| 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 | 60.7 | Low | 71 | Confident | 215 Ų | 215 | 120.6 Ų | 120.6 | 100% | 1.059 | 63% | 0.629 | S | S | * | * | 0 | -30.3 | 0 | -68.7 | -176.2 | -149.9 | 0 | 0 | 114.1 | |||||
| 2 | V | 65.1 | Low | 71.2 | Confident | 104 Ų | 104 | 117.9 Ų | 117.9 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.8 | -40.6 | -177.8 | -179.1 | 0 | 0 | 0 | 0 | 113.5 | L4 R5 H6 | V2-L4 PolarHBondContact O-N 3.15Å; V2-R5 WeakPolarHBondContact O-CB 3.47Å; V2-R5 PolarHBondContact O-N 3.43Å; V2-H6 WeakPolarHBondContact CG1-NE2 3.39Å; V2-H6 PolarHBondContact O-CD2 3.1Å; V2-H6 PolarHBondContact O-N 2.95Å |
| 3 | L | 67.9 | Low | 71.8 | Confident | 133 Ų | 133 | 113.4 Ų | 113.4 | 70% | 0.696 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.2 | -41.3 | -177.9 | -161.6 | 76.3 | 0 | 0 | 0 | 113.4 | R5 H6 I7 | L3-R5 VanDerWaalsContact C-N 3.28Å; L3-R5 PolarHBondContact O-N 3.15Å; L3-H6 PolarHBondContact O-N 3.34Å; L3-I7 HydrophobicContact CG-CD1 4.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.21Å; L3-I7 VanDerWaalsContact O-N 3.15Å |
| 4 | L | 67.9 | Low | 72.6 | Confident | 135 Ų | 135 | 108.7 Ų | 108.7 | 71% | 0.707 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.3 | -33.4 | 176.8 | -81.9 | 140.5 | 0 | 0 | 0 | 112.4 | V2 S8 | V2-L4 PolarHBondContact O-N 3.15Å; L4-S8 WeakPolarHBondContact O-CB 3.36Å; L4-S8 PolarHBondContact O-N 3.38Å |
| 5 | R | 67.4 | Low | 73.5 | Confident | 186 Ų | 186 | 108.1 Ų | 108.1 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.6 | -40.5 | 178.6 | -163.7 | 176.7 | -179.9 | -175.2 | -0.3 | 111.5 | V2 L3 S8 I9 | V2-R5 WeakPolarHBondContact O-CB 3.47Å; V2-R5 PolarHBondContact O-N 3.43Å; L3-R5 VanDerWaalsContact C-N 3.28Å; L3-R5 PolarHBondContact O-N 3.15Å; R5-S8 PolarHBondContact O-N 3.32Å; R5-I9 HydrophobicContact CG-CD1 4.16Å; R5-I9 WeakPolarHBondContact O-CD1 3.44Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.3Å |
| 6 | H | 73.7 | Confident | 74.2 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.6 | -38.8 | 176.4 | -68.4 | -67 | 0 | 0 | 0 | 112.8 | V2 L3 I9 A10 | V2-H6 WeakPolarHBondContact CG1-NE2 3.39Å; V2-H6 PolarHBondContact O-CD2 3.1Å; V2-H6 PolarHBondContact O-N 2.95Å; L3-H6 PolarHBondContact O-N 3.34Å; H6-I9 PolarHBondContact O-N 3.17Å; H6-A10 WeakPolarHBondContact O-CB 3.35Å; H6-A10 PolarHBondContact O-N 3.42Å |
| 7 | I | 76.4 | Confident | 74.8 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 48% | 0.477 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -43.8 | 175.3 | -65 | 165.4 | 0 | 0 | 0 | 110.3 | L3 I9 A10 L11 | L3-I7 HydrophobicContact CG-CD1 4.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.21Å; L3-I7 VanDerWaalsContact O-N 3.15Å; I7-I9 PolarHBondContact O-N 2.96Å; I7-A10 PolarHBondContact O-N 2.95Å; I7-L11 HydrophobicContact CG2-CD1 4.5Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 PolarHBondContact O-N 3.38Å |
| 8 | S | 72.2 | Confident | 75.5 | Confident | 71 Ų | 71 | 105.6 Ų | 105.6 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | L4 R5 L11 T12 | L4-S8 WeakPolarHBondContact O-CB 3.36Å; L4-S8 PolarHBondContact O-N 3.38Å; R5-S8 PolarHBondContact O-N 3.32Å; S8-L11 PolarHBondContact O-N 2.97Å; S8-T12 WeakPolarHBondContact O-CG2 3.46Å; S8-T12 PolarHBondContact O-N 2.72Å; S8-T12 PolarHBondContact O-OG1 3.02Å; S8-T12 VanDerWaalsContact O-OG1 3.13Å |
| 9 | I | 77.4 | Confident | 75.9 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.2 | -40.3 | 176.4 | -66.7 | 163.8 | 0 | 0 | 0 | 111.4 | R5 H6 I7 L11 T12 A13 | R5-I9 HydrophobicContact CG-CD1 4.16Å; R5-I9 WeakPolarHBondContact O-CD1 3.44Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.3Å; H6-I9 PolarHBondContact O-N 3.17Å; I7-I9 PolarHBondContact O-N 2.96Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-T12 WeakPolarHBondContact CA-OG1 3.5Å; I9-T12 PolarHBondContact O-OG1 2.98Å; I9-A13 WeakPolarHBondContact O-CB 3.24Å; I9-A13 PolarHBondContact O-N 3.13Å |
| 10 | A | 77.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 100.6 Ų | 100.6 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H6 I7 A14 | H6-A10 WeakPolarHBondContact O-CB 3.35Å; H6-A10 PolarHBondContact O-N 3.42Å; I7-A10 PolarHBondContact O-N 2.95Å; A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-A14 PolarHBondContact O-N 3.47Å |
| 11 | L | 75.1 | Confident | 76.9 | Confident | 114 Ų | 114 | 98.5 Ų | 98.5 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.8 | -43.3 | 178.5 | -133.1 | 118 | 0 | 0 | 0 | 111.8 | I7 S8 I9 A14 V15 | I7-L11 HydrophobicContact CG2-CD1 4.5Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 PolarHBondContact O-N 3.38Å; S8-L11 PolarHBondContact O-N 2.97Å; I9-L11 VanDerWaalsContact C-N 3.33Å; L11-A14 PolarHBondContact O-N 3.04Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.48Å |
| 12 | T | 73.1 | Confident | 78.2 | Confident | 88 Ų | 88 | 93.4 Ų | 93.4 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 177.2 | 50.6 | 0 | 0 | 0 | 0 | 112 | S8 I9 V15 A16 | S8-T12 WeakPolarHBondContact O-CG2 3.46Å; S8-T12 PolarHBondContact O-N 2.72Å; S8-T12 PolarHBondContact O-OG1 3.02Å; S8-T12 VanDerWaalsContact O-OG1 3.13Å; I9-T12 WeakPolarHBondContact CA-OG1 3.5Å; I9-T12 PolarHBondContact O-OG1 2.98Å; T12-V15 PolarHBondContact O-N 3Å; T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 3.43Å |
| 13 | A | 79.6 | Confident | 79 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I9 A16 A17 | I9-A13 WeakPolarHBondContact O-CB 3.24Å; I9-A13 PolarHBondContact O-N 3.13Å; A13-A16 PolarHBondContact O-N 3.31Å; A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 3Å |
| 14 | A | 82.1 | Confident | 79.8 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 40% | 0.397 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A10 L11 A16 A17 F18 | A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-A14 PolarHBondContact O-N 3.47Å; L11-A14 PolarHBondContact O-N 3.04Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.03Å; A14-A17 PolarHBondContact O-N 3.42Å; A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 3.32Å |
| 15 | V | 86.2 | Confident | 80.6 | Confident | 99 Ų | 99 | 90.6 Ų | 90.6 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L11 T12 G19 | L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.48Å; T12-V15 PolarHBondContact O-N 3Å; V15-G19 PolarHBondContact O-N 3.08Å |
| 16 | A | 84.4 | Confident | 81.2 | Confident | 58 Ų | 58 | 85.5 Ų | 85.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T12 A13 A14 G19 S20 | T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 3.43Å; A13-A16 PolarHBondContact O-N 3.31Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.03Å; A16-G19 PolarHBondContact O-N 3.38Å; A16-S20 WeakPolarHBondContact O-CB 3.35Å; A16-S20 PolarHBondContact O-N 3.46Å; A16-S20 PolarHBondContact O-OG 2.79Å |
| 17 | A | 85.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 83.8 Ų | 83.8 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A13 A14 S20 A21 | A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 3Å; A14-A17 PolarHBondContact O-N 3.42Å; A17-S20 PolarHBondContact O-N 3.5Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.41Å |
| 18 | F | 86.9 | Confident | 81.6 | Confident | 162 Ų | 162 | 86 Ų | 86 | 71% | 0.711 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 175.4 | -94.5 | -83.2 | 0 | 0 | 0 | 112.3 | A14 S20 A21 L22 | A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 3.32Å; F18-S20 VanDerWaalsContact C-N 3.31Å; F18-S20 PolarHBondContact O-N 3.45Å; F18-A21 PolarHBondContact O-N 2.89Å; F18-L22 VanDerWaalsContact O-CB 3.25Å; F18-L22 WeakPolarHBondContact O-CB 3.2Å; F18-L22 PolarHBondContact O-N 3.45Å |
| 19 | G | 82.6 | Confident | 81.9 | Confident | 41 Ų | 41 | 88.1 Ų | 88.1 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V15 A16 F23 | V15-G19 PolarHBondContact O-N 3.08Å; A16-G19 PolarHBondContact O-N 3.38Å; G19-F23 VanDerWaalsContact O-CB 3.28Å; G19-F23 WeakPolarHBondContact O-CB 3.28Å; G19-F23 PolarHBondContact O-N 3.44Å |
| 20 | S | 83.7 | Confident | 81.3 | Confident | 69 Ų | 69 | 90 Ų | 90 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | A16 A17 F18 F23 I24 | A16-S20 WeakPolarHBondContact O-CB 3.35Å; A16-S20 PolarHBondContact O-N 3.46Å; A16-S20 PolarHBondContact O-OG 2.79Å; A17-S20 PolarHBondContact O-N 3.5Å; F18-S20 VanDerWaalsContact C-N 3.31Å; F18-S20 PolarHBondContact O-N 3.45Å; S20-F23 PolarHBondContact O-N 2.91Å; S20-I24 WeakPolarHBondContact O-CB 3.25Å; S20-I24 WeakPolarHBondContact O-CD1 3.44Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.36Å |
| 21 | A | 89.9 | Confident | 80.5 | Confident | 58 Ų | 58 | 97 Ų | 97 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A17 F18 I24 A25 | A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.41Å; F18-A21 PolarHBondContact O-N 2.89Å; A21-I24 PolarHBondContact O-N 2.88Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.19Å; A21-A25 PolarHBondContact O-N 3.39Å |
| 22 | L | 87.2 | Confident | 79.9 | Confident | 108 Ų | 108 | 100.6 Ų | 100.6 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -40.9 | 176.5 | -174.7 | 64.7 | 0 | 0 | 0 | 111.4 | F18 A25 L26 | F18-L22 VanDerWaalsContact O-CB 3.25Å; F18-L22 WeakPolarHBondContact O-CB 3.2Å; F18-L22 PolarHBondContact O-N 3.45Å; L22-A25 PolarHBondContact O-N 2.94Å; L22-L26 HydrophobicContact CD1-CD1 4.17Å; L22-L26 HydrophobicContact CD2-CD1 4.5Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 VanDerWaalsContact O-CB 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 PolarHBondContact O-N 3.43Å |
| 23 | F | 81.8 | Confident | 78.9 | Confident | 144 Ų | 144 | 105.3 Ų | 105.3 | 63% | 0.632 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 175.1 | -178.1 | -98.1 | 0 | 0 | 0 | 111.9 | G19 S20 N27 | G19-F23 VanDerWaalsContact O-CB 3.28Å; G19-F23 WeakPolarHBondContact O-CB 3.28Å; G19-F23 PolarHBondContact O-N 3.44Å; S20-F23 PolarHBondContact O-N 2.91Å; F23-N27 WeakPolarHBondContact O-CB 3.26Å; F23-N27 PolarHBondContact O-N 3.38Å |
| 24 | I | 85.2 | Confident | 77.6 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 59% | 0.59 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 176 | -67.7 | 164.5 | 0 | 0 | 0 | 110.7 | S20 A21 N27 Y28 | S20-I24 WeakPolarHBondContact O-CB 3.25Å; S20-I24 WeakPolarHBondContact O-CD1 3.44Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.36Å; A21-I24 PolarHBondContact O-N 2.88Å; I24-N27 PolarHBondContact O-N 2.87Å; I24-Y28 WeakPolarHBondContact O-CB 3.21Å; I24-Y28 PolarHBondContact O-N 3.45Å |
| 25 | A | 85.4 | Confident | 76.1 | Confident | 54 Ų | 54 | 113.2 Ų | 113.2 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -44.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A21 L22 Y28 F29 | A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.19Å; A21-A25 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 2.94Å; A25-Y28 PolarHBondContact O-N 2.99Å; A25-F29 WeakPolarHBondContact O-CB 3.46Å; A25-F29 PolarHBondContact O-N 2.93Å |
| 26 | L | 79.4 | Confident | 74.3 | Confident | 79 Ų | 79 | 110.6 Ų | 110.6 | 41% | 0.414 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 173.2 | -89.5 | 159.1 | 0 | 0 | 0 | 110.7 | L22 Y28 F29 Y30 | L22-L26 HydrophobicContact CD1-CD1 4.17Å; L22-L26 HydrophobicContact CD2-CD1 4.5Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 VanDerWaalsContact O-CB 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 PolarHBondContact O-N 3.43Å; L26-Y28 PolarHBondContact O-N 3.35Å; L26-F29 PolarHBondContact O-N 2.98Å; L26-Y30 HydrophobicContact CD2-CD2 3.91Å; L26-Y30 HydrophobicContact CD2-CE2 3.75Å; L26-Y30 VanDerWaalsContact O-CB 3.24Å; L26-Y30 WeakPolarHBondContact O-CB 3.22Å; L26-Y30 WeakPolarHBondContact O-CD2 3.35Å; L26-Y30 PolarHBondContact O-N 2.86Å |
| 27 | N | 77.8 | Confident | 72.9 | Confident | 83 Ų | 83 | 112.8 Ų | 112.8 | 44% | 0.444 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -43.8 | 178.5 | -170.3 | 24.8 | 0 | 0 | 0 | 110.6 | F23 I24 F29 Y30 R31 | F23-N27 WeakPolarHBondContact O-CB 3.26Å; F23-N27 PolarHBondContact O-N 3.38Å; I24-N27 PolarHBondContact O-N 2.87Å; N27-F29 PolarHBondContact O-N 2.88Å; N27-Y30 PolarHBondContact O-N 2.95Å; N27-R31 WeakPolarHBondContact O-CB 3.47Å; N27-R31 PolarHBondContact O-N 2.8Å |
| 28 | Y | 80.6 | Confident | 71.6 | Confident | 139 Ų | 139 | 116.3 Ų | 116.3 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -42.5 | 175.6 | -177.6 | -100.8 | 0 | 0 | 0 | 112.5 | I24 A25 L26 R32 | I24-Y28 WeakPolarHBondContact O-CB 3.21Å; I24-Y28 PolarHBondContact O-N 3.45Å; A25-Y28 PolarHBondContact O-N 2.99Å; L26-Y28 PolarHBondContact O-N 3.35Å; Y28-R32 WeakPolarHBondContact O-CB 3.24Å; Y28-R32 PolarHBondContact O-N 2.93Å; Y28-R32 VanDerWaalsContact O-N 3.08Å; Y28-R32 PolarHBondContact OH-NE 3.45Å; Y28-R32 PolarHBondContact OH-NH2 2.82Å; Y28-R32 VanDerWaalsContact OH-NH2 3.1Å |
| 29 | F | 78.9 | Confident | 70.1 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.7 | -43.2 | 178.2 | -171.1 | -102.5 | 0 | 0 | 0 | 112.1 | A25 L26 N27 R32 R33 | A25-F29 WeakPolarHBondContact O-CB 3.46Å; A25-F29 PolarHBondContact O-N 2.93Å; L26-F29 PolarHBondContact O-N 2.98Å; N27-F29 PolarHBondContact O-N 2.88Å; F29-R32 PolarHBondContact O-N 3.11Å; F29-R33 VanDerWaalsContact O-CB 3.26Å; F29-R33 WeakPolarHBondContact O-CB 2.84Å; F29-R33 PolarHBondContact O-N 3.31Å |
| 30 | Y | 65.3 | Low | 68.7 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 175 | -93.6 | -79.1 | 0 | 0 | 0 | 111.8 | L26 N27 R32 R33 I34 | L26-Y30 HydrophobicContact CD2-CD2 3.91Å; L26-Y30 HydrophobicContact CD2-CE2 3.75Å; L26-Y30 VanDerWaalsContact O-CB 3.24Å; L26-Y30 WeakPolarHBondContact O-CB 3.22Å; L26-Y30 WeakPolarHBondContact O-CD2 3.35Å; L26-Y30 PolarHBondContact O-N 2.86Å; N27-Y30 PolarHBondContact O-N 2.95Å; Y30-R32 VanDerWaalsContact C-N 3.29Å; Y30-R32 PolarHBondContact O-N 3.49Å; Y30-R33 PolarHBondContact O-N 3.44Å; Y30-I34 HydrophobicContact CD1-CD1 3.5Å; Y30-I34 HydrophobicContact CD1-CG1 3.94Å; Y30-I34 HydrophobicContact CE1-CD1 4.29Å; Y30-I34 HydrophobicContact CG-CD1 4.35Å; Y30-I34 WeakPolarHBondContact O-CA 3.12Å; Y30-I34 VanDerWaalsContact O-CB 3.22Å; Y30-I34 WeakPolarHBondContact O-CB 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.38Å; Y30-I34 PolarHBondContact O-N 2.84Å |
| 31 | R | 60.5 | Low | 67.3 | Low | 208 Ų | 208 | 116.5 Ų | 116.5 | 79% | 0.785 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69 | -26.6 | 174.6 | -136.8 | 179.5 | -162.8 | -130.5 | 2.8 | 113 | N27 | N27-R31 WeakPolarHBondContact O-CB 3.47Å; N27-R31 PolarHBondContact O-N 2.8Å |
| 32 | R | 60.8 | Low | 65.6 | Low | 189 Ų | 189 | 120.3 Ų | 120.3 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.8 | -22.7 | 172.4 | -86.1 | -170.9 | 165.5 | -159.6 | -3.5 | 113.6 | Y28 F29 Y30 | Y28-R32 WeakPolarHBondContact O-CB 3.24Å; Y28-R32 PolarHBondContact O-N 2.93Å; Y28-R32 VanDerWaalsContact O-N 3.08Å; Y28-R32 PolarHBondContact OH-NE 3.45Å; Y28-R32 PolarHBondContact OH-NH2 2.82Å; Y28-R32 VanDerWaalsContact OH-NH2 3.1Å; F29-R32 PolarHBondContact O-N 3.11Å; Y30-R32 VanDerWaalsContact C-N 3.29Å; Y30-R32 PolarHBondContact O-N 3.49Å |
| 33 | R | 53.6 | Low | 63.8 | Low | 188 Ų | 188 | 120 Ų | 120 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -106.1 | -22.5 | -174.8 | -154.1 | 172.6 | -172.1 | 164.6 | 2.1 | 113.7 | F29 Y30 W35 | F29-R33 VanDerWaalsContact O-CB 3.26Å; F29-R33 WeakPolarHBondContact O-CB 2.84Å; F29-R33 PolarHBondContact O-N 3.31Å; Y30-R33 PolarHBondContact O-N 3.44Å; R33-W35 PolarHBondContact O-N 3.32Å |
| 34 | I | 51.3 | Low | 62.4 | Low | 103 Ų | 103 | 117.2 Ų | 117.2 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -87.6 | 84.1 | 167.4 | -60.8 | 172.5 | 0 | 0 | 0 | 107.2 | Y30 S36 | Y30-I34 HydrophobicContact CD1-CD1 3.5Å; Y30-I34 HydrophobicContact CD1-CG1 3.94Å; Y30-I34 HydrophobicContact CE1-CD1 4.29Å; Y30-I34 HydrophobicContact CG-CD1 4.35Å; Y30-I34 WeakPolarHBondContact O-CA 3.12Å; Y30-I34 VanDerWaalsContact O-CB 3.22Å; Y30-I34 WeakPolarHBondContact O-CB 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.38Å; Y30-I34 PolarHBondContact O-N 2.84Å; I34-S36 PolarHBondContact O-N 3.44Å |
| 35 | W | 50.3 | Low | 60.9 | Low | 169 Ų | 169 | 116.5 Ų | 116.5 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | -1.4 | 102 | 127.3 | -162.1 | -70.4 | 0 | 0 | 0 | 112.9 | R33 E40 | R33-W35 PolarHBondContact O-N 3.32Å; W35-E40 HydrophobicContact CZ2-CG 4.11Å; W35-E40 PolarHBondContact NE1-OE2 2.79Å | |||
| 36 | S | 49.6 | Very low | 59.1 | Low | 44 Ų | 44 | 119.3 Ų | 119.3 | 31% | 0.308 | 53% | 0.533 | S | S | . | . | trans | -74.8 | 146.1 | 175.5 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | I34 E38 A39 E40 | I34-S36 PolarHBondContact O-N 3.44Å; S36-E38 PolarHBondContact O-N 2.99Å; S36-E38 VanDerWaalsContact O-N 3.09Å; S36-A39 PolarHBondContact O-N 3.19Å; S36-A39 VanDerWaalsContact OG-CB 3.29Å; S36-A39 WeakPolarHBondContact OG-CB 3.32Å; S36-A39 PolarHBondContact OG-N 3.34Å; S36-E40 PolarHBondContact O-N 3.47Å | ||
| 37 | P | 54.5 | Low | 57.7 | Low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.1 | -28.7 | 170.8 | -25 | 33.4 | 0 | 0 | 0 | 112.3 | Y41 | P37-Y41 WeakPolarHBondContact O-CB 3.28Å; P37-Y41 PolarHBondContact O-N 2.74Å |
| 38 | E | 57.2 | Low | 56.2 | Low | 134 Ų | 134 | 123.3 Ų | 123.3 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.3 | -47.5 | 173.1 | -66.7 | 161.1 | 175.3 | 0 | 0 | 111.5 | S36 Y41 Y42 | S36-E38 PolarHBondContact O-N 2.99Å; S36-E38 VanDerWaalsContact O-N 3.09Å; E38-Y41 CarbonylContact O-C 3.57Å; E38-Y41 WeakPolarHBondContact O-CB 3.43Å; E38-Y41 PolarHBondContact O-N 3.07Å; E38-Y42 HydrophobicContact CB-CD2 4.29Å; E38-Y42 HydrophobicContact CB-CE2 4.04Å; E38-Y42 WeakPolarHBondContact O-CB 3.49Å; E38-Y42 WeakPolarHBondContact O-CD2 3.33Å; E38-Y42 PolarHBondContact O-N 3.3Å |
| 39 | A | 57.1 | Low | 54.7 | Low | 38 Ų | 38 | 122.3 Ų | 122.3 | 31% | 0.314 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S36 Y41 Y42 M43 | S36-A39 PolarHBondContact O-N 3.19Å; S36-A39 VanDerWaalsContact OG-CB 3.29Å; S36-A39 WeakPolarHBondContact OG-CB 3.32Å; S36-A39 PolarHBondContact OG-N 3.34Å; A39-Y41 VanDerWaalsContact C-N 3.3Å; A39-Y41 PolarHBondContact O-N 2.79Å; A39-Y42 PolarHBondContact O-N 3.47Å; A39-M43 WeakPolarHBondContact O-CB 3.29Å; A39-M43 WeakPolarHBondContact O-CG 3.21Å; A39-M43 PolarHBondContact O-N 3.39Å |
| 40 | E | 53 | Low | 53.4 | Low | 91 Ų | 91 | 124.7 Ų | 124.7 | 43% | 0.425 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.2 | -45.4 | 170.9 | -156.2 | 161.8 | 171.9 | 0 | 0 | 111.5 | W35 S36 M43 I44 | W35-E40 HydrophobicContact CZ2-CG 4.11Å; W35-E40 PolarHBondContact NE1-OE2 2.79Å; S36-E40 PolarHBondContact O-N 3.47Å; E40-M43 PolarHBondContact O-N 3.2Å; E40-I44 HydrophobicContact CG-CD1 3.78Å; E40-I44 HydrophobicContact CG-CG1 4.45Å; E40-I44 VanDerWaalsContact O-CB 3.26Å; E40-I44 WeakPolarHBondContact O-CB 3.41Å; E40-I44 WeakPolarHBondContact O-CD1 3.09Å; E40-I44 WeakPolarHBondContact O-CG1 3.24Å; E40-I44 PolarHBondContact O-N 3.4Å |
| 41 | Y | 53.9 | Low | 53.1 | Low | 147 Ų | 147 | 124 Ų | 124 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -41.5 | 178.5 | 178.4 | -95.4 | 0 | 0 | 0 | 112.4 | P37 E38 A39 K45 | P37-Y41 WeakPolarHBondContact O-CB 3.28Å; P37-Y41 PolarHBondContact O-N 2.74Å; E38-Y41 CarbonylContact O-C 3.57Å; E38-Y41 WeakPolarHBondContact O-CB 3.43Å; E38-Y41 PolarHBondContact O-N 3.07Å; A39-Y41 VanDerWaalsContact C-N 3.3Å; A39-Y41 PolarHBondContact O-N 2.79Å; Y41-K45 HydrophobicContact CE1-CD 4.46Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.82Å |
| 42 | Y | 53.5 | Low | 54 | Low | 137 Ų | 137 | 115.4 Ų | 115.4 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 176.2 | -72.3 | -63.8 | 0 | 0 | 0 | 111.5 | E38 A39 K45 E46 | E38-Y42 HydrophobicContact CB-CD2 4.29Å; E38-Y42 HydrophobicContact CB-CE2 4.04Å; E38-Y42 WeakPolarHBondContact O-CB 3.49Å; E38-Y42 WeakPolarHBondContact O-CD2 3.33Å; E38-Y42 PolarHBondContact O-N 3.3Å; A39-Y42 PolarHBondContact O-N 3.47Å; Y42-K45 PolarHBondContact O-N 2.84Å; Y42-E46 WeakPolarHBondContact O-CB 3.42Å; Y42-E46 WeakPolarHBondContact O-CG 3.25Å; Y42-E46 PolarHBondContact O-N 3.01Å |
| 43 | M | 50.4 | Low | 55.3 | Low | 102 Ų | 102 | 111 Ų | 111 | 50% | 0.502 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 176.6 | -64.8 | -60.4 | -62.8 | 0 | 0 | 112 | A39 E40 K45 E46 E47 | A39-M43 WeakPolarHBondContact O-CB 3.29Å; A39-M43 WeakPolarHBondContact O-CG 3.21Å; A39-M43 PolarHBondContact O-N 3.39Å; E40-M43 PolarHBondContact O-N 3.2Å; M43-K45 VanDerWaalsContact C-N 3.33Å; M43-E46 PolarHBondContact O-N 3.26Å; M43-E47 WeakPolarHBondContact O-CB 3.22Å; M43-E47 PolarHBondContact O-N 2.75Å |
| 44 | I | 52.6 | Low | 57.2 | Low | 86 Ų | 86 | 105.7 Ų | 105.7 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 173.1 | -70.4 | 166.9 | 0 | 0 | 0 | 110.6 | E40 H48 | E40-I44 HydrophobicContact CG-CD1 3.78Å; E40-I44 HydrophobicContact CG-CG1 4.45Å; E40-I44 VanDerWaalsContact O-CB 3.26Å; E40-I44 WeakPolarHBondContact O-CB 3.41Å; E40-I44 WeakPolarHBondContact O-CD1 3.09Å; E40-I44 WeakPolarHBondContact O-CG1 3.24Å; E40-I44 PolarHBondContact O-N 3.4Å; I44-H48 WeakPolarHBondContact O-CB 3.41Å; I44-H48 PolarHBondContact O-N 3.44Å |
| 45 | K | 52.3 | Low | 59.3 | Low | 99 Ų | 99 | 102.8 Ų | 102.8 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 178.1 | -171.6 | -179.6 | 176 | -170.6 | 0 | 111.8 | Y41 Y42 M43 H48 E49 | Y41-K45 HydrophobicContact CE1-CD 4.46Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.82Å; Y42-K45 PolarHBondContact O-N 2.84Å; M43-K45 VanDerWaalsContact C-N 3.33Å; K45-H48 CarbonylContact O-C 3.6Å; K45-H48 PolarHBondContact O-N 2.88Å; K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 PolarHBondContact O-N 3.43Å |
| 46 | E | 49.2 | Very low | 61.5 | Low | 113 Ų | 113 | 94.7 Ų | 94.7 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 175.9 | -78.2 | -175.7 | 170.1 | 0 | 0 | 111.8 | Y42 M43 H48 E49 E50 | Y42-E46 WeakPolarHBondContact O-CB 3.42Å; Y42-E46 WeakPolarHBondContact O-CG 3.25Å; Y42-E46 PolarHBondContact O-N 3.01Å; M43-E46 PolarHBondContact O-N 3.26Å; E46-H48 VanDerWaalsContact C-N 3.33Å; E46-H48 PolarHBondContact O-N 2.74Å; E46-E49 CarbonylContact O-C 3.57Å; E46-E49 WeakPolarHBondContact O-CA 3.48Å; E46-E49 PolarHBondContact O-N 3.24Å; E46-E50 PolarHBondContact O-N 3.06Å |
| 47 | E | 48.5 | Very low | 63.8 | Low | 134 Ų | 134 | 92.6 Ų | 92.6 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.3 | -35.7 | 173.4 | -78.5 | -171.7 | 164.4 | 0 | 0 | 112.4 | M43 E49 | M43-E47 WeakPolarHBondContact O-CB 3.22Å; M43-E47 PolarHBondContact O-N 2.75Å; E47-E49 VanDerWaalsContact C-N 3.32Å |
| 48 | H | 47.9 | Very low | 65.9 | Low | 113 Ų | 113 | 87.8 Ų | 87.8 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73 | -20.4 | 170.3 | -97.2 | -82.7 | 0 | 0 | 0 | 113.7 | I44 K45 E46 | I44-H48 WeakPolarHBondContact O-CB 3.41Å; I44-H48 PolarHBondContact O-N 3.44Å; K45-H48 CarbonylContact O-C 3.6Å; K45-H48 PolarHBondContact O-N 2.88Å; E46-H48 VanDerWaalsContact C-N 3.33Å; E46-H48 PolarHBondContact O-N 2.74Å |
| 49 | E | 48.8 | Very low | 67.8 | Low | 117 Ų | 117 | 81.4 Ų | 81.4 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -85.2 | -25.7 | 172.9 | -97.7 | 172.6 | 167.8 | 0 | 0 | 112.5 | K45 E46 E47 R51 | K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 PolarHBondContact O-N 3.43Å; E46-E49 CarbonylContact O-C 3.57Å; E46-E49 WeakPolarHBondContact O-CA 3.48Å; E46-E49 PolarHBondContact O-N 3.24Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.79Å |
| 50 | E | 51.3 | Low | 69.8 | Low | 167 Ų | 167 | 79.6 Ų | 79.6 | 78% | 0.78 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.5 | -26.5 | 177.9 | -82.9 | -161.9 | 156 | 0 | 0 | 113.4 | E46 G52 | E46-E50 PolarHBondContact O-N 3.06Å; E50-G52 PolarHBondContact O-N 3.26Å |
| 51 | R | 58.5 | Low | 72 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -83.3 | 87.8 | 162.8 | -73 | -170.6 | -177.7 | -167.2 | 2.9 | 109.2 | E49 K53 S96 A97 | E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.79Å; R51-K53 PolarHBondContact O-N 3.02Å; R51-S96 PolarHBondContact NH1-OG 3.07Å; R51-A97 PolarHBondContact NH1-O 3.42Å |
| 52 | G | 79.5 | Confident | 74 | Confident | 27 Ų | 27 | 71.7 Ų | 71.7 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | trans | -45.7 | 115.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E50 R54 C100 | E50-G52 PolarHBondContact O-N 3.26Å; G52-R54 PolarHBondContact O-NH1 2.98Å; G52-C100 VanDerWaalsContact O-CB 3.25Å; G52-C100 WeakPolarHBondContact O-CB 3.38Å | ||
| 53 | K | 87.7 | Confident | 76 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.8 | -178.4 | -65 | 175.6 | -177.2 | 169.1 | 0 | 110.5 | R51 Q101 | R51-K53 PolarHBondContact O-N 3.02Å; K53-Q101 HydrophobicContact CG-CB 4.26Å |
| 54 | R | 93.4 | Very high | 78.2 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.1 | -179.2 | -65.6 | -63.6 | -164.6 | -82.5 | -4.9 | 109.5 | G52 C100 Q101 L102 D103 H125 V220 | G52-R54 PolarHBondContact O-NH1 2.98Å; R54-C100 HydrophobicContact CG-CB 4.24Å; R54-Q101 PolarHBondContact N-O 2.77Å; R54-L102 HydrophobicContact CB-CD2 3.99Å; R54-L102 WeakPolarHBondContact O-CA 3.35Å; R54-D103 PolarHBondContact O-N 2.93Å; R54-H125 WeakPolarHBondContact CD-CD2 3.44Å; R54-V220 HydrophobicContact CB-CB 4.05Å; R54-V220 HydrophobicContact CB-CG1 3.97Å; R54-V220 HydrophobicContact CB-CG2 4.3Å; R54-V220 HydrophobicContact CG-CB 3.7Å; R54-V220 HydrophobicContact CG-CG1 4.19Å; R54-V220 HydrophobicContact CG-CG2 3.9Å; R54-V220 PolarHBondContact NE-O 3.18Å; R54-V220 PolarHBondContact NH2-O 3.3Å |
| 55 | Q | 95.1 | Very high | 80.2 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.1 | -179.7 | 178.6 | 171.2 | 82.4 | 0 | 0 | 111.1 | D103 K123 H125 V126 | Q55-D103 CarbonylContact C-O 3.57Å; Q55-D103 WeakPolarHBondContact CA-O 3.43Å; Q55-K123 WeakPolarHBondContact CB-O 3.35Å; Q55-K123 PolarHBondContact OE1-O 3.32Å; Q55-K123 VanDerWaalsContact OE1-O 3.1Å; Q55-H125 PolarHBondContact N-ND1 2.87Å; Q55-H125 VanDerWaalsContact N-ND1 3.12Å; Q55-H125 WeakPolarHBondContact O-CB 3.43Å; Q55-H125 PolarHBondContact O-N 3.14Å; Q55-V126 PolarHBondContact O-N 3.24Å |
| 56 | V | 97.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 117 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | L102 D103 F104 L105 V126 V128 I216 | V56-L102 HydrophobicContact CG2-CD2 4.34Å; V56-D103 PolarHBondContact N-O 3.07Å; V56-F104 HydrophobicContact CB-CD1 3.78Å; V56-F104 HydrophobicContact CB-CE1 3.95Å; V56-F104 HydrophobicContact CB-CG 4.27Å; V56-F104 HydrophobicContact CG1-CD1 3.72Å; V56-F104 HydrophobicContact CG1-CE1 3.69Å; V56-F104 HydrophobicContact CG2-CD1 4.43Å; V56-F104 HydrophobicContact CG2-CE1 4.18Å; V56-F104 HydrophobicContact CG2-CZ 4.33Å; V56-F104 CarbonylContact O-C 3.55Å; V56-F104 WeakPolarHBondContact O-CA 3.26Å; V56-L105 PolarHBondContact O-N 3.45Å; V56-V126 WeakPolarHBondContact CA-O 3.41Å; V56-V128 HydrophobicContact CG1-CB 4.36Å; V56-V128 HydrophobicContact CG1-CG2 3.46Å; V56-V128 VanDerWaalsContact CG1-CG2 3.46Å; V56-I216 HydrophobicContact CG1-CD1 4.44Å; V56-I216 HydrophobicContact CG2-CG2 3.63Å |
| 57 | L | 98 | Very high | 84.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.9 | 178.2 | -172.6 | 68.7 | 0 | 0 | 0 | 109.5 | L59 L105 I107 Y120 L121 T124 V126 L127 V128 | L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD2-CD1 3.67Å; L57-L59 HydrophobicContact CD2-CD2 4.24Å; L57-L59 HydrophobicContact CD2-CG 3.94Å; L57-L59 HydrophobicContact CG-CD1 4.18Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 3.86Å; L57-L105 HydrophobicContact CD1-CB 4.19Å; L57-L105 HydrophobicContact CD1-CD2 3.96Å; L57-L105 HydrophobicContact CD1-CG 4.04Å; L57-I107 HydrophobicContact CD1-CG1 4.08Å; L57-Y120 HydrophobicContact CD1-CG 4.4Å; L57-L121 HydrophobicContact CD2-CD2 3.92Å; L57-L121 HydrophobicContact CD2-CG 4.47Å; L57-T124 HydrophobicContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-OG1 3.31Å; L57-T124 WeakPolarHBondContact CB-OG1 3.21Å; L57-V126 PolarHBondContact N-O 3.01Å; L57-L127 HydrophobicContact CB-CD1 4.44Å; L57-L127 HydrophobicContact CD2-CD1 4.39Å; L57-V128 PolarHBondContact O-N 3.42Å |
| 58 | V | 98.1 | Very high | 86.4 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107.6 | -178.6 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | K66 L70 F104 L105 E106 I107 V128 V130 | V58-K66 HydrophobicContact CG1-CB 4.08Å; V58-K66 HydrophobicContact CG1-CD 4.35Å; V58-K66 HydrophobicContact CG1-CG 4.13Å; V58-L70 HydrophobicContact CG2-CD2 4.14Å; V58-F104 HydrophobicContact CG2-CD1 3.95Å; V58-L105 PolarHBondContact N-O 2.85Å; V58-E106 HydrophobicContact CB-CB 4.22Å; V58-E106 WeakPolarHBondContact O-CA 3.42Å; V58-I107 PolarHBondContact O-N 2.92Å; V58-V128 WeakPolarHBondContact CA-O 3.4Å; V58-V128 HydrophobicContact CG1-CG1 4.38Å; V58-V128 HydrophobicContact CG2-CB 4.26Å; V58-V130 HydrophobicContact CG1-CG2 4.03Å |
| 59 | L | 98.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 173.4 | -178.1 | -57.8 | -177.2 | 0 | 0 | 0 | 111.6 | L57 K66 I107 W117 L127 V128 Y129 V130 L149 | L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD2-CD1 3.67Å; L57-L59 HydrophobicContact CD2-CD2 4.24Å; L57-L59 HydrophobicContact CD2-CG 3.94Å; L57-L59 HydrophobicContact CG-CD1 4.18Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 3.86Å; L59-K66 VanDerWaalsContact C-CD 3.49Å; L59-I107 HydrophobicContact CD2-CB 3.74Å; L59-I107 HydrophobicContact CD2-CG1 3.86Å; L59-W117 HydrophobicContact CB-CD2 4.42Å; L59-W117 HydrophobicContact CB-CE3 4.48Å; L59-W117 HydrophobicContact CB-CZ2 4.48Å; L59-W117 HydrophobicContact CD1-CB 3.91Å; L59-W117 HydrophobicContact CD1-CD2 4.04Å; L59-W117 HydrophobicContact CD1-CE3 4.19Å; L59-W117 HydrophobicContact CD1-CG 3.98Å; L59-W117 HydrophobicContact CD2-CB 4.41Å; L59-W117 HydrophobicContact CD2-CD2 4.07Å; L59-W117 HydrophobicContact CD2-CG 3.86Å; L59-W117 HydrophobicContact CG-CD2 4.42Å; L59-W117 HydrophobicContact CG-CG 4.48Å; L59-L127 HydrophobicContact CB-CD1 4.1Å; L59-L127 HydrophobicContact CD1-CD1 3.82Å; L59-L127 HydrophobicContact CG-CD1 3.9Å; L59-V128 PolarHBondContact N-O 2.9Å; L59-Y129 HydrophobicContact CB-CD2 4.06Å; L59-Y129 HydrophobicContact CB-CE2 4.38Å; L59-V130 PolarHBondContact O-N 2.92Å; L59-L149 HydrophobicContact CD1-CD1 3.59Å; L59-L149 HydrophobicContact CD1-CD2 4.1Å |
| 60 | G | 98.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 137.7 | 159.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K66 G109 W117 V130 | G60-K66 PolarHBondContact O-NZ 3.1Å; G60-G109 WeakPolarHBondContact O-CA 3.47Å; G60-W117 VanDerWaalsContact O-CZ2 3.29Å; G60-W117 WeakPolarHBondContact O-CZ2 3.43Å; G60-V130 WeakPolarHBondContact CA-O 3.34Å | ||
| 61 | L | 98.4 | Very high | 92 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | trans | -59 | 158.3 | -176.6 | -55.3 | -174.3 | 0 | 0 | 0 | 112.1 | A64 K66 R138 Q141 A142 E145 | L61-A64 WeakPolarHBondContact O-CB 3.43Å; L61-A64 PolarHBondContact O-N 3.32Å; L61-A64 VanDerWaalsContact O-N 3.14Å; L61-K66 PolarHBondContact O-NZ 3.07Å; L61-R138 HydrophobicContact CD1-CB 3.91Å; L61-Q141 HydrophobicContact CD1-CB 4.25Å; L61-Q141 HydrophobicContact CD1-CG 4.29Å; L61-Q141 HydrophobicContact CD2-CG 4.28Å; L61-A142 HydrophobicContact CD1-CB 3.82Å; L61-A142 HydrophobicContact CG-CB 4.07Å; L61-E145 HydrophobicContact CD2-CG 4.38Å | ||
| 62 | D | 97.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 25.9 Ų | 25.9 | 34% | 0.337 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 141.6 | 169 | 58 | -76.3 | 0 | 0 | 0 | 110.8 | A64 G109 R114 R138 | D62-A64 PolarHBondContact O-N 3.13Å; D62-G109 PolarHBondContact N-O 3.01Å; D62-G109 VanDerWaalsContact OD1-O 3.09Å; D62-R114 IonicContact OD1-NH2 2.84Å; D62-R114 PolarHBondContact OD1-NH2 3.05Å; D62-R138 PolarHBondContact O-NH1 2.89Å; D62-R138 PolarHBondContact O-NH2 2.94Å; D62-R138 IonicContact OD1-NH1 2.68Å; D62-R138 IonicContact OD2-NH1 3.81Å; D62-R138 PolarHBondContact OD2-NH1 2.99Å; D62-R138 VanDerWaalsContact OD2-NH1 3.13Å |
| 63 | G | 95.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 25.2 Ų | 25.2 | 52% | 0.515 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -2.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G65 K164 | G63-G65 PolarHBondContact O-N 2.85Å; G63-K164 VanDerWaalsContact O-CE 3.27Å; G63-K164 WeakPolarHBondContact O-CE 3.14Å; G63-K164 PolarHBondContact O-NZ 3.44Å |
| 64 | A | 96.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -63.1 | -22.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L61 D62 V130 N163 | L61-A64 WeakPolarHBondContact O-CB 3.43Å; L61-A64 PolarHBondContact O-N 3.32Å; L61-A64 VanDerWaalsContact O-N 3.14Å; D62-A64 PolarHBondContact O-N 3.13Å; A64-V130 HydrophobicContact CB-CB 4.36Å; A64-V130 HydrophobicContact CB-CG1 4.1Å; A64-V130 WeakPolarHBondContact CB-O 3.32Å; A64-N163 PolarHBondContact O-ND2 2.81Å |
| 65 | G | 94.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 103.2 | 18.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G63 S67 S68 I69 | G63-G65 PolarHBondContact O-N 2.85Å; G65-S67 PolarHBondContact O-N 2.9Å; G65-S68 PolarHBondContact O-N 3.12Å; G65-I69 WeakPolarHBondContact O-CG1 3.49Å; G65-I69 PolarHBondContact O-N 2.84Å |
| 66 | K | 95.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 23 Ų | 23 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -48.3 | -58.9 | 176.3 | -62.6 | -177.3 | -61.1 | -73.9 | 0 | 113 | V58 L59 G60 L61 S68 I69 L70 E106 I107 V130 | V58-K66 HydrophobicContact CG1-CB 4.08Å; V58-K66 HydrophobicContact CG1-CD 4.35Å; V58-K66 HydrophobicContact CG1-CG 4.13Å; L59-K66 VanDerWaalsContact C-CD 3.49Å; G60-K66 PolarHBondContact O-NZ 3.1Å; L61-K66 PolarHBondContact O-NZ 3.07Å; K66-S68 PolarHBondContact O-N 3.04Å; K66-I69 PolarHBondContact O-N 3.48Å; K66-L70 PolarHBondContact O-N 2.91Å; K66-E106 HydrophobicContact CB-CG 4.27Å; K66-E106 WeakPolarHBondContact CB-OE1 3.42Å; K66-I107 WeakPolarHBondContact CE-O 3.07Å; K66-V130 HydrophobicContact CG-CB 3.82Å; K66-V130 HydrophobicContact CG-CG1 4.48Å; K66-V130 HydrophobicContact CG-CG2 3.84Å |
| 67 | S | 93.2 | Very high | 87.3 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -33.7 | -178.4 | -27.4 | 0 | 0 | 0 | 0 | 112.2 | G65 L70 Q71 T87 E106 | G65-S67 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 2.95Å; S67-Q71 WeakPolarHBondContact O-CB 3.35Å; S67-Q71 VanDerWaalsContact O-CG 3.29Å; S67-Q71 WeakPolarHBondContact O-CG 3.37Å; S67-Q71 PolarHBondContact O-N 3.33Å; S67-T87 PolarHBondContact OG-OG1 3.42Å; S67-E106 WeakPolarHBondContact CA-OE1 3.31Å; S67-E106 WeakPolarHBondContact CA-OE2 3.39Å; S67-E106 WeakPolarHBondContact CB-OE1 3.42Å; S67-E106 WeakPolarHBondContact CB-OE2 3.47Å; S67-E106 PolarHBondContact N-OE1 2.77Å; S67-E106 VanDerWaalsContact OG-CD 3.32Å; S67-E106 PolarHBondContact OG-OE1 2.9Å; S67-E106 PolarHBondContact OG-OE2 2.86Å |
| 68 | S | 90.9 | Very high | 84.8 | Confident | 39 Ų | 39 | 33.9 Ų | 33.9 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.4 | -39.2 | 178.2 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | G65 K66 Q71 G72 C84 L198 | G65-S68 PolarHBondContact O-N 3.12Å; K66-S68 PolarHBondContact O-N 3.04Å; S68-Q71 PolarHBondContact O-N 3.39Å; S68-G72 PolarHBondContact O-N 2.91Å; S68-C84 PolarHBondContact OG-SG 2.77Å; S68-C84 VanDerWaalsContact OG-SG 3.38Å; S68-L198 WeakPolarHBondContact O-CD2 3.5Å |
| 69 | I | 89.7 | Confident | 82.5 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.1 | -68.6 | 170 | 0 | 0 | 0 | 109.9 | G65 K66 Q71 G72 L73 V130 L161 N163 | G65-I69 WeakPolarHBondContact O-CG1 3.49Å; G65-I69 PolarHBondContact O-N 2.84Å; K66-I69 PolarHBondContact O-N 3.48Å; I69-Q71 PolarHBondContact O-N 3.03Å; I69-G72 WeakPolarHBondContact O-CA 3.47Å; I69-G72 PolarHBondContact O-N 3.21Å; I69-G72 VanDerWaalsContact O-N 3.09Å; I69-L73 PolarHBondContact O-N 3.21Å; I69-V130 HydrophobicContact CD1-CG1 3.65Å; I69-V130 HydrophobicContact CD1-CG2 4.05Å; I69-L161 HydrophobicContact CD1-CD1 3.89Å; I69-L161 HydrophobicContact CG2-CD1 4.25Å; I69-N163 HydrophobicContact CD1-CB 4.3Å |
| 70 | L | 90.3 | Very high | 80.3 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.3 | -71.3 | -172.1 | 0 | 0 | 0 | 112.5 | V58 K66 S67 G72 L73 T74 M93 F104 E106 | V58-L70 HydrophobicContact CG2-CD2 4.14Å; K66-L70 PolarHBondContact O-N 2.91Å; S67-L70 PolarHBondContact O-N 2.95Å; L70-G72 VanDerWaalsContact C-N 3.26Å; L70-G72 PolarHBondContact O-N 2.95Å; L70-L73 HydrophobicContact CD2-CD1 4Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.09Å; L70-T74 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-OG1 3.05Å; L70-M93 HydrophobicContact CB-CE 3.99Å; L70-M93 HydrophobicContact CD2-CE 3.74Å; L70-M93 HydrophobicContact CG-CE 4.43Å; L70-M93 WeakPolarHBondContact O-CE 3.43Å; L70-F104 HydrophobicContact CD2-CB 3.9Å; L70-F104 HydrophobicContact CD2-CD1 3.72Å; L70-F104 HydrophobicContact CD2-CG 3.93Å; L70-E106 HydrophobicContact CD1-CB 3.53Å; L70-E106 HydrophobicContact CD1-CG 4.41Å |
| 71 | Q | 87.6 | Confident | 78.8 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -37 | 173.3 | -75.9 | 178.6 | 6.4 | 0 | 0 | 112 | S67 S68 I69 L73 T74 A75 C84 | S67-Q71 WeakPolarHBondContact O-CB 3.35Å; S67-Q71 VanDerWaalsContact O-CG 3.29Å; S67-Q71 WeakPolarHBondContact O-CG 3.37Å; S67-Q71 PolarHBondContact O-N 3.33Å; S68-Q71 PolarHBondContact O-N 3.39Å; I69-Q71 PolarHBondContact O-N 3.03Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 3.43Å; Q71-T74 PolarHBondContact O-N 3.05Å; Q71-A75 WeakPolarHBondContact O-CB 3.33Å; Q71-A75 PolarHBondContact O-N 3.22Å; Q71-C84 PolarHBondContact NE2-SG 3.01Å; Q71-C84 VanDerWaalsContact NE2-SG 3.39Å; Q71-C84 PolarHBondContact OE1-SG 3.03Å |
| 72 | G | 84.1 | Confident | 77.3 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S68 I69 L70 T74 A75 L209 | S68-G72 PolarHBondContact O-N 2.91Å; I69-G72 WeakPolarHBondContact O-CA 3.47Å; I69-G72 PolarHBondContact O-N 3.21Å; I69-G72 VanDerWaalsContact O-N 3.09Å; L70-G72 VanDerWaalsContact C-N 3.26Å; L70-G72 PolarHBondContact O-N 2.95Å; G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 2.81Å; G72-A75 PolarHBondContact O-N 2.99Å; G72-L209 WeakPolarHBondContact O-CD1 3.25Å |
| 73 | L | 82.3 | Confident | 76.3 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -32.1 | 178 | -66.3 | 166.9 | 0 | 0 | 0 | 113 | I69 L70 Q71 M93 L95 F104 L209 F212 Q213 | I69-L73 PolarHBondContact O-N 3.21Å; L70-L73 HydrophobicContact CD2-CD1 4Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.09Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 3.43Å; L73-M93 HydrophobicContact CB-CE 3.65Å; L73-M93 HydrophobicContact CD1-CE 3.98Å; L73-M93 HydrophobicContact CG-CE 4.44Å; L73-L95 HydrophobicContact CB-CD1 4.05Å; L73-F104 HydrophobicContact CD1-CE1 4.17Å; L73-F104 HydrophobicContact CD1-CZ 4.23Å; L73-L209 HydrophobicContact CD2-CB 3.89Å; L73-L209 HydrophobicContact CD2-CD2 3.56Å; L73-L209 HydrophobicContact CD2-CG 4.2Å; L73-L209 HydrophobicContact CG-CD2 3.88Å; L73-F212 HydrophobicContact CD1-CD1 4.23Å; L73-F212 HydrophobicContact CD1-CE1 3.84Å; L73-F212 HydrophobicContact CD2-CD1 3.87Å; L73-F212 HydrophobicContact CD2-CE1 4.32Å; L73-Q213 HydrophobicContact CD2-CG 3.93Å |
| 74 | T | 76.9 | Confident | 75.8 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -84.9 | -30.6 | 177 | -47 | 0 | 0 | 0 | 0 | 112.6 | L70 Q71 G72 G76 D77 | L70-T74 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-OG1 3.05Å; Q71-T74 PolarHBondContact O-N 3.05Å; G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 2.81Å; T74-G76 PolarHBondContact O-N 3.29Å; T74-D77 PolarHBondContact O-N 2.9Å |
| 75 | A | 62.6 | Low | 75.4 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -75.6 | -2.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q71 G72 D77 G78 R81 | Q71-A75 WeakPolarHBondContact O-CB 3.33Å; Q71-A75 PolarHBondContact O-N 3.22Å; G72-A75 PolarHBondContact O-N 2.99Å; A75-D77 PolarHBondContact O-N 3.45Å; A75-G78 PolarHBondContact O-N 2.94Å; A75-R81 HydrophobicContact CB-CG 4.5Å |
| 76 | G | 55.8 | Low | 75.2 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -55.5 | -12.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T74 | T74-G76 PolarHBondContact O-N 3.29Š|
| 77 | D | 48.9 | Very low | 75 | Confident | 155 Ų | 155 | 72.8 Ų | 72.8 | 83% | 0.829 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -102.3 | 23.8 | 179.7 | -145.8 | 18.5 | 0 | 0 | 0 | 114 | T74 A75 | T74-D77 PolarHBondContact O-N 2.9Å; A75-D77 PolarHBondContact O-N 3.45Å |
| 78 | G | 45.7 | Very low | 74.8 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 76% | 0.763 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 86 | 15.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | A75 | A75-G78 PolarHBondContact O-N 2.94Š|
| 79 | G | 51.4 | Low | 74.9 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 47% | 0.474 | 46% | 0.461 | S | S | . | . | trans | -75.2 | 132.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R81 | G79-R81 PolarHBondContact O-N 3.33Š| ||
| 80 | K | 52.3 | Low | 75 | Confident | 212 Ų | 212 | 88.6 Ų | 88.6 | 92% | 0.922 | 49% | 0.486 | S | S | * | . | trans | -63.4 | 124 | 172.3 | -70.9 | -174.8 | 179.3 | 179.6 | 0 | 110.3 | G82 | K80-G82 PolarHBondContact O-N 3.28Š| ||
| 81 | R | 66.4 | Low | 75.1 | Confident | 92 Ų | 92 | 91.5 Ų | 91.5 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | trans | -66.7 | 112.5 | 173.6 | -62.5 | -176.2 | -171.7 | 157.5 | 13.5 | 109.5 | A75 G79 G199 D202 | A75-R81 HydrophobicContact CB-CG 4.5Å; G79-R81 PolarHBondContact O-N 3.33Å; R81-G199 PolarHBondContact NH1-O 3.34Å; R81-D202 IonicContact CZ-OD1 3.39Å; R81-D202 IonicContact NH1-OD1 2.9Å; R81-D202 IonicContact NH2-OD1 2.88Å; R81-D202 PolarHBondContact NH2-OD1 3.17Å | ||
| 82 | G | 66.4 | Low | 75.3 | Confident | 45 Ų | 45 | 92.8 Ų | 92.8 | 46% | 0.464 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 162.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K80 C84 | K80-G82 PolarHBondContact O-N 3.28Å; G82-C84 PolarHBondContact O-N 2.93Å |
| 83 | H | 76.8 | Confident | 75.6 | Confident | 177 Ų | 177 | 93.6 Ų | 93.6 | 82% | 0.819 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 120.1 | 168.7 | -174.2 | -63.4 | 0 | 0 | 0 | 109.9 | ||
| 84 | C | 84.1 | Confident | 76 | Confident | 28 Ų | 28 | 95.5 Ų | 95.5 | 19% | 0.189 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -78 | 132.4 | 176 | -64.3 | 0 | 0 | 0 | 0 | 111 | S68 Q71 G82 | S68-C84 PolarHBondContact OG-SG 2.77Å; S68-C84 VanDerWaalsContact OG-SG 3.38Å; Q71-C84 PolarHBondContact NE2-SG 3.01Å; Q71-C84 VanDerWaalsContact NE2-SG 3.39Å; Q71-C84 PolarHBondContact OE1-SG 3.03Å; G82-C84 PolarHBondContact O-N 2.93Å |
| 85 | R | 88.3 | Confident | 76.5 | Confident | 216 Ų | 216 | 93.3 Ų | 93.3 | 82% | 0.815 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -88 | 156.2 | 169.2 | -68.4 | -177.1 | 178.6 | 170.5 | 0 | 110.1 | T87 | R85-T87 PolarHBondContact O-N 3.43Š|
| 86 | P | 91.2 | Very high | 77.5 | Confident | 117 Ų | 117 | 96.7 Ų | 96.7 | 76% | 0.76 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 126.9 | 173.7 | -25.3 | 34.6 | 0 | 0 | 0 | 112.1 | R88 | P86-R88 PolarHBondContact O-N 3.38Š|
| 87 | T | 90.8 | Very high | 78.8 | Confident | 34 Ų | 34 | 94 Ų | 94 | 21% | 0.209 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 116.9 | 177.9 | -48.2 | 0 | 0 | 0 | 0 | 110.3 | S67 R85 G89 L113 | S67-T87 PolarHBondContact OG-OG1 3.42Å; R85-T87 PolarHBondContact O-N 3.43Å; T87-G89 VanDerWaalsContact C-N 3.35Å; T87-L113 WeakPolarHBondContact O-CD1 3.47Å |
| 88 | R | 88.8 | Confident | 80.2 | Confident | 241 Ų | 241 | 92.4 Ų | 92.4 | 91% | 0.909 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -92.8 | 16.1 | -179.7 | -68.9 | -174.3 | 172.1 | 179.6 | -3.5 | 114.2 | P86 | P86-R88 PolarHBondContact O-N 3.38Š|
| 89 | G | 91.8 | Very high | 81.7 | Confident | 26 Ų | 26 | 92.9 Ų | 92.9 | 27% | 0.268 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -172.3 | -114.8 | -176 | 0 | 0 | 0 | 0 | 0 | 109.4 | T87 G108 | T87-G89 VanDerWaalsContact C-N 3.35Å; G89-G108 PolarHBondContact O-N 3.36Å |
| 90 | F | 93.1 | Very high | 83.4 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 58% | 0.575 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 164.1 | 175 | 64.4 | -88.8 | 0 | 0 | 0 | 111.7 | L105 E106 I107 | F90-L105 HydrophobicContact CB-CD1 4.15Å; F90-L105 HydrophobicContact CD2-CD1 4.06Å; F90-L105 HydrophobicContact CG-CD1 4.4Å; F90-E106 CarbonylContact C-O 3.58Å; F90-E106 WeakPolarHBondContact CA-O 3.31Å; F90-E106 WeakPolarHBondContact CB-O 3.09Å; F90-I107 HydrophobicContact CB-CD1 3.59Å |
| 91 | N | 91.5 | Very high | 85.2 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 34% | 0.342 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.2 | 172.4 | 177.6 | 28.7 | 0 | 0 | 0 | 108.2 | E106 | N91-E106 HydrophobicContact CB-CB 4.14Å; N91-E106 HydrophobicContact CB-CG 4.38Å; N91-E106 WeakPolarHBondContact CB-OE2 3.11Å; N91-E106 PolarHBondContact N-O 2.91Å; N91-E106 PolarHBondContact ND2-OE2 2.87Å; N91-E106 VanDerWaalsContact ND2-OE2 3.07Å; N91-E106 PolarHBondContact O-N 3.29Å |
| 92 | F | 91.9 | Very high | 86.4 | Confident | 106 Ų | 106 | 78.4 Ų | 78.4 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.1 | -176.8 | -179.4 | -94.4 | 0 | 0 | 0 | 109.8 | D103 F104 | F92-D103 HydrophobicContact CE2-CB 3.78Å; F92-D103 HydrophobicContact CZ-CB 3.87Å; F92-F104 WeakPolarHBondContact CA-O 3.31Å |
| 93 | M | 90.3 | Very high | 87.7 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134.4 | 178 | 172.1 | -98.9 | -95.7 | 0 | 0 | 109.3 | L70 L73 L95 F104 | L70-M93 HydrophobicContact CB-CE 3.99Å; L70-M93 HydrophobicContact CD2-CE 3.74Å; L70-M93 HydrophobicContact CG-CE 4.43Å; L70-M93 WeakPolarHBondContact O-CE 3.43Å; L73-M93 HydrophobicContact CB-CE 3.65Å; L73-M93 HydrophobicContact CD1-CE 3.98Å; L73-M93 HydrophobicContact CG-CE 4.44Å; M93-L95 HydrophobicContact CE-CD1 4.16Å; M93-L95 HydrophobicContact CE-CG 4.41Å; M93-L95 HydrophobicContact SD-CD1 3.8Å; M93-L95 HydrophobicContact SD-CD2 3.83Å; M93-L95 HydrophobicContact SD-CG 3.48Å; M93-L95 WeakPolarHBondContact SD-CG 3.26Å; M93-F104 HydrophobicContact CB-CB 4.47Å; M93-F104 HydrophobicContact CE-CD2 4.39Å; M93-F104 PolarHBondContact N-O 2.81Å; M93-F104 WeakPolarHBondContact O-CA 3.44Å; M93-F104 WeakPolarHBondContact O-CB 3.24Å; M93-F104 PolarHBondContact O-N 2.97Å; M93-F104 HydrophobicContact SD-CB 4.21Å; M93-F104 HydrophobicContact SD-CD2 3.63Å; M93-F104 HydrophobicContact SD-CE2 4.35Å; M93-F104 HydrophobicContact SD-CG 4.13Å |
| 94 | S | 90.1 | Very high | 88.6 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.5 | 179.8 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | Q101 L102 D103 | S94-Q101 WeakPolarHBondContact OG-CG 3.37Å; S94-Q101 PolarHBondContact OG-NE2 2.8Å; S94-L102 CarbonylContact C-O 3.6Å; S94-L102 WeakPolarHBondContact CA-O 3.4Å; S94-D103 WeakPolarHBondContact CB-OD1 3.45Å; S94-D103 PolarHBondContact OG-OD1 3.07Å |
| 95 | L | 87.6 | Confident | 89.2 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128 | 173.1 | -61.1 | 175.6 | 0 | 0 | 0 | 109.7 | L73 M93 A97 L102 F104 | L73-L95 HydrophobicContact CB-CD1 4.05Å; M93-L95 HydrophobicContact CE-CD1 4.16Å; M93-L95 HydrophobicContact CE-CG 4.41Å; M93-L95 HydrophobicContact SD-CD1 3.8Å; M93-L95 HydrophobicContact SD-CD2 3.83Å; M93-L95 HydrophobicContact SD-CG 3.48Å; M93-L95 WeakPolarHBondContact SD-CG 3.26Å; L95-A97 PolarHBondContact O-N 2.99Å; L95-L102 PolarHBondContact N-O 3.17Å; L95-L102 PolarHBondContact O-N 2.81Å; L95-F104 HydrophobicContact CB-CE2 4.48Å; L95-F104 HydrophobicContact CD1-CD2 4.31Å; L95-F104 HydrophobicContact CD1-CE2 3.72Å; L95-F104 HydrophobicContact CD1-CZ 4.43Å; L95-F104 HydrophobicContact CG-CD2 4.46Å; L95-F104 HydrophobicContact CG-CE2 4.19Å |
| 96 | S | 85.4 | Confident | 89.6 | Confident | 93 Ų | 93 | 58 Ų | 58 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 114.1 | 173.3 | -169.4 | 0 | 0 | 0 | 0 | 108.9 | R51 | R51-S96 PolarHBondContact NH1-OG 3.07Å |
| 97 | A | 81.4 | Confident | 89.9 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -100.6 | 161.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | R51 L95 A99 C100 L217 | R51-A97 PolarHBondContact NH1-O 3.42Å; L95-A97 PolarHBondContact O-N 2.99Å; A97-A99 PolarHBondContact O-N 3.16Å; A97-C100 CarbonylContact C-O 3.6Å; A97-C100 WeakPolarHBondContact CA-O 3.35Å; A97-C100 WeakPolarHBondContact CB-O 3.33Å; A97-C100 PolarHBondContact N-O 3.36Å; A97-C100 VanDerWaalsContact O-O 3.1Å; A97-L217 HydrophobicContact CB-CD1 3.94Å; A97-L217 HydrophobicContact CB-CD2 3.73Å; A97-L217 HydrophobicContact CB-CG 4.43Å | ||
| 98 | P | 78.8 | Confident | 90.1 | Very high | 123 Ų | 123 | 51 Ų | 51 | 80% | 0.799 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -56.9 | -35.2 | 180 | -27.4 | 35.7 | 0 | 0 | 0 | 113.9 | ||
| 99 | A | 78.1 | Confident | 90.5 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 69% | 0.694 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -94.3 | -30.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A97 | A97-A99 PolarHBondContact O-N 3.16Š|
| 100 | C | 86.4 | Confident | 90.7 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | trans | -159.3 | 169.2 | -174.6 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | G52 R54 A97 L217 | G52-C100 VanDerWaalsContact O-CB 3.25Å; G52-C100 WeakPolarHBondContact O-CB 3.38Å; R54-C100 HydrophobicContact CG-CB 4.24Å; A97-C100 CarbonylContact C-O 3.6Å; A97-C100 WeakPolarHBondContact CA-O 3.35Å; A97-C100 WeakPolarHBondContact CB-O 3.33Å; A97-C100 PolarHBondContact N-O 3.36Å; A97-C100 VanDerWaalsContact O-O 3.1Å; C100-L217 WeakPolarHBondContact SG-CD2 3.41Å | ||
| 101 | Q | 89.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.3 | 167.6 | -177.2 | 179.7 | -28.7 | 0 | 0 | 109.7 | K53 R54 S94 D103 | K53-Q101 HydrophobicContact CG-CB 4.26Å; R54-Q101 PolarHBondContact N-O 2.77Å; S94-Q101 WeakPolarHBondContact OG-CG 3.37Å; S94-Q101 PolarHBondContact OG-NE2 2.8Å; Q101-D103 PolarHBondContact NE2-OD1 2.83Å |
| 102 | L | 92.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.3 | 175.6 | -65.7 | 179.6 | 0 | 0 | 0 | 110.1 | R54 V56 S94 L95 F104 I216 L217 V220 | R54-L102 HydrophobicContact CB-CD2 3.99Å; R54-L102 WeakPolarHBondContact O-CA 3.35Å; V56-L102 HydrophobicContact CG2-CD2 4.34Å; S94-L102 CarbonylContact C-O 3.6Å; S94-L102 WeakPolarHBondContact CA-O 3.4Å; L95-L102 PolarHBondContact N-O 3.17Å; L95-L102 PolarHBondContact O-N 2.81Å; L102-F104 HydrophobicContact CB-CD2 4.36Å; L102-F104 HydrophobicContact CB-CE2 3.73Å; L102-F104 HydrophobicContact CB-CZ 4.45Å; L102-F104 HydrophobicContact CD1-CE2 4.26Å; L102-F104 HydrophobicContact CD1-CZ 4.33Å; L102-I216 HydrophobicContact CD1-CG2 4.04Å; L102-I216 HydrophobicContact CD2-CG2 3.94Å; L102-L217 HydrophobicContact CD1-CD2 3.97Å; L102-L217 HydrophobicContact CD1-CG 4.22Å; L102-L217 HydrophobicContact CD2-CD2 4.08Å; L102-L217 HydrophobicContact CG-CD2 4.12Å; L102-V220 HydrophobicContact CD2-CG2 4.4Å |
| 103 | D | 94.3 | Very high | 91 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 100.3 | 179.8 | -76.2 | -14 | 0 | 0 | 0 | 109.8 | R54 Q55 V56 F92 S94 Q101 | R54-D103 PolarHBondContact O-N 2.93Å; Q55-D103 CarbonylContact C-O 3.57Å; Q55-D103 WeakPolarHBondContact CA-O 3.43Å; V56-D103 PolarHBondContact N-O 3.07Å; F92-D103 HydrophobicContact CE2-CB 3.78Å; F92-D103 HydrophobicContact CZ-CB 3.87Å; S94-D103 WeakPolarHBondContact CB-OD1 3.45Å; S94-D103 PolarHBondContact OG-OD1 3.07Å; Q101-D103 PolarHBondContact NE2-OD1 2.83Å |
| 104 | F | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.5 | 176.2 | -66.4 | -96.4 | 0 | 0 | 0 | 110.8 | V56 V58 L70 L73 F92 M93 L95 L102 F212 | V56-F104 HydrophobicContact CB-CD1 3.78Å; V56-F104 HydrophobicContact CB-CE1 3.95Å; V56-F104 HydrophobicContact CB-CG 4.27Å; V56-F104 HydrophobicContact CG1-CD1 3.72Å; V56-F104 HydrophobicContact CG1-CE1 3.69Å; V56-F104 HydrophobicContact CG2-CD1 4.43Å; V56-F104 HydrophobicContact CG2-CE1 4.18Å; V56-F104 HydrophobicContact CG2-CZ 4.33Å; V56-F104 CarbonylContact O-C 3.55Å; V56-F104 WeakPolarHBondContact O-CA 3.26Å; V58-F104 HydrophobicContact CG2-CD1 3.95Å; L70-F104 HydrophobicContact CD2-CB 3.9Å; L70-F104 HydrophobicContact CD2-CD1 3.72Å; L70-F104 HydrophobicContact CD2-CG 3.93Å; L73-F104 HydrophobicContact CD1-CE1 4.17Å; L73-F104 HydrophobicContact CD1-CZ 4.23Å; F92-F104 WeakPolarHBondContact CA-O 3.31Å; M93-F104 HydrophobicContact CB-CB 4.47Å; M93-F104 HydrophobicContact CE-CD2 4.39Å; M93-F104 PolarHBondContact N-O 2.81Å; M93-F104 WeakPolarHBondContact O-CA 3.44Å; M93-F104 WeakPolarHBondContact O-CB 3.24Å; M93-F104 PolarHBondContact O-N 2.97Å; M93-F104 HydrophobicContact SD-CB 4.21Å; M93-F104 HydrophobicContact SD-CD2 3.63Å; M93-F104 HydrophobicContact SD-CE2 4.35Å; M93-F104 HydrophobicContact SD-CG 4.13Å; L95-F104 HydrophobicContact CB-CE2 4.48Å; L95-F104 HydrophobicContact CD1-CD2 4.31Å; L95-F104 HydrophobicContact CD1-CE2 3.72Å; L95-F104 HydrophobicContact CD1-CZ 4.43Å; L95-F104 HydrophobicContact CG-CD2 4.46Å; L95-F104 HydrophobicContact CG-CE2 4.19Å; L102-F104 HydrophobicContact CB-CD2 4.36Å; L102-F104 HydrophobicContact CB-CE2 3.73Å; L102-F104 HydrophobicContact CB-CZ 4.45Å; L102-F104 HydrophobicContact CD1-CE2 4.26Å; L102-F104 HydrophobicContact CD1-CZ 4.33Å; F104-F212 AromaticContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CZ 4.35Å; F104-F212 HydrophobicContact CZ-CE1 4.37Å |
| 105 | L | 96.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 105.5 | 172.5 | -179.8 | 62.2 | 0 | 0 | 0 | 109.3 | V56 L57 V58 F90 I107 Y120 | V56-L105 PolarHBondContact O-N 3.45Å; L57-L105 HydrophobicContact CD1-CB 4.19Å; L57-L105 HydrophobicContact CD1-CD2 3.96Å; L57-L105 HydrophobicContact CD1-CG 4.04Å; V58-L105 PolarHBondContact N-O 2.85Å; F90-L105 HydrophobicContact CB-CD1 4.15Å; F90-L105 HydrophobicContact CD2-CD1 4.06Å; F90-L105 HydrophobicContact CG-CD1 4.4Å; L105-I107 HydrophobicContact CD1-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 4.23Å; L105-I107 HydrophobicContact CG-CD1 3.9Å; L105-Y120 HydrophobicContact CD2-CD1 3.54Å; L105-Y120 HydrophobicContact CD2-CE1 4.13Å; L105-Y120 HydrophobicContact CD2-CG 4.19Å |
| 106 | E | 96.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131.5 | 171.6 | 162.6 | -176.1 | -152.1 | 0 | 0 | 110.1 | V58 K66 S67 L70 F90 N91 | V58-E106 HydrophobicContact CB-CB 4.22Å; V58-E106 WeakPolarHBondContact O-CA 3.42Å; K66-E106 HydrophobicContact CB-CG 4.27Å; K66-E106 WeakPolarHBondContact CB-OE1 3.42Å; S67-E106 WeakPolarHBondContact CA-OE1 3.31Å; S67-E106 WeakPolarHBondContact CA-OE2 3.39Å; S67-E106 WeakPolarHBondContact CB-OE1 3.42Å; S67-E106 WeakPolarHBondContact CB-OE2 3.47Å; S67-E106 PolarHBondContact N-OE1 2.77Å; S67-E106 VanDerWaalsContact OG-CD 3.32Å; S67-E106 PolarHBondContact OG-OE1 2.9Å; S67-E106 PolarHBondContact OG-OE2 2.86Å; L70-E106 HydrophobicContact CD1-CB 3.53Å; L70-E106 HydrophobicContact CD1-CG 4.41Å; F90-E106 CarbonylContact C-O 3.58Å; F90-E106 WeakPolarHBondContact CA-O 3.31Å; F90-E106 WeakPolarHBondContact CB-O 3.09Å; N91-E106 HydrophobicContact CB-CB 4.14Å; N91-E106 HydrophobicContact CB-CG 4.38Å; N91-E106 WeakPolarHBondContact CB-OE2 3.11Å; N91-E106 PolarHBondContact N-O 2.91Å; N91-E106 PolarHBondContact ND2-OE2 2.87Å; N91-E106 VanDerWaalsContact ND2-OE2 3.07Å; N91-E106 PolarHBondContact O-N 3.29Å |
| 107 | I | 96.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.9 | 170 | -48.5 | -60 | 0 | 0 | 0 | 109.5 | L57 V58 L59 K66 F90 L105 Y120 | L57-I107 HydrophobicContact CD1-CG1 4.08Å; V58-I107 PolarHBondContact O-N 2.92Å; L59-I107 HydrophobicContact CD2-CB 3.74Å; L59-I107 HydrophobicContact CD2-CG1 3.86Å; K66-I107 WeakPolarHBondContact CE-O 3.07Å; F90-I107 HydrophobicContact CB-CD1 3.59Å; L105-I107 HydrophobicContact CD1-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 4.23Å; L105-I107 HydrophobicContact CG-CD1 3.9Å; I107-Y120 HydrophobicContact CD1-CD1 4.19Å; I107-Y120 HydrophobicContact CD1-CD2 3.77Å; I107-Y120 HydrophobicContact CD1-CE1 4.08Å; I107-Y120 HydrophobicContact CD1-CE2 3.65Å; I107-Y120 HydrophobicContact CD1-CG 4.04Å; I107-Y120 HydrophobicContact CG1-CD2 3.83Å; I107-Y120 HydrophobicContact CG1-CE2 4.08Å; I107-Y120 HydrophobicContact CG1-CG 4.25Å; I107-Y120 HydrophobicContact CG2-CE2 4.48Å |
| 108 | G | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -56.6 | 145.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G89 L113 W117 | G89-G108 PolarHBondContact O-N 3.36Å; G108-L113 WeakPolarHBondContact O-CB 3.46Å; G108-W117 PolarHBondContact O-NE1 3.25Å | ||
| 109 | G | 96.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -105.8 | 8.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G60 D62 R114 | G60-G109 WeakPolarHBondContact O-CA 3.47Å; D62-G109 PolarHBondContact N-O 3.01Å; D62-G109 VanDerWaalsContact OD1-O 3.09Å; G109-R114 PolarHBondContact O-NE 2.9Å; G109-R114 PolarHBondContact O-NH2 3.47Å; G109-R114 VanDerWaalsContact O-NH2 3.1Å | ||
| 110 | G | 95.7 | Very high | 94.1 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -67.3 | 153.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | D112 L113 R114 | G110-D112 VanDerWaalsContact C-N 3.3Å; G110-D112 PolarHBondContact O-N 3.32Å; G110-L113 PolarHBondContact O-N 3.02Å; G110-R114 WeakPolarHBondContact O-CG 3.32Å; G110-R114 PolarHBondContact O-N 3.49Å |
| 111 | E | 94.3 | Very high | 94.3 | Very high | 145 Ų | 145 | 42.5 Ų | 42.5 | 68% | 0.678 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -50.1 | -47.5 | -174 | -170.6 | 167.6 | -175.2 | 0 | 0 | 113 | L113 R114 | E111-L113 PolarHBondContact O-N 3.41Å; E111-L113 VanDerWaalsContact O-N 3.11Å; E111-R114 PolarHBondContact O-N 3.16Å |
| 112 | D | 93.5 | Very high | 94.2 | Very high | 140 Ų | 140 | 52 Ų | 52 | 75% | 0.749 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.4 | -24.7 | 178.8 | -56.7 | -26.2 | 0 | 0 | 0 | 114.2 | G110 T115 Y116 | G110-D112 VanDerWaalsContact C-N 3.3Å; G110-D112 PolarHBondContact O-N 3.32Å; D112-T115 PolarHBondContact O-OG1 2.84Å; D112-T115 VanDerWaalsContact O-OG1 3.09Å; D112-Y116 WeakPolarHBondContact O-CE2 3.35Å |
| 113 | L | 94.6 | Very high | 93.8 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -94.8 | -18.1 | -176.8 | -64.3 | 176.3 | 0 | 0 | 0 | 113.2 | T87 G108 G110 E111 T115 Y116 | T87-L113 WeakPolarHBondContact O-CD1 3.47Å; G108-L113 WeakPolarHBondContact O-CB 3.46Å; G110-L113 PolarHBondContact O-N 3.02Å; E111-L113 PolarHBondContact O-N 3.41Å; E111-L113 VanDerWaalsContact O-N 3.11Å; L113-T115 PolarHBondContact O-N 2.86Å; L113-Y116 HydrophobicContact CD2-CD2 4.48Å; L113-Y116 PolarHBondContact O-N 3.26Å |
| 114 | R | 95.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.045 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.2 | -23.7 | -176.8 | -65.4 | 173.8 | -160.3 | 162.2 | 4.1 | 113.1 | D62 G109 G110 E111 Y116 W117 Q141 R148 | D62-R114 IonicContact OD1-NH2 2.84Å; D62-R114 PolarHBondContact OD1-NH2 3.05Å; G109-R114 PolarHBondContact O-NE 2.9Å; G109-R114 PolarHBondContact O-NH2 3.47Å; G109-R114 VanDerWaalsContact O-NH2 3.1Å; G110-R114 WeakPolarHBondContact O-CG 3.32Å; G110-R114 PolarHBondContact O-N 3.49Å; E111-R114 PolarHBondContact O-N 3.16Å; R114-Y116 PolarHBondContact O-N 2.84Å; R114-W117 HydrophobicContact CB-CD2 4.2Å; R114-W117 HydrophobicContact CB-CE3 4.43Å; R114-W117 HydrophobicContact CG-CD2 4.23Å; R114-W117 HydrophobicContact CG-CE3 4.43Å; R114-W117 HydrophobicContact CG-CH2 3.96Å; R114-W117 HydrophobicContact CG-CZ2 3.71Å; R114-W117 HydrophobicContact CG-CZ3 4.32Å; R114-W117 WeakPolarHBondContact O-CB 3.4Å; R114-W117 PolarHBondContact O-N 2.96Å; R114-Q141 VanDerWaalsContact NH1-CD 3.3Å; R114-R148 PolarHBondContact O-NH2 2.8Å |
| 115 | T | 93.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 63 Ų | 63 | 55% | 0.546 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.3 | 173.5 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | D112 L113 | D112-T115 PolarHBondContact O-OG1 2.84Å; D112-T115 VanDerWaalsContact O-OG1 3.09Å; L113-T115 PolarHBondContact O-N 2.86Å |
| 116 | Y | 92.4 | Very high | 93.9 | Very high | 114 Ų | 114 | 62.4 Ų | 62.4 | 45% | 0.447 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -13.8 | -179.2 | -56.6 | -77.5 | 0 | 0 | 0 | 114.2 | D112 L113 R114 T118 E119 Y120 | D112-Y116 WeakPolarHBondContact O-CE2 3.35Å; L113-Y116 HydrophobicContact CD2-CD2 4.48Å; L113-Y116 PolarHBondContact O-N 3.26Å; R114-Y116 PolarHBondContact O-N 2.84Å; Y116-T118 PolarHBondContact O-N 3.21Å; Y116-E119 WeakPolarHBondContact O-CB 3.36Å; Y116-E119 PolarHBondContact O-N 3.24Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.34Å |
| 117 | W | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.6 | -35.6 | -175.1 | -73.3 | 1.5 | 0 | 0 | 0 | 113.5 | L59 G60 G108 R114 E119 Y120 Y129 E145 L149 | L59-W117 HydrophobicContact CB-CD2 4.42Å; L59-W117 HydrophobicContact CB-CE3 4.48Å; L59-W117 HydrophobicContact CB-CZ2 4.48Å; L59-W117 HydrophobicContact CD1-CB 3.91Å; L59-W117 HydrophobicContact CD1-CD2 4.04Å; L59-W117 HydrophobicContact CD1-CE3 4.19Å; L59-W117 HydrophobicContact CD1-CG 3.98Å; L59-W117 HydrophobicContact CD2-CB 4.41Å; L59-W117 HydrophobicContact CD2-CD2 4.07Å; L59-W117 HydrophobicContact CD2-CG 3.86Å; L59-W117 HydrophobicContact CG-CD2 4.42Å; L59-W117 HydrophobicContact CG-CG 4.48Å; G60-W117 VanDerWaalsContact O-CZ2 3.29Å; G60-W117 WeakPolarHBondContact O-CZ2 3.43Å; G108-W117 PolarHBondContact O-NE1 3.25Å; R114-W117 HydrophobicContact CB-CD2 4.2Å; R114-W117 HydrophobicContact CB-CE3 4.43Å; R114-W117 HydrophobicContact CG-CD2 4.23Å; R114-W117 HydrophobicContact CG-CE3 4.43Å; R114-W117 HydrophobicContact CG-CH2 3.96Å; R114-W117 HydrophobicContact CG-CZ2 3.71Å; R114-W117 HydrophobicContact CG-CZ3 4.32Å; R114-W117 WeakPolarHBondContact O-CB 3.4Å; R114-W117 PolarHBondContact O-N 2.96Å; W117-E119 VanDerWaalsContact C-N 3.29Å; W117-E119 PolarHBondContact O-N 2.97Å; W117-Y120 PolarHBondContact O-N 2.87Å; W117-Y129 HydrophobicContact CH2-CE2 4.38Å; W117-Y129 HydrophobicContact CZ3-CE2 4.04Å; W117-E145 HydrophobicContact CZ3-CB 3.85Å; W117-E145 HydrophobicContact CZ3-CG 4.21Å; W117-L149 HydrophobicContact CB-CD2 3.92Å; W117-L149 HydrophobicContact CE3-CD1 3.84Å; W117-L149 HydrophobicContact CE3-CD2 4.37Å; W117-L149 HydrophobicContact CE3-CG 4.43Å; W117-L149 HydrophobicContact CZ3-CD1 4.23Å |
| 118 | T | 94.1 | Very high | 94 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.7 | -25.6 | -177.7 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | Y116 Y120 L121 L149 L152 | Y116-T118 PolarHBondContact O-N 3.21Å; T118-Y120 PolarHBondContact O-N 3.04Å; T118-L121 PolarHBondContact O-N 3.36Å; T118-L149 HydrophobicContact CG2-CD2 4.19Å; T118-L152 HydrophobicContact CG2-CD1 3.23Å |
| 119 | E | 92.3 | Very high | 94.1 | Very high | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.3 | -28.8 | 178.9 | -58.3 | -179.3 | 178.2 | 0 | 0 | 111.5 | Y116 W117 | Y116-E119 WeakPolarHBondContact O-CB 3.36Å; Y116-E119 PolarHBondContact O-N 3.24Å; W117-E119 VanDerWaalsContact C-N 3.29Å; W117-E119 PolarHBondContact O-N 2.97Å |
| 120 | Y | 93.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 29% | 0.286 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -87.1 | -13.2 | -178.5 | -60.7 | -76.7 | 0 | 0 | 0 | 113.9 | L57 L105 I107 Y116 W117 T118 R122 T124 | L57-Y120 HydrophobicContact CD1-CG 4.4Å; L105-Y120 HydrophobicContact CD2-CD1 3.54Å; L105-Y120 HydrophobicContact CD2-CE1 4.13Å; L105-Y120 HydrophobicContact CD2-CG 4.19Å; I107-Y120 HydrophobicContact CD1-CD1 4.19Å; I107-Y120 HydrophobicContact CD1-CD2 3.77Å; I107-Y120 HydrophobicContact CD1-CE1 4.08Å; I107-Y120 HydrophobicContact CD1-CE2 3.65Å; I107-Y120 HydrophobicContact CD1-CG 4.04Å; I107-Y120 HydrophobicContact CG1-CD2 3.83Å; I107-Y120 HydrophobicContact CG1-CE2 4.08Å; I107-Y120 HydrophobicContact CG1-CG 4.25Å; I107-Y120 HydrophobicContact CG2-CE2 4.48Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.34Å; W117-Y120 PolarHBondContact O-N 2.87Å; T118-Y120 PolarHBondContact O-N 3.04Å; Y120-R122 PolarHBondContact O-N 3.47Å; Y120-T124 PolarHBondContact O-OG1 3.37Å |
| 121 | L | 91.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -63.6 | -36.4 | -178.3 | -74.5 | 175.6 | 0 | 0 | 0 | 113.1 | L57 T118 K123 T124 L149 L152 L156 | L57-L121 HydrophobicContact CD2-CD2 3.92Å; L57-L121 HydrophobicContact CD2-CG 4.47Å; T118-L121 PolarHBondContact O-N 3.36Å; L121-K123 PolarHBondContact O-N 3.06Å; L121-T124 VanDerWaalsContact O-CB 3.25Å; L121-T124 WeakPolarHBondContact O-CB 3.41Å; L121-T124 PolarHBondContact O-N 3.22Å; L121-T124 PolarHBondContact O-OG1 2.97Å; L121-L149 HydrophobicContact CD1-CB 4.4Å; L121-L149 HydrophobicContact CD1-CD2 3.89Å; L121-L149 HydrophobicContact CG-CD2 4.41Å; L121-L152 HydrophobicContact CD1-CB 4.15Å; L121-L152 HydrophobicContact CD1-CD1 3.97Å; L121-L156 HydrophobicContact CD2-CD2 3.7Å |
| 122 | R | 86.1 | Confident | 94.5 | Very high | 235 Ų | 235 | 54.8 Ų | 54.8 | 89% | 0.887 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.2 | -170.9 | -70 | -174.8 | 177.8 | 177.9 | 0.4 | 115.4 | Y120 | Y120-R122 PolarHBondContact O-N 3.47Š|
| 123 | K | 85.9 | Confident | 94.7 | Very high | 165 Ų | 165 | 48.1 Ų | 48.1 | 72% | 0.717 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -106.3 | 2.8 | -180 | -66.1 | -176.2 | 179.4 | -178.1 | 0 | 112.5 | Q55 L121 H125 | Q55-K123 WeakPolarHBondContact CB-O 3.35Å; Q55-K123 PolarHBondContact OE1-O 3.32Å; Q55-K123 VanDerWaalsContact OE1-O 3.1Å; L121-K123 PolarHBondContact O-N 3.06Å; K123-H125 PolarHBondContact O-ND1 2.77Å |
| 124 | T | 94.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | trans | -82.6 | 130.6 | -175.1 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | L57 Y120 L121 V126 L156 | L57-T124 HydrophobicContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-OG1 3.31Å; L57-T124 WeakPolarHBondContact CB-OG1 3.21Å; Y120-T124 PolarHBondContact O-OG1 3.37Å; L121-T124 VanDerWaalsContact O-CB 3.25Å; L121-T124 WeakPolarHBondContact O-CB 3.41Å; L121-T124 PolarHBondContact O-N 3.22Å; L121-T124 PolarHBondContact O-OG1 2.97Å; T124-V126 VanDerWaalsContact CG2-C 3.4Å; T124-V126 WeakPolarHBondContact CG2-O 3.43Å; T124-L156 HydrophobicContact CG2-CD1 4.01Å; T124-L156 HydrophobicContact CG2-CD2 4.44Å; T124-L156 WeakPolarHBondContact O-CD1 3.18Å | ||
| 125 | H | 95.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 36% | 0.356 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -92.2 | -34.2 | 173.5 | -60.2 | 68.8 | 0 | 0 | 0 | 111.1 | R54 Q55 K123 P157 V220 | R54-H125 WeakPolarHBondContact CD-CD2 3.44Å; Q55-H125 PolarHBondContact N-ND1 2.87Å; Q55-H125 VanDerWaalsContact N-ND1 3.12Å; Q55-H125 WeakPolarHBondContact O-CB 3.43Å; Q55-H125 PolarHBondContact O-N 3.14Å; K123-H125 PolarHBondContact O-ND1 2.77Å; H125-P157 WeakPolarHBondContact O-CD 3.43Å; H125-V220 HydrophobicContact CB-CG1 3.95Å |
| 126 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 132.9 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | Q55 V56 L57 T124 P157 V159 I216 L219 V220 | Q55-V126 PolarHBondContact O-N 3.24Å; V56-V126 WeakPolarHBondContact CA-O 3.41Å; L57-V126 PolarHBondContact N-O 3.01Å; T124-V126 VanDerWaalsContact CG2-C 3.4Å; T124-V126 WeakPolarHBondContact CG2-O 3.43Å; V126-P157 HydrophobicContact CG2-CB 4.44Å; V126-V159 HydrophobicContact CG1-CG2 4.25Å; V126-I216 HydrophobicContact CB-CD1 4.43Å; V126-I216 HydrophobicContact CG1-CD1 3.68Å; V126-L219 HydrophobicContact CG1-CD1 3.95Å; V126-L219 HydrophobicContact CG2-CB 3.55Å; V126-L219 HydrophobicContact CG2-CD1 4.47Å; V126-V220 HydrophobicContact CG2-CG1 3.49Å; V126-V220 VanDerWaalsContact CG2-CG1 3.49Å |
| 127 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122 | 169.9 | 173.9 | 61.4 | 0 | 0 | 0 | 110.1 | L57 L59 L149 L150 L156 P157 V158 V159 | L57-L127 HydrophobicContact CB-CD1 4.44Å; L57-L127 HydrophobicContact CD2-CD1 4.39Å; L59-L127 HydrophobicContact CB-CD1 4.1Å; L59-L127 HydrophobicContact CD1-CD1 3.82Å; L59-L127 HydrophobicContact CG-CD1 3.9Å; L127-L149 HydrophobicContact CD2-CD1 4.4Å; L127-L150 HydrophobicContact CD2-CD2 4.19Å; L127-L156 HydrophobicContact CB-CD2 3.8Å; L127-L156 HydrophobicContact CB-CG 4.21Å; L127-P157 PolarHBondContact N-O 3.42Å; L127-V158 HydrophobicContact CB-CG2 4.11Å; L127-V158 HydrophobicContact CD2-CG1 4.35Å; L127-V158 HydrophobicContact CD2-CG2 4.22Å; L127-V158 HydrophobicContact CG-CG1 4.38Å; L127-V158 CarbonylContact O-C 3.54Å; L127-V158 VanDerWaalsContact O-CA 3.31Å; L127-V158 WeakPolarHBondContact O-CA 3.33Å; L127-V159 PolarHBondContact O-N 2.84Å |
| 128 | V | 98.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114 | 167 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | V56 L57 V58 L59 V130 V159 L161 F212 I216 | V56-V128 HydrophobicContact CG1-CB 4.36Å; V56-V128 HydrophobicContact CG1-CG2 3.46Å; V56-V128 VanDerWaalsContact CG1-CG2 3.46Å; L57-V128 PolarHBondContact O-N 3.42Å; V58-V128 WeakPolarHBondContact CA-O 3.4Å; V58-V128 HydrophobicContact CG1-CG1 4.38Å; V58-V128 HydrophobicContact CG2-CB 4.26Å; L59-V128 PolarHBondContact N-O 2.9Å; V128-V130 HydrophobicContact CG1-CG2 4.25Å; V128-V159 CarbonylContact C-O 3.43Å; V128-V159 WeakPolarHBondContact CA-O 3.37Å; V128-V159 HydrophobicContact CG2-CB 4.45Å; V128-L161 HydrophobicContact CG1-CD1 3.7Å; V128-L161 HydrophobicContact CG1-CG 4.06Å; V128-F212 HydrophobicContact CG1-CE2 4.11Å; V128-F212 HydrophobicContact CG1-CZ 3.96Å; V128-F212 HydrophobicContact CG2-CE2 4.04Å; V128-F212 HydrophobicContact CG2-CZ 3.73Å; V128-I216 HydrophobicContact CG2-CD1 3.69Å |
| 129 | Y | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 109.2 | -179.4 | -165.6 | -101 | 0 | 0 | 0 | 111 | L59 W117 V131 A142 L146 L149 V159 V160 L161 | L59-Y129 HydrophobicContact CB-CD2 4.06Å; L59-Y129 HydrophobicContact CB-CE2 4.38Å; W117-Y129 HydrophobicContact CH2-CE2 4.38Å; W117-Y129 HydrophobicContact CZ3-CE2 4.04Å; Y129-V131 HydrophobicContact CD1-CG2 3.58Å; Y129-V131 HydrophobicContact CE1-CG2 3.63Å; Y129-A142 HydrophobicContact CE1-CB 4.49Å; Y129-A142 PolarHBondContact OH-O 3.21Å; Y129-L146 HydrophobicContact CD1-CB 4.13Å; Y129-L146 HydrophobicContact CD1-CD1 3.96Å; Y129-L146 HydrophobicContact CD1-CD2 4.08Å; Y129-L146 HydrophobicContact CD1-CG 4.28Å; Y129-L146 HydrophobicContact CD2-CD1 4.09Å; Y129-L146 HydrophobicContact CE1-CB 3.74Å; Y129-L146 HydrophobicContact CE1-CD1 4.43Å; Y129-L146 HydrophobicContact CE1-CD2 4.34Å; Y129-L146 HydrophobicContact CE1-CG 4.39Å; Y129-L146 HydrophobicContact CE2-CB 4.33Å; Y129-L146 HydrophobicContact CG-CD1 3.77Å; Y129-L149 HydrophobicContact CD2-CD1 4.3Å; Y129-L149 HydrophobicContact CE2-CD1 4.14Å; Y129-V159 PolarHBondContact N-O 3.32Å; Y129-V160 CarbonylContact O-C 3.56Å; Y129-V160 WeakPolarHBondContact O-CA 3.48Å; Y129-L161 PolarHBondContact O-N 3.09Å |
| 130 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.6 | -175.9 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | V58 L59 G60 A64 K66 I69 V128 L161 N163 | V58-V130 HydrophobicContact CG1-CG2 4.03Å; L59-V130 PolarHBondContact O-N 2.92Å; G60-V130 WeakPolarHBondContact CA-O 3.34Å; A64-V130 HydrophobicContact CB-CB 4.36Å; A64-V130 HydrophobicContact CB-CG1 4.1Å; A64-V130 WeakPolarHBondContact CB-O 3.32Å; K66-V130 HydrophobicContact CG-CB 3.82Å; K66-V130 HydrophobicContact CG-CG1 4.48Å; K66-V130 HydrophobicContact CG-CG2 3.84Å; I69-V130 HydrophobicContact CD1-CG1 3.65Å; I69-V130 HydrophobicContact CD1-CG2 4.05Å; V128-V130 HydrophobicContact CG1-CG2 4.25Å; V130-L161 HydrophobicContact CG2-CB 4.48Å; V130-L161 HydrophobicContact CG2-CD1 4.38Å; V130-N163 HydrophobicContact CG1-CB 3.92Å |
| 131 | V | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.1 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | Y129 S133 L139 V160 L161 N163 L176 L180 | Y129-V131 HydrophobicContact CD1-CG2 3.58Å; Y129-V131 HydrophobicContact CE1-CG2 3.63Å; V131-S133 PolarHBondContact O-N 2.86Å; V131-L139 HydrophobicContact CG1-CD2 3.43Å; V131-L139 VanDerWaalsContact CG1-CD2 3.43Å; V131-V160 HydrophobicContact CG2-CG1 4.06Å; V131-L161 PolarHBondContact N-O 3.43Å; V131-N163 WeakPolarHBondContact O-CB 3.28Å; V131-N163 PolarHBondContact O-N 3.27Å; V131-L176 HydrophobicContact CG1-CD2 4.31Å; V131-L180 HydrophobicContact CG2-CD1 4.07Å |
| 132 | D | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 104.3 | 168.3 | -173.5 | -18.9 | 0 | 0 | 0 | 109 | S134 D135 K164 K167 | D132-S134 PolarHBondContact O-N 2.83Å; D132-S134 WeakPolarHBondContact OD1-CA 3.43Å; D132-S134 WeakPolarHBondContact OD1-CB 3.34Å; D132-S134 PolarHBondContact OD1-N 2.84Å; D132-S134 PolarHBondContact OD1-OG 2.9Å; D132-D135 HydrophobicContact CB-CB 3.86Å; D132-D135 PolarHBondContact O-N 2.73Å; D132-D135 VanDerWaalsContact O-N 3.13Å; D132-D135 PolarHBondContact OD1-N 3.05Å; D132-K164 WeakPolarHBondContact OD1-CD 3.38Å; D132-K164 WeakPolarHBondContact OD2-CD 3.33Å; D132-K164 WeakPolarHBondContact OD2-CE 3.34Å; D132-K164 IonicContact OD2-NZ 2.67Å; D132-K164 PolarHBondContact OD2-NZ 2.79Å; D132-K167 IonicContact OD2-NZ 3.87Å |
| 133 | S | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.7 | -178.8 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | V131 N163 Q165 A170 M171 | V131-S133 PolarHBondContact O-N 2.86Å; S133-N163 VanDerWaalsContact CB-O 3.22Å; S133-N163 WeakPolarHBondContact CB-O 3.5Å; S133-N163 PolarHBondContact N-O 3.18Å; S133-N163 PolarHBondContact OG-O 2.88Å; S133-Q165 VanDerWaalsContact CB-NE2 3.33Å; S133-Q165 PolarHBondContact OG-NE2 2.81Å; S133-A170 WeakPolarHBondContact OG-CB 3.39Å; S133-M171 PolarHBondContact O-N 3.22Å |
| 134 | S | 97.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.5 | 177.1 | 75 | 0 | 0 | 0 | 0 | 112.9 | D132 R136 K167 N169 | D132-S134 PolarHBondContact O-N 2.83Å; D132-S134 WeakPolarHBondContact OD1-CA 3.43Å; D132-S134 WeakPolarHBondContact OD1-CB 3.34Å; D132-S134 PolarHBondContact OD1-N 2.84Å; D132-S134 PolarHBondContact OD1-OG 2.9Å; S134-R136 VanDerWaalsContact C-N 3.34Å; S134-R136 PolarHBondContact O-N 3.46Å; S134-R136 VanDerWaalsContact O-N 3.09Å; S134-K167 VanDerWaalsContact CB-CD 3.41Å; S134-K167 WeakPolarHBondContact OG-CD 3.47Å; S134-K167 PolarHBondContact OG-NZ 3.36Å; S134-K167 VanDerWaalsContact OG-NZ 3.09Å; S134-N169 WeakPolarHBondContact CB-OD1 3.34Å; S134-N169 PolarHBondContact O-ND2 2.93Å |
| 135 | D | 97.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.193 | 20% | 0.196 | C | C | . | . | trans | -91.4 | 69.5 | -174.5 | -163.1 | -20.4 | 0 | 0 | 0 | 111.9 | D132 K137 R138 L139 | D132-D135 HydrophobicContact CB-CB 3.86Å; D132-D135 PolarHBondContact O-N 2.73Å; D132-D135 VanDerWaalsContact O-N 3.13Å; D132-D135 PolarHBondContact OD1-N 3.05Å; D135-K137 PolarHBondContact O-N 3.23Å; D135-K137 VanDerWaalsContact O-N 3.11Å; D135-R138 PolarHBondContact O-N 2.95Å; D135-R138 PolarHBondContact OD1-N 3.46Å; D135-R138 IonicContact OD2-CZ 3.39Å; D135-R138 IonicContact OD2-NE 3.69Å; D135-R138 PolarHBondContact OD2-NE 2.89Å; D135-R138 IonicContact OD2-NH2 2.7Å; D135-R138 PolarHBondContact OD2-NH2 3.37Å; D135-L139 PolarHBondContact O-N 2.95Å | ||
| 136 | R | 96.5 | Very high | 97.8 | Very high | 110 Ų | 110 | 36.2 Ų | 36.2 | 42% | 0.415 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.2 | -177.5 | -51.3 | -160 | 168.2 | -133.4 | -1.2 | 113 | S134 N169 M171 E175 | S134-R136 VanDerWaalsContact C-N 3.34Å; S134-R136 PolarHBondContact O-N 3.46Å; S134-R136 VanDerWaalsContact O-N 3.09Å; R136-N169 PolarHBondContact NE-O 3.4Å; R136-M171 HydrophobicContact CB-CE 4.01Å; R136-M171 HydrophobicContact CG-CE 3.66Å; R136-M171 HydrophobicContact CG-CG 4.49Å; R136-E175 IonicContact CZ-OE1 3.16Å; R136-E175 IonicContact NH1-OE1 3.13Å; R136-E175 PolarHBondContact NH1-OE1 3.02Å; R136-E175 IonicContact NH2-OE1 2.79Å; R136-E175 PolarHBondContact NH2-OE1 3.14Å; R136-E175 IonicContact NH2-OE2 3.51Å |
| 137 | K | 97.4 | Very high | 97.8 | Very high | 194 Ų | 194 | 37.3 Ų | 37.3 | 84% | 0.843 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -37.6 | -179 | -67.6 | -176.7 | 179.8 | -179.5 | 0 | 112.3 | D135 | D135-K137 PolarHBondContact O-N 3.23Å; D135-K137 VanDerWaalsContact O-N 3.11Å |
| 138 | R | 97.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 24% | 0.242 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.8 | -179.3 | -68.7 | -166 | -65.6 | 149.8 | 7.3 | 114.3 | L61 D62 D135 Q141 A142 | L61-R138 HydrophobicContact CD1-CB 3.91Å; D62-R138 PolarHBondContact O-NH1 2.89Å; D62-R138 PolarHBondContact O-NH2 2.94Å; D62-R138 IonicContact OD1-NH1 2.68Å; D62-R138 IonicContact OD2-NH1 3.81Å; D62-R138 PolarHBondContact OD2-NH1 2.99Å; D62-R138 VanDerWaalsContact OD2-NH1 3.13Å; D135-R138 PolarHBondContact O-N 2.95Å; D135-R138 PolarHBondContact OD1-N 3.46Å; D135-R138 IonicContact OD2-CZ 3.39Å; D135-R138 IonicContact OD2-NE 3.69Å; D135-R138 PolarHBondContact OD2-NE 2.89Å; D135-R138 IonicContact OD2-NH2 2.7Å; D135-R138 PolarHBondContact OD2-NH2 3.37Å; R138-Q141 WeakPolarHBondContact O-CB 3.29Å; R138-Q141 PolarHBondContact O-N 3.45Å; R138-Q141 VanDerWaalsContact O-N 3.09Å; R138-A142 PolarHBondContact O-N 3.41Å |
| 139 | L | 96.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | 176.2 | -83.6 | 172.1 | 0 | 0 | 0 | 115 | V131 D135 Q141 A142 K143 M171 L176 A179 L180 | V131-L139 HydrophobicContact CG1-CD2 3.43Å; V131-L139 VanDerWaalsContact CG1-CD2 3.43Å; D135-L139 PolarHBondContact O-N 2.95Å; L139-Q141 PolarHBondContact O-N 3.32Å; L139-A142 PolarHBondContact O-N 3.46Å; L139-A142 VanDerWaalsContact O-N 3.15Å; L139-K143 WeakPolarHBondContact O-CB 3.44Å; L139-K143 PolarHBondContact O-N 2.94Å; L139-M171 HydrophobicContact CD1-CE 3.14Å; L139-M171 HydrophobicContact CD1-SD 3.17Å; L139-M171 WeakPolarHBondContact CD1-SD 3.48Å; L139-L176 HydrophobicContact CD1-CD2 4.49Å; L139-L176 HydrophobicContact CD2-CD2 4.04Å; L139-A179 HydrophobicContact CD1-CB 4.19Å; L139-L180 HydrophobicContact CD2-CD2 3.89Å; L139-L180 HydrophobicContact CD2-CG 4.43Å |
| 140 | P | 98.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 57% | 0.571 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -58 | -38.1 | 175 | -26.6 | 36.2 | 0 | 0 | 0 | 112.7 | A144 | P140-A144 WeakPolarHBondContact O-CB 3.36Å; P140-A144 PolarHBondContact O-N 3.09Å |
| 141 | Q | 98.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.3 | -43.8 | 175.4 | -173.1 | 176.7 | 38.7 | 0 | 0 | 111.3 | L61 R114 R138 L139 K143 A144 E145 | L61-Q141 HydrophobicContact CD1-CB 4.25Å; L61-Q141 HydrophobicContact CD1-CG 4.29Å; L61-Q141 HydrophobicContact CD2-CG 4.28Å; R114-Q141 VanDerWaalsContact NH1-CD 3.3Å; R138-Q141 WeakPolarHBondContact O-CB 3.29Å; R138-Q141 PolarHBondContact O-N 3.45Å; R138-Q141 VanDerWaalsContact O-N 3.09Å; L139-Q141 PolarHBondContact O-N 3.32Å; Q141-K143 VanDerWaalsContact C-N 3.31Å; Q141-K143 PolarHBondContact O-N 2.89Å; Q141-A144 PolarHBondContact O-N 3.34Å; Q141-E145 PolarHBondContact O-N 3.42Å |
| 142 | A | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L61 Y129 R138 L139 L146 L180 | L61-A142 HydrophobicContact CD1-CB 3.82Å; L61-A142 HydrophobicContact CG-CB 4.07Å; Y129-A142 HydrophobicContact CE1-CB 4.49Å; Y129-A142 PolarHBondContact OH-O 3.21Å; R138-A142 PolarHBondContact O-N 3.41Å; L139-A142 PolarHBondContact O-N 3.46Å; L139-A142 VanDerWaalsContact O-N 3.15Å; A142-L146 WeakPolarHBondContact O-CB 3.48Å; A142-L146 PolarHBondContact O-N 2.82Å; A142-L180 HydrophobicContact CB-CD2 4.5Å |
| 143 | K | 98.4 | Very high | 96.5 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 30% | 0.296 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 172.7 | 172.5 | -179.9 | 166 | 178.7 | 0 | 111.2 | L139 Q141 E145 L146 H147 A179 L180 S181 | L139-K143 WeakPolarHBondContact O-CB 3.44Å; L139-K143 PolarHBondContact O-N 2.94Å; Q141-K143 VanDerWaalsContact C-N 3.31Å; Q141-K143 PolarHBondContact O-N 2.89Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 3.03Å; K143-L146 PolarHBondContact O-N 3.29Å; K143-H147 WeakPolarHBondContact O-CB 3.35Å; K143-H147 PolarHBondContact O-CD2 2.81Å; K143-H147 PolarHBondContact O-N 3.09Å; K143-A179 WeakPolarHBondContact CD-O 3.43Å; K143-L180 HydrophobicContact CB-CD2 4.08Å; K143-S181 WeakPolarHBondContact CE-OG 3.29Å; K143-S181 PolarHBondContact NZ-OG 3.14Å |
| 144 | A | 98.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 48% | 0.479 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | P140 Q141 R148 | P140-A144 WeakPolarHBondContact O-CB 3.36Å; P140-A144 PolarHBondContact O-N 3.09Å; Q141-A144 PolarHBondContact O-N 3.34Å; A144-R148 WeakPolarHBondContact O-CB 3.48Å; A144-R148 PolarHBondContact O-N 2.69Å |
| 145 | E | 98.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 176.3 | -70.3 | -62.3 | 163.3 | 0 | 0 | 112.9 | L61 W117 Q141 K143 H147 R148 L149 | L61-E145 HydrophobicContact CD2-CG 4.38Å; W117-E145 HydrophobicContact CZ3-CB 3.85Å; W117-E145 HydrophobicContact CZ3-CG 4.21Å; Q141-E145 PolarHBondContact O-N 3.42Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 3.03Å; E145-H147 PolarHBondContact O-N 3.31Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 2.91Å; E145-R148 IonicContact OE2-CZ 3.3Å; E145-R148 VanDerWaalsContact OE2-CZ 3.3Å; E145-R148 IonicContact OE2-NE 2.84Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 2.87Å; E145-R148 PolarHBondContact OE2-NH2 2.84Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.83Å |
| 146 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.5 | -53.7 | 175.5 | 176.2 | 58.9 | 0 | 0 | 0 | 110.1 | Y129 A142 K143 R148 L149 L150 V158 V160 L182 | Y129-L146 HydrophobicContact CD1-CB 4.13Å; Y129-L146 HydrophobicContact CD1-CD1 3.96Å; Y129-L146 HydrophobicContact CD1-CD2 4.08Å; Y129-L146 HydrophobicContact CD1-CG 4.28Å; Y129-L146 HydrophobicContact CD2-CD1 4.09Å; Y129-L146 HydrophobicContact CE1-CB 3.74Å; Y129-L146 HydrophobicContact CE1-CD1 4.43Å; Y129-L146 HydrophobicContact CE1-CD2 4.34Å; Y129-L146 HydrophobicContact CE1-CG 4.39Å; Y129-L146 HydrophobicContact CE2-CB 4.33Å; Y129-L146 HydrophobicContact CG-CD1 3.77Å; A142-L146 WeakPolarHBondContact O-CB 3.48Å; A142-L146 PolarHBondContact O-N 2.82Å; K143-L146 PolarHBondContact O-N 3.29Å; L146-R148 PolarHBondContact O-N 2.78Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 2.84Å; L146-L150 HydrophobicContact CD1-CD1 3.91Å; L146-L150 HydrophobicContact CD1-CD2 4.01Å; L146-L150 HydrophobicContact CD1-CG 3.87Å; L146-L150 HydrophobicContact CG-CD1 3.95Å; L146-L150 HydrophobicContact CG-CG 4.22Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.47Å; L146-L150 PolarHBondContact O-N 3.31Å; L146-V158 HydrophobicContact CD1-CG1 4.5Å; L146-V160 HydrophobicContact CD2-CG2 4.2Å; L146-L182 HydrophobicContact CD2-CD2 3.72Å |
| 147 | H | 97.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -35.5 | -180 | -77.6 | -129.7 | 0 | 0 | 0 | 112 | K143 E145 R151 L180 V185 | K143-H147 WeakPolarHBondContact O-CB 3.35Å; K143-H147 PolarHBondContact O-CD2 2.81Å; K143-H147 PolarHBondContact O-N 3.09Å; E145-H147 PolarHBondContact O-N 3.31Å; H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å; H147-R151 VanDerWaalsContact O-N 3.17Å; H147-R151 PolarHBondContact O-NH1 2.8Å; H147-L180 PolarHBondContact NE2-O 3.15Å; H147-V185 VanDerWaalsContact CE1-CG1 3.44Å; H147-V185 WeakPolarHBondContact CE1-CG1 3.45Å |
| 148 | R | 95.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 173.6 | -174.6 | -176.6 | 70.3 | 92.2 | -3.3 | 112 | R114 A144 E145 L146 | R114-R148 PolarHBondContact O-NH2 2.8Å; A144-R148 WeakPolarHBondContact O-CB 3.48Å; A144-R148 PolarHBondContact O-N 2.69Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 2.91Å; E145-R148 IonicContact OE2-CZ 3.3Å; E145-R148 VanDerWaalsContact OE2-CZ 3.3Å; E145-R148 IonicContact OE2-NE 2.84Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 2.87Å; E145-R148 PolarHBondContact OE2-NH2 2.84Å; L146-R148 PolarHBondContact O-N 2.78Å |
| 149 | L | 95.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 177.2 | -63.8 | 166.4 | 0 | 0 | 0 | 111.5 | L59 W117 T118 L121 L127 Y129 E145 L146 R151 L152 | L59-L149 HydrophobicContact CD1-CD1 3.59Å; L59-L149 HydrophobicContact CD1-CD2 4.1Å; W117-L149 HydrophobicContact CB-CD2 3.92Å; W117-L149 HydrophobicContact CE3-CD1 3.84Å; W117-L149 HydrophobicContact CE3-CD2 4.37Å; W117-L149 HydrophobicContact CE3-CG 4.43Å; W117-L149 HydrophobicContact CZ3-CD1 4.23Å; T118-L149 HydrophobicContact CG2-CD2 4.19Å; L121-L149 HydrophobicContact CD1-CB 4.4Å; L121-L149 HydrophobicContact CD1-CD2 3.89Å; L121-L149 HydrophobicContact CG-CD2 4.41Å; L127-L149 HydrophobicContact CD2-CD1 4.4Å; Y129-L149 HydrophobicContact CD2-CD1 4.3Å; Y129-L149 HydrophobicContact CE2-CD1 4.14Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.83Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 2.84Å; L149-R151 VanDerWaalsContact C-N 3.26Å; L149-R151 PolarHBondContact O-N 3.33Å; L149-L152 WeakPolarHBondContact O-CB 3.45Å; L149-L152 PolarHBondContact O-N 3.05Å |
| 150 | L | 94.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.6 | -25.6 | -176.3 | -60.7 | -172.9 | 0 | 0 | 0 | 113.4 | L127 L146 L152 D153 V158 V185 R189 | L127-L150 HydrophobicContact CD2-CD2 4.19Å; L146-L150 HydrophobicContact CD1-CD1 3.91Å; L146-L150 HydrophobicContact CD1-CD2 4.01Å; L146-L150 HydrophobicContact CD1-CG 3.87Å; L146-L150 HydrophobicContact CG-CD1 3.95Å; L146-L150 HydrophobicContact CG-CG 4.22Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.47Å; L146-L150 PolarHBondContact O-N 3.31Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 2.77Å; L150-D153 CarbonylContact O-C 3.47Å; L150-V158 HydrophobicContact CD2-CB 4.41Å; L150-V158 HydrophobicContact CD2-CG1 4.38Å; L150-V158 HydrophobicContact CD2-CG2 3.4Å; L150-V185 HydrophobicContact CD1-CB 3.72Å; L150-V185 HydrophobicContact CD1-CG1 4.32Å; L150-V185 HydrophobicContact CD1-CG2 3.6Å; L150-R189 PolarHBondContact O-NH2 3.28Å |
| 151 | R | 93.2 | Very high | 95.5 | Very high | 177 Ų | 177 | 45 Ų | 45 | 67% | 0.668 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.8 | 173.4 | -77.8 | -171.3 | -61.3 | -91.8 | 5.2 | 113.8 | H147 L149 | H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å; H147-R151 VanDerWaalsContact O-N 3.17Å; H147-R151 PolarHBondContact O-NH1 2.8Å; L149-R151 VanDerWaalsContact C-N 3.26Å; L149-R151 PolarHBondContact O-N 3.33Å |
| 152 | L | 92.4 | Very high | 95.5 | Very high | 110 Ų | 110 | 41.6 Ų | 41.6 | 58% | 0.576 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -25.4 | -177.1 | -65.2 | 174.3 | 0 | 0 | 0 | 112.8 | T118 L121 L149 L150 | T118-L152 HydrophobicContact CG2-CD1 3.23Å; L121-L152 HydrophobicContact CD1-CB 4.15Å; L121-L152 HydrophobicContact CD1-CD1 3.97Å; L149-L152 WeakPolarHBondContact O-CB 3.45Å; L149-L152 PolarHBondContact O-N 3.05Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 2.77Å |
| 153 | D | 91.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | trans | -142.1 | 108.3 | 176 | -170.3 | -31.9 | 0 | 0 | 0 | 109.1 | L150 Q155 L156 R189 | L150-D153 CarbonylContact O-C 3.47Å; D153-Q155 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact OD1-N 3.19Å; D153-L156 HydrophobicContact CB-CB 3.92Å; D153-L156 PolarHBondContact OD1-N 3.03Å; D153-R189 PolarHBondContact O-NH1 3.07Å; D153-R189 PolarHBondContact O-NH2 2.58Å | ||
| 154 | S | 89 | Confident | 95.1 | Very high | 79 Ų | 79 | 40.6 Ų | 40.6 | 55% | 0.552 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -75.2 | -19.1 | -177.3 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | R189 | S154-R189 WeakPolarHBondContact O-CB 3.43Š|
| 155 | Q | 90.2 | Very high | 94.9 | Very high | 161 Ų | 161 | 40 Ų | 40 | 75% | 0.752 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -105.5 | -16.5 | -173.3 | -66 | -172.6 | -23 | 0 | 0 | 113 | D153 P157 | D153-Q155 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact OD1-N 3.19Å; Q155-P157 WeakPolarHBondContact O-CD 3.38Å; Q155-P157 VanDerWaalsContact O-N 3.15Å |
| 156 | L | 93.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -54 | 117.3 | -179.7 | -175.3 | 62.9 | 0 | 0 | 0 | 111.7 | L121 T124 L127 D153 V158 | L121-L156 HydrophobicContact CD2-CD2 3.7Å; T124-L156 HydrophobicContact CG2-CD1 4.01Å; T124-L156 HydrophobicContact CG2-CD2 4.44Å; T124-L156 WeakPolarHBondContact O-CD1 3.18Å; L127-L156 HydrophobicContact CB-CD2 3.8Å; L127-L156 HydrophobicContact CB-CG 4.21Å; D153-L156 HydrophobicContact CB-CB 3.92Å; D153-L156 PolarHBondContact OD1-N 3.03Å; L156-V158 VanDerWaalsContact O-CG2 3.26Å; L156-V158 WeakPolarHBondContact O-CG2 3.29Å | ||
| 157 | P | 96.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -61.7 | 137.7 | 172.5 | -22.5 | 33.7 | 0 | 0 | 0 | 111.5 | H125 V126 L127 Q155 R190 L219 | H125-P157 WeakPolarHBondContact O-CD 3.43Å; V126-P157 HydrophobicContact CG2-CB 4.44Å; L127-P157 PolarHBondContact N-O 3.42Å; Q155-P157 WeakPolarHBondContact O-CD 3.38Å; Q155-P157 VanDerWaalsContact O-N 3.15Å; P157-R190 CarbonylContact C-O 3.46Å; P157-R190 WeakPolarHBondContact CA-O 3.46Å; P157-R190 HydrophobicContact CB-CB 4.3Å; P157-L219 HydrophobicContact CB-CB 4.21Å; P157-L219 HydrophobicContact CB-CD1 4.28Å; P157-L219 HydrophobicContact CB-CD2 3.79Å; P157-L219 HydrophobicContact CB-CG 4.32Å | ||
| 158 | V | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.1 | -173.7 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | L127 L146 L150 L156 V160 R190 L191 F192 | L127-V158 HydrophobicContact CB-CG2 4.11Å; L127-V158 HydrophobicContact CD2-CG1 4.35Å; L127-V158 HydrophobicContact CD2-CG2 4.22Å; L127-V158 HydrophobicContact CG-CG1 4.38Å; L127-V158 CarbonylContact O-C 3.54Å; L127-V158 VanDerWaalsContact O-CA 3.31Å; L127-V158 WeakPolarHBondContact O-CA 3.33Å; L146-V158 HydrophobicContact CD1-CG1 4.5Å; L150-V158 HydrophobicContact CD2-CB 4.41Å; L150-V158 HydrophobicContact CD2-CG1 4.38Å; L150-V158 HydrophobicContact CD2-CG2 3.4Å; L156-V158 VanDerWaalsContact O-CG2 3.26Å; L156-V158 WeakPolarHBondContact O-CG2 3.29Å; V158-V160 HydrophobicContact CG1-CG2 4.09Å; V158-R190 PolarHBondContact N-O 2.98Å; V158-L191 CarbonylContact O-C 3.57Å; V158-L191 WeakPolarHBondContact O-CA 3.44Å; V158-F192 PolarHBondContact O-N 2.9Å |
| 159 | V | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 110.9 | 169 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | V126 L127 V128 Y129 L161 F192 L194 F212 L215 I216 L219 | V126-V159 HydrophobicContact CG1-CG2 4.25Å; L127-V159 PolarHBondContact O-N 2.84Å; V128-V159 CarbonylContact C-O 3.43Å; V128-V159 WeakPolarHBondContact CA-O 3.37Å; V128-V159 HydrophobicContact CG2-CB 4.45Å; Y129-V159 PolarHBondContact N-O 3.32Å; V159-L161 HydrophobicContact CG1-CD2 3.82Å; V159-L161 HydrophobicContact CG1-CG 4.38Å; V159-F192 CarbonylContact C-O 3.57Å; V159-F192 WeakPolarHBondContact CA-O 3.43Å; V159-L194 HydrophobicContact CG1-CD1 4.06Å; V159-L194 HydrophobicContact CG1-CG 4.43Å; V159-F212 HydrophobicContact CG1-CD2 4.38Å; V159-F212 HydrophobicContact CG1-CE2 4.08Å; V159-L215 HydrophobicContact CG1-CD2 4.11Å; V159-L215 HydrophobicContact CG2-CD2 3.95Å; V159-L215 HydrophobicContact CG2-CG 4.37Å; V159-I216 HydrophobicContact CG2-CD1 3.9Å; V159-L219 HydrophobicContact CG2-CD1 3.48Å; V159-L219 VanDerWaalsContact CG2-CD1 3.48Å |
| 160 | V | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.4 | 172 | -176 | 0 | 0 | 0 | 0 | 108.6 | Y129 V131 L146 V158 L180 L182 F192 L193 L194 | Y129-V160 CarbonylContact O-C 3.56Å; Y129-V160 WeakPolarHBondContact O-CA 3.48Å; V131-V160 HydrophobicContact CG2-CG1 4.06Å; L146-V160 HydrophobicContact CD2-CG2 4.2Å; V158-V160 HydrophobicContact CG1-CG2 4.09Å; V160-L180 HydrophobicContact CG1-CD1 3.9Å; V160-L182 HydrophobicContact CG2-CD1 4.43Å; V160-L182 HydrophobicContact CG2-CD2 4.3Å; V160-F192 PolarHBondContact N-O 3.38Å; V160-L193 HydrophobicContact CB-CD1 3.81Å; V160-L193 HydrophobicContact CG1-CD1 3.62Å; V160-L193 WeakPolarHBondContact O-CA 3.47Å; V160-L194 PolarHBondContact O-N 3.18Å |
| 161 | L | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 106.1 | 175.4 | -61.5 | -176.2 | 0 | 0 | 0 | 109.8 | I69 V128 Y129 V130 V131 V159 N163 L194 F212 | I69-L161 HydrophobicContact CD1-CD1 3.89Å; I69-L161 HydrophobicContact CG2-CD1 4.25Å; V128-L161 HydrophobicContact CG1-CD1 3.7Å; V128-L161 HydrophobicContact CG1-CG 4.06Å; Y129-L161 PolarHBondContact O-N 3.09Å; V130-L161 HydrophobicContact CG2-CB 4.48Å; V130-L161 HydrophobicContact CG2-CD1 4.38Å; V131-L161 PolarHBondContact N-O 3.43Å; V159-L161 HydrophobicContact CG1-CD2 3.82Å; V159-L161 HydrophobicContact CG1-CG 4.38Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 3.39Å; L161-L194 HydrophobicContact CD2-CB 3.85Å; L161-L194 HydrophobicContact CD2-CD1 4.06Å; L161-L194 HydrophobicContact CD2-CG 4.4Å; L161-F212 HydrophobicContact CD1-CD2 4.25Å; L161-F212 HydrophobicContact CD1-CE2 3.78Å; L161-F212 HydrophobicContact CD1-CZ 4.22Å; L161-F212 HydrophobicContact CD2-CD2 4.01Å; L161-F212 HydrophobicContact CD2-CE2 4.05Å; L161-F212 HydrophobicContact CG-CE2 4.27Å |
| 162 | G | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 82.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q165 L194 A196 | G162-Q165 WeakPolarHBondContact O-CG 3.36Å; G162-Q165 PolarHBondContact O-NE2 3.47Å; G162-Q165 VanDerWaalsContact O-NE2 3.12Å; G162-L194 PolarHBondContact N-O 3.27Å; G162-A196 PolarHBondContact O-N 3.32Å |
| 163 | N | 95.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 163.8 | -172.9 | -168.6 | 31.6 | 0 | 0 | 0 | 113.1 | A64 I69 V130 V131 S133 L161 A196 | A64-N163 PolarHBondContact O-ND2 2.81Å; I69-N163 HydrophobicContact CD1-CB 4.3Å; V130-N163 HydrophobicContact CG1-CB 3.92Å; V131-N163 WeakPolarHBondContact O-CB 3.28Å; V131-N163 PolarHBondContact O-N 3.27Å; S133-N163 VanDerWaalsContact CB-O 3.22Å; S133-N163 WeakPolarHBondContact CB-O 3.5Å; S133-N163 PolarHBondContact N-O 3.18Å; S133-N163 PolarHBondContact OG-O 2.88Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 3.39Å; N163-A196 CarbonylContact C-O 3.37Å; N163-A196 VanDerWaalsContact CA-O 3.28Å; N163-A196 WeakPolarHBondContact CA-O 3.12Å; N163-A196 HydrophobicContact CB-CB 4.49Å; N163-A196 PolarHBondContact OD1-O 3.34Å |
| 164 | K | 93.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | trans | 69.3 | 37.9 | 177.8 | -42.8 | -165.7 | -165.4 | 171.8 | 0 | 114.8 | G63 D132 D166 K167 A196 | G63-K164 VanDerWaalsContact O-CE 3.27Å; G63-K164 WeakPolarHBondContact O-CE 3.14Å; G63-K164 PolarHBondContact O-NZ 3.44Å; D132-K164 WeakPolarHBondContact OD1-CD 3.38Å; D132-K164 WeakPolarHBondContact OD2-CD 3.33Å; D132-K164 WeakPolarHBondContact OD2-CE 3.34Å; D132-K164 IonicContact OD2-NZ 2.67Å; D132-K164 PolarHBondContact OD2-NZ 2.79Å; K164-D166 VanDerWaalsContact C-OD1 3.24Å; K164-D166 VanDerWaalsContact CA-OD1 3.23Å; K164-D166 WeakPolarHBondContact CA-OD1 3.15Å; K164-D166 PolarHBondContact O-N 3.29Å; K164-K167 HydrophobicContact CB-CD 3.99Å; K164-K167 HydrophobicContact CB-CG 4.37Å; K164-K167 HydrophobicContact CD-CD 4.24Å; K164-K167 PolarHBondContact O-N 3.12Å; K164-A196 PolarHBondContact N-O 2.98Å | ||
| 165 | Q | 93.2 | Very high | 94.9 | Very high | 47 Ų | 47 | 48 Ų | 48 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11 | 177.4 | -63.5 | -73.4 | -34.6 | 0 | 0 | 113.6 | S133 G162 K167 M171 A195 A196 Q197 | S133-Q165 VanDerWaalsContact CB-NE2 3.33Å; S133-Q165 PolarHBondContact OG-NE2 2.81Å; G162-Q165 WeakPolarHBondContact O-CG 3.36Å; G162-Q165 PolarHBondContact O-NE2 3.47Å; G162-Q165 VanDerWaalsContact O-NE2 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.25Å; Q165-K167 PolarHBondContact O-N 3.06Å; Q165-M171 PolarHBondContact NE2-O 3.41Å; Q165-M171 PolarHBondContact OE1-O 3.27Å; Q165-A195 HydrophobicContact CG-CB 3.96Å; Q165-A196 WeakPolarHBondContact CG-O 3.18Å; Q165-A196 PolarHBondContact N-O 2.93Å; Q165-Q197 HydrophobicContact CB-CB 4.16Å |
| 166 | D | 90.5 | Very high | 95.2 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -17.7 | 172.3 | 57.3 | -70.7 | 0 | 0 | 0 | 113.7 | K164 | K164-D166 VanDerWaalsContact C-OD1 3.24Å; K164-D166 VanDerWaalsContact CA-OD1 3.23Å; K164-D166 WeakPolarHBondContact CA-OD1 3.15Å; K164-D166 PolarHBondContact O-N 3.29Å |
| 167 | K | 92.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -84.7 | 143.1 | -176.7 | -68.5 | 179.4 | 170.7 | -172.6 | 0 | 112.3 | D132 S134 K164 Q165 N169 A170 | D132-K167 IonicContact OD2-NZ 3.87Å; S134-K167 VanDerWaalsContact CB-CD 3.41Å; S134-K167 WeakPolarHBondContact OG-CD 3.47Å; S134-K167 PolarHBondContact OG-NZ 3.36Å; S134-K167 VanDerWaalsContact OG-NZ 3.09Å; K164-K167 HydrophobicContact CB-CD 3.99Å; K164-K167 HydrophobicContact CB-CG 4.37Å; K164-K167 HydrophobicContact CD-CD 4.24Å; K164-K167 PolarHBondContact O-N 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.25Å; Q165-K167 PolarHBondContact O-N 3.06Å; K167-N169 PolarHBondContact O-N 3.09Å; K167-A170 WeakPolarHBondContact O-CB 3.47Å; K167-A170 PolarHBondContact O-N 3.48Å |
| 168 | H | 90.6 | Very high | 95.5 | Very high | 186 Ų | 186 | 49.6 Ų | 49.6 | 86% | 0.861 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.3 | -176.8 | 94.4 | -74.6 | 0 | 0 | 0 | 114.9 | ||
| 169 | N | 93.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 11.8 | -177.4 | 63.5 | -40.3 | 0 | 0 | 0 | 113 | S134 R136 K167 M171 | S134-N169 WeakPolarHBondContact CB-OD1 3.34Å; S134-N169 PolarHBondContact O-ND2 2.93Å; R136-N169 PolarHBondContact NE-O 3.4Å; K167-N169 PolarHBondContact O-N 3.09Å; N169-M171 PolarHBondContact O-N 3.23Å |
| 170 | A | 96 | Very high | 95.5 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 135.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S133 K167 | S133-A170 WeakPolarHBondContact OG-CB 3.39Å; K167-A170 WeakPolarHBondContact O-CB 3.47Å; K167-A170 PolarHBondContact O-N 3.48Å |
| 171 | M | 96.7 | Very high | 95.5 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 138.6 | 172.1 | -75.5 | -172.7 | 176 | 0 | 0 | 111 | S133 R136 L139 Q165 N169 E175 L176 A179 | S133-M171 PolarHBondContact O-N 3.22Å; R136-M171 HydrophobicContact CB-CE 4.01Å; R136-M171 HydrophobicContact CG-CE 3.66Å; R136-M171 HydrophobicContact CG-CG 4.49Å; L139-M171 HydrophobicContact CD1-CE 3.14Å; L139-M171 HydrophobicContact CD1-SD 3.17Å; L139-M171 WeakPolarHBondContact CD1-SD 3.48Å; Q165-M171 PolarHBondContact NE2-O 3.41Å; Q165-M171 PolarHBondContact OE1-O 3.27Å; N169-M171 PolarHBondContact O-N 3.23Å; M171-E175 WeakPolarHBondContact CA-OE2 3.46Å; M171-E175 HydrophobicContact CB-CB 3.92Å; M171-E175 HydrophobicContact CG-CB 4.09Å; M171-E175 HydrophobicContact SD-CB 4.2Å; M171-L176 HydrophobicContact CB-CD1 4.48Å; M171-L176 HydrophobicContact CB-CD2 3.98Å; M171-L176 HydrophobicContact CB-CG 3.69Å; M171-L176 HydrophobicContact SD-CD2 3.98Å; M171-L176 HydrophobicContact SD-CG 4.43Å; M171-A179 HydrophobicContact CE-CB 4.39Å; M171-A179 HydrophobicContact SD-CB 4.16Å |
| 172 | S | 96 | Very high | 95.4 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 164.6 | 166.5 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | S174 E175 L176 | S172-S174 VanDerWaalsContact C-N 3.26Å; S172-S174 PolarHBondContact O-N 3.03Å; S172-E175 WeakPolarHBondContact CB-OE2 3.36Å; S172-E175 PolarHBondContact N-OE2 3.36Å; S172-E175 PolarHBondContact O-N 2.99Å; S172-E175 WeakPolarHBondContact OG-CG 3.47Å; S172-E175 PolarHBondContact OG-N 3.41Å; S172-E175 PolarHBondContact OG-OE2 2.66Å; S172-L176 PolarHBondContact O-N 3.11Å |
| 173 | V | 94.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57 | -41.1 | 176.6 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | L176 H177 L193 A195 | V173-L176 PolarHBondContact O-N 3.35Å; V173-H177 WeakPolarHBondContact O-CB 3.36Å; V173-H177 PolarHBondContact O-N 3.24Å; V173-L193 HydrophobicContact CG1-CD2 3.72Å; V173-L193 HydrophobicContact CG1-CG 4.04Å; V173-L193 VanDerWaalsContact O-CD2 3.29Å; V173-L193 WeakPolarHBondContact O-CD2 3.14Å; V173-A195 HydrophobicContact CG2-CB 3.89Å |
| 174 | S | 96.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 58.3 Ų | 58.3 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 178.5 | -161.6 | 0 | 0 | 0 | 0 | 111.7 | S172 L176 H177 E178 | S172-S174 VanDerWaalsContact C-N 3.26Å; S172-S174 PolarHBondContact O-N 3.03Å; S174-L176 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 2.92Å; S174-H177 WeakPolarHBondContact O-CB 3.46Å; S174-H177 PolarHBondContact O-N 3.38Å; S174-E178 PolarHBondContact O-N 3.18Å |
| 175 | E | 97.3 | Very high | 94.7 | Very high | 67 Ų | 67 | 57 Ų | 57 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.5 | -75 | 171.7 | 106.4 | 0 | 0 | 111.6 | R136 M171 S172 E178 A179 | R136-E175 IonicContact CZ-OE1 3.16Å; R136-E175 IonicContact NH1-OE1 3.13Å; R136-E175 PolarHBondContact NH1-OE1 3.02Å; R136-E175 IonicContact NH2-OE1 2.79Å; R136-E175 PolarHBondContact NH2-OE1 3.14Å; R136-E175 IonicContact NH2-OE2 3.51Å; M171-E175 WeakPolarHBondContact CA-OE2 3.46Å; M171-E175 HydrophobicContact CB-CB 3.92Å; M171-E175 HydrophobicContact CG-CB 4.09Å; M171-E175 HydrophobicContact SD-CB 4.2Å; S172-E175 WeakPolarHBondContact CB-OE2 3.36Å; S172-E175 PolarHBondContact N-OE2 3.36Å; S172-E175 PolarHBondContact O-N 2.99Å; S172-E175 WeakPolarHBondContact OG-CG 3.47Å; S172-E175 PolarHBondContact OG-N 3.41Å; S172-E175 PolarHBondContact OG-OE2 2.66Å; E175-E178 PolarHBondContact O-N 2.84Å; E175-A179 WeakPolarHBondContact O-CB 3.45Å; E175-A179 PolarHBondContact O-N 3.03Å |
| 176 | L | 97.3 | Very high | 94 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.6 | -79.6 | 173.6 | 0 | 0 | 0 | 112.2 | V131 L139 M171 S172 V173 S174 E178 A179 L180 L193 | V131-L176 HydrophobicContact CG1-CD2 4.31Å; L139-L176 HydrophobicContact CD1-CD2 4.49Å; L139-L176 HydrophobicContact CD2-CD2 4.04Å; M171-L176 HydrophobicContact CB-CD1 4.48Å; M171-L176 HydrophobicContact CB-CD2 3.98Å; M171-L176 HydrophobicContact CB-CG 3.69Å; M171-L176 HydrophobicContact SD-CD2 3.98Å; M171-L176 HydrophobicContact SD-CG 4.43Å; S172-L176 PolarHBondContact O-N 3.11Å; V173-L176 PolarHBondContact O-N 3.35Å; S174-L176 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 2.92Å; L176-E178 VanDerWaalsContact C-N 3.3Å; L176-E178 PolarHBondContact O-N 2.93Å; L176-A179 PolarHBondContact O-N 3.31Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.5Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.17Å; L176-L193 HydrophobicContact CB-CD2 4.09Å |
| 177 | H | 97.3 | Very high | 93.4 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 38% | 0.375 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 178.1 | -178.8 | -84.9 | 0 | 0 | 0 | 111.3 | V173 S174 S181 L182 L193 | V173-H177 WeakPolarHBondContact O-CB 3.36Å; V173-H177 PolarHBondContact O-N 3.24Å; S174-H177 WeakPolarHBondContact O-CB 3.46Å; S174-H177 PolarHBondContact O-N 3.38Å; H177-S181 WeakPolarHBondContact O-CA 3.36Å; H177-S181 PolarHBondContact O-N 3.23Å; H177-S181 VanDerWaalsContact O-N 3.09Å; H177-L182 PolarHBondContact O-N 3.34Å; H177-L193 HydrophobicContact CB-CD2 3.89Å |
| 178 | E | 97.4 | Very high | 92.9 | Very high | 134 Ų | 134 | 62.1 Ų | 62.1 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.2 | -50.2 | 176.3 | -70.8 | 175.1 | -165.7 | 0 | 0 | 112.2 | S174 E175 L176 L180 S181 | S174-E178 PolarHBondContact O-N 3.18Å; E175-E178 PolarHBondContact O-N 2.84Å; L176-E178 VanDerWaalsContact C-N 3.3Å; L176-E178 PolarHBondContact O-N 2.93Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.1Å; E178-S181 WeakPolarHBondContact O-CA 3.15Å; E178-S181 PolarHBondContact O-N 2.78Å; E178-S181 PolarHBondContact O-OG 2.96Å |
| 179 | A | 97.4 | Very high | 92.9 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L139 K143 M171 E175 L176 S181 | L139-A179 HydrophobicContact CD1-CB 4.19Å; K143-A179 WeakPolarHBondContact CD-O 3.43Å; M171-A179 HydrophobicContact CE-CB 4.39Å; M171-A179 HydrophobicContact SD-CB 4.16Å; E175-A179 WeakPolarHBondContact O-CB 3.45Å; E175-A179 PolarHBondContact O-N 3.03Å; L176-A179 PolarHBondContact O-N 3.31Å; A179-S181 VanDerWaalsContact C-N 3.32Å |
| 180 | L | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.5 | 174.5 | -62.1 | 173.4 | 0 | 0 | 0 | 112.6 | V131 L139 A142 K143 H147 V160 L176 E178 L182 | V131-L180 HydrophobicContact CG2-CD1 4.07Å; L139-L180 HydrophobicContact CD2-CD2 3.89Å; L139-L180 HydrophobicContact CD2-CG 4.43Å; A142-L180 HydrophobicContact CB-CD2 4.5Å; K143-L180 HydrophobicContact CB-CD2 4.08Å; H147-L180 PolarHBondContact NE2-O 3.15Å; V160-L180 HydrophobicContact CG1-CD1 3.9Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.5Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.17Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.1Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 HydrophobicContact CB-CD2 3.61Å; L180-L182 HydrophobicContact CB-CG 3.83Å; L180-L182 HydrophobicContact CD1-CD2 4.32Å; L180-L182 PolarHBondContact O-N 3.23Å |
| 181 | S | 97.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 57.7 Ų | 57.7 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 49.7 | -177.7 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | K143 H177 E178 A179 G183 A184 | K143-S181 WeakPolarHBondContact CE-OG 3.29Å; K143-S181 PolarHBondContact NZ-OG 3.14Å; H177-S181 WeakPolarHBondContact O-CA 3.36Å; H177-S181 PolarHBondContact O-N 3.23Å; H177-S181 VanDerWaalsContact O-N 3.09Å; E178-S181 WeakPolarHBondContact O-CA 3.15Å; E178-S181 PolarHBondContact O-N 2.78Å; E178-S181 PolarHBondContact O-OG 2.96Å; A179-S181 VanDerWaalsContact C-N 3.32Å; S181-G183 VanDerWaalsContact C-N 3.26Å; S181-G183 PolarHBondContact O-N 2.83Å; S181-A184 PolarHBondContact O-N 3.17Å; S181-A184 VanDerWaalsContact O-N 3.16Å |
| 182 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -66.2 | -30.3 | -174.2 | -59.3 | -179.6 | 0 | 0 | 0 | 112.2 | L146 V160 H177 L180 A184 V185 A186 L191 L193 | L146-L182 HydrophobicContact CD2-CD2 3.72Å; V160-L182 HydrophobicContact CG2-CD1 4.43Å; V160-L182 HydrophobicContact CG2-CD2 4.3Å; H177-L182 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 HydrophobicContact CB-CD2 3.61Å; L180-L182 HydrophobicContact CB-CG 3.83Å; L180-L182 HydrophobicContact CD1-CD2 4.32Å; L180-L182 PolarHBondContact O-N 3.23Å; L182-A184 PolarHBondContact O-N 3.36Å; L182-A184 VanDerWaalsContact O-N 3.17Å; L182-V185 VanDerWaalsContact O-CG2 3.24Å; L182-V185 WeakPolarHBondContact O-CG2 3.17Å; L182-V185 PolarHBondContact O-N 3.09Å; L182-A186 WeakPolarHBondContact O-CB 3.17Å; L182-A186 PolarHBondContact O-N 3.13Å; L182-L191 HydrophobicContact CB-CD2 4.28Å; L182-L191 HydrophobicContact CD1-CD2 4.14Å; L182-L193 HydrophobicContact CD1-CB 4.14Å; L182-L193 HydrophobicContact CD1-CD1 4.4Å; L182-L193 HydrophobicContact CD1-CD2 3.92Å; L182-L193 HydrophobicContact CD1-CG 4.38Å |
| 183 | G | 92.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -60.8 | -22.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S181 V185 | S181-G183 VanDerWaalsContact C-N 3.26Å; S181-G183 PolarHBondContact O-N 2.83Å; G183-V185 VanDerWaalsContact C-N 3.33Å |
| 184 | A | 89.6 | Confident | 92.7 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -84 | -7.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | S181 L182 | S181-A184 PolarHBondContact O-N 3.17Å; S181-A184 VanDerWaalsContact O-N 3.16Å; L182-A184 PolarHBondContact O-N 3.36Å; L182-A184 VanDerWaalsContact O-N 3.17Å |
| 185 | V | 88.1 | Confident | 92.5 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 5.3 | -177.5 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | H147 L150 L182 G183 R189 L191 | H147-V185 VanDerWaalsContact CE1-CG1 3.44Å; H147-V185 WeakPolarHBondContact CE1-CG1 3.45Å; L150-V185 HydrophobicContact CD1-CB 3.72Å; L150-V185 HydrophobicContact CD1-CG1 4.32Å; L150-V185 HydrophobicContact CD1-CG2 3.6Å; L182-V185 VanDerWaalsContact O-CG2 3.24Å; L182-V185 WeakPolarHBondContact O-CG2 3.17Å; L182-V185 PolarHBondContact O-N 3.09Å; G183-V185 VanDerWaalsContact C-N 3.33Å; V185-R189 WeakPolarHBondContact O-CD 3.39Å; V185-R189 PolarHBondContact O-NE 3.29Å; V185-L191 HydrophobicContact CG2-CD1 4.21Å |
| 186 | A | 79.4 | Confident | 91.9 | Very high | 34 Ų | 34 | 56 Ų | 56 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | trans | -74.9 | -29.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L182 D188 R189 | L182-A186 WeakPolarHBondContact O-CB 3.17Å; L182-A186 PolarHBondContact O-N 3.13Å; A186-D188 PolarHBondContact O-N 3.39Å; A186-R189 WeakPolarHBondContact O-CG 3.49Å; A186-R189 PolarHBondContact O-N 3.19Å; A186-R189 VanDerWaalsContact O-N 3.11Å | ||
| 187 | D | 77.6 | Confident | 91.3 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22.1 | -128.5 | 178.7 | -60.3 | -17.9 | 0 | 0 | 0 | 114.3 | R189 | D187-R189 VanDerWaalsContact C-N 3.34Š|
| 188 | D | 82.1 | Confident | 90.1 | Very high | 174 Ų | 174 | 58.4 Ų | 58.4 | 93% | 0.93 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 5.9 | 172.3 | -65.9 | -36.8 | 0 | 0 | 0 | 112.5 | A186 | A186-D188 PolarHBondContact O-N 3.39Š|
| 189 | R | 91.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -83.1 | 147.9 | -175.7 | 83.4 | 174 | 68.1 | -136.1 | 1 | 111 | L150 D153 S154 V185 A186 D187 L191 | L150-R189 PolarHBondContact O-NH2 3.28Å; D153-R189 PolarHBondContact O-NH1 3.07Å; D153-R189 PolarHBondContact O-NH2 2.58Å; S154-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 WeakPolarHBondContact O-CD 3.39Å; V185-R189 PolarHBondContact O-NE 3.29Å; A186-R189 WeakPolarHBondContact O-CG 3.49Å; A186-R189 PolarHBondContact O-N 3.19Å; A186-R189 VanDerWaalsContact O-N 3.11Å; D187-R189 VanDerWaalsContact C-N 3.34Å; R189-L191 HydrophobicContact CG-CB 4.17Å; R189-L191 PolarHBondContact O-N 3.19Å; R189-L191 VanDerWaalsContact O-N 3.13Å |
| 190 | R | 93.9 | Very high | 86.6 | Confident | 116 Ų | 116 | 57.2 Ų | 57.2 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | trans | -75.2 | 104.4 | 169.4 | -67.2 | -177.9 | -67.3 | 165.7 | 3 | 109.2 | P157 V158 F192 Q218 L219 | P157-R190 CarbonylContact C-O 3.46Å; P157-R190 WeakPolarHBondContact CA-O 3.46Å; P157-R190 HydrophobicContact CB-CB 4.3Å; V158-R190 PolarHBondContact N-O 2.98Å; R190-F192 HydrophobicContact CB-CE2 4.12Å; R190-Q218 PolarHBondContact NH1-O 3.49Å; R190-Q218 VanDerWaalsContact NH1-O 3.07Å; R190-L219 HydrophobicContact CB-CD2 3.79Å; R190-L219 HydrophobicContact CG-CD2 4.46Å; R190-L219 PolarHBondContact NH2-O 2.88Å | ||
| 191 | L | 95.4 | Very high | 85.1 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.5 | 178.9 | -171.2 | 157.4 | 0 | 0 | 0 | 110.5 | V158 L182 V185 R189 | V158-L191 CarbonylContact O-C 3.57Å; V158-L191 WeakPolarHBondContact O-CA 3.44Å; L182-L191 HydrophobicContact CB-CD2 4.28Å; L182-L191 HydrophobicContact CD1-CD2 4.14Å; V185-L191 HydrophobicContact CG2-CD1 4.21Å; R189-L191 HydrophobicContact CG-CB 4.17Å; R189-L191 PolarHBondContact O-N 3.19Å; R189-L191 VanDerWaalsContact O-N 3.13Å |
| 192 | F | 95.3 | Very high | 83.7 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.3 | 176.8 | -62 | -87.7 | 0 | 0 | 0 | 110.6 | V158 V159 V160 R190 L215 L219 | V158-F192 PolarHBondContact O-N 2.9Å; V159-F192 CarbonylContact C-O 3.57Å; V159-F192 WeakPolarHBondContact CA-O 3.43Å; V160-F192 PolarHBondContact N-O 3.38Å; R190-F192 HydrophobicContact CB-CE2 4.12Å; F192-L215 HydrophobicContact CB-CD2 3.98Å; F192-L215 HydrophobicContact CD1-CD1 4.16Å; F192-L215 HydrophobicContact CD2-CD1 4Å; F192-L215 HydrophobicContact CD2-CD2 4.42Å; F192-L215 HydrophobicContact CE1-CD1 4.18Å; F192-L215 HydrophobicContact CE2-CD1 4.02Å; F192-L215 HydrophobicContact CG-CD1 4.07Å; F192-L215 HydrophobicContact CG-CD2 4.08Å; F192-L215 HydrophobicContact CZ-CD1 4.11Å; F192-L219 HydrophobicContact CD2-CD1 4.15Å; F192-L219 HydrophobicContact CD2-CD2 4.25Å; F192-L219 HydrophobicContact CE2-CD1 4.31Å; F192-L219 HydrophobicContact CE2-CD2 3.63Å; F192-L219 HydrophobicContact CE2-CG 4.33Å |
| 193 | L | 95.2 | Very high | 82.3 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.152 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121 | 171.4 | 173.7 | 62.5 | 0 | 0 | 0 | 109 | V160 V173 L176 H177 L182 | V160-L193 HydrophobicContact CB-CD1 3.81Å; V160-L193 HydrophobicContact CG1-CD1 3.62Å; V160-L193 WeakPolarHBondContact O-CA 3.47Å; V173-L193 HydrophobicContact CG1-CD2 3.72Å; V173-L193 HydrophobicContact CG1-CG 4.04Å; V173-L193 VanDerWaalsContact O-CD2 3.29Å; V173-L193 WeakPolarHBondContact O-CD2 3.14Å; L176-L193 HydrophobicContact CB-CD2 4.09Å; H177-L193 HydrophobicContact CB-CD2 3.89Å; L182-L193 HydrophobicContact CD1-CB 4.14Å; L182-L193 HydrophobicContact CD1-CD1 4.4Å; L182-L193 HydrophobicContact CD1-CD2 3.92Å; L182-L193 HydrophobicContact CD1-CG 4.38Å |
| 194 | L | 93.4 | Very high | 81 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.8 | 178 | -56.1 | 177.4 | 0 | 0 | 0 | 110.6 | V159 V160 L161 G162 F212 L215 | V159-L194 HydrophobicContact CG1-CD1 4.06Å; V159-L194 HydrophobicContact CG1-CG 4.43Å; V160-L194 PolarHBondContact O-N 3.18Å; L161-L194 HydrophobicContact CD2-CB 3.85Å; L161-L194 HydrophobicContact CD2-CD1 4.06Å; L161-L194 HydrophobicContact CD2-CG 4.4Å; G162-L194 PolarHBondContact N-O 3.27Å; L194-F212 HydrophobicContact CD1-CD2 4.45Å; L194-L215 HydrophobicContact CD1-CD2 3.72Å; L194-L215 HydrophobicContact CG-CD2 4.38Å |
| 195 | A | 91.1 | Very high | 80 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q165 V173 | Q165-A195 HydrophobicContact CG-CB 3.96Å; V173-A195 HydrophobicContact CG2-CB 3.89Å |
| 196 | A | 86.3 | Confident | 79.1 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | trans | -125.4 | 137.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G162 N163 K164 Q165 | G162-A196 PolarHBondContact O-N 3.32Å; N163-A196 CarbonylContact C-O 3.37Å; N163-A196 VanDerWaalsContact CA-O 3.28Å; N163-A196 WeakPolarHBondContact CA-O 3.12Å; N163-A196 HydrophobicContact CB-CB 4.49Å; N163-A196 PolarHBondContact OD1-O 3.34Å; K164-A196 PolarHBondContact N-O 2.98Å; Q165-A196 WeakPolarHBondContact CG-O 3.18Å; Q165-A196 PolarHBondContact N-O 2.93Å | ||
| 197 | Q | 83.1 | Confident | 78.9 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | trans | -140.9 | 139.3 | 167.6 | 58.4 | -179.2 | 12.6 | 0 | 0 | 109.5 | Q165 G199 | Q165-Q197 HydrophobicContact CB-CB 4.16Å; Q197-G199 PolarHBondContact O-N 3.5Å | ||
| 198 | L | 73 | Confident | 78.8 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | trans | -93 | 86.9 | 167.6 | -126.3 | 71.8 | 0 | 0 | 0 | 106.9 | S68 | S68-L198 WeakPolarHBondContact O-CD2 3.5Š| ||
| 199 | G | 64.1 | Low | 78.6 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 24% | 0.237 | 36% | 0.359 | C | S | . | . | trans | -74.9 | 168.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R81 Q197 D201 V205 | R81-G199 PolarHBondContact NH1-O 3.34Å; Q197-G199 PolarHBondContact O-N 3.5Å; G199-D201 VanDerWaalsContact C-N 3.28Å; G199-V205 WeakPolarHBondContact O-CG2 3.47Å | ||
| 200 | S | 58.3 | Low | 78.2 | Confident | 123 Ų | 123 | 71.4 Ų | 71.4 | 86% | 0.86 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -75.3 | -16.8 | 171.1 | 55 | 0 | 0 | 0 | 0 | 113.5 | D202 | S200-D202 PolarHBondContact O-N 2.87Š|
| 201 | D | 66.2 | Low | 77.7 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | trans | -85.1 | 108 | 177.6 | -172.8 | -16.7 | 0 | 0 | 0 | 110.6 | G199 L203 I204 V205 | G199-D201 VanDerWaalsContact C-N 3.28Å; D201-L203 PolarHBondContact O-N 2.9Å; D201-L203 WeakPolarHBondContact OD1-CB 3.22Å; D201-L203 PolarHBondContact OD1-N 2.63Å; D201-I204 HydrophobicContact CB-CB 4.4Å; D201-I204 HydrophobicContact CB-CD1 4.12Å; D201-I204 HydrophobicContact CB-CG1 4.3Å; D201-I204 PolarHBondContact O-N 2.93Å; D201-I204 WeakPolarHBondContact OD2-CD1 3.49Å; D201-V205 WeakPolarHBondContact O-CG2 3.28Å; D201-V205 PolarHBondContact O-N 3.26Å; D201-V205 VanDerWaalsContact O-N 3.14Å | ||
| 202 | D | 66.6 | Low | 77.3 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 52% | 0.524 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -27.2 | -176.8 | -69.6 | -30 | 0 | 0 | 0 | 113.1 | R81 S200 S206 | R81-D202 IonicContact CZ-OD1 3.39Å; R81-D202 IonicContact NH1-OD1 2.9Å; R81-D202 IonicContact NH2-OD1 2.88Å; R81-D202 PolarHBondContact NH2-OD1 3.17Å; S200-D202 PolarHBondContact O-N 2.87Å; D202-S206 VanDerWaalsContact O-CB 3.29Å; D202-S206 WeakPolarHBondContact O-CB 3.45Å; D202-S206 PolarHBondContact O-N 3.03Å; D202-S206 PolarHBondContact O-OG 2.87Å |
| 203 | L | 65.6 | Low | 76.9 | Confident | 127 Ų | 127 | 65.7 Ų | 65.7 | 67% | 0.665 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74 | -43.9 | -179.9 | -67.4 | 173 | 0 | 0 | 0 | 112 | D201 V205 S206 R207 | D201-L203 PolarHBondContact O-N 2.9Å; D201-L203 WeakPolarHBondContact OD1-CB 3.22Å; D201-L203 PolarHBondContact OD1-N 2.63Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-S206 PolarHBondContact O-N 3.46Å; L203-R207 WeakPolarHBondContact O-CG 3.29Å; L203-R207 PolarHBondContact O-N 3Å |
| 204 | I | 66.3 | Low | 76.5 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 41% | 0.41 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.8 | -64.2 | 175.8 | 0 | 0 | 0 | 109.7 | D201 R207 N208 | D201-I204 HydrophobicContact CB-CB 4.4Å; D201-I204 HydrophobicContact CB-CD1 4.12Å; D201-I204 HydrophobicContact CB-CG1 4.3Å; D201-I204 PolarHBondContact O-N 2.93Å; D201-I204 WeakPolarHBondContact OD2-CD1 3.49Å; I204-R207 PolarHBondContact O-N 3.2Å; I204-N208 WeakPolarHBondContact O-CB 3.42Å; I204-N208 VanDerWaalsContact O-CG 3.3Å; I204-N208 PolarHBondContact O-N 2.86Å; I204-N208 PolarHBondContact O-ND2 2.95Å |
| 205 | V | 67.8 | Low | 76.4 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | G199 D201 L203 R207 N208 L209 | G199-V205 WeakPolarHBondContact O-CG2 3.47Å; D201-V205 WeakPolarHBondContact O-CG2 3.28Å; D201-V205 PolarHBondContact O-N 3.26Å; D201-V205 VanDerWaalsContact O-N 3.14Å; L203-V205 VanDerWaalsContact C-N 3.32Å; V205-R207 VanDerWaalsContact C-N 3.33Å; V205-R207 PolarHBondContact O-N 2.55Å; V205-N208 PolarHBondContact O-N 3.49Å; V205-L209 HydrophobicContact CG1-CD1 3.49Å; V205-L209 VanDerWaalsContact CG1-CD1 3.49Å; V205-L209 HydrophobicContact CG1-CG 4.11Å; V205-L209 WeakPolarHBondContact O-CB 3.45Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.18Å |
| 206 | S | 70 | Confident | 76.4 | Confident | 57 Ų | 57 | 63 Ų | 63 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | D202 L203 L209 Q210 | D202-S206 VanDerWaalsContact O-CB 3.29Å; D202-S206 WeakPolarHBondContact O-CB 3.45Å; D202-S206 PolarHBondContact O-N 3.03Å; D202-S206 PolarHBondContact O-OG 2.87Å; L203-S206 PolarHBondContact O-N 3.46Å; S206-L209 PolarHBondContact O-N 3.44Å; S206-Q210 WeakPolarHBondContact O-CB 3.17Å; S206-Q210 PolarHBondContact O-N 3.18Å |
| 207 | R | 74.6 | Confident | 76.6 | Confident | 195 Ų | 195 | 64.1 Ų | 64.1 | 74% | 0.736 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.7 | -45.4 | 177 | -74.9 | -177.2 | -178.2 | -163.5 | 1.5 | 113 | L203 I204 V205 L209 Q210 A211 | L203-R207 WeakPolarHBondContact O-CG 3.29Å; L203-R207 PolarHBondContact O-N 3Å; I204-R207 PolarHBondContact O-N 3.2Å; V205-R207 VanDerWaalsContact C-N 3.33Å; V205-R207 PolarHBondContact O-N 2.55Å; R207-L209 VanDerWaalsContact C-N 3.29Å; R207-L209 PolarHBondContact O-N 3.26Å; R207-Q210 PolarHBondContact O-N 3.5Å; R207-A211 PolarHBondContact O-N 3.41Å |
| 208 | N | 76.4 | Confident | 76.8 | Confident | 77 Ų | 77 | 67.1 Ų | 67.1 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 179.2 | -71.2 | -18.2 | 0 | 0 | 0 | 111.5 | I204 V205 F212 | I204-N208 WeakPolarHBondContact O-CB 3.42Å; I204-N208 VanDerWaalsContact O-CG 3.3Å; I204-N208 PolarHBondContact O-N 2.86Å; I204-N208 PolarHBondContact O-ND2 2.95Å; V205-N208 PolarHBondContact O-N 3.49Å; N208-F212 WeakPolarHBondContact O-CB 3.23Å; N208-F212 PolarHBondContact O-N 2.7Å |
| 209 | L | 77.8 | Confident | 77.6 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 176.6 | -68.2 | 174 | 0 | 0 | 0 | 112 | G72 L73 V205 S206 R207 F212 Q213 | G72-L209 WeakPolarHBondContact O-CD1 3.25Å; L73-L209 HydrophobicContact CD2-CB 3.89Å; L73-L209 HydrophobicContact CD2-CD2 3.56Å; L73-L209 HydrophobicContact CD2-CG 4.2Å; L73-L209 HydrophobicContact CG-CD2 3.88Å; V205-L209 HydrophobicContact CG1-CD1 3.49Å; V205-L209 VanDerWaalsContact CG1-CD1 3.49Å; V205-L209 HydrophobicContact CG1-CG 4.11Å; V205-L209 WeakPolarHBondContact O-CB 3.45Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.18Å; S206-L209 PolarHBondContact O-N 3.44Å; R207-L209 VanDerWaalsContact C-N 3.29Å; R207-L209 PolarHBondContact O-N 3.26Å; L209-F212 WeakPolarHBondContact O-CB 3.17Å; L209-F212 PolarHBondContact O-N 2.78Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3.02Å |
| 210 | Q | 81.3 | Confident | 78.5 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 173.6 | -173 | 63.5 | 50.6 | 0 | 0 | 111 | S206 R207 F212 Q213 D214 | S206-Q210 WeakPolarHBondContact O-CB 3.17Å; S206-Q210 PolarHBondContact O-N 3.18Å; R207-Q210 PolarHBondContact O-N 3.5Å; Q210-F212 PolarHBondContact O-N 2.84Å; Q210-Q213 PolarHBondContact O-N 3.25Å; Q210-D214 PolarHBondContact NE2-OD1 2.79Å; Q210-D214 PolarHBondContact O-N 3.47Å |
| 211 | A | 84 | Confident | 79.5 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R207 L215 | R207-A211 PolarHBondContact O-N 3.41Å; A211-L215 WeakPolarHBondContact O-CB 3.37Å; A211-L215 PolarHBondContact O-N 3.13Å |
| 212 | F | 87.1 | Confident | 80.2 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 172.5 | 172.2 | -102.2 | 0 | 0 | 0 | 112 | L73 F104 V128 V159 L161 L194 N208 L209 Q210 D214 L215 I216 | L73-F212 HydrophobicContact CD1-CD1 4.23Å; L73-F212 HydrophobicContact CD1-CE1 3.84Å; L73-F212 HydrophobicContact CD2-CD1 3.87Å; L73-F212 HydrophobicContact CD2-CE1 4.32Å; F104-F212 AromaticContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CZ 4.35Å; F104-F212 HydrophobicContact CZ-CE1 4.37Å; V128-F212 HydrophobicContact CG1-CE2 4.11Å; V128-F212 HydrophobicContact CG1-CZ 3.96Å; V128-F212 HydrophobicContact CG2-CE2 4.04Å; V128-F212 HydrophobicContact CG2-CZ 3.73Å; V159-F212 HydrophobicContact CG1-CD2 4.38Å; V159-F212 HydrophobicContact CG1-CE2 4.08Å; L161-F212 HydrophobicContact CD1-CD2 4.25Å; L161-F212 HydrophobicContact CD1-CE2 3.78Å; L161-F212 HydrophobicContact CD1-CZ 4.22Å; L161-F212 HydrophobicContact CD2-CD2 4.01Å; L161-F212 HydrophobicContact CD2-CE2 4.05Å; L161-F212 HydrophobicContact CG-CE2 4.27Å; L194-F212 HydrophobicContact CD1-CD2 4.45Å; N208-F212 WeakPolarHBondContact O-CB 3.23Å; N208-F212 PolarHBondContact O-N 2.7Å; L209-F212 WeakPolarHBondContact O-CB 3.17Å; L209-F212 PolarHBondContact O-N 2.78Å; Q210-F212 PolarHBondContact O-N 2.84Å; F212-D214 PolarHBondContact O-N 3.17Å; F212-L215 PolarHBondContact O-N 3.28Å; F212-I216 HydrophobicContact CD2-CG1 4.45Å; F212-I216 HydrophobicContact CE1-CG1 4.14Å; F212-I216 HydrophobicContact CE2-CD1 4.05Å; F212-I216 HydrophobicContact CE2-CG1 4.05Å; F212-I216 HydrophobicContact CZ-CD1 4.07Å; F212-I216 HydrophobicContact CZ-CG1 3.9Å; F212-I216 VanDerWaalsContact O-CG1 3.32Å; F212-I216 WeakPolarHBondContact O-CG1 3.48Å; F212-I216 PolarHBondContact O-N 3.09Å |
| 213 | Q | 85.9 | Confident | 81 | Confident | 42 Ų | 42 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.4 | -72.7 | 176.7 | 11.3 | 0 | 0 | 111.8 | L73 L209 Q210 L215 I216 L217 | L73-Q213 HydrophobicContact CD2-CG 3.93Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3.02Å; Q210-Q213 PolarHBondContact O-N 3.25Å; Q213-L215 VanDerWaalsContact C-N 3.31Å; Q213-L215 PolarHBondContact O-N 2.8Å; Q213-I216 PolarHBondContact O-N 3.38Å; Q213-I216 VanDerWaalsContact O-N 3.16Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 3.39Å |
| 214 | D | 88.3 | Confident | 81.9 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 178.5 | -63.9 | -18.1 | 0 | 0 | 0 | 111.2 | Q210 F212 L217 Q218 | Q210-D214 PolarHBondContact NE2-OD1 2.79Å; Q210-D214 PolarHBondContact O-N 3.47Å; F212-D214 PolarHBondContact O-N 3.17Å; D214-L217 PolarHBondContact O-N 3.11Å; D214-Q218 WeakPolarHBondContact O-CG 3.18Å; D214-Q218 PolarHBondContact O-N 2.68Å |
| 215 | L | 91.2 | Very high | 82.9 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.4 | 177.8 | 63.3 | 0 | 0 | 0 | 111.8 | V159 F192 L194 A211 F212 Q213 L217 Q218 L219 | V159-L215 HydrophobicContact CG1-CD2 4.11Å; V159-L215 HydrophobicContact CG2-CD2 3.95Å; V159-L215 HydrophobicContact CG2-CG 4.37Å; F192-L215 HydrophobicContact CB-CD2 3.98Å; F192-L215 HydrophobicContact CD1-CD1 4.16Å; F192-L215 HydrophobicContact CD2-CD1 4Å; F192-L215 HydrophobicContact CD2-CD2 4.42Å; F192-L215 HydrophobicContact CE1-CD1 4.18Å; F192-L215 HydrophobicContact CE2-CD1 4.02Å; F192-L215 HydrophobicContact CG-CD1 4.07Å; F192-L215 HydrophobicContact CG-CD2 4.08Å; F192-L215 HydrophobicContact CZ-CD1 4.11Å; L194-L215 HydrophobicContact CD1-CD2 3.72Å; L194-L215 HydrophobicContact CG-CD2 4.38Å; A211-L215 WeakPolarHBondContact O-CB 3.37Å; A211-L215 PolarHBondContact O-N 3.13Å; F212-L215 PolarHBondContact O-N 3.28Å; Q213-L215 VanDerWaalsContact C-N 3.31Å; Q213-L215 PolarHBondContact O-N 2.8Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 2.67Å; L215-Q218 PolarHBondContact O-N 2.7Å; L215-L219 HydrophobicContact CD1-CD1 4.48Å; L215-L219 HydrophobicContact CG-CD1 4.29Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 3.29Å |
| 216 | I | 91.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.8 | -65.3 | -62.8 | 0 | 0 | 0 | 110.4 | V56 L102 V126 V128 V159 F212 Q213 Q218 L219 V220 | V56-I216 HydrophobicContact CG1-CD1 4.44Å; V56-I216 HydrophobicContact CG2-CG2 3.63Å; L102-I216 HydrophobicContact CD1-CG2 4.04Å; L102-I216 HydrophobicContact CD2-CG2 3.94Å; V126-I216 HydrophobicContact CB-CD1 4.43Å; V126-I216 HydrophobicContact CG1-CD1 3.68Å; V128-I216 HydrophobicContact CG2-CD1 3.69Å; V159-I216 HydrophobicContact CG2-CD1 3.9Å; F212-I216 HydrophobicContact CD2-CG1 4.45Å; F212-I216 HydrophobicContact CE1-CG1 4.14Å; F212-I216 HydrophobicContact CE2-CD1 4.05Å; F212-I216 HydrophobicContact CE2-CG1 4.05Å; F212-I216 HydrophobicContact CZ-CD1 4.07Å; F212-I216 HydrophobicContact CZ-CG1 3.9Å; F212-I216 VanDerWaalsContact O-CG1 3.32Å; F212-I216 WeakPolarHBondContact O-CG1 3.48Å; F212-I216 PolarHBondContact O-N 3.09Å; Q213-I216 PolarHBondContact O-N 3.38Å; Q213-I216 VanDerWaalsContact O-N 3.16Å; I216-Q218 VanDerWaalsContact C-N 3.29Å; I216-Q218 PolarHBondContact O-N 3.2Å; I216-L219 WeakPolarHBondContact O-CB 3.37Å; I216-L219 PolarHBondContact O-N 2.98Å; I216-V220 WeakPolarHBondContact O-CG2 3.44Å; I216-V220 PolarHBondContact O-N 3.05Å |
| 217 | L | 89 | Confident | 84.9 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 177.5 | -71.2 | 170.7 | 0 | 0 | 0 | 113.3 | A97 C100 L102 Q213 D214 L215 L219 V220 | A97-L217 HydrophobicContact CB-CD1 3.94Å; A97-L217 HydrophobicContact CB-CD2 3.73Å; A97-L217 HydrophobicContact CB-CG 4.43Å; C100-L217 WeakPolarHBondContact SG-CD2 3.41Å; L102-L217 HydrophobicContact CD1-CD2 3.97Å; L102-L217 HydrophobicContact CD1-CG 4.22Å; L102-L217 HydrophobicContact CD2-CD2 4.08Å; L102-L217 HydrophobicContact CG-CD2 4.12Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 3.39Å; D214-L217 PolarHBondContact O-N 3.11Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 2.67Å; L217-L219 VanDerWaalsContact C-N 3.28Å; L217-V220 WeakPolarHBondContact O-CG2 3.07Å |
| 218 | Q | 89.2 | Confident | 85.7 | Confident | 138 Ų | 138 | 48.8 Ų | 48.8 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -74.3 | -20.3 | 173.5 | -69.8 | 173.9 | 4.1 | 0 | 0 | 113.2 | R190 D214 L215 I216 | R190-Q218 PolarHBondContact NH1-O 3.49Å; R190-Q218 VanDerWaalsContact NH1-O 3.07Å; D214-Q218 WeakPolarHBondContact O-CG 3.18Å; D214-Q218 PolarHBondContact O-N 2.68Å; L215-Q218 PolarHBondContact O-N 2.7Å; I216-Q218 VanDerWaalsContact C-N 3.29Å; I216-Q218 PolarHBondContact O-N 3.2Å |
| 219 | L | 87.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -88.6 | -18.4 | -178 | -72.5 | 174.9 | 0 | 0 | 0 | 113.5 | V126 P157 V159 R190 F192 L215 I216 L217 | V126-L219 HydrophobicContact CG1-CD1 3.95Å; V126-L219 HydrophobicContact CG2-CB 3.55Å; V126-L219 HydrophobicContact CG2-CD1 4.47Å; P157-L219 HydrophobicContact CB-CB 4.21Å; P157-L219 HydrophobicContact CB-CD1 4.28Å; P157-L219 HydrophobicContact CB-CD2 3.79Å; P157-L219 HydrophobicContact CB-CG 4.32Å; V159-L219 HydrophobicContact CG2-CD1 3.48Å; V159-L219 VanDerWaalsContact CG2-CD1 3.48Å; R190-L219 HydrophobicContact CB-CD2 3.79Å; R190-L219 HydrophobicContact CG-CD2 4.46Å; R190-L219 PolarHBondContact NH2-O 2.88Å; F192-L219 HydrophobicContact CD2-CD1 4.15Å; F192-L219 HydrophobicContact CD2-CD2 4.25Å; F192-L219 HydrophobicContact CE2-CD1 4.31Å; F192-L219 HydrophobicContact CE2-CD2 3.63Å; F192-L219 HydrophobicContact CE2-CG 4.33Å; L215-L219 HydrophobicContact CD1-CD1 4.48Å; L215-L219 HydrophobicContact CG-CD1 4.29Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 3.29Å; I216-L219 WeakPolarHBondContact O-CB 3.37Å; I216-L219 PolarHBondContact O-N 2.98Å; L217-L219 VanDerWaalsContact C-N 3.28Å |
| 220 | V | 84.4 | Confident | 87.2 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | trans | -105.4 | 0 | -176.4 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | R54 L102 H125 V126 I216 L217 | R54-V220 HydrophobicContact CB-CB 4.05Å; R54-V220 HydrophobicContact CB-CG1 3.97Å; R54-V220 HydrophobicContact CB-CG2 4.3Å; R54-V220 HydrophobicContact CG-CB 3.7Å; R54-V220 HydrophobicContact CG-CG1 4.19Å; R54-V220 HydrophobicContact CG-CG2 3.9Å; R54-V220 PolarHBondContact NE-O 3.18Å; R54-V220 PolarHBondContact NH2-O 3.3Å; L102-V220 HydrophobicContact CD2-CG2 4.4Å; H125-V220 HydrophobicContact CB-CG1 3.95Å; V126-V220 HydrophobicContact CG2-CG1 3.49Å; V126-V220 VanDerWaalsContact CG2-CG1 3.49Å; I216-V220 WeakPolarHBondContact O-CG2 3.44Å; I216-V220 PolarHBondContact O-N 3.05Å; L217-V220 WeakPolarHBondContact O-CG2 3.07Å |
Retrieved 220 of 220 residues in 663.9 ms
(Link to these results)