE2 4.25Å; F237-F362 WeakPolarHBondContact CD2-O 3.49Å; W238-F362 HydrophobicContact CB-CB 4.41Å; W238-F362 HydrophobicContact CE3-CB 3.62Å; W238-F362 HydrophobicContact CZ3-CB 4.27Å; W238-F362 PolarHBondContact N-O 2.96Å; F242-F362 HydrophobicContact CD2-CE2 4.08Å; F242-F362 HydrophobicContact CE2-CE2 4.04Å; F255-F362 AromaticContact CD1-CE1 3.41Å; F255-F362 HydrophobicContact CD1-CE1 3.41Å; F255-F362 VanDerWaalsContact CD1-CE1 3.41Å; F255-F362 AromaticContact CD1-CZ 3.79Å; F255-F362 HydrophobicContact CD1-CZ 3.79Å; F255-F362 AromaticContact CE1-CE1 3.48Å; F255-F362 HydrophobicContact CE1-CE1 3.48Å; F255-F362 VanDerWaalsContact CE1-CE1 3.48Å; F255-F362 AromaticContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CG-CE1 4.38Å; F255-F362 HydrophobicContact CZ-CE1 4.48Å; I306-F362 HydrophobicContact CD1-CD1 3.5Å; I306-F362 VanDerWaalsContact CD1-CD1 3.5Å; I306-F362 HydrophobicContact CD1-CE1 3.88Å; I306-F362 HydrophobicContact CG1-CD1 3.83Å; F307-F362 CarbonylContact O-C 3.53Å; F307-F362 WeakPolarHBondContact O-CA 3.34Å; V308-F362 HydrophobicContact CB-CE1 4.49Å; V308-F362 HydrophobicContact CG1-CD1 4.42Å; V308-F362 HydrophobicContact CG1-CE1 4.01Å; V308-F362 HydrophobicContact CG2-CD1 3.76Å; V308-F362 HydrophobicContact CG2-CE1 3.74Å; V360-F362 HydrophobicContact CB-CE2 4.39Å; V360-F362 HydrophobicContact CB-CZ 4.22Å; V360-F362 HydrophobicContact CG1-CE1 3.77Å; V360-F362 HydrophobicContact CG1-CE2 3.78Å; V360-F362 HydrophobicContact CG1-CZ 3.23Å |
| 363 | S | 33 | Very low | 35 | Very low | 34 Ų | 34 | 76.9 Ų | 76.9 | 24% | 0.238 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.3 | 159 | 158.5 | 0 | 0 | 0 | 0 | 107.8 | I306 F307 | I306-S363 CarbonylContact C-O 3.48Å; F307-S363 WeakPolarHBondContact CA-O 3.35Å; F307-S363 WeakPolarHBondContact CB-O 3.45Å; F307-S363 VanDerWaalsContact CD2-O 3.24Å; F307-S363 WeakPolarHBondContact CD2-O 3.21Å; F307-S363 PolarHBondContact N-O 3.04Å; F307-S363 PolarHBondContact O-N 2.8Å |
| 364 | L | 37.8 | Very low | 34.1 | Very low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.8 | -179.9 | 173.4 | 103.9 | 0 | 0 | 0 | 110.9 | D235 P236 W238 V257 L292 K305 I306 I366 | D235-L364 WeakPolarHBondContact CA-O 3.45Å; P236-L364 VanDerWaalsContact CD-O 3.25Å; P236-L364 WeakPolarHBondContact CD-O 3.4Å; P236-L364 HydrophobicContact CG-CB 3.99Å; P236-L364 HydrophobicContact CG-CD2 3.54Å; P236-L364 HydrophobicContact CG-CG 4.29Å; P236-L364 PolarHBondContact O-N 3.38Å; W238-L364 HydrophobicContact CH2-CB 3.91Å; W238-L364 HydrophobicContact CH2-CD2 3.88Å; W238-L364 HydrophobicContact CH2-CG 4.4Å; W238-L364 HydrophobicContact CZ3-CB 3.55Å; W238-L364 HydrophobicContact CZ3-CD2 4.41Å; W238-L364 HydrophobicContact CZ3-CG 4.46Å; V257-L364 HydrophobicContact CG1-CD1 4.44Å; V257-L364 HydrophobicContact CG1-CD2 4Å; V257-L364 HydrophobicContact CG2-CD1 4.12Å; L292-L364 HydrophobicContact CD1-CD1 3.63Å; L292-L364 HydrophobicContact CG-CD1 4.33Å; K305-L364 WeakPolarHBondContact O-CA 3.18Å; K305-L364 WeakPolarHBondContact O-CD1 2.91Å; I306-L364 HydrophobicContact CB-CD1 3.87Å; I306-L364 HydrophobicContact CG1-CD1 4.29Å; L364-I366 HydrophobicContact CD2-CD1 3.49Å; L364-I366 VanDerWaalsContact CD2-CD1 3.49Å; L364-I366 HydrophobicContact CD2-CG1 3.58Å; L364-I366 HydrophobicContact CG-CD1 4.45Å; L364-I366 HydrophobicContact CG-CG1 4.05Å |
| 365 | R | 35.4 | Very low | 33.3 | Very low | 154 Ų | 154 | 82 Ų | 82 | 58% | 0.581 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111 | 169.7 | -71.8 | -176.4 | -172 | -129.7 | 0.2 | 109.4 | D235 G304 K305 F307 | D235-R365 VanDerWaalsContact OD1-CG 3.24Å; D235-R365 WeakPolarHBondContact OD1-CG 3.05Å; G304-R365 WeakPolarHBondContact CA-O 3.38Å; K305-R365 PolarHBondContact N-O 3.05Å; K305-R365 PolarHBondContact O-N 2.9Å; K305-R365 VanDerWaalsContact O-N 3.07Å; F307-R365 HydrophobicContact CE2-CB 4.42Å; F307-R365 HydrophobicContact CE2-CG 4.16Å |
| 366 | I | 38.2 | Very low | 32.6 | Very low | 36 Ų | 36 | 84.7 Ų | 84.7 | 19% | 0.185 | 45% | 0.452 | C | S | . | . | trans | -100.1 | 94.7 | 165.2 | -63.6 | 172.8 | 0 | 0 | 0 | 107.3 | L270 L364 L369 | L270-I366 HydrophobicContact CB-CD1 4.31Å; L270-I366 HydrophobicContact CD1-CD1 3.73Å; L270-I366 HydrophobicContact CG-CD1 4.45Å; L364-I366 HydrophobicContact CD2-CD1 3.49Å; L364-I366 VanDerWaalsContact CD2-CD1 3.49Å; L364-I366 HydrophobicContact CD2-CG1 3.58Å; L364-I366 HydrophobicContact CG-CD1 4.45Å; L364-I366 HydrophobicContact CG-CG1 4.05Å; I366-L369 HydrophobicContact CG2-CB 4.21Å; I366-L369 HydrophobicContact CG2-CD1 4.4Å | ||
| 367 | G | 28.7 | Very low | 31.7 | Very low | 43 Ų | 43 | 86.2 Ų | 86.2 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | trans | -90 | 140.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S303 | S303-G367 PolarHBondContact OG-O 3.07Š| ||
| 368 | D | 31.7 | Very low | 30.9 | Very low | 146 Ų | 146 | 90.9 Ų | 90.9 | 78% | 0.781 | 49% | 0.493 | S | S | * | . | trans | 61.8 | 57.9 | 170.1 | -54.2 | -37 | 0 | 0 | 0 | 115.5 | S303 A370 | S303-D368 PolarHBondContact OG-O 2.86Å; D368-A370 PolarHBondContact O-N 2.88Å | ||
| 369 | L | 33.6 | Very low | 29.9 | Very low | 88 Ų | 88 | 95.8 Ų | 95.8 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | trans | -70 | 76.1 | 160.3 | -158.9 | 77.7 | 0 | 0 | 0 | 108.4 | L270 I366 K371 | L270-L369 HydrophobicContact CD2-CD1 4.48Å; I366-L369 HydrophobicContact CG2-CB 4.21Å; I366-L369 HydrophobicContact CG2-CD1 4.4Å; L369-K371 PolarHBondContact O-N 3.32Å | ||
| 370 | A | 27.7 | Very low | 29.3 | Very low | 85 Ų | 85 | 101.3 Ų | 101.3 | 70% | 0.702 | 55% | 0.554 | S | S | * | * | trans | -67.1 | 112.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | D368 N372 | D368-A370 PolarHBondContact O-N 2.88Å; A370-N372 PolarHBondContact O-N 3.1Å | ||
| 371 | K | 27.4 | Very low | 28.4 | Very low | 201 Ų | 201 | 108.4 Ų | 108.4 | 87% | 0.874 | 60% | 0.597 | S | S | * | * | trans | -33.9 | 125.7 | 167.1 | -66 | 171.9 | 175.8 | 174.2 | 0 | 111.3 | L369 | L369-K371 PolarHBondContact O-N 3.32Š| ||
| 372 | N | 27.2 | Very low | 27.9 | Very low | 164 Ų | 164 | 109.6 Ų | 109.6 | 88% | 0.877 | 62% | 0.616 | S | S | * | * | trans | -164.5 | 147.6 | 148.3 | -100.2 | -19 | 0 | 0 | 0 | 113.1 | A370 | A370-N372 PolarHBondContact O-N 3.1Š| ||
| 373 | A | 28.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | trans | 74.2 | 89.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 374 | L | 24 | Very low | 27.1 | Very low | 160 Ų | 160 | 119.1 Ų | 119.1 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | 54.7 | 111.3 | 78.3 | -71.4 | 159.2 | 0 | 0 | 0 | 114.1 | |||||
| 375 | S | 21.8 | Very low | 26.7 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | 49.5 | 98.7 | 148.5 | 64.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 376 | Y | 23.1 | Very low | 26.9 | Very low | 185 Ų | 185 | 119.9 Ų | 119.9 | 73% | 0.725 | 70% | 0.704 | S | S | * | * | trans | -122.6 | 117.2 | 145.8 | -162.4 | -114.7 | 0 | 0 | 0 | 108.9 | E378 | Y376-E378 HydrophobicContact CD1-CB 4.4Å; Y376-E378 HydrophobicContact CD1-CG 4.11Å; Y376-E378 HydrophobicContact CE1-CB 4.31Å; Y376-E378 VanDerWaalsContact CE1-CD 3.4Å; Y376-E378 HydrophobicContact CE1-CG 3.54Å; Y376-E378 WeakPolarHBondContact CE1-OE1 3.4Å | ||
| 377 | S | 21 | Very low | 27.3 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -82.3 | 117.6 | 170 | 52.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 378 | E | 23.5 | Very low | 27.9 | Very low | 145 Ų | 145 | 126 Ų | 126 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | -130.7 | 104.8 | 162.2 | -108.9 | 178.7 | -179.9 | 0 | 0 | 108.7 | Y376 | Y376-E378 HydrophobicContact CD1-CB 4.4Å; Y376-E378 HydrophobicContact CD1-CG 4.11Å; Y376-E378 HydrophobicContact CE1-CB 4.31Å; Y376-E378 VanDerWaalsContact CE1-CD 3.4Å; Y376-E378 HydrophobicContact CE1-CG 3.54Å; Y376-E378 WeakPolarHBondContact CE1-OE1 3.4Å | ||
| 379 | S | 18.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -73.7 | 120.6 | 150.3 | 48.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 380 | E | 24 | Very low | 29.4 | Very low | 185 Ų | 185 | 117.8 Ų | 117.8 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | -165.1 | 102.5 | 144.7 | -108.9 | 174.8 | -147.1 | 0 | 0 | 109.7 | S382 | E380-S382 PolarHBondContact O-N 2.94Š| ||
| 381 | T | 20.3 | Very low | 30.7 | Very low | 148 Ų | 148 | 121 Ų | 121 | 91% | 0.908 | 68% | 0.681 | S | S | * | * | trans | -77.2 | 106.9 | 164.5 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 382 | S | 23.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | -124.8 | 118.7 | 159.9 | 64.3 | 0 | 0 | 0 | 0 | 109.6 | E380 A384 | E380-S382 PolarHBondContact O-N 2.94Å; S382-A384 VanDerWaalsContact C-N 3.29Å; S382-A384 PolarHBondContact O-N 3.47Å | ||
| 383 | V | 26 | Very low | 34.6 | Very low | 150 Ų | 150 | 108.5 Ų | 108.5 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | trans | -70.3 | 89 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 106.8 | S385 | V383-S385 PolarHBondContact O-N 3.36Š| ||
| 384 | A | 26.7 | Very low | 36.9 | Very low | 87 Ų | 87 | 107.9 Ų | 107.9 | 72% | 0.719 | 61% | 0.608 | S | S | * | * | trans | -61.9 | 127.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S382 | S382-A384 VanDerWaalsContact C-N 3.29Å; S382-A384 PolarHBondContact O-N 3.47Å | ||
| 385 | S | 31.2 | Very low | 39.6 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | trans | -70.7 | 156.8 | -173.1 | 52 | 0 | 0 | 0 | 0 | 112.9 | V383 E387 S388 | V383-S385 PolarHBondContact O-N 3.36Å; S385-E387 PolarHBondContact O-N 2.89Å; S385-S388 PolarHBondContact O-N 3.22Å; S385-S388 PolarHBondContact O-OG 2.91Å | ||
| 386 | D | 38.7 | Very low | 42.5 | Very low | 97 Ų | 97 | 95 Ų | 95 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -57.7 | -4 | 176.5 | -121.9 | 5 | 0 | 0 | 0 | 113.5 | L389 | D386-L389 PolarHBondContact O-N 3.4Š|
| 387 | E | 46.3 | Very low | 45.5 | Very low | 141 Ų | 141 | 86.2 Ų | 86.2 | 66% | 0.659 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -68.2 | -30.2 | 179.1 | -77.9 | -161.9 | 143.5 | 0 | 0 | 113.1 | S385 L389 | S385-E387 PolarHBondContact O-N 2.89Å; E387-L389 PolarHBondContact O-N 3.5Å |
| 388 | S | 41.1 | Very low | 48.8 | Very low | 65 Ų | 65 | 82 Ų | 82 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -72.3 | -10.6 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 114 | S385 Y390 | S385-S388 PolarHBondContact O-N 3.22Å; S385-S388 PolarHBondContact O-OG 2.91Å; S388-Y390 VanDerWaalsContact C-N 3.35Å; S388-Y390 PolarHBondContact O-N 3.22Å |
| 389 | L | 48.6 | Very low | 51.8 | Low | 11 Ų | 11 | 75.4 Ų | 75.4 | 6% | 0.058 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -69.8 | -28.9 | -176.3 | -115.4 | 88.7 | 0 | 0 | 0 | 113.9 | D386 E387 S393 Y465 K476 | D386-L389 PolarHBondContact O-N 3.4Å; E387-L389 PolarHBondContact O-N 3.5Å; L389-S393 PolarHBondContact O-OG 3.5Å; L389-Y465 HydrophobicContact CD2-CE2 3.83Å; L389-Y465 VanDerWaalsContact CD2-OH 3.28Å; L389-Y465 WeakPolarHBondContact CD2-OH 3.3Å; L389-K476 HydrophobicContact CD1-CB 4.45Å; L389-K476 HydrophobicContact CD2-CB 4.13Å |
| 390 | Y | 49.7 | Very low | 54.9 | Low | 51 Ų | 51 | 76.7 Ų | 76.7 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -85.3 | -12.1 | -174.1 | -56.2 | -68.3 | 0 | 0 | 0 | 113.5 | S388 H392 L395 K429 H431 | S388-Y390 VanDerWaalsContact C-N 3.35Å; S388-Y390 PolarHBondContact O-N 3.22Å; Y390-H392 VanDerWaalsContact C-N 3.28Å; Y390-H392 PolarHBondContact O-N 2.84Å; Y390-L395 HydrophobicContact CD1-CB 4.08Å; Y390-L395 HydrophobicContact CD1-CD1 4.36Å; Y390-L395 HydrophobicContact CD1-CD2 3.8Å; Y390-L395 HydrophobicContact CD1-CG 4.29Å; Y390-L395 HydrophobicContact CE1-CB 4.45Å; Y390-L395 HydrophobicContact CE1-CD1 3.93Å; Y390-L395 HydrophobicContact CE1-CD2 3.52Å; Y390-L395 HydrophobicContact CE1-CG 4.16Å; Y390-K429 PolarHBondContact OH-NZ 2.93Å; Y390-H431 AromaticContact CD1-CE1 3.75Å; Y390-H431 AromaticContact CE1-CE1 3.49Å; Y390-H431 VanDerWaalsContact CE1-CE1 3.49Å; Y390-H431 WeakPolarHBondContact CE1-CE1 3.47Å |
| 391 | Q | 55.1 | Low | 57.6 | Low | 154 Ų | 154 | 69.9 Ų | 69.9 | 72% | 0.72 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -75 | -20.3 | -174.7 | -163.2 | 168.1 | -2.4 | 0 | 0 | 112.9 | ||
| 392 | H | 64.3 | Low | 60.2 | Low | 89 Ų | 89 | 73.1 Ų | 73.1 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -120.2 | 3.8 | -173.7 | -53.7 | -62 | 0 | 0 | 0 | 114 | Y390 F433 Y480 | Y390-H392 VanDerWaalsContact C-N 3.28Å; Y390-H392 PolarHBondContact O-N 2.84Å; H392-F433 WeakPolarHBondContact O-CD2 3.41Å; H392-Y480 VanDerWaalsContact CB-CB 3.47Å; H392-Y480 HydrophobicContact CB-CD1 4.13Å; H392-Y480 HydrophobicContact CB-CD2 3.51Å; H392-Y480 HydrophobicContact CB-CE2 4.25Å; H392-Y480 HydrophobicContact CB-CG 3.44Å; H392-Y480 VanDerWaalsContact CB-CG 3.44Å; H392-Y480 AromaticContact CD2-CD2 3.83Å; H392-Y480 AromaticContact CD2-CE2 3.66Å; H392-Y480 AromaticContact CD2-CZ 3.85Å; H392-Y480 AromaticContact CG-CD2 3.73Å; H392-Y480 AromaticContact CG-CE2 3.99Å |
| 393 | S | 71.7 | Confident | 62.6 | Low | 13 Ų | 13 | 75.3 Ų | 75.3 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -141.1 | 152.7 | 178 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | L389 H431 H479 | L389-S393 PolarHBondContact O-OG 3.5Å; S393-H431 PolarHBondContact OG-ND1 3.18Å; S393-H479 WeakPolarHBondContact CB-NE2 3.47Å; S393-H479 PolarHBondContact OG-NE2 3.44Å |
| 394 | V | 75.3 | Confident | 65.1 | Low | 75 Ų | 75 | 74.7 Ų | 74.7 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.3 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | V396 L409 V432 | V394-V396 HydrophobicContact CG1-CG2 4.24Å; V394-L409 HydrophobicContact CG1-CD1 3.21Å; V394-V432 HydrophobicContact CB-CB 4.22Å; V394-V432 PolarHBondContact N-O 2.84Å; V394-V432 PolarHBondContact O-N 3.45Å |
| 395 | L | 81.9 | Confident | 67.8 | Low | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.1 | 176.2 | 178.5 | 64 | 0 | 0 | 0 | 110.8 | Y390 I397 V410 I424 K429 | Y390-L395 HydrophobicContact CD1-CB 4.08Å; Y390-L395 HydrophobicContact CD1-CD1 4.36Å; Y390-L395 HydrophobicContact CD1-CD2 3.8Å; Y390-L395 HydrophobicContact CD1-CG 4.29Å; Y390-L395 HydrophobicContact CE1-CB 4.45Å; Y390-L395 HydrophobicContact CE1-CD1 3.93Å; Y390-L395 HydrophobicContact CE1-CD2 3.52Å; Y390-L395 HydrophobicContact CE1-CG 4.16Å; L395-I397 HydrophobicContact CD1-CD1 4Å; L395-I397 HydrophobicContact CD2-CD1 4.23Å; L395-I397 HydrophobicContact CG-CD1 4.09Å; L395-V410 HydrophobicContact CB-CB 4.31Å; L395-V410 HydrophobicContact CD2-CB 3.84Å; L395-V410 HydrophobicContact CD2-CG1 4.01Å; L395-V410 HydrophobicContact CD2-CG2 4.24Å; L395-V410 HydrophobicContact CG-CB 4.12Å; L395-V410 HydrophobicContact CG-CG2 4.49Å; L395-V410 PolarHBondContact O-N 2.89Å; L395-I424 HydrophobicContact CD2-CD1 4.44Å; L395-K429 HydrophobicContact CD1-CB 4.14Å |
| 396 | V | 82.5 | Confident | 70 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.1 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | V394 Y407 Y408 L409 L430 V432 I496 | V394-V396 HydrophobicContact CG1-CG2 4.24Å; V396-Y407 HydrophobicContact CG1-CD1 4.08Å; V396-Y407 HydrophobicContact CG1-CG 4.46Å; V396-Y408 CarbonylContact C-O 3.59Å; V396-Y408 WeakPolarHBondContact CA-O 3.31Å; V396-L409 HydrophobicContact CG2-CD1 4.24Å; V396-L430 HydrophobicContact CB-CB 4.27Å; V396-L430 PolarHBondContact N-O 2.71Å; V396-L430 WeakPolarHBondContact O-CA 3.33Å; V396-L430 WeakPolarHBondContact O-CB 3.43Å; V396-L430 PolarHBondContact O-N 3.38Å; V396-V432 HydrophobicContact CG2-CG2 4.17Å; V396-I496 HydrophobicContact CG1-CD1 4.4Å; V396-I496 HydrophobicContact CG2-CD1 4.14Å |
| 397 | I | 86.3 | Confident | 72 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.3 | 177.6 | -55.3 | -57.8 | 0 | 0 | 0 | 109.5 | L395 I399 Y407 Y408 V410 L423 I424 K429 | L395-I397 HydrophobicContact CD1-CD1 4Å; L395-I397 HydrophobicContact CD2-CD1 4.23Å; L395-I397 HydrophobicContact CG-CD1 4.09Å; I397-I399 HydrophobicContact CG2-CD1 4.22Å; I397-I399 HydrophobicContact CG2-CG1 3.96Å; I397-Y407 WeakPolarHBondContact O-CA 3.47Å; I397-Y408 PolarHBondContact N-O 3.16Å; I397-Y408 PolarHBondContact O-N 3.46Å; I397-V410 HydrophobicContact CG1-CG2 3.71Å; I397-L423 HydrophobicContact CG2-CG 4.46Å; I397-I424 HydrophobicContact CD1-CB 4.42Å; I397-I424 HydrophobicContact CD1-CG1 4.05Å; I397-I424 HydrophobicContact CD1-CG2 4.41Å; I397-I424 HydrophobicContact CG1-CG1 4.18Å; I397-K429 HydrophobicContact CD1-CB 4.46Å; I397-K429 HydrophobicContact CD1-CG 4.05Å |
| 398 | E | 89.2 | Confident | 73.4 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121 | 174.4 | 178.4 | 180 | 75.8 | 0 | 0 | 109.7 | K406 Y407 G427 K428 L430 R468 | E398-K406 WeakPolarHBondContact CA-O 3.48Å; E398-Y407 HydrophobicContact CB-CD1 3.95Å; E398-Y407 HydrophobicContact CB-CE1 3.67Å; E398-Y407 HydrophobicContact CG-CD1 4.21Å; E398-Y407 HydrophobicContact CG-CE1 3.51Å; E398-Y407 VanDerWaalsContact OE2-CE1 3.27Å; E398-Y407 WeakPolarHBondContact OE2-CE1 3.5Å; E398-Y407 PolarHBondContact OE2-OH 3.31Å; E398-G427 CarbonylContact O-C 3.51Å; E398-G427 WeakPolarHBondContact O-CA 3.2Å; E398-K428 HydrophobicContact CB-CB 4.33Å; E398-K428 PolarHBondContact N-O 3.45Å; E398-K428 PolarHBondContact O-N 2.85Å; E398-K428 WeakPolarHBondContact OE1-CD 3.35Å; E398-L430 HydrophobicContact CB-CD1 3.96Å; E398-L430 HydrophobicContact CB-CG 4.22Å; E398-R468 VanDerWaalsContact CD-NH1 3.32Å; E398-R468 IonicContact OE1-NH1 3.3Å; E398-R468 PolarHBondContact OE1-NH1 2.88Å; E398-R468 IonicContact OE1-NH2 3.97Å; E398-R468 IonicContact OE2-CZ 3.42Å; E398-R468 IonicContact OE2-NH1 2.74Å; E398-R468 PolarHBondContact OE2-NH1 3.08Å; E398-R468 IonicContact OE2-NH2 3.15Å; E398-R468 PolarHBondContact OE2-NH2 3.01Å; E398-R468 VanDerWaalsContact OE2-NH2 3.15Å |
| 399 | I | 87 | Confident | 75 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.5 | 175.8 | -55.5 | -175.4 | 0 | 0 | 0 | 108.8 | I397 E401 K406 Y408 L423 K426 | I397-I399 HydrophobicContact CG2-CD1 4.22Å; I397-I399 HydrophobicContact CG2-CG1 3.96Å; I399-E401 HydrophobicContact CG2-CG 3.99Å; I399-K406 PolarHBondContact N-O 2.93Å; I399-K406 PolarHBondContact O-N 3.36Å; I399-Y408 HydrophobicContact CB-CE2 4.28Å; I399-Y408 HydrophobicContact CD1-CD2 4.08Å; I399-Y408 HydrophobicContact CD1-CE2 3.96Å; I399-Y408 HydrophobicContact CG1-CD2 4.28Å; I399-Y408 HydrophobicContact CG1-CE2 4.23Å; I399-L423 HydrophobicContact CD1-CD1 3.31Å; I399-L423 HydrophobicContact CD1-CG 4.09Å; I399-K426 HydrophobicContact CD1-CD 4.41Å |
| 400 | Q | 83.4 | Confident | 76.1 | Confident | 137 Ų | 137 | 66.8 Ų | 66.8 | 64% | 0.64 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.9 | 172.3 | -169.6 | 171.2 | -12.1 | 0 | 0 | 108.9 | ||
| 401 | E | 80.3 | Confident | 76.7 | Confident | 43 Ų | 43 | 67 Ų | 67 | 20% | 0.201 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.5 | 175.6 | -73.3 | -170.3 | 165.8 | 0 | 0 | 109.5 | I399 D403 E404 K406 K426 Y503 | I399-E401 HydrophobicContact CG2-CG 3.99Å; E401-D403 PolarHBondContact O-N 2.87Å; E401-D403 VanDerWaalsContact O-N 3.13Å; E401-E404 PolarHBondContact N-O 3.28Å; E401-E404 PolarHBondContact O-N 3.31Å; E401-K406 IonicContact OE2-NZ 2.8Å; E401-K406 PolarHBondContact OE2-NZ 3.42Å; E401-K426 IonicContact OE1-NZ 3.57Å; E401-Y503 PolarHBondContact OE1-OH 2.84Å; E401-Y503 VanDerWaalsContact OE1-OH 3.13Å |
| 402 | K | 75.1 | Confident | 77 | Confident | 216 Ų | 216 | 63.6 Ų | 63.6 | 94% | 0.939 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 42.7 | 176.9 | -58.9 | -175.5 | -179.6 | -179 | 0 | 113.5 | E404 | K402-E404 PolarHBondContact O-N 2.97Š|
| 403 | D | 74.7 | Confident | 77 | Confident | 144 Ų | 144 | 61.4 Ų | 61.4 | 77% | 0.77 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 3.1 | -179.3 | -134.3 | 21 | 0 | 0 | 0 | 116.9 | E401 | E401-D403 PolarHBondContact O-N 2.87Å; E401-D403 VanDerWaalsContact O-N 3.13Å |
| 404 | E | 78.2 | Confident | 76.8 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 144.9 | 170.8 | -69.3 | -173.7 | 152.6 | 0 | 0 | 111.7 | E401 K402 | E401-E404 PolarHBondContact N-O 3.28Å; E401-E404 PolarHBondContact O-N 3.31Å; K402-E404 PolarHBondContact O-N 2.97Å |
| 405 | K | 82.4 | Confident | 76.4 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.2 | 173.6 | -67 | -179.6 | -172.9 | 168.6 | 0 | 109.5 | Y407 | K405-Y407 HydrophobicContact CB-CE2 3.97Å; K405-Y407 WeakPolarHBondContact CD-OH 3.45Å |
| 406 | K | 79.4 | Confident | 76 | Confident | 74 Ų | 74 | 66 Ų | 66 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.4 | 171.6 | -65.7 | -175.2 | -175.1 | 168.8 | 0 | 110.4 | E398 I399 E401 Y408 | E398-K406 WeakPolarHBondContact CA-O 3.48Å; I399-K406 PolarHBondContact N-O 2.93Å; I399-K406 PolarHBondContact O-N 3.36Å; E401-K406 IonicContact OE2-NZ 2.8Å; E401-K406 PolarHBondContact OE2-NZ 3.42Å; K406-Y408 HydrophobicContact CB-CE2 3.79Å; K406-Y408 WeakPolarHBondContact CD-OH 3.37Å |
| 407 | Y | 79.2 | Confident | 75.5 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | -176.9 | -62.4 | -76.1 | 0 | 0 | 0 | 109.9 | V396 I397 E398 K405 L430 L494 P497 | V396-Y407 HydrophobicContact CG1-CD1 4.08Å; V396-Y407 HydrophobicContact CG1-CG 4.46Å; I397-Y407 WeakPolarHBondContact O-CA 3.47Å; E398-Y407 HydrophobicContact CB-CD1 3.95Å; E398-Y407 HydrophobicContact CB-CE1 3.67Å; E398-Y407 HydrophobicContact CG-CD1 4.21Å; E398-Y407 HydrophobicContact CG-CE1 3.51Å; E398-Y407 VanDerWaalsContact OE2-CE1 3.27Å; E398-Y407 WeakPolarHBondContact OE2-CE1 3.5Å; E398-Y407 PolarHBondContact OE2-OH 3.31Å; K405-Y407 HydrophobicContact CB-CE2 3.97Å; K405-Y407 WeakPolarHBondContact CD-OH 3.45Å; Y407-L430 HydrophobicContact CD1-CD1 4.15Å; Y407-L430 HydrophobicContact CE1-CD1 3.93Å; Y407-L494 HydrophobicContact CD1-CD2 3.86Å; Y407-L494 HydrophobicContact CD2-CB 4.15Å; Y407-L494 HydrophobicContact CD2-CD2 4.2Å; Y407-L494 HydrophobicContact CE1-CD2 3.42Å; Y407-L494 VanDerWaalsContact CE1-CD2 3.42Å; Y407-L494 HydrophobicContact CE2-CB 4.45Å; Y407-L494 HydrophobicContact CE2-CD2 3.79Å; Y407-L494 HydrophobicContact CG-CB 4.19Å; Y407-L494 HydrophobicContact CG-CD2 4.23Å; Y407-P497 WeakPolarHBondContact O-CD 3.33Å |
| 408 | Y | 76.6 | Confident | 75 | Confident | 17 Ų | 17 | 73 Ų | 73 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.3 | -179.5 | -59 | -84.1 | 0 | 0 | 0 | 110.2 | V396 I397 I399 K406 L423 L500 Y503 | V396-Y408 CarbonylContact C-O 3.59Å; V396-Y408 WeakPolarHBondContact CA-O 3.31Å; I397-Y408 PolarHBondContact N-O 3.16Å; I397-Y408 PolarHBondContact O-N 3.46Å; I399-Y408 HydrophobicContact CB-CE2 4.28Å; I399-Y408 HydrophobicContact CD1-CD2 4.08Å; I399-Y408 HydrophobicContact CD1-CE2 3.96Å; I399-Y408 HydrophobicContact CG1-CD2 4.28Å; I399-Y408 HydrophobicContact CG1-CE2 4.23Å; K406-Y408 HydrophobicContact CB-CE2 3.79Å; K406-Y408 WeakPolarHBondContact CD-OH 3.37Å; Y408-L423 HydrophobicContact CD2-CD1 4.13Å; Y408-L423 HydrophobicContact CD2-CD2 4.49Å; Y408-L423 HydrophobicContact CE2-CD1 4.37Å; Y408-L423 HydrophobicContact CG-CD1 4.39Å; Y408-L423 HydrophobicContact CG-CD2 4.08Å; Y408-L500 HydrophobicContact CD1-CD2 3.81Å; Y408-Y503 HydrophobicContact CE1-CD2 4.13Å; Y408-Y503 AromaticContact CE1-CE2 3.88Å; Y408-Y503 HydrophobicContact CE1-CE2 3.88Å; Y408-Y503 AromaticContact CZ-CE2 3.84Å |
| 409 | L | 73.7 | Confident | 74.4 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 36% | 0.356 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131 | 174 | -175.1 | 69 | 0 | 0 | 0 | 109.9 | V394 V396 I496 | V394-L409 HydrophobicContact CG1-CD1 3.21Å; V396-L409 HydrophobicContact CG2-CD1 4.24Å; L409-I496 HydrophobicContact CB-CG2 3.99Å |
| 410 | V | 72.3 | Confident | 73.9 | Confident | 12 Ų | 12 | 74.7 Ų | 74.7 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.8 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | L395 I397 D415 V420 I424 | L395-V410 HydrophobicContact CB-CB 4.31Å; L395-V410 HydrophobicContact CD2-CB 3.84Å; L395-V410 HydrophobicContact CD2-CG1 4.01Å; L395-V410 HydrophobicContact CD2-CG2 4.24Å; L395-V410 HydrophobicContact CG-CB 4.12Å; L395-V410 HydrophobicContact CG-CG2 4.49Å; L395-V410 PolarHBondContact O-N 2.89Å; I397-V410 HydrophobicContact CG1-CG2 3.71Å; V410-D415 HydrophobicContact CG1-CB 4.04Å; V410-V420 HydrophobicContact CG1-CG1 3.82Å; V410-V420 HydrophobicContact CG2-CG1 4.21Å; V410-I424 HydrophobicContact CG1-CD1 4.33Å; V410-I424 HydrophobicContact CG2-CG1 4.38Å |
| 411 | S | 61.2 | Low | 73.8 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -71.3 | 147.5 | 175.3 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | G413 L414 | S411-G413 PolarHBondContact O-N 3.26Å; S411-L414 PolarHBondContact O-N 3.34Å; S411-L414 VanDerWaalsContact O-N 3.14Å | ||
| 412 | A | 62.5 | Low | 73.9 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 69% | 0.686 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 130.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 413 | G | 64.1 | Low | 74.1 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -31.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S411 D415 | S411-G413 PolarHBondContact O-N 3.26Å; G413-D415 VanDerWaalsContact C-N 3.29Å; G413-D415 WeakPolarHBondContact CA-OD1 3.48Å; G413-D415 PolarHBondContact N-OD1 2.91Å; G413-D415 PolarHBondContact O-N 2.9Å |
| 414 | L | 66.8 | Low | 74.6 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -75.4 | -19.3 | 177.2 | -63.5 | -178.9 | 0 | 0 | 0 | 112.7 | S411 K416 L417 V420 V509 | S411-L414 PolarHBondContact O-N 3.34Å; S411-L414 VanDerWaalsContact O-N 3.14Å; L414-K416 PolarHBondContact O-N 3.4Å; L414-K416 VanDerWaalsContact O-N 3.09Å; L414-L417 HydrophobicContact CB-CD1 4.38Å; L414-L417 HydrophobicContact CD2-CD1 3.78Å; L414-L417 WeakPolarHBondContact O-CB 3.34Å; L414-L417 PolarHBondContact O-N 3.37Å; L414-V420 VanDerWaalsContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CG2 3.41Å; L414-V509 HydrophobicContact CD2-CG1 3.95Å |
| 415 | D | 68.3 | Low | 75 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -60.5 | -17.2 | 176.1 | 65.5 | -63.2 | 0 | 0 | 0 | 113.3 | V410 G413 K421 I424 | V410-D415 HydrophobicContact CG1-CB 4.04Å; G413-D415 VanDerWaalsContact C-N 3.29Å; G413-D415 WeakPolarHBondContact CA-OD1 3.48Å; G413-D415 PolarHBondContact N-OD1 2.91Å; G413-D415 PolarHBondContact O-N 2.9Å; D415-K421 WeakPolarHBondContact O-CE 3.47Å; D415-K421 WeakPolarHBondContact O-CG 3.45Å; D415-I424 HydrophobicContact CB-CD1 4.05Å |
| 416 | K | 73 | Confident | 75.2 | Confident | 139 Ų | 139 | 66.4 Ų | 66.4 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -76.8 | -23.1 | 175.2 | -62.5 | -173.4 | -179.7 | -178.8 | 0 | 113.2 | L414 K421 | L414-K416 PolarHBondContact O-N 3.4Å; L414-K416 VanDerWaalsContact O-N 3.09Å; K416-K421 WeakPolarHBondContact O-CE 3.39Å |
| 417 | L | 71.1 | Confident | 75.6 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 29% | 0.293 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -66.4 | 138.5 | -177.4 | -69.2 | 169.4 | 0 | 0 | 0 | 112.1 | L414 S419 V420 K421 V509 | L414-L417 HydrophobicContact CB-CD1 4.38Å; L414-L417 HydrophobicContact CD2-CD1 3.78Å; L414-L417 WeakPolarHBondContact O-CB 3.34Å; L414-L417 PolarHBondContact O-N 3.37Å; L417-S419 PolarHBondContact O-N 2.76Å; L417-V420 HydrophobicContact CB-CB 4.18Å; L417-V420 HydrophobicContact CB-CG2 3.92Å; L417-V420 HydrophobicContact CD1-CG2 4.25Å; L417-V420 PolarHBondContact O-N 2.97Å; L417-K421 WeakPolarHBondContact O-CG 3.27Å; L417-K421 PolarHBondContact O-N 2.85Å; L417-V509 HydrophobicContact CD1-CG1 4.02Å |
| 418 | P | 77.4 | Confident | 76.1 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.7 | -39.3 | -178.3 | -26.2 | 34.3 | 0 | 0 | 0 | 114.8 | K421 K422 | P418-K421 PolarHBondContact O-N 2.87Å; P418-K422 WeakPolarHBondContact O-CG 3.41Å; P418-K422 PolarHBondContact O-N 2.88Å |
| 419 | S | 75.8 | Confident | 76.8 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.5 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | L417 K422 L423 | L417-S419 PolarHBondContact O-N 2.76Å; S419-K422 WeakPolarHBondContact O-CB 3.35Å; S419-K422 PolarHBondContact O-N 2.84Å; S419-L423 PolarHBondContact O-N 2.67Å |
| 420 | V | 75.7 | Confident | 77.5 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67 | -41 | 177 | -177 | 0 | 0 | 0 | 0 | 111 | V410 L414 L417 K422 L423 I424 I505 | V410-V420 HydrophobicContact CG1-CG1 3.82Å; V410-V420 HydrophobicContact CG2-CG1 4.21Å; L414-V420 VanDerWaalsContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CG2 3.41Å; L417-V420 HydrophobicContact CB-CB 4.18Å; L417-V420 HydrophobicContact CB-CG2 3.92Å; L417-V420 HydrophobicContact CD1-CG2 4.25Å; L417-V420 PolarHBondContact O-N 2.97Å; V420-K422 VanDerWaalsContact C-N 3.29Å; V420-K422 PolarHBondContact O-N 3Å; V420-L423 WeakPolarHBondContact O-CB 3.4Å; V420-L423 PolarHBondContact O-N 3.15Å; V420-L423 VanDerWaalsContact O-N 3.11Å; V420-I424 HydrophobicContact CG1-CD1 3.86Å; V420-I424 HydrophobicContact CG1-CG1 4.23Å; V420-I424 VanDerWaalsContact O-CG1 3.28Å; V420-I424 WeakPolarHBondContact O-CG1 2.91Å; V420-I424 PolarHBondContact O-N 3.48Å; V420-I505 HydrophobicContact CG2-CD1 3.9Å |
| 421 | K | 81.7 | Confident | 78.2 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -38.9 | 172.7 | -75.5 | -174.8 | 177.9 | 171.6 | 0 | 112.5 | D415 K416 L417 P418 K425 | D415-K421 WeakPolarHBondContact O-CE 3.47Å; D415-K421 WeakPolarHBondContact O-CG 3.45Å; K416-K421 WeakPolarHBondContact O-CE 3.39Å; L417-K421 WeakPolarHBondContact O-CG 3.27Å; L417-K421 PolarHBondContact O-N 2.85Å; P418-K421 PolarHBondContact O-N 2.87Å; K421-K425 WeakPolarHBondContact O-CB 3.09Å; K421-K425 VanDerWaalsContact O-CG 3.3Å; K421-K425 WeakPolarHBondContact O-CG 3.11Å; K421-K425 PolarHBondContact O-N 2.84Å; K421-K425 VanDerWaalsContact O-N 3.1Å |
| 422 | K | 82.2 | Confident | 79 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 174.1 | -74.1 | 176.9 | -177.6 | 178.9 | 0 | 111.2 | P418 S419 V420 K425 K426 | P418-K422 WeakPolarHBondContact O-CG 3.41Å; P418-K422 PolarHBondContact O-N 2.88Å; S419-K422 WeakPolarHBondContact O-CB 3.35Å; S419-K422 PolarHBondContact O-N 2.84Å; V420-K422 VanDerWaalsContact C-N 3.29Å; V420-K422 PolarHBondContact O-N 3Å; K422-K425 PolarHBondContact O-N 3.44Å; K422-K426 WeakPolarHBondContact O-CB 3.36Å; K422-K426 PolarHBondContact O-N 2.9Å |
| 423 | L | 80.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 175.9 | -172.8 | 75.9 | 0 | 0 | 0 | 111.7 | I397 I399 Y408 S419 V420 K425 K426 G427 Y503 | I397-L423 HydrophobicContact CG2-CG 4.46Å; I399-L423 HydrophobicContact CD1-CD1 3.31Å; I399-L423 HydrophobicContact CD1-CG 4.09Å; Y408-L423 HydrophobicContact CD2-CD1 4.13Å; Y408-L423 HydrophobicContact CD2-CD2 4.49Å; Y408-L423 HydrophobicContact CE2-CD1 4.37Å; Y408-L423 HydrophobicContact CG-CD1 4.39Å; Y408-L423 HydrophobicContact CG-CD2 4.08Å; S419-L423 PolarHBondContact O-N 2.67Å; V420-L423 WeakPolarHBondContact O-CB 3.4Å; V420-L423 PolarHBondContact O-N 3.15Å; V420-L423 VanDerWaalsContact O-N 3.11Å; L423-K425 VanDerWaalsContact C-N 3.27Å; L423-K425 PolarHBondContact O-N 3.27Å; L423-K426 PolarHBondContact O-N 3.46Å; L423-K426 VanDerWaalsContact O-N 3.11Å; L423-G427 PolarHBondContact O-N 3.35Å; L423-Y503 HydrophobicContact CD1-CE2 4.49Å |
| 424 | I | 84.8 | Confident | 80.1 | Confident | 20 Ų | 20 | 64 Ų | 64 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 178.5 | -67.5 | 169.1 | 0 | 0 | 0 | 111.5 | L395 I397 V410 D415 V420 K429 | L395-I424 HydrophobicContact CD2-CD1 4.44Å; I397-I424 HydrophobicContact CD1-CB 4.42Å; I397-I424 HydrophobicContact CD1-CG1 4.05Å; I397-I424 HydrophobicContact CD1-CG2 4.41Å; I397-I424 HydrophobicContact CG1-CG1 4.18Å; V410-I424 HydrophobicContact CG1-CD1 4.33Å; V410-I424 HydrophobicContact CG2-CG1 4.38Å; D415-I424 HydrophobicContact CB-CD1 4.05Å; V420-I424 HydrophobicContact CG1-CD1 3.86Å; V420-I424 HydrophobicContact CG1-CG1 4.23Å; V420-I424 VanDerWaalsContact O-CG1 3.28Å; V420-I424 WeakPolarHBondContact O-CG1 2.91Å; V420-I424 PolarHBondContact O-N 3.48Å; I424-K429 HydrophobicContact CG2-CD 4.39Å; I424-K429 VanDerWaalsContact CG2-CE 3.47Å |
| 425 | K | 86.4 | Confident | 80.6 | Confident | 187 Ų | 187 | 66.7 Ų | 66.7 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.7 | -33.1 | 177.4 | -76.6 | 178.2 | -179.3 | -175.9 | 0 | 112.9 | K421 K422 L423 | K421-K425 WeakPolarHBondContact O-CB 3.09Å; K421-K425 VanDerWaalsContact O-CG 3.3Å; K421-K425 WeakPolarHBondContact O-CG 3.11Å; K421-K425 PolarHBondContact O-N 2.84Å; K421-K425 VanDerWaalsContact O-N 3.1Å; K422-K425 PolarHBondContact O-N 3.44Å; L423-K425 VanDerWaalsContact C-N 3.27Å; L423-K425 PolarHBondContact O-N 3.27Å |
| 426 | K | 86.5 | Confident | 81.2 | Confident | 135 Ų | 135 | 65.1 Ų | 65.1 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -76.2 | -33.9 | -179.2 | -173.3 | -178.3 | 174.7 | -166.4 | 0 | 112.1 | I399 E401 K422 L423 | I399-K426 HydrophobicContact CD1-CD 4.41Å; E401-K426 IonicContact OE1-NZ 3.57Å; K422-K426 WeakPolarHBondContact O-CB 3.36Å; K422-K426 PolarHBondContact O-N 2.9Å; L423-K426 PolarHBondContact O-N 3.46Å; L423-K426 VanDerWaalsContact O-N 3.11Å |
| 427 | G | 87.5 | Confident | 81.8 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -103 | 170.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E398 L423 | E398-G427 CarbonylContact O-C 3.51Å; E398-G427 WeakPolarHBondContact O-CA 3.2Å; L423-G427 PolarHBondContact O-N 3.35Å |
| 428 | K | 90.4 | Very high | 82.8 | Confident | 93 Ų | 93 | 56 Ų | 56 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.8 | 172.6 | -175.4 | -175.8 | 180 | -173.3 | 0 | 109.6 | E398 L430 | E398-K428 HydrophobicContact CB-CB 4.33Å; E398-K428 PolarHBondContact N-O 3.45Å; E398-K428 PolarHBondContact O-N 2.85Å; E398-K428 WeakPolarHBondContact OE1-CD 3.35Å; K428-L430 HydrophobicContact CD-CD2 4.3Å; K428-L430 HydrophobicContact CG-CD2 4.32Å |
| 429 | K | 90.3 | Very high | 83.5 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.2 | 177.4 | -54.1 | -175 | -172.9 | -167.3 | 0 | 111.1 | Y390 L395 I397 I424 | Y390-K429 PolarHBondContact OH-NZ 2.93Å; L395-K429 HydrophobicContact CD1-CB 4.14Å; I397-K429 HydrophobicContact CD1-CB 4.46Å; I397-K429 HydrophobicContact CD1-CG 4.05Å; I424-K429 HydrophobicContact CG2-CD 4.39Å; I424-K429 VanDerWaalsContact CG2-CE 3.47Å |
| 430 | L | 89 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.3 | 171.2 | -47.7 | -176.6 | 0 | 0 | 0 | 107.9 | V396 E398 Y407 K428 T437 T439 | V396-L430 HydrophobicContact CB-CB 4.27Å; V396-L430 PolarHBondContact N-O 2.71Å; V396-L430 WeakPolarHBondContact O-CA 3.33Å; V396-L430 WeakPolarHBondContact O-CB 3.43Å; V396-L430 PolarHBondContact O-N 3.38Å; E398-L430 HydrophobicContact CB-CD1 3.96Å; E398-L430 HydrophobicContact CB-CG 4.22Å; Y407-L430 HydrophobicContact CD1-CD1 4.15Å; Y407-L430 HydrophobicContact CE1-CD1 3.93Å; K428-L430 HydrophobicContact CD-CD2 4.3Å; K428-L430 HydrophobicContact CG-CD2 4.32Å; L430-T437 HydrophobicContact CB-CG2 3.97Å; L430-T437 HydrophobicContact CD1-CG2 3.97Å; L430-T437 HydrophobicContact CD2-CG2 4.39Å; L430-T437 HydrophobicContact CG-CG2 4.34Å; L430-T439 HydrophobicContact CD2-CG2 3.37Å |
| 431 | H | 87.4 | Confident | 84.8 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.6 | 175.5 | -70.4 | -100 | 0 | 0 | 0 | 108.5 | Y390 S393 F438 Y465 | Y390-H431 AromaticContact CD1-CE1 3.75Å; Y390-H431 AromaticContact CE1-CE1 3.49Å; Y390-H431 VanDerWaalsContact CE1-CE1 3.49Å; Y390-H431 WeakPolarHBondContact CE1-CE1 3.47Å; S393-H431 PolarHBondContact OG-ND1 3.18Å; H431-F438 HydrophobicContact CB-CB 4.19Å; H431-F438 PolarHBondContact N-O 3.3Å; H431-F438 WeakPolarHBondContact O-CB 3.37Å; H431-F438 PolarHBondContact O-N 3.21Å; H431-Y465 HydrophobicContact CB-CD2 4.49Å; H431-Y465 HydrophobicContact CB-CE2 3.91Å; H431-Y465 AromaticContact CD2-CE2 3.62Å; H431-Y465 AromaticContact CD2-CZ 3.48Å; H431-Y465 VanDerWaalsContact CD2-CZ 3.48Å; H431-Y465 PolarHBondContact CD2-OH 3.5Å; H431-Y465 PolarHBondContact CE1-OH 3.31Å; H431-Y465 AromaticContact CG-CE2 3.63Å; H431-Y465 AromaticContact CG-CZ 3.98Å; H431-Y465 AromaticContact NE2-CZ 3.75Å; H431-Y465 PolarHBondContact NE2-OH 2.97Å |
| 432 | V | 78.5 | Confident | 84.9 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.2 | -176.4 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | V394 V396 H436 T437 I491 | V394-V432 HydrophobicContact CB-CB 4.22Å; V394-V432 PolarHBondContact N-O 2.84Å; V394-V432 PolarHBondContact O-N 3.45Å; V396-V432 HydrophobicContact CG2-CG2 4.17Å; V432-H436 WeakPolarHBondContact CA-O 3.41Å; V432-T437 HydrophobicContact CG2-CG2 4.47Å; V432-I491 HydrophobicContact CG1-CD1 3.48Å; V432-I491 VanDerWaalsContact CG1-CD1 3.48Å; V432-I491 HydrophobicContact CG1-CG1 4.25Å |
| 433 | F | 78.2 | Confident | 84.5 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 23% | 0.232 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 139.4 | 176 | -177.9 | -95 | 0 | 0 | 0 | 109.6 | H392 E435 H436 H479 Y480 T482 | H392-F433 WeakPolarHBondContact O-CD2 3.41Å; F433-E435 PolarHBondContact O-N 2.97Å; F433-E435 VanDerWaalsContact O-N 3.14Å; F433-H436 PolarHBondContact N-O 3.02Å; F433-H436 WeakPolarHBondContact O-CB 3.42Å; F433-H436 PolarHBondContact O-N 3.44Å; F433-H479 WeakPolarHBondContact CD1-O 3.44Å; F433-Y480 WeakPolarHBondContact CE1-O 3.41Å; F433-Y480 WeakPolarHBondContact CZ-O 3.31Å; F433-T482 VanDerWaalsContact CD1-OG1 3.28Å; F433-T482 WeakPolarHBondContact CD1-OG1 3.27Å |
| 434 | N | 71.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 49.2 | -174.9 | -76.4 | 4.6 | 0 | 0 | 0 | 113.3 | H436 T482 H485 C486 | N434-H436 PolarHBondContact O-CD2 2.93Å; N434-H436 PolarHBondContact O-N 2.83Å; N434-T482 PolarHBondContact ND2-O 3.44Å; N434-H485 WeakPolarHBondContact O-CA 3.39Å; N434-C486 PolarHBondContact O-N 3.28Å; N434-C486 VanDerWaalsContact O-N 3.07Å |
| 435 | E | 76.2 | Confident | 83.2 | Confident | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 8.7 | -179 | -58 | -174.2 | -176.6 | 0 | 0 | 116.6 | F433 H485 C486 S489 I491 | F433-E435 PolarHBondContact O-N 2.97Å; F433-E435 VanDerWaalsContact O-N 3.14Å; E435-H485 IonicContact OE1-ND1 2.83Å; E435-C486 VanDerWaalsContact C-CB 3.41Å; E435-C486 HydrophobicContact CB-CB 4.06Å; E435-C486 WeakPolarHBondContact O-CB 3.44Å; E435-S489 PolarHBondContact O-OG 3.38Å; E435-I491 HydrophobicContact CB-CD1 4.18Å; E435-I491 WeakPolarHBondContact O-CD1 3.35Å |
| 436 | H | 81.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.8 | 172.2 | -68.5 | -77.6 | 0 | 0 | 0 | 111.4 | V432 F433 N434 F438 C467 C470 M472 T484 C486 | V432-H436 WeakPolarHBondContact CA-O 3.41Å; F433-H436 PolarHBondContact N-O 3.02Å; F433-H436 WeakPolarHBondContact O-CB 3.42Å; F433-H436 PolarHBondContact O-N 3.44Å; N434-H436 PolarHBondContact O-CD2 2.93Å; N434-H436 PolarHBondContact O-N 2.83Å; H436-F438 HydrophobicContact CB-CD2 3.92Å; H436-F438 HydrophobicContact CB-CE1 4Å; H436-F438 HydrophobicContact CB-CE2 3.28Å; H436-F438 HydrophobicContact CB-CZ 3.28Å; H436-F438 AromaticContact CG-CZ 3.63Å; H436-F438 PolarHBondContact O-N 3.17Å; H436-C467 HydrophobicContact CB-CB 4.27Å; H436-C467 PolarHBondContact ND1-SG 2.97Å; H436-C470 PolarHBondContact CE1-SG 3.41Å; H436-C470 PolarHBondContact ND1-SG 2.93Å; H436-M472 VanDerWaalsContact CE1-CE 3.48Å; H436-M472 WeakPolarHBondContact CE1-CE 3.31Å; H436-M472 VanDerWaalsContact NE2-CE 3.34Å; H436-M472 WeakPolarHBondContact NE2-CE 3.5Å; H436-T484 PolarHBondContact NE2-O 2.82Å; H436-C486 HydrophobicContact CB-CB 4.38Å; H436-C486 WeakPolarHBondContact CE1-CA 3.48Å; H436-C486 VanDerWaalsContact CE1-CB 3.48Å; H436-C486 WeakPolarHBondContact CE1-CB 3.45Å; H436-C486 VanDerWaalsContact ND1-CB 3.31Å; H436-C486 WeakPolarHBondContact ND1-CB 3.34Å; H436-C486 PolarHBondContact ND1-SG 2.94Å |
| 437 | T | 86 | Confident | 81.2 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 89.1 | 170.4 | -48.9 | 0 | 0 | 0 | 0 | 111 | L430 V432 C467 R468 D469 I491 | L430-T437 HydrophobicContact CB-CG2 3.97Å; L430-T437 HydrophobicContact CD1-CG2 3.97Å; L430-T437 HydrophobicContact CD2-CG2 4.39Å; L430-T437 HydrophobicContact CG-CG2 4.34Å; V432-T437 HydrophobicContact CG2-CG2 4.47Å; T437-C467 WeakPolarHBondContact O-CA 3.47Å; T437-R468 PolarHBondContact O-N 3.46Å; T437-D469 PolarHBondContact OG1-OD2 3.24Å; T437-I491 WeakPolarHBondContact OG1-CG1 3.49Å |
| 438 | F | 91.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 137.1 | -177.8 | -66 | -70.1 | 0 | 0 | 0 | 113.5 | H431 H436 Y465 C467 M472 H479 T482 | H431-F438 HydrophobicContact CB-CB 4.19Å; H431-F438 PolarHBondContact N-O 3.3Å; H431-F438 WeakPolarHBondContact O-CB 3.37Å; H431-F438 PolarHBondContact O-N 3.21Å; H436-F438 HydrophobicContact CB-CD2 3.92Å; H436-F438 HydrophobicContact CB-CE1 4Å; H436-F438 HydrophobicContact CB-CE2 3.28Å; H436-F438 HydrophobicContact CB-CZ 3.28Å; H436-F438 AromaticContact CG-CZ 3.63Å; H436-F438 PolarHBondContact O-N 3.17Å; F438-Y465 HydrophobicContact CB-CD2 3.71Å; F438-Y465 HydrophobicContact CB-CE2 4.48Å; F438-Y465 HydrophobicContact CB-CG 4.01Å; F438-Y465 HydrophobicContact CG-CD2 4.31Å; F438-C467 HydrophobicContact CD1-CB 4.14Å; F438-C467 HydrophobicContact CE1-CB 3.93Å; F438-M472 HydrophobicContact CE1-CE 3.82Å; F438-M472 HydrophobicContact CZ-CE 3.49Å; F438-M472 VanDerWaalsContact CZ-CE 3.49Å; F438-H479 HydrophobicContact CD1-CB 4.43Å; F438-H479 HydrophobicContact CD2-CB 3.76Å; F438-H479 AromaticContact CD2-CD2 3.86Å; F438-H479 HydrophobicContact CE2-CB 3.9Å; F438-H479 HydrophobicContact CG-CB 4.04Å; F438-H479 HydrophobicContact CZ-CB 4.35Å; F438-T482 HydrophobicContact CE2-CG2 4.36Å; F438-T482 HydrophobicContact CZ-CG2 3.82Å |
| 439 | T | 92.5 | Very high | 80.1 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.8 | 173.4 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | L430 T441 Y465 R466 R468 | L430-T439 HydrophobicContact CD2-CG2 3.37Å; T439-T441 PolarHBondContact O-N 3.01Å; T439-Y465 WeakPolarHBondContact O-CA 3.46Å; T439-R466 PolarHBondContact N-O 2.9Å; T439-R466 PolarHBondContact O-N 3.37Å; T439-R466 PolarHBondContact OG1-O 3.41Å; T439-R468 HydrophobicContact CG2-CG 3.77Å |
| 440 | A | 91.2 | Very high | 79.7 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 120.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R462 G464 Y465 | A440-R462 HydrophobicContact CB-CB 4.01Å; A440-R462 WeakPolarHBondContact O-CD 3.48Å; A440-G464 WeakPolarHBondContact CA-O 3.23Å; A440-Y465 HydrophobicContact CB-CD1 4.28Å; A440-Y465 HydrophobicContact CB-CE1 3.92Å |
| 441 | T | 87.2 | Confident | 79.1 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 152.5 | 179.1 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | T439 V443 R462 Q463 G464 R466 L473 | T439-T441 PolarHBondContact O-N 3.01Å; T441-V443 HydrophobicContact CG2-CG2 3.98Å; T441-R462 CarbonylContact O-C 3.5Å; T441-R462 WeakPolarHBondContact O-CA 3.37Å; T441-Q463 PolarHBondContact O-N 2.92Å; T441-G464 PolarHBondContact N-O 2.9Å; T441-G464 PolarHBondContact O-N 3.37Å; T441-R466 HydrophobicContact CG2-CB 3.62Å; T441-L473 HydrophobicContact CG2-CD1 4.05Å |
| 442 | K | 83.6 | Confident | 78.3 | Confident | 132 Ų | 132 | 47.3 Ų | 47.3 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | trans | -74 | 147.6 | 160.4 | -65.9 | -176.7 | -179.7 | 179.1 | 0 | 108 | F460 R462 | K442-F460 WeakPolarHBondContact CE-O 3.3Å; K442-R462 HydrophobicContact CG-CG 3.9Å | ||
| 443 | V | 75.3 | Confident | 78 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | trans | -128.8 | 128.5 | -177.8 | -171.5 | 0 | 0 | 0 | 0 | 106.9 | T441 H447 V456 S458 L473 | T441-V443 HydrophobicContact CG2-CG2 3.98Å; V443-H447 HydrophobicContact CG1-CB 3.55Å; V443-V456 HydrophobicContact CB-CG1 4.2Å; V443-V456 HydrophobicContact CG1-CB 4.2Å; V443-V456 HydrophobicContact CG1-CG1 4.29Å; V443-V456 HydrophobicContact CG2-CG1 3.79Å; V443-S458 WeakPolarHBondContact O-CA 3.37Å; V443-S458 PolarHBondContact O-OG 3.15Å; V443-L473 HydrophobicContact CG1-CD2 3.8Å; V443-L473 HydrophobicContact CG2-CD1 3.78Å | ||
| 444 | S | 71.4 | Confident | 78 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | trans | -72.4 | 159.9 | 172.1 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | H447 | S444-H447 PolarHBondContact O-ND1 2.94Å; S444-H447 PolarHBondContact OG-CE1 3.38Å; S444-H447 PolarHBondContact OG-ND1 2.87Å | ||
| 445 | S | 65.2 | Low | 78.3 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 147.8 | 178.1 | 47 | 0 | 0 | 0 | 0 | 111.6 | S458 | S445-S458 PolarHBondContact N-OG 3.39Š|
| 446 | G | 59.8 | Low | 78 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 4.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 447 | H | 72.2 | Confident | 77.4 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 137.6 | 174.7 | -73.9 | 74.5 | 0 | 0 | 0 | 112.5 | V443 S444 T455 V456 L473 | V443-H447 HydrophobicContact CG1-CB 3.55Å; S444-H447 PolarHBondContact O-ND1 2.94Å; S444-H447 PolarHBondContact OG-CE1 3.38Å; S444-H447 PolarHBondContact OG-ND1 2.87Å; H447-T455 WeakPolarHBondContact O-CG2 3.29Å; H447-V456 PolarHBondContact O-N 2.8Å; H447-L473 HydrophobicContact CB-CD2 3.55Å |
| 448 | F | 77.4 | Confident | 76.2 | Confident | 126 Ų | 126 | 63 Ų | 63 | 55% | 0.553 | 35% | 0.351 | S | S | * | . | B | Isolated β-bridge | trans | -99.5 | 150.4 | 178.8 | -57.9 | -79.1 | 0 | 0 | 0 | 111.9 | M453 T455 | F448-M453 VanDerWaalsContact CD1-O 3.28Å; F448-M453 WeakPolarHBondContact CD1-O 3.26Å; F448-T455 WeakPolarHBondContact CE1-OG1 3.34Å |
| 449 | C | 77.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 125.3 | 172.4 | 172.2 | 0 | 0 | 0 | 0 | 109.3 | V451 M453 K454 V456 L473 C474 H475 | C449-V451 PolarHBondContact O-N 2.89Å; C449-V451 PolarHBondContact SG-N 2.91Å; C449-V451 VanDerWaalsContact SG-N 3.43Å; C449-M453 WeakPolarHBondContact O-CA 3.19Å; C449-M453 PolarHBondContact O-N 3.37Å; C449-K454 WeakPolarHBondContact CB-O 3.4Å; C449-K454 PolarHBondContact N-O 3.31Å; C449-V456 HydrophobicContact CB-CG2 3.78Å; C449-L473 CarbonylContact C-O 3.59Å; C449-C474 WeakPolarHBondContact SG-CA 3.48Å; C449-C474 VanDerWaalsContact SG-CB 3.53Å; C449-H475 VanDerWaalsContact CB-CE1 3.43Å; C449-H475 WeakPolarHBondContact CB-CE1 3.35Å; C449-H475 WeakPolarHBondContact CB-ND1 3.16Å; C449-H475 PolarHBondContact SG-N 3.07Å |
| 450 | S | 81.4 | Confident | 73.1 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 115.1 | M453 L473 | S450-M453 VanDerWaalsContact O-CE 3.32Å; S450-M453 WeakPolarHBondContact O-CE 3.46Å; S450-L473 PolarHBondContact N-O 2.99Å; S450-L473 PolarHBondContact OG-O 3.37Å |
| 451 | V | 75.4 | Confident | 71.9 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -57.2 | -177.3 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | C449 C474 C478 K481 T482 | C449-V451 PolarHBondContact O-N 2.89Å; C449-V451 PolarHBondContact SG-N 2.91Å; C449-V451 VanDerWaalsContact SG-N 3.43Å; V451-C474 HydrophobicContact CG2-CB 3.94Å; V451-C478 HydrophobicContact CB-CB 3.97Å; V451-C478 HydrophobicContact CG1-CB 4.16Å; V451-C478 HydrophobicContact CG2-CB 4.35Å; V451-K481 HydrophobicContact CG1-CB 3.83Å; V451-K481 WeakPolarHBondContact CG1-O 3.46Å; V451-T482 HydrophobicContact CG2-CG2 3.48Å; V451-T482 VanDerWaalsContact CG2-CG2 3.48Å |
| 452 | C | 71.5 | Confident | 70.9 | Confident | 45 Ų | 45 | 87.7 Ų | 87.7 | 30% | 0.304 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 0.1 | -179.2 | 69.1 | 0 | 0 | 0 | 0 | 114 | K454 H475 | C452-K454 PolarHBondContact O-N 3.18Å; C452-H475 PolarHBondContact SG-CE1 3.36Å; C452-H475 PolarHBondContact SG-ND1 2.89Å |
| 453 | M | 72.4 | Confident | 70.5 | Confident | 129 Ų | 129 | 84.6 Ų | 84.6 | 64% | 0.635 | 43% | 0.43 | S | S | * | . | trans | 56.5 | -3.5 | -176.2 | -56 | -55.2 | 178.3 | 0 | 0 | 116.8 | F448 C449 S450 | F448-M453 VanDerWaalsContact CD1-O 3.28Å; F448-M453 WeakPolarHBondContact CD1-O 3.26Å; C449-M453 WeakPolarHBondContact O-CA 3.19Å; C449-M453 PolarHBondContact O-N 3.37Å; S450-M453 VanDerWaalsContact O-CE 3.32Å; S450-M453 WeakPolarHBondContact O-CE 3.46Å | ||
| 454 | K | 78.1 | Confident | 71.1 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -69.8 | 150.7 | 169.5 | -57.5 | -168.7 | -179.1 | -162.7 | 0 | 112 | S262 D263 C449 C452 V456 H475 | S262-K454 WeakPolarHBondContact O-CE 3.41Å; S262-K454 PolarHBondContact O-NZ 3.25Å; D263-K454 IonicContact OD1-NZ 3.88Å; D263-K454 PolarHBondContact OD1-NZ 3.48Å; C449-K454 WeakPolarHBondContact CB-O 3.4Å; C449-K454 PolarHBondContact N-O 3.31Å; C452-K454 PolarHBondContact O-N 3.18Å; K454-V456 PolarHBondContact O-N 3.49Å; K454-H475 PolarHBondContact O-CE1 3.4Å |
| 455 | T | 76.8 | Confident | 72.1 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -58.9 | 135.2 | 179.6 | -46.3 | 0 | 0 | 0 | 0 | 112.2 | H447 F448 R457 H475 | H447-T455 WeakPolarHBondContact O-CG2 3.29Å; F448-T455 WeakPolarHBondContact CE1-OG1 3.34Å; T455-R457 PolarHBondContact O-N 3.04Å; T455-H475 PolarHBondContact O-NE2 3.05Å |
| 456 | V | 71.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -84.5 | 107.2 | 168.3 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | V443 H447 C449 K454 S458 L473 | V443-V456 HydrophobicContact CB-CG1 4.2Å; V443-V456 HydrophobicContact CG1-CB 4.2Å; V443-V456 HydrophobicContact CG1-CG1 4.29Å; V443-V456 HydrophobicContact CG2-CG1 3.79Å; H447-V456 PolarHBondContact O-N 2.8Å; C449-V456 HydrophobicContact CB-CG2 3.78Å; K454-V456 PolarHBondContact O-N 3.49Å; V456-S458 PolarHBondContact O-N 3.26Å; V456-L473 HydrophobicContact CG2-CD2 4.34Å; V456-L473 HydrophobicContact CG2-CG 4.3Å | ||
| 457 | R | 68.4 | Low | 74.9 | Confident | 189 Ų | 189 | 77.7 Ų | 77.7 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | trans | -53.2 | 123.3 | -172.7 | -73.4 | -178.5 | -177.8 | 167.4 | 0 | 111.5 | T455 T459 | T455-R457 PolarHBondContact O-N 3.04Å; R457-T459 PolarHBondContact O-N 2.96Å | ||
| 458 | S | 60.3 | Low | 75.8 | Confident | 62 Ų | 62 | 78 Ų | 78 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | trans | -73.4 | 113.8 | 170.7 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | V443 S445 V456 | V443-S458 WeakPolarHBondContact O-CA 3.37Å; V443-S458 PolarHBondContact O-OG 3.15Å; S445-S458 PolarHBondContact N-OG 3.39Å; V456-S458 PolarHBondContact O-N 3.26Å | ||
| 459 | T | 57.9 | Low | 76.2 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | trans | -144.4 | 167.6 | 170.6 | 63.5 | 0 | 0 | 0 | 0 | 109.2 | R457 R461 Q463 | R457-T459 PolarHBondContact O-N 2.96Å; T459-R461 PolarHBondContact O-N 3.36Å; T459-R461 PolarHBondContact OG1-N 3.23Å; T459-Q463 VanDerWaalsContact OG1-CD 3.3Å; T459-Q463 WeakPolarHBondContact OG1-CG 3.47Å; T459-Q463 PolarHBondContact OG1-NE2 3.25Å | ||
| 460 | F | 60.8 | Low | 76.4 | Confident | 199 Ų | 199 | 75.7 Ų | 75.7 | 87% | 0.873 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -60.5 | -11.9 | 174.5 | -59.6 | -79.8 | 0 | 0 | 0 | 114 | K442 | K442-F460 WeakPolarHBondContact CE-O 3.3Š|
| 461 | R | 65.5 | Low | 76.9 | Confident | 200 Ų | 200 | 81.9 Ų | 81.9 | 76% | 0.755 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -92.3 | 149.8 | 176.5 | -63.5 | -172.6 | -172.4 | -114 | 1.8 | 111.4 | T459 Q463 | T459-R461 PolarHBondContact O-N 3.36Å; T459-R461 PolarHBondContact OG1-N 3.23Å; R461-Q463 VanDerWaalsContact C-N 3.32Å; R461-Q463 HydrophobicContact CB-CG 4.26Å; R461-Q463 PolarHBondContact O-N 3.38Å |
| 462 | R | 67.3 | Low | 77.5 | Confident | 149 Ų | 149 | 81.3 Ų | 81.3 | 56% | 0.562 | 37% | 0.365 | S | S | * | . | trans | -72.2 | 81.8 | 174.3 | -65.5 | 176.7 | 177.1 | -178.6 | 5.1 | 110.4 | A440 T441 K442 K476 | A440-R462 HydrophobicContact CB-CB 4.01Å; A440-R462 WeakPolarHBondContact O-CD 3.48Å; T441-R462 CarbonylContact O-C 3.5Å; T441-R462 WeakPolarHBondContact O-CA 3.37Å; K442-R462 HydrophobicContact CG-CG 3.9Å; R462-K476 WeakPolarHBondContact O-CE 3.31Å | ||
| 463 | Q | 74.5 | Confident | 78.4 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | trans | -90.5 | -11.8 | -175.9 | -68 | -161.7 | 16.3 | 0 | 0 | 114.7 | T441 T459 R461 | T441-Q463 PolarHBondContact O-N 2.92Å; T459-Q463 VanDerWaalsContact OG1-CD 3.3Å; T459-Q463 WeakPolarHBondContact OG1-CG 3.47Å; T459-Q463 PolarHBondContact OG1-NE2 3.25Å; R461-Q463 VanDerWaalsContact C-N 3.32Å; R461-Q463 HydrophobicContact CB-CG 4.26Å; R461-Q463 PolarHBondContact O-N 3.38Å | ||
| 464 | G | 87.5 | Confident | 79 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 152.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A440 T441 C474 | A440-G464 WeakPolarHBondContact CA-O 3.23Å; T441-G464 PolarHBondContact N-O 2.9Å; T441-G464 PolarHBondContact O-N 3.37Å; G464-C474 CarbonylContact C-O 3.55Å; G464-C474 WeakPolarHBondContact CA-O 3.14Å |
| 465 | Y | 93 | Very high | 79.3 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.3 | 161.5 | -88 | 8.1 | 0 | 0 | 0 | 109 | L389 H431 F438 T439 A440 L473 C474 K476 H479 | L389-Y465 HydrophobicContact CD2-CE2 3.83Å; L389-Y465 VanDerWaalsContact CD2-OH 3.28Å; L389-Y465 WeakPolarHBondContact CD2-OH 3.3Å; H431-Y465 HydrophobicContact CB-CD2 4.49Å; H431-Y465 HydrophobicContact CB-CE2 3.91Å; H431-Y465 AromaticContact CD2-CE2 3.62Å; H431-Y465 AromaticContact CD2-CZ 3.48Å; H431-Y465 VanDerWaalsContact CD2-CZ 3.48Å; H431-Y465 PolarHBondContact CD2-OH 3.5Å; H431-Y465 PolarHBondContact CE1-OH 3.31Å; H431-Y465 AromaticContact CG-CE2 3.63Å; H431-Y465 AromaticContact CG-CZ 3.98Å; H431-Y465 AromaticContact NE2-CZ 3.75Å; H431-Y465 PolarHBondContact NE2-OH 2.97Å; F438-Y465 HydrophobicContact CB-CD2 3.71Å; F438-Y465 HydrophobicContact CB-CE2 4.48Å; F438-Y465 HydrophobicContact CB-CG 4.01Å; F438-Y465 HydrophobicContact CG-CD2 4.31Å; T439-Y465 WeakPolarHBondContact O-CA 3.46Å; A440-Y465 HydrophobicContact CB-CD1 4.28Å; A440-Y465 HydrophobicContact CB-CE1 3.92Å; Y465-L473 CarbonylContact O-C 3.56Å; Y465-L473 WeakPolarHBondContact O-CA 3.27Å; Y465-C474 PolarHBondContact N-O 2.91Å; Y465-C474 PolarHBondContact O-N 3.26Å; Y465-K476 HydrophobicContact CD1-CG 3.73Å; Y465-K476 HydrophobicContact CE1-CB 4.45Å; Y465-K476 HydrophobicContact CE1-CD 4.12Å; Y465-K476 HydrophobicContact CE1-CG 3.66Å; Y465-K476 HydrophobicContact CG-CG 4.32Å; Y465-H479 HydrophobicContact CD2-CB 3.72Å; Y465-H479 AromaticContact CD2-CG 3.6Å; Y465-H479 AromaticContact CD2-ND1 3.8Å; Y465-H479 AromaticContact CE2-CG 3.97Å; Y465-H479 AromaticContact CE2-ND1 3.83Å |
| 466 | R | 92.9 | Very high | 79.9 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.3 | 173.4 | -172.5 | 177.2 | -64.4 | -84 | 8.1 | 109.3 | T439 T441 R468 R471 M472 L473 | T439-R466 PolarHBondContact N-O 2.9Å; T439-R466 PolarHBondContact O-N 3.37Å; T439-R466 PolarHBondContact OG1-O 3.41Å; T441-R466 HydrophobicContact CG2-CB 3.62Å; R466-R468 PolarHBondContact O-N 2.94Å; R466-R471 WeakPolarHBondContact CG-O 3.38Å; R466-R471 PolarHBondContact NH1-O 2.84Å; R466-M472 CarbonylContact C-O 3.5Å; R466-M472 VanDerWaalsContact CA-O 3.29Å; R466-M472 WeakPolarHBondContact CA-O 3.17Å; R466-L473 HydrophobicContact CB-CD1 4.43Å |
| 467 | C | 90.4 | Very high | 80.5 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 131.4 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | H436 T437 F438 D469 C470 R471 M472 | H436-C467 HydrophobicContact CB-CB 4.27Å; H436-C467 PolarHBondContact ND1-SG 2.97Å; T437-C467 WeakPolarHBondContact O-CA 3.47Å; F438-C467 HydrophobicContact CD1-CB 4.14Å; F438-C467 HydrophobicContact CE1-CB 3.93Å; C467-D469 PolarHBondContact O-N 2.81Å; C467-D469 PolarHBondContact SG-N 2.55Å; C467-C470 VanDerWaalsContact SG-SG 3.67Å; C467-R471 WeakPolarHBondContact O-CA 3.24Å; C467-R471 PolarHBondContact O-N 3.38Å; C467-M472 HydrophobicContact CB-CB 4.28Å; C467-M472 PolarHBondContact N-O 2.77Å |
| 468 | R | 91 | Very high | 81.3 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 30% | 0.302 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.2 | 178.3 | -70.2 | 172 | 66.8 | 165.8 | -1.4 | 112.5 | E398 T437 T439 R466 | E398-R468 VanDerWaalsContact CD-NH1 3.32Å; E398-R468 IonicContact OE1-NH1 3.3Å; E398-R468 PolarHBondContact OE1-NH1 2.88Å; E398-R468 IonicContact OE1-NH2 3.97Å; E398-R468 IonicContact OE2-CZ 3.42Å; E398-R468 IonicContact OE2-NH1 2.74Å; E398-R468 PolarHBondContact OE2-NH1 3.08Å; E398-R468 IonicContact OE2-NH2 3.15Å; E398-R468 PolarHBondContact OE2-NH2 3.01Å; E398-R468 VanDerWaalsContact OE2-NH2 3.15Å; T437-R468 PolarHBondContact O-N 3.46Å; T439-R468 HydrophobicContact CG2-CG 3.77Å; R466-R468 PolarHBondContact O-N 2.94Å |
| 469 | D | 85.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 21% | 0.214 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -69.8 | -166.5 | -47.4 | -46.7 | 0 | 0 | 0 | 110.3 | T437 C467 R471 S488 | T437-D469 PolarHBondContact OG1-OD2 3.24Å; C467-D469 PolarHBondContact O-N 2.81Å; C467-D469 PolarHBondContact SG-N 2.55Å; D469-R471 VanDerWaalsContact C-N 3.32Å; D469-R471 PolarHBondContact O-N 2.85Å; D469-S488 VanDerWaalsContact CB-O 3.28Å; D469-S488 WeakPolarHBondContact CB-O 3.48Å |
| 470 | C | 83.3 | Confident | 83.6 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.3 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 114.7 | H436 C467 M472 P487 | H436-C470 PolarHBondContact CE1-SG 3.41Å; H436-C470 PolarHBondContact ND1-SG 2.93Å; C467-C470 VanDerWaalsContact SG-SG 3.67Å; C470-M472 PolarHBondContact O-N 2.86Å; C470-M472 VanDerWaalsContact O-N 3.11Å; C470-M472 VanDerWaalsContact SG-CB 3.51Å; C470-P487 HydrophobicContact CB-CG 4.09Å |
| 471 | R | 91.3 | Very high | 84.5 | Confident | 185 Ų | 185 | 62.7 Ų | 62.7 | 70% | 0.698 | 26% | 0.258 | S | S | * | . | trans | 63.2 | 9 | -178.3 | -55.1 | -128.6 | -177.1 | 125.4 | 1.2 | 117 | R466 C467 D469 L473 | R466-R471 WeakPolarHBondContact CG-O 3.38Å; R466-R471 PolarHBondContact NH1-O 2.84Å; C467-R471 WeakPolarHBondContact O-CA 3.24Å; C467-R471 PolarHBondContact O-N 3.38Å; D469-R471 VanDerWaalsContact C-N 3.32Å; D469-R471 PolarHBondContact O-N 2.85Å; R471-L473 PolarHBondContact O-N 2.95Å | ||
| 472 | M | 88.1 | Confident | 84.5 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | trans | -52.1 | 131 | 174.8 | -176.8 | 171.5 | 68.3 | 0 | 0 | 111.3 | H436 F438 R466 C467 C470 T482 | H436-M472 VanDerWaalsContact CE1-CE 3.48Å; H436-M472 WeakPolarHBondContact CE1-CE 3.31Å; H436-M472 VanDerWaalsContact NE2-CE 3.34Å; H436-M472 WeakPolarHBondContact NE2-CE 3.5Å; F438-M472 HydrophobicContact CE1-CE 3.82Å; F438-M472 HydrophobicContact CZ-CE 3.49Å; F438-M472 VanDerWaalsContact CZ-CE 3.49Å; R466-M472 CarbonylContact C-O 3.5Å; R466-M472 VanDerWaalsContact CA-O 3.29Å; R466-M472 WeakPolarHBondContact CA-O 3.17Å; C467-M472 HydrophobicContact CB-CB 4.28Å; C467-M472 PolarHBondContact N-O 2.77Å; C470-M472 PolarHBondContact O-N 2.86Å; C470-M472 VanDerWaalsContact O-N 3.11Å; C470-M472 VanDerWaalsContact SG-CB 3.51Å; M472-T482 HydrophobicContact CE-CG2 3.31Å; M472-T482 HydrophobicContact SD-CG2 4.41Å | ||
| 473 | L | 89.5 | Confident | 84.3 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.2 | -178.6 | 176.4 | 70 | 0 | 0 | 0 | 110.2 | T441 V443 H447 C449 S450 V456 Y465 R466 R471 | T441-L473 HydrophobicContact CG2-CD1 4.05Å; V443-L473 HydrophobicContact CG1-CD2 3.8Å; V443-L473 HydrophobicContact CG2-CD1 3.78Å; H447-L473 HydrophobicContact CB-CD2 3.55Å; C449-L473 CarbonylContact C-O 3.59Å; S450-L473 PolarHBondContact N-O 2.99Å; S450-L473 PolarHBondContact OG-O 3.37Å; V456-L473 HydrophobicContact CG2-CD2 4.34Å; V456-L473 HydrophobicContact CG2-CG 4.3Å; Y465-L473 CarbonylContact O-C 3.56Å; Y465-L473 WeakPolarHBondContact O-CA 3.27Å; R466-L473 HydrophobicContact CB-CD1 4.43Å; R471-L473 PolarHBondContact O-N 2.95Å |
| 474 | C | 85.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 169.1 | 174.9 | 63 | 0 | 0 | 0 | 0 | 112.2 | C449 V451 G464 Y465 C478 H479 | C449-C474 WeakPolarHBondContact SG-CA 3.48Å; C449-C474 VanDerWaalsContact SG-CB 3.53Å; V451-C474 HydrophobicContact CG2-CB 3.94Å; G464-C474 CarbonylContact C-O 3.55Å; G464-C474 WeakPolarHBondContact CA-O 3.14Å; Y465-C474 PolarHBondContact N-O 2.91Å; Y465-C474 PolarHBondContact O-N 3.26Å; C474-C478 HydrophobicContact CB-CB 4.31Å; C474-H479 VanDerWaalsContact SG-CB 3.6Å |
| 475 | H | 85.2 | Confident | 82.7 | Confident | 28 Ų | 28 | 59 Ų | 59 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 152.5 | 166.3 | -56.4 | 108.8 | 0 | 0 | 0 | 110.1 | C449 C452 K454 T455 R477 C478 H479 | C449-H475 VanDerWaalsContact CB-CE1 3.43Å; C449-H475 WeakPolarHBondContact CB-CE1 3.35Å; C449-H475 WeakPolarHBondContact CB-ND1 3.16Å; C449-H475 PolarHBondContact SG-N 3.07Å; C452-H475 PolarHBondContact SG-CE1 3.36Å; C452-H475 PolarHBondContact SG-ND1 2.89Å; K454-H475 PolarHBondContact O-CE1 3.4Å; T455-H475 PolarHBondContact O-NE2 3.05Å; H475-R477 HydrophobicContact CB-CG 4.13Å; H475-R477 PolarHBondContact O-N 2.78Å; H475-R477 VanDerWaalsContact O-N 3.13Å; H475-C478 HydrophobicContact CB-CB 4.07Å; H475-C478 PolarHBondContact O-N 3.06Å; H475-H479 PolarHBondContact O-N 2.96Å |
| 476 | K | 88.5 | Confident | 81.4 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -38.9 | 170.8 | -70.4 | -167.9 | 178.4 | -176 | 0 | 113.7 | L389 R462 Y465 C478 H479 | L389-K476 HydrophobicContact CD1-CB 4.45Å; L389-K476 HydrophobicContact CD2-CB 4.13Å; R462-K476 WeakPolarHBondContact O-CE 3.31Å; Y465-K476 HydrophobicContact CD1-CG 3.73Å; Y465-K476 HydrophobicContact CE1-CB 4.45Å; Y465-K476 HydrophobicContact CE1-CD 4.12Å; Y465-K476 HydrophobicContact CE1-CG 3.66Å; Y465-K476 HydrophobicContact CG-CG 4.32Å; K476-C478 VanDerWaalsContact C-N 3.35Å; K476-H479 PolarHBondContact O-CE1 3.24Å; K476-H479 PolarHBondContact O-ND1 2.65Å |
| 477 | R | 84.9 | Confident | 80.3 | Confident | 165 Ų | 165 | 60.7 Ų | 60.7 | 62% | 0.623 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.2 | 178.8 | 67.1 | 178 | -175.9 | 155.7 | 2.4 | 114.7 | H475 Y480 | H475-R477 HydrophobicContact CB-CG 4.13Å; H475-R477 PolarHBondContact O-N 2.78Å; H475-R477 VanDerWaalsContact O-N 3.13Å; R477-Y480 WeakPolarHBondContact O-CE1 3.35Å |
| 478 | C | 85 | Confident | 79.9 | Confident | 7 Ų | 7 | 64 Ų | 64 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -13.7 | -177.4 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | V451 C474 H475 K476 Y480 K481 | V451-C478 HydrophobicContact CB-CB 3.97Å; V451-C478 HydrophobicContact CG1-CB 4.16Å; V451-C478 HydrophobicContact CG2-CB 4.35Å; C474-C478 HydrophobicContact CB-CB 4.31Å; H475-C478 HydrophobicContact CB-CB 4.07Å; H475-C478 PolarHBondContact O-N 3.06Å; K476-C478 VanDerWaalsContact C-N 3.35Å; C478-Y480 VanDerWaalsContact C-N 3.28Å; C478-Y480 PolarHBondContact O-N 3.29Å; C478-K481 WeakPolarHBondContact O-CB 3.42Å; C478-K481 PolarHBondContact O-N 3.41Å |
| 479 | H | 83.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -62.4 | -31.1 | -173.1 | 81.3 | -77.5 | 0 | 0 | 0 | 114.4 | S393 F433 F438 Y465 C474 H475 K476 K481 T482 | S393-H479 WeakPolarHBondContact CB-NE2 3.47Å; S393-H479 PolarHBondContact OG-NE2 3.44Å; F433-H479 WeakPolarHBondContact CD1-O 3.44Å; F438-H479 HydrophobicContact CD1-CB 4.43Å; F438-H479 HydrophobicContact CD2-CB 3.76Å; F438-H479 AromaticContact CD2-CD2 3.86Å; F438-H479 HydrophobicContact CE2-CB 3.9Å; F438-H479 HydrophobicContact CG-CB 4.04Å; F438-H479 HydrophobicContact CZ-CB 4.35Å; Y465-H479 HydrophobicContact CD2-CB 3.72Å; Y465-H479 AromaticContact CD2-CG 3.6Å; Y465-H479 AromaticContact CD2-ND1 3.8Å; Y465-H479 AromaticContact CE2-CG 3.97Å; Y465-H479 AromaticContact CE2-ND1 3.83Å; C474-H479 VanDerWaalsContact SG-CB 3.6Å; H475-H479 PolarHBondContact O-N 2.96Å; K476-H479 PolarHBondContact O-CE1 3.24Å; K476-H479 PolarHBondContact O-ND1 2.65Å; H479-K481 PolarHBondContact O-N 3.31Å; H479-T482 VanDerWaalsContact O-CG2 3.26Å; H479-T482 WeakPolarHBondContact O-CG2 3.4Å; H479-T482 PolarHBondContact O-OG1 3.36Å |
| 480 | Y | 81.8 | Confident | 78.2 | Confident | 64 Ų | 64 | 63 Ų | 63 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -83.6 | 3.8 | 176.6 | 67.6 | -94.2 | 0 | 0 | 0 | 113.3 | H392 F433 R477 C478 | H392-Y480 VanDerWaalsContact CB-CB 3.47Å; H392-Y480 HydrophobicContact CB-CD1 4.13Å; H392-Y480 HydrophobicContact CB-CD2 3.51Å; H392-Y480 HydrophobicContact CB-CE2 4.25Å; H392-Y480 HydrophobicContact CB-CG 3.44Å; H392-Y480 VanDerWaalsContact CB-CG 3.44Å; H392-Y480 AromaticContact CD2-CD2 3.83Å; H392-Y480 AromaticContact CD2-CE2 3.66Å; H392-Y480 AromaticContact CD2-CZ 3.85Å; H392-Y480 AromaticContact CG-CD2 3.73Å; H392-Y480 AromaticContact CG-CE2 3.99Å; F433-Y480 WeakPolarHBondContact CE1-O 3.41Å; F433-Y480 WeakPolarHBondContact CZ-O 3.31Å; R477-Y480 WeakPolarHBondContact O-CE1 3.35Å; C478-Y480 VanDerWaalsContact C-N 3.28Å; C478-Y480 PolarHBondContact O-N 3.29Å |
| 481 | K | 80.9 | Confident | 77.3 | Confident | 112 Ų | 112 | 63 Ų | 63 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -110.4 | 14.3 | 176.8 | -58.7 | -175.2 | 178 | -166.7 | 0 | 111.7 | V451 C478 H479 E483 | V451-K481 HydrophobicContact CG1-CB 3.83Å; V451-K481 WeakPolarHBondContact CG1-O 3.46Å; C478-K481 WeakPolarHBondContact O-CB 3.42Å; C478-K481 PolarHBondContact O-N 3.41Å; H479-K481 PolarHBondContact O-N 3.31Å; K481-E483 PolarHBondContact O-N 2.69Å |
| 482 | T | 64.9 | Low | 76 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | trans | -74.4 | 122.3 | 179.1 | 54 | 0 | 0 | 0 | 0 | 109 | F433 N434 F438 V451 M472 H479 | F433-T482 VanDerWaalsContact CD1-OG1 3.28Å; F433-T482 WeakPolarHBondContact CD1-OG1 3.27Å; N434-T482 PolarHBondContact ND2-O 3.44Å; F438-T482 HydrophobicContact CE2-CG2 4.36Å; F438-T482 HydrophobicContact CZ-CG2 3.82Å; V451-T482 HydrophobicContact CG2-CG2 3.48Å; V451-T482 VanDerWaalsContact CG2-CG2 3.48Å; M472-T482 HydrophobicContact CE-CG2 3.31Å; M472-T482 HydrophobicContact SD-CG2 4.41Å; H479-T482 VanDerWaalsContact O-CG2 3.26Å; H479-T482 WeakPolarHBondContact O-CG2 3.4Å; H479-T482 PolarHBondContact O-OG1 3.36Å | ||
| 483 | E | 62.9 | Low | 75.1 | Confident | 127 Ų | 127 | 66.3 Ų | 66.3 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | trans | -82.3 | -30.8 | -171.4 | -61.4 | 177.5 | 167.2 | 0 | 0 | 112.9 | K481 | K481-E483 PolarHBondContact O-N 2.69Š| ||
| 484 | T | 59.5 | Low | 74 | Confident | 94 Ų | 94 | 67 Ų | 67 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -94.3 | 147.1 | -178.1 | 54 | 0 | 0 | 0 | 0 | 112.2 | H436 | H436-T484 PolarHBondContact NE2-O 2.82Š|
| 485 | H | 69.7 | Low | 73 | Confident | 115 Ų | 115 | 75 Ų | 75 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 149.6 | 168.2 | -71 | -100.5 | 0 | 0 | 0 | 110.5 | N434 E435 P487 | N434-H485 WeakPolarHBondContact O-CA 3.39Å; E435-H485 IonicContact OE1-ND1 2.83Å; H485-P487 WeakPolarHBondContact O-CD 3.44Å |
| 486 | C | 66.2 | Low | 71.8 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 117 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | N434 E435 H436 S488 S489 | N434-C486 PolarHBondContact O-N 3.28Å; N434-C486 VanDerWaalsContact O-N 3.07Å; E435-C486 VanDerWaalsContact C-CB 3.41Å; E435-C486 HydrophobicContact CB-CB 4.06Å; E435-C486 WeakPolarHBondContact O-CB 3.44Å; H436-C486 HydrophobicContact CB-CB 4.38Å; H436-C486 WeakPolarHBondContact CE1-CA 3.48Å; H436-C486 VanDerWaalsContact CE1-CB 3.48Å; H436-C486 WeakPolarHBondContact CE1-CB 3.45Å; H436-C486 VanDerWaalsContact ND1-CB 3.31Å; H436-C486 WeakPolarHBondContact ND1-CB 3.34Å; H436-C486 PolarHBondContact ND1-SG 2.94Å; C486-S488 PolarHBondContact O-N 3.29Å; C486-S489 PolarHBondContact O-N 3.17Å |
| 487 | P | 69.8 | Low | 69.8 | Low | 113 Ų | 113 | 76.6 Ų | 76.6 | 73% | 0.734 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.8 | -177.2 | 29.7 | -37.2 | 0 | 0 | 0 | 113.4 | C470 H485 | C470-P487 HydrophobicContact CB-CG 4.09Å; H485-P487 WeakPolarHBondContact O-CD 3.44Å |
| 488 | S | 80.6 | Confident | 67.6 | Low | 70 Ų | 70 | 74.3 Ų | 74.3 | 49% | 0.49 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 24 | -179.5 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | D469 C486 N490 | D469-S488 VanDerWaalsContact CB-O 3.28Å; D469-S488 WeakPolarHBondContact CB-O 3.48Å; C486-S488 PolarHBondContact O-N 3.29Å; S488-N490 PolarHBondContact O-N 2.9Å |
| 489 | S | 70.7 | Confident | 65.5 | Low | 23 Ų | 23 | 79 Ų | 79 | 16% | 0.161 | 43% | 0.427 | C | S | . | . | trans | -47 | 127 | -176.3 | -179.7 | 0 | 0 | 0 | 0 | 112 | E435 C486 | E435-S489 PolarHBondContact O-OG 3.38Å; C486-S489 PolarHBondContact O-N 3.17Å | ||
| 490 | N | 72 | Confident | 63.5 | Low | 78 Ų | 78 | 81 Ų | 81 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | trans | -116.1 | 19.3 | 175.2 | -154.4 | 14 | 0 | 0 | 0 | 111.9 | S488 F492 N493 | S488-N490 PolarHBondContact O-N 2.9Å; N490-F492 VanDerWaalsContact C-N 3.26Å; N490-F492 PolarHBondContact O-N 2.91Å; N490-N493 PolarHBondContact O-N 3.17Å; N490-N493 PolarHBondContact OD1-ND2 2.9Å | ||
| 491 | I | 63.8 | Low | 61.5 | Low | 36 Ų | 36 | 81 Ų | 81 | 19% | 0.185 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -63.3 | -33.6 | -176.3 | -72 | 161.9 | 0 | 0 | 0 | 111.6 | V432 E435 T437 N493 L494 | V432-I491 HydrophobicContact CG1-CD1 3.48Å; V432-I491 VanDerWaalsContact CG1-CD1 3.48Å; V432-I491 HydrophobicContact CG1-CG1 4.25Å; E435-I491 HydrophobicContact CB-CD1 4.18Å; E435-I491 WeakPolarHBondContact O-CD1 3.35Å; T437-I491 WeakPolarHBondContact OG1-CG1 3.49Å; I491-N493 PolarHBondContact O-N 2.81Å; I491-N493 VanDerWaalsContact O-N 3.13Å; I491-L494 HydrophobicContact CB-CD1 4.39Å; I491-L494 HydrophobicContact CG1-CD1 4.26Å; I491-L494 HydrophobicContact CG2-CD1 4.31Å; I491-L494 VanDerWaalsContact O-CB 3.23Å; I491-L494 WeakPolarHBondContact O-CB 3.47Å; I491-L494 WeakPolarHBondContact O-CG 3.31Å; I491-L494 PolarHBondContact O-N 2.91Å |
| 492 | F | 63.3 | Low | 59.5 | Low | 163 Ų | 163 | 83.9 Ų | 83.9 | 72% | 0.715 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -61.7 | -21.3 | 179.1 | -51.6 | -73.6 | 0 | 0 | 0 | 113.3 | N490 | N490-F492 VanDerWaalsContact C-N 3.26Å; N490-F492 PolarHBondContact O-N 2.91Å |
| 493 | N | 68.9 | Low | 58.4 | Low | 124 Ų | 124 | 87.9 Ų | 87.9 | 66% | 0.663 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -87.8 | -4.7 | 174.9 | -74.6 | -22.4 | 0 | 0 | 0 | 113.3 | N490 I491 H495 | N490-N493 PolarHBondContact O-N 3.17Å; N490-N493 PolarHBondContact OD1-ND2 2.9Å; I491-N493 PolarHBondContact O-N 2.81Å; I491-N493 VanDerWaalsContact O-N 3.13Å; N493-H495 PolarHBondContact O-N 2.84Å; N493-H495 VanDerWaalsContact O-N 3.08Å |
| 494 | L | 67.3 | Low | 57.1 | Low | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.115 | 48% | 0.481 | C | S | . | . | trans | -77.4 | 91.3 | 170.2 | -53.7 | 175.3 | 0 | 0 | 0 | 107.6 | Y407 I491 I496 | Y407-L494 HydrophobicContact CD1-CD2 3.86Å; Y407-L494 HydrophobicContact CD2-CB 4.15Å; Y407-L494 HydrophobicContact CD2-CD2 4.2Å; Y407-L494 HydrophobicContact CE1-CD2 3.42Å; Y407-L494 VanDerWaalsContact CE1-CD2 3.42Å; Y407-L494 HydrophobicContact CE2-CB 4.45Å; Y407-L494 HydrophobicContact CE2-CD2 3.79Å; Y407-L494 HydrophobicContact CG-CB 4.19Å; Y407-L494 HydrophobicContact CG-CD2 4.23Å; I491-L494 HydrophobicContact CB-CD1 4.39Å; I491-L494 HydrophobicContact CG1-CD1 4.26Å; I491-L494 HydrophobicContact CG2-CD1 4.31Å; I491-L494 VanDerWaalsContact O-CB 3.23Å; I491-L494 WeakPolarHBondContact O-CB 3.47Å; I491-L494 WeakPolarHBondContact O-CG 3.31Å; I491-L494 PolarHBondContact O-N 2.91Å; L494-I496 VanDerWaalsContact C-N 3.27Å; L494-I496 HydrophobicContact CB-CG1 4.38Å; L494-I496 PolarHBondContact O-N 2.9Å | ||
| 495 | H | 63.9 | Low | 56.1 | Low | 168 Ų | 168 | 81.4 Ų | 81.4 | 78% | 0.778 | 46% | 0.459 | S | S | * | . | trans | -69 | 86.3 | 176.7 | -150.2 | -79.2 | 0 | 0 | 0 | 109.4 | N493 P497 | N493-H495 PolarHBondContact O-N 2.84Å; N493-H495 VanDerWaalsContact O-N 3.08Å; H495-P497 WeakPolarHBondContact O-CD 3.33Å | ||
| 496 | I | 59.4 | Low | 54.4 | Low | 62 Ų | 62 | 82 Ų | 82 | 32% | 0.318 | 46% | 0.461 | S | S | . | . | trans | -84.5 | 109.9 | 176.8 | -60.4 | 167.6 | 0 | 0 | 0 | 106.4 | V396 L409 L494 A498 | V396-I496 HydrophobicContact CG1-CD1 4.4Å; V396-I496 HydrophobicContact CG2-CD1 4.14Å; L409-I496 HydrophobicContact CB-CG2 3.99Å; L494-I496 VanDerWaalsContact C-N 3.27Å; L494-I496 HydrophobicContact CB-CG1 4.38Å; L494-I496 PolarHBondContact O-N 2.9Å; I496-A498 PolarHBondContact O-N 2.86Å | ||
| 497 | P | 48.1 | Very low | 52.8 | Low | 57 Ų | 57 | 88.6 Ų | 88.6 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | trans | -62.2 | 128.2 | 175 | 21 | -18.9 | 0 | 0 | 0 | 108.3 | Y407 H495 D499 | Y407-P497 WeakPolarHBondContact O-CD 3.33Å; H495-P497 WeakPolarHBondContact O-CD 3.33Å; P497-D499 PolarHBondContact O-N 2.76Å; P497-D499 VanDerWaalsContact O-N 3.1Å | ||
| 498 | A | 38.9 | Very low | 51.1 | Low | 116 Ų | 116 | 87 Ų | 87 | 96% | 0.959 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -62.3 | -14.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I496 | I496-A498 PolarHBondContact O-N 2.86Š|
| 499 | D | 39.6 | Very low | 49 | Very low | 106 Ų | 106 | 85.7 Ų | 85.7 | 57% | 0.567 | 47% | 0.469 | S | S | * | . | trans | -117 | 114.8 | -172.9 | -173.7 | 11.8 | 0 | 0 | 0 | 111.9 | P497 S501 | P497-D499 PolarHBondContact O-N 2.76Å; P497-D499 VanDerWaalsContact O-N 3.1Å; D499-S501 WeakPolarHBondContact OD1-CB 3.42Å; D499-S501 PolarHBondContact OD1-N 2.85Å; D499-S501 PolarHBondContact OD1-OG 2.83Å; D499-S501 VanDerWaalsContact OD1-OG 3.05Å; D499-S501 PolarHBondContact OD2-OG 2.91Å | ||
| 500 | L | 42 | Very low | 47.1 | Very low | 41 Ų | 41 | 88.6 Ų | 88.6 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | trans | -91.5 | 8 | 177.4 | -76.3 | 165.1 | 0 | 0 | 0 | 112.9 | Y408 H502 Y503 I505 | Y408-L500 HydrophobicContact CD1-CD2 3.81Å; L500-H502 PolarHBondContact O-N 2.85Å; L500-Y503 PolarHBondContact O-N 2.87Å; L500-Y503 VanDerWaalsContact O-N 3.15Å; L500-I505 HydrophobicContact CB-CB 4.36Å; L500-I505 HydrophobicContact CB-CD1 4.38Å; L500-I505 HydrophobicContact CD1-CD1 4.43Å | ||
| 501 | S | 38.5 | Very low | 45.1 | Very low | 65 Ų | 65 | 93 Ų | 93 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -50.5 | -32.1 | -177.3 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | D499 Y503 G504 | D499-S501 WeakPolarHBondContact OD1-CB 3.42Å; D499-S501 PolarHBondContact OD1-N 2.85Å; D499-S501 PolarHBondContact OD1-OG 2.83Å; D499-S501 VanDerWaalsContact OD1-OG 3.05Å; D499-S501 PolarHBondContact OD2-OG 2.91Å; S501-Y503 PolarHBondContact O-N 2.77Å; S501-Y503 VanDerWaalsContact O-N 3.08Å; S501-G504 PolarHBondContact O-N 2.96Å; S501-G504 VanDerWaalsContact O-N 3.15Å |
| 502 | H | 39.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 98 Ų | 98 | 80% | 0.801 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -65.5 | -12.9 | -177.1 | -136.1 | 50.7 | 0 | 0 | 0 | 115.5 | L500 | L500-H502 PolarHBondContact O-N 2.85Š|
| 503 | Y | 41.7 | Very low | 42 | Very low | 87 Ų | 87 | 93.5 Ų | 93.5 | 34% | 0.341 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -112.7 | 17.9 | 176.8 | -81.2 | -81.5 | 0 | 0 | 0 | 114 | E401 Y408 L423 L500 S501 I505 | E401-Y503 PolarHBondContact OE1-OH 2.84Å; E401-Y503 VanDerWaalsContact OE1-OH 3.13Å; Y408-Y503 HydrophobicContact CE1-CD2 4.13Å; Y408-Y503 AromaticContact CE1-CE2 3.88Å; Y408-Y503 HydrophobicContact CE1-CE2 3.88Å; Y408-Y503 AromaticContact CZ-CE2 3.84Å; L423-Y503 HydrophobicContact CD1-CE2 4.49Å; L500-Y503 PolarHBondContact O-N 2.87Å; L500-Y503 VanDerWaalsContact O-N 3.15Å; S501-Y503 PolarHBondContact O-N 2.77Å; S501-Y503 VanDerWaalsContact O-N 3.08Å; Y503-I505 VanDerWaalsContact C-N 3.25Å; Y503-I505 PolarHBondContact O-N 2.89Å |
| 504 | G | 35.3 | Very low | 40.1 | Very low | 66 Ų | 66 | 91.4 Ų | 91.4 | 68% | 0.68 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 16.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S501 H506 | S501-G504 PolarHBondContact O-N 2.96Å; S501-G504 VanDerWaalsContact O-N 3.15Å; G504-H506 PolarHBondContact O-N 3.18Å |
| 505 | I | 39.3 | Very low | 38.2 | Very low | 20 Ų | 20 | 95.1 Ų | 95.1 | 10% | 0.103 | 51% | 0.509 | C | S | . | . | trans | -84.5 | 75.4 | 169.5 | -53.2 | 172.8 | 0 | 0 | 0 | 106 | V420 L500 Y503 | V420-I505 HydrophobicContact CG2-CD1 3.9Å; L500-I505 HydrophobicContact CB-CB 4.36Å; L500-I505 HydrophobicContact CB-CD1 4.38Å; L500-I505 HydrophobicContact CD1-CD1 4.43Å; Y503-I505 VanDerWaalsContact C-N 3.25Å; Y503-I505 PolarHBondContact O-N 2.89Å | ||
| 506 | H | 33.4 | Very low | 36.5 | Very low | 128 Ų | 128 | 96.6 Ų | 96.6 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | trans | -68.3 | 150.8 | -179 | -151.8 | -93.6 | 0 | 0 | 0 | 109.6 | G504 T508 V509 | G504-H506 PolarHBondContact O-N 3.18Å; H506-T508 PolarHBondContact O-N 3.26Å; H506-V509 PolarHBondContact O-N 3.47Å | ||
| 507 | E | 32.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 97.4 Ų | 97.4 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -49.9 | -17.8 | -179.7 | -158.8 | 174.8 | -176 | 0 | 0 | 114 | L510 R511 | E507-L510 PolarHBondContact O-N 3.44Å; E507-R511 PolarHBondContact O-N 2.97Å |
| 508 | T | 34.5 | Very low | 33.8 | Very low | 81 Ų | 81 | 101.9 Ų | 101.9 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 171.7 | 23.9 | 0 | 0 | 0 | 0 | 114.1 | H506 L510 R511 E512 | H506-T508 PolarHBondContact O-N 3.26Å; T508-L510 VanDerWaalsContact C-N 3.34Å; T508-R511 CarbonylContact O-C 3.59Å; T508-R511 PolarHBondContact O-N 3.24Å; T508-E512 PolarHBondContact O-N 2.79Å |
| 509 | V | 36 | Very low | 33.1 | Very low | 42 Ų | 42 | 100 Ų | 100 | 26% | 0.255 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -34.5 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | L414 L417 H506 E512 T513 | L414-V509 HydrophobicContact CD2-CG1 3.95Å; L417-V509 HydrophobicContact CD1-CG1 4.02Å; H506-V509 PolarHBondContact O-N 3.47Å; V509-E512 PolarHBondContact O-N 3.32Å; V509-T513 PolarHBondContact O-N 2.9Å; V509-T513 PolarHBondContact O-OG1 3Å |
| 510 | L | 30.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 169.9 | -80.5 | 164.9 | 0 | 0 | 0 | 110.8 | E507 T508 E512 T513 I514 | E507-L510 PolarHBondContact O-N 3.44Å; T508-L510 VanDerWaalsContact C-N 3.34Å; L510-E512 PolarHBondContact O-N 3.42Å; L510-T513 PolarHBondContact O-N 2.81Å; L510-I514 WeakPolarHBondContact O-CB 3.35Å; L510-I514 WeakPolarHBondContact O-CD1 3.46Å; L510-I514 WeakPolarHBondContact O-CG1 3.5Å; L510-I514 PolarHBondContact O-N 2.94Å |
| 511 | R | 29.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 107.6 Ų | 107.6 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.1 | -36.5 | 173.6 | -89 | -177.1 | 171 | -177.7 | -0.6 | 113.4 | E507 T508 N515 | E507-R511 PolarHBondContact O-N 2.97Å; T508-R511 CarbonylContact O-C 3.59Å; T508-R511 PolarHBondContact O-N 3.24Å; R511-N515 WeakPolarHBondContact O-CB 3.35Å; R511-N515 PolarHBondContact O-N 2.89Å; R511-N515 PolarHBondContact O-ND2 3.2Å |
| 512 | E | 31.6 | Very low | 31 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 66% | 0.659 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -72.9 | -36.3 | 176.9 | -76.3 | -179.1 | 173 | 0 | 0 | 112.2 | T508 V509 L510 N515 Y516 | T508-E512 PolarHBondContact O-N 2.79Å; V509-E512 PolarHBondContact O-N 3.32Å; L510-E512 PolarHBondContact O-N 3.42Å; E512-N515 PolarHBondContact O-N 2.83Å; E512-Y516 PolarHBondContact O-N 2.83Å |
| 513 | T | 30.4 | Very low | 30.3 | Very low | 68 Ų | 68 | 115 Ų | 115 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.5 | -36.3 | 176.2 | -36.9 | 0 | 0 | 0 | 0 | 111.5 | V509 L510 N515 Y516 S517 | V509-T513 PolarHBondContact O-N 2.9Å; V509-T513 PolarHBondContact O-OG1 3Å; L510-T513 PolarHBondContact O-N 2.81Å; T513-N515 VanDerWaalsContact C-N 3.34Å; T513-Y516 PolarHBondContact O-N 2.95Å; T513-S517 PolarHBondContact O-N 2.76Å; T513-S517 PolarHBondContact O-OG 3.32Å |
| 514 | I | 29.9 | Very low | 29.4 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 42% | 0.415 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.7 | -34.3 | 171 | -68.6 | 167.1 | 0 | 0 | 0 | 110.2 | L510 Y516 S517 Y518 | L510-I514 WeakPolarHBondContact O-CB 3.35Å; L510-I514 WeakPolarHBondContact O-CD1 3.46Å; L510-I514 WeakPolarHBondContact O-CG1 3.5Å; L510-I514 PolarHBondContact O-N 2.94Å; I514-Y516 VanDerWaalsContact C-N 3.32Å; I514-Y516 PolarHBondContact O-N 3.13Å; I514-S517 PolarHBondContact O-N 3.08Å; I514-S517 PolarHBondContact O-OG 3.49Å; I514-Y518 HydrophobicContact CG2-CD2 3.47Å; I514-Y518 VanDerWaalsContact CG2-CD2 3.47Å; I514-Y518 HydrophobicContact CG2-CE2 3.81Å; I514-Y518 HydrophobicContact CG2-CG 4.48Å; I514-Y518 VanDerWaalsContact O-CB 3.29Å; I514-Y518 WeakPolarHBondContact O-CB 3.39Å; I514-Y518 WeakPolarHBondContact O-CD2 3.25Å; I514-Y518 PolarHBondContact O-N 3.2Å |
| 515 | N | 27.9 | Very low | 28.8 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 54% | 0.535 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.6 | -25.6 | 176 | -78 | -20.3 | 0 | 0 | 0 | 113 | R511 E512 T513 S519 | R511-N515 WeakPolarHBondContact O-CB 3.35Å; R511-N515 PolarHBondContact O-N 2.89Å; R511-N515 PolarHBondContact O-ND2 3.2Å; E512-N515 PolarHBondContact O-N 2.83Å; T513-N515 VanDerWaalsContact C-N 3.34Å; N515-S519 VanDerWaalsContact O-CB 3.29Å; N515-S519 WeakPolarHBondContact O-CB 3.35Å; N515-S519 PolarHBondContact O-N 3.46Å; N515-S519 PolarHBondContact O-OG 3.41Å |
| 516 | Y | 26.4 | Very low | 28.4 | Very low | 198 Ų | 198 | 124.8 Ų | 124.8 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75 | -26.6 | 172.5 | -135.3 | -85.7 | 0 | 0 | 0 | 112.7 | E512 T513 I514 S519 | E512-Y516 PolarHBondContact O-N 2.83Å; T513-Y516 PolarHBondContact O-N 2.95Å; I514-Y516 VanDerWaalsContact C-N 3.32Å; I514-Y516 PolarHBondContact O-N 3.13Å; Y516-S519 PolarHBondContact O-OG 3.26Å |
| 517 | S | 27.7 | Very low | 28.1 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -85.9 | -24.5 | 169.9 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | T513 I514 | T513-S517 PolarHBondContact O-N 2.76Å; T513-S517 PolarHBondContact O-OG 3.32Å; I514-S517 PolarHBondContact O-N 3.08Å; I514-S517 PolarHBondContact O-OG 3.49Å |
| 518 | Y | 24 | Very low | 27.9 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 60% | 0.596 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.7 | -13.2 | 175.4 | -91.4 | -92.4 | 0 | 0 | 0 | 114.7 | I514 L520 Y521 | I514-Y518 HydrophobicContact CG2-CD2 3.47Å; I514-Y518 VanDerWaalsContact CG2-CD2 3.47Å; I514-Y518 HydrophobicContact CG2-CE2 3.81Å; I514-Y518 HydrophobicContact CG2-CG 4.48Å; I514-Y518 VanDerWaalsContact O-CB 3.29Å; I514-Y518 WeakPolarHBondContact O-CB 3.39Å; I514-Y518 WeakPolarHBondContact O-CD2 3.25Å; I514-Y518 PolarHBondContact O-N 3.2Å; Y518-L520 PolarHBondContact O-N 3.26Å; Y518-L520 VanDerWaalsContact O-N 3.16Å; Y518-Y521 PolarHBondContact O-N 2.77Å |
| 519 | S | 25.1 | Very low | 27.5 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -15.1 | 178 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | N515 Y516 | N515-S519 VanDerWaalsContact O-CB 3.29Å; N515-S519 WeakPolarHBondContact O-CB 3.35Å; N515-S519 PolarHBondContact O-N 3.46Å; N515-S519 PolarHBondContact O-OG 3.41Å; Y516-S519 PolarHBondContact O-OG 3.26Å |
| 520 | L | 25.4 | Very low | 27 | Very low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -21.3 | 170.6 | -79.3 | 162.6 | 0 | 0 | 0 | 113.3 | Y518 | Y518-L520 PolarHBondContact O-N 3.26Å; Y518-L520 VanDerWaalsContact O-N 3.16Å |
| 521 | Y | 25.3 | Very low | 26.8 | Very low | 176 Ų | 176 | 134 Ų | 134 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -2.4 | -171.9 | -115.2 | -83.4 | 0 | 0 | 0 | 115 | Y518 | Y518-Y521 PolarHBondContact O-N 2.77Š|
| 522 | R | 23.5 | Very low | 26.6 | Very low | 225 Ų | 225 | 131.5 Ų | 131.5 | 85% | 0.849 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 6.9 | 178.8 | -121.1 | -171.7 | -164.1 | -154.3 | 4.7 | 115.7 | G524 | R522-G524 PolarHBondContact O-N 2.74Š|
| 523 | M | 24.7 | Very low | 26.2 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 83% | 0.828 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 10.9 | 171 | -71.5 | -159.8 | -63.5 | 0 | 0 | 114.5 | ||
| 524 | G | 23.9 | Very low | 25.9 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 15.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | R522 | R522-G524 PolarHBondContact O-N 2.74Š|
| 525 | A | 22.9 | Very low | 25.5 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -117.6 | 71.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 526 | V | 29.6 | Very low | 25.3 | Very low | 217 Ų | 217 | 143.9 Ų | 143.9 | 100% | 1.315 | 76% | 0.755 | S | S | * | * | trans | -133.8 | 0 | 144.9 | 177.2 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 526 of 526 residues in 329.9 ms
(Link to these results)