| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.3 | Low | 69 | Low | 213 Ų | 213 | 126.7 Ų | 126.7 | 100% | 1.049 | 63% | 0.632 | S | S | * | * | 0 | -38.5 | 0 | -89.7 | 179.3 | -173.3 | 0 | 0 | 114.6 | F3 | M1-F3 PolarHBondContact O-N 3.4Š| |||
| 2 | A | 60.7 | Low | 70.2 | Confident | 82 Ų | 82 | 124.4 Ų | 124.4 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.3 | -35.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K6 | A2-K6 VanDerWaalsContact O-CB 3.26Å; A2-K6 WeakPolarHBondContact O-CB 3.39Å; A2-K6 PolarHBondContact O-N 3.11Å |
| 3 | F | 60.3 | Low | 71.3 | Confident | 157 Ų | 157 | 117.8 Ų | 117.8 | 69% | 0.689 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.8 | -43.1 | 179.4 | -171.2 | -96.7 | 0 | 0 | 0 | 113.1 | M1 K5 K6 Y7 | M1-F3 PolarHBondContact O-N 3.4Å; F3-K5 PolarHBondContact O-N 3.26Å; F3-K6 PolarHBondContact O-N 3.35Å; F3-Y7 AromaticContact CD2-CD2 3.58Å; F3-Y7 HydrophobicContact CD2-CD2 3.58Å; F3-Y7 AromaticContact CD2-CE2 3.86Å; F3-Y7 HydrophobicContact CD2-CE2 3.86Å; F3-Y7 AromaticContact CE2-CD2 3.66Å; F3-Y7 HydrophobicContact CE2-CD2 3.66Å; F3-Y7 AromaticContact CE2-CE2 4Å; F3-Y7 HydrophobicContact CE2-CE2 4Å; F3-Y7 HydrophobicContact CG-CD2 4.18Å; F3-Y7 HydrophobicContact CZ-CD2 4.31Å; F3-Y7 PolarHBondContact O-N 3.14Å; F3-Y7 VanDerWaalsContact O-N 3.12Å |
| 4 | M | 57.3 | Low | 72.2 | Confident | 125 Ų | 125 | 118.3 Ų | 118.3 | 62% | 0.616 | 61% | 0.608 | S | S | * | * | I | π-helix | trans | -58.9 | -47.7 | 175.5 | -94.7 | 172.8 | 62.4 | 0 | 0 | 111.9 | L8 | M4-L8 HydrophobicContact CG-CD2 4.4Å; M4-L8 WeakPolarHBondContact O-CA 3.44Å; M4-L8 WeakPolarHBondContact O-CB 3.42Å; M4-L8 PolarHBondContact O-N 3.47Å; M4-L8 VanDerWaalsContact O-N 3.09Å |
| 5 | K | 56.9 | Low | 72.6 | Confident | 165 Ų | 165 | 119.3 Ų | 119.3 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | I | π-helix | trans | -71.5 | -34.9 | -179.5 | -82.6 | -174.4 | 174.6 | -177.7 | 0 | 113.2 | F3 L9 | F3-K5 PolarHBondContact O-N 3.26Å; K5-L9 HydrophobicContact CG-CD1 4.29Å |
| 6 | K | 69.6 | Low | 72.7 | Confident | 149 Ų | 149 | 119.8 Ų | 119.8 | 65% | 0.648 | 61% | 0.608 | S | S | * | * | I | π-helix | trans | -80.7 | -27.6 | -172.2 | -153.9 | 175.7 | -172.6 | -176.3 | 0 | 113.8 | A2 F3 P10 | A2-K6 VanDerWaalsContact O-CB 3.26Å; A2-K6 WeakPolarHBondContact O-CB 3.39Å; A2-K6 PolarHBondContact O-N 3.11Å; F3-K6 PolarHBondContact O-N 3.35Å; K6-P10 WeakPolarHBondContact O-CG 3.39Å |
| 7 | Y | 77.8 | Confident | 72.7 | Confident | 117 Ų | 117 | 115.2 Ų | 115.2 | 46% | 0.459 | 59% | 0.593 | S | S | . | * | I | π-helix | trans | -124.5 | -35.2 | -175.9 | -57.7 | -70.9 | 0 | 0 | 0 | 114.1 | F3 P10 I11 | F3-Y7 AromaticContact CD2-CD2 3.58Å; F3-Y7 HydrophobicContact CD2-CD2 3.58Å; F3-Y7 AromaticContact CD2-CE2 3.86Å; F3-Y7 HydrophobicContact CD2-CE2 3.86Å; F3-Y7 AromaticContact CE2-CD2 3.66Å; F3-Y7 HydrophobicContact CE2-CD2 3.66Å; F3-Y7 AromaticContact CE2-CE2 4Å; F3-Y7 HydrophobicContact CE2-CE2 4Å; F3-Y7 HydrophobicContact CG-CD2 4.18Å; F3-Y7 HydrophobicContact CZ-CD2 4.31Å; F3-Y7 PolarHBondContact O-N 3.14Å; F3-Y7 VanDerWaalsContact O-N 3.12Å; Y7-P10 WeakPolarHBondContact O-CD 3.09Å; Y7-I11 VanDerWaalsContact O-CB 3.3Å; Y7-I11 WeakPolarHBondContact O-CB 3.46Å; Y7-I11 VanDerWaalsContact O-CD1 3.29Å; Y7-I11 WeakPolarHBondContact O-CD1 3.47Å; Y7-I11 WeakPolarHBondContact O-CG1 3.32Å; Y7-I11 PolarHBondContact O-N 2.95Å |
| 8 | L | 76.4 | Confident | 72.7 | Confident | 103 Ų | 103 | 117.8 Ų | 117.8 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | I | π-helix | trans | -68 | -41.3 | -178.8 | -159.5 | 82.1 | 0 | 0 | 0 | 111.9 | M4 I11 L12 | M4-L8 HydrophobicContact CG-CD2 4.4Å; M4-L8 WeakPolarHBondContact O-CA 3.44Å; M4-L8 WeakPolarHBondContact O-CB 3.42Å; M4-L8 PolarHBondContact O-N 3.47Å; M4-L8 VanDerWaalsContact O-N 3.09Å; L8-I11 PolarHBondContact O-N 3.36Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 2.79Å |
| 9 | L | 76.7 | Confident | 72.2 | Confident | 109 Ų | 109 | 119.6 Ų | 119.6 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -46.4 | 179.3 | -91 | 158.8 | 0 | 0 | 0 | 112.9 | K5 L12 G13 | K5-L9 HydrophobicContact CG-CD1 4.29Å; L9-L12 PolarHBondContact O-N 3.18Å; L9-G13 PolarHBondContact O-N 3.46Å |
| 10 | P | 81.6 | Confident | 71.7 | Confident | 67 Ų | 67 | 122 Ų | 122 | 44% | 0.435 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -39.2 | 172.7 | -23.4 | 32.3 | 0 | 0 | 0 | 113.6 | K6 Y7 G13 L14 | K6-P10 WeakPolarHBondContact O-CG 3.39Å; Y7-P10 WeakPolarHBondContact O-CD 3.09Å; P10-G13 PolarHBondContact O-N 3.13Å; P10-L14 WeakPolarHBondContact O-CB 3.3Å; P10-L14 WeakPolarHBondContact O-CG 3.26Å; P10-L14 PolarHBondContact O-N 2.77Å |
| 11 | I | 85.1 | Confident | 71 | Confident | 107 Ų | 107 | 125.5 Ų | 125.5 | 55% | 0.549 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.5 | -42.9 | 177 | -69.5 | 167 | 0 | 0 | 0 | 110.4 | Y7 L8 G13 L14 F15 | Y7-I11 VanDerWaalsContact O-CB 3.3Å; Y7-I11 WeakPolarHBondContact O-CB 3.46Å; Y7-I11 VanDerWaalsContact O-CD1 3.29Å; Y7-I11 WeakPolarHBondContact O-CD1 3.47Å; Y7-I11 WeakPolarHBondContact O-CG1 3.32Å; Y7-I11 PolarHBondContact O-N 2.95Å; L8-I11 PolarHBondContact O-N 3.36Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-L14 PolarHBondContact O-N 2.85Å; I11-F15 WeakPolarHBondContact O-CB 3.2Å; I11-F15 PolarHBondContact O-N 3.02Å |
| 12 | L | 83.5 | Confident | 70.7 | Confident | 99 Ų | 99 | 118.4 Ų | 118.4 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -38.4 | 174.1 | -167.6 | 76.7 | 0 | 0 | 0 | 110.9 | L8 L9 F15 M16 | L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 2.79Å; L9-L12 PolarHBondContact O-N 3.18Å; L12-F15 PolarHBondContact O-N 3.48Å; L12-M16 VanDerWaalsContact O-CB 3.23Å; L12-M16 WeakPolarHBondContact O-CB 3.37Å; L12-M16 WeakPolarHBondContact O-CG 3.44Å; L12-M16 PolarHBondContact O-N 2.93Å |
| 13 | G | 85.1 | Confident | 70.3 | Confident | 38 Ų | 38 | 117.1 Ų | 117.1 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L9 P10 I11 M16 A17 | L9-G13 PolarHBondContact O-N 3.46Å; P10-G13 PolarHBondContact O-N 3.13Å; I11-G13 VanDerWaalsContact C-N 3.32Å; G13-M16 PolarHBondContact O-N 3.47Å; G13-A17 WeakPolarHBondContact O-CB 3.5Å; G13-A17 PolarHBondContact O-N 3.37Å |
| 14 | L | 83.9 | Confident | 70.1 | Confident | 125 Ų | 125 | 117 Ų | 117 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.9 | -36.3 | 174.4 | -76.7 | 168.8 | 0 | 0 | 0 | 111.8 | P10 I11 A17 Y18 | P10-L14 WeakPolarHBondContact O-CB 3.3Å; P10-L14 WeakPolarHBondContact O-CG 3.26Å; P10-L14 PolarHBondContact O-N 2.77Å; I11-L14 PolarHBondContact O-N 2.85Å; L14-A17 PolarHBondContact O-N 3.25Å; L14-Y18 WeakPolarHBondContact O-CB 3.49Å; L14-Y18 PolarHBondContact O-N 2.96Å |
| 15 | F | 78.3 | Confident | 70.6 | Confident | 134 Ų | 134 | 117.7 Ų | 117.7 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.5 | -41 | 174.1 | -169.9 | -93.3 | 0 | 0 | 0 | 111.1 | I11 L12 Y18 Y19 | I11-F15 WeakPolarHBondContact O-CB 3.2Å; I11-F15 PolarHBondContact O-N 3.02Å; L12-F15 PolarHBondContact O-N 3.48Å; F15-Y18 PolarHBondContact O-N 3.04Å; F15-Y19 WeakPolarHBondContact O-CB 3.49Å; F15-Y19 PolarHBondContact O-N 3.38Å |
| 16 | M | 74.4 | Confident | 72 | Confident | 127 Ų | 127 | 117.6 Ų | 117.6 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.6 | -41.3 | 172.5 | -74.5 | -120.1 | -69.4 | 0 | 0 | 111.4 | L12 G13 Y19 Y20 | L12-M16 VanDerWaalsContact O-CB 3.23Å; L12-M16 WeakPolarHBondContact O-CB 3.37Å; L12-M16 WeakPolarHBondContact O-CG 3.44Å; L12-M16 PolarHBondContact O-N 2.93Å; G13-M16 PolarHBondContact O-N 3.47Å; M16-Y19 PolarHBondContact O-N 3.31Å; M16-Y20 WeakPolarHBondContact O-CB 3.31Å; M16-Y20 PolarHBondContact O-N 3.05Å |
| 17 | A | 72.2 | Confident | 73.2 | Confident | 42 Ų | 42 | 112.3 Ų | 112.3 | 35% | 0.347 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G13 L14 Y20 Y21 | G13-A17 WeakPolarHBondContact O-CB 3.5Å; G13-A17 PolarHBondContact O-N 3.37Å; L14-A17 PolarHBondContact O-N 3.25Å; A17-Y20 PolarHBondContact O-N 3.37Å; A17-Y21 VanDerWaalsContact O-CB 3.3Å; A17-Y21 WeakPolarHBondContact O-CB 3.5Å; A17-Y21 VanDerWaalsContact O-CD2 3.31Å; A17-Y21 WeakPolarHBondContact O-CD2 3.19Å; A17-Y21 PolarHBondContact O-N 3.19Å |
| 18 | Y | 72.1 | Confident | 74.1 | Confident | 161 Ų | 161 | 114.3 Ų | 114.3 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -41.5 | 174.8 | 178.6 | -98.1 | 0 | 0 | 0 | 111.4 | L14 F15 Y20 Y21 S22 | L14-Y18 WeakPolarHBondContact O-CB 3.49Å; L14-Y18 PolarHBondContact O-N 2.96Å; F15-Y18 PolarHBondContact O-N 3.04Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y18-Y21 PolarHBondContact O-N 2.87Å; Y18-S22 VanDerWaalsContact CE1-OG 3.23Å; Y18-S22 WeakPolarHBondContact CE1-OG 3.5Å; Y18-S22 WeakPolarHBondContact O-CA 3.26Å; Y18-S22 WeakPolarHBondContact O-CB 3.31Å; Y18-S22 PolarHBondContact O-N 3.39Å; Y18-S22 PolarHBondContact O-OG 3.25Å |
| 19 | Y | 64.5 | Low | 75 | Confident | 152 Ų | 152 | 112.4 Ų | 112.4 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 173.9 | -175.2 | -98.5 | 0 | 0 | 0 | 111.3 | F15 M16 A23 | F15-Y19 WeakPolarHBondContact O-CB 3.49Å; F15-Y19 PolarHBondContact O-N 3.38Å; M16-Y19 PolarHBondContact O-N 3.31Å; Y19-A23 WeakPolarHBondContact O-CB 3.2Å; Y19-A23 PolarHBondContact O-N 3.03Å |
| 20 | Y | 60.5 | Low | 75.9 | Confident | 168 Ų | 168 | 113 Ų | 113 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.9 | -38.4 | 178.1 | -165.1 | -95.1 | 0 | 0 | 0 | 112.5 | M16 A17 Y18 | M16-Y20 WeakPolarHBondContact O-CB 3.31Å; M16-Y20 PolarHBondContact O-N 3.05Å; A17-Y20 PolarHBondContact O-N 3.37Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å |
| 21 | Y | 57.8 | Low | 76.7 | Confident | 195 Ų | 195 | 112.2 Ų | 112.2 | 77% | 0.765 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -95 | -23.3 | -175.9 | -82.4 | -81.6 | 0 | 0 | 0 | 115 | A17 Y18 | A17-Y21 VanDerWaalsContact O-CB 3.3Å; A17-Y21 WeakPolarHBondContact O-CB 3.5Å; A17-Y21 VanDerWaalsContact O-CD2 3.31Å; A17-Y21 WeakPolarHBondContact O-CD2 3.19Å; A17-Y21 PolarHBondContact O-N 3.19Å; Y18-Y21 PolarHBondContact O-N 2.87Å |
| 22 | S | 51.1 | Low | 77.3 | Confident | 65 Ų | 65 | 107.3 Ų | 107.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -99.8 | -11.8 | -178.9 | 79.1 | 0 | 0 | 0 | 0 | 114.3 | Y18 | Y18-S22 VanDerWaalsContact CE1-OG 3.23Å; Y18-S22 WeakPolarHBondContact CE1-OG 3.5Å; Y18-S22 WeakPolarHBondContact O-CA 3.26Å; Y18-S22 WeakPolarHBondContact O-CB 3.31Å; Y18-S22 PolarHBondContact O-N 3.39Å; Y18-S22 PolarHBondContact O-OG 3.25Å |
| 23 | A | 52.1 | Low | 78 | Confident | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -108.5 | -1.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y19 | Y19-A23 WeakPolarHBondContact O-CB 3.2Å; Y19-A23 PolarHBondContact O-N 3.03Å |
| 24 | Y | 55.9 | Low | 78.7 | Confident | 153 Ų | 153 | 108.8 Ų | 108.8 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | trans | -107.8 | 107.5 | 175.1 | -79.7 | -85.6 | 0 | 0 | 0 | 110 | E26 | Y24-E26 PolarHBondContact O-N 3.2Å; Y24-E26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | E | 66.3 | Low | 79.4 | Confident | 140 Ų | 140 | 106.5 Ų | 106.5 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 116.1 | 156.7 | -78.9 | -164.6 | 159.5 | 0 | 0 | 107.4 | L251 | E25-L251 HydrophobicContact CB-CD2 3.98Å; E25-L251 WeakPolarHBondContact O-CD2 3.41Å |
| 26 | E | 87.1 | Confident | 80.4 | Confident | 163 Ų | 163 | 102.9 Ų | 102.9 | 76% | 0.762 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 138.5 | 171.7 | -71.7 | -175.2 | 169.1 | 0 | 0 | 109.4 | Y24 R28 | Y24-E26 PolarHBondContact O-N 3.2Å; Y24-E26 VanDerWaalsContact O-N 3.12Å; E26-R28 PolarHBondContact O-N 3.18Å |
| 27 | F | 94.9 | Very high | 81.5 | Confident | 39 Ų | 39 | 96.8 Ų | 96.8 | 17% | 0.171 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -63 | 131.6 | 176.6 | 173.2 | -96.6 | 0 | 0 | 0 | 110.8 | P29 L32 M57 L243 I246 K247 A250 L251 | F27-P29 HydrophobicContact CE1-CG 4.17Å; F27-L32 HydrophobicContact CE2-CD2 3.59Å; F27-L32 HydrophobicContact CZ-CD2 4.09Å; F27-M57 HydrophobicContact CE1-CE 4.17Å; F27-M57 HydrophobicContact CZ-CE 3.72Å; F27-M57 HydrophobicContact CZ-SD 3.99Å; F27-L243 HydrophobicContact CE1-CD1 4.4Å; F27-I246 HydrophobicContact CE2-CG2 4.43Å; F27-K247 HydrophobicContact CB-CB 4.38Å; F27-K247 HydrophobicContact CB-CD 4.23Å; F27-K247 HydrophobicContact CB-CG 3.99Å; F27-K247 HydrophobicContact CD1-CD 4.14Å; F27-K247 HydrophobicContact CD1-CG 3.73Å; F27-K247 HydrophobicContact CD2-CB 4.01Å; F27-K247 HydrophobicContact CD2-CG 3.67Å; F27-K247 HydrophobicContact CE1-CG 4.04Å; F27-K247 HydrophobicContact CE2-CB 4.47Å; F27-K247 HydrophobicContact CE2-CG 3.96Å; F27-K247 HydrophobicContact CG-CB 4.18Å; F27-K247 HydrophobicContact CG-CD 4.13Å; F27-K247 HydrophobicContact CG-CG 3.51Å; F27-K247 HydrophobicContact CZ-CG 4.15Å; F27-A250 HydrophobicContact CD2-CB 4.23Å; F27-A250 HydrophobicContact CE2-CB 4.12Å; F27-L251 HydrophobicContact CB-CD1 4.14Å; F27-L251 HydrophobicContact CB-CG 4.39Å |
| 28 | R | 95.6 | Very high | 82.8 | Confident | 158 Ų | 158 | 94.8 Ų | 94.8 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | trans | -125.7 | 129 | 173.1 | -73.1 | -171.4 | -59.2 | -133.4 | -5 | 109.1 | E26 E30 M31 | E26-R28 PolarHBondContact O-N 3.18Å; R28-E30 VanDerWaalsContact CB-OE2 3.32Å; R28-E30 WeakPolarHBondContact CB-OE2 3.4Å; R28-E30 PolarHBondContact O-N 3.04Å; R28-M31 HydrophobicContact CB-CG 4.21Å; R28-M31 VanDerWaalsContact O-CB 3.25Å; R28-M31 WeakPolarHBondContact O-CB 3.33Å; R28-M31 VanDerWaalsContact O-CG 3.22Å; R28-M31 WeakPolarHBondContact O-CG 3.48Å; R28-M31 PolarHBondContact O-N 2.91Å | ||
| 29 | P | 95.6 | Very high | 84.1 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -50.5 | -32.2 | 178.9 | -29.7 | 37.1 | 0 | 0 | 0 | 114.1 | F27 M31 L32 M57 | F27-P29 HydrophobicContact CE1-CG 4.17Å; P29-M31 PolarHBondContact O-N 3.2Å; P29-M31 VanDerWaalsContact O-N 3.16Å; P29-L32 PolarHBondContact O-N 3.27Å; P29-M57 HydrophobicContact CB-CG 4.14Å |
| 30 | E | 96.3 | Very high | 85.7 | Confident | 123 Ų | 123 | 79.9 Ų | 79.9 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.8 | 178.9 | -58.7 | 74.8 | -163.1 | 0 | 0 | 112.8 | R28 L32 Q33 | R28-E30 VanDerWaalsContact CB-OE2 3.32Å; R28-E30 WeakPolarHBondContact CB-OE2 3.4Å; R28-E30 PolarHBondContact O-N 3.04Å; E30-L32 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact O-N 2.91Å |
| 31 | M | 97.9 | Very high | 87.5 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60.5 | -23.9 | 173.5 | -64 | 177.8 | 83.2 | 0 | 0 | 112.4 | R28 P29 K35 L251 | R28-M31 HydrophobicContact CB-CG 4.21Å; R28-M31 VanDerWaalsContact O-CB 3.25Å; R28-M31 WeakPolarHBondContact O-CB 3.33Å; R28-M31 VanDerWaalsContact O-CG 3.22Å; R28-M31 WeakPolarHBondContact O-CG 3.48Å; R28-M31 PolarHBondContact O-N 2.91Å; P29-M31 PolarHBondContact O-N 3.2Å; P29-M31 VanDerWaalsContact O-N 3.16Å; M31-K35 VanDerWaalsContact O-CG 3.29Å; M31-K35 WeakPolarHBondContact O-CG 3.33Å; M31-L251 HydrophobicContact CE-CD2 4.12Å; M31-L251 HydrophobicContact SD-CD2 4.22Å |
| 32 | L | 98.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -103 | -7.1 | -178.4 | -74.8 | -56.4 | 0 | 0 | 0 | 113.1 | F27 P29 E30 G34 K35 L54 M57 M115 I246 A250 | F27-L32 HydrophobicContact CE2-CD2 3.59Å; F27-L32 HydrophobicContact CZ-CD2 4.09Å; P29-L32 PolarHBondContact O-N 3.27Å; E30-L32 PolarHBondContact O-N 3.24Å; L32-G34 PolarHBondContact O-N 3.35Å; L32-K35 HydrophobicContact CD1-CB 4.4Å; L32-K35 HydrophobicContact CD1-CG 4.4Å; L32-K35 VanDerWaalsContact O-CB 3.31Å; L32-K35 WeakPolarHBondContact O-CB 3.36Å; L32-K35 PolarHBondContact O-N 3.45Å; L32-L54 HydrophobicContact CD1-CD2 4.04Å; L32-L54 HydrophobicContact CG-CD2 4.14Å; L32-M57 HydrophobicContact CB-CB 3.87Å; L32-M57 HydrophobicContact CB-CG 4.46Å; L32-M57 HydrophobicContact CB-SD 3.94Å; L32-M57 HydrophobicContact CD2-SD 4.32Å; L32-M57 HydrophobicContact CG-SD 3.97Å; L32-M115 HydrophobicContact CD1-CE 4.16Å; L32-I246 HydrophobicContact CD2-CG2 4.25Å; L32-I246 HydrophobicContact CG-CG2 4.12Å; L32-A250 HydrophobicContact CD2-CB 3.66Å |
| 33 | Q | 98.7 | Very high | 91.8 | Very high | 134 Ų | 134 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 126.2 | 179.6 | -169.1 | 178.1 | 0.8 | 0 | 0 | 110.6 | E30 K35 M57 | E30-Q33 PolarHBondContact O-N 2.91Å; Q33-K35 PolarHBondContact O-N 3.29Å; Q33-M57 WeakPolarHBondContact CA-O 3.48Å; Q33-M57 PolarHBondContact N-O 3.47Å |
| 34 | G | 98.6 | Very high | 94 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L32 G58 H60 | L32-G34 PolarHBondContact O-N 3.35Å; G34-G58 PolarHBondContact N-O 2.94Å; G34-H60 PolarHBondContact O-CD2 3.04Å |
| 35 | K | 98.9 | Very high | 96 | Very high | 77 Ų | 77 | 57 Ų | 57 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | trans | -73.4 | 144.7 | 176.1 | -67.1 | -57.5 | -167.7 | 176.5 | 0 | 111.5 | M31 L32 Q33 V37 A59 H60 D114 | M31-K35 VanDerWaalsContact O-CG 3.29Å; M31-K35 WeakPolarHBondContact O-CG 3.33Å; L32-K35 HydrophobicContact CD1-CB 4.4Å; L32-K35 HydrophobicContact CD1-CG 4.4Å; L32-K35 VanDerWaalsContact O-CB 3.31Å; L32-K35 WeakPolarHBondContact O-CB 3.36Å; L32-K35 PolarHBondContact O-N 3.45Å; Q33-K35 PolarHBondContact O-N 3.29Å; K35-V37 HydrophobicContact CB-CG2 4.2Å; K35-A59 WeakPolarHBondContact O-CA 3.46Å; K35-A59 WeakPolarHBondContact O-CB 3.46Å; K35-H60 PolarHBondContact O-N 3.38Å; K35-D114 HydrophobicContact CB-CB 4.23Å; K35-D114 HydrophobicContact CD-CB 3.86Å; K35-D114 IonicContact NZ-OD1 2.66Å; K35-D114 PolarHBondContact NZ-OD1 2.94Å; K35-D114 VanDerWaalsContact NZ-OD1 3.1Å | ||
| 36 | K | 98.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 109.5 | -177.5 | -58.1 | 166.1 | -174.1 | 173.7 | 0 | 109.3 | H60 M110 G111 D114 M115 | K36-H60 HydrophobicContact CG-CB 4.4Å; K36-M110 HydrophobicContact CB-CB 4.01Å; K36-M110 HydrophobicContact CB-CE 4.13Å; K36-M110 HydrophobicContact CB-SD 3.84Å; K36-M110 HydrophobicContact CD-CB 4.15Å; K36-M110 VanDerWaalsContact CD-O 3.28Å; K36-M110 WeakPolarHBondContact CD-O 3.44Å; K36-M110 WeakPolarHBondContact CE-O 3.43Å; K36-M110 HydrophobicContact CG-CB 3.96Å; K36-M110 PolarHBondContact NZ-O 3.35Å; K36-G111 PolarHBondContact NZ-O 3.24Å; K36-D114 WeakPolarHBondContact CB-OD2 3.4Å; K36-D114 PolarHBondContact N-OD2 2.88Å; K36-D114 PolarHBondContact O-N 2.94Å; K36-M115 PolarHBondContact O-N 3.09Å; K36-M115 VanDerWaalsContact O-N 3.1Å |
| 37 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.9 | -167.7 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | K35 V39 L54 A59 H60 V61 V62 M115 I117 | K35-V37 HydrophobicContact CB-CG2 4.2Å; V37-V39 HydrophobicContact CG1-CG2 4.21Å; V37-L54 HydrophobicContact CB-CD1 4.06Å; V37-L54 HydrophobicContact CG1-CD1 3.54Å; V37-L54 HydrophobicContact CG1-CD2 4.38Å; V37-L54 HydrophobicContact CG2-CD2 4.13Å; V37-A59 HydrophobicContact CG2-CB 4.41Å; V37-H60 PolarHBondContact N-O 2.98Å; V37-V61 WeakPolarHBondContact O-CA 3.31Å; V37-V62 PolarHBondContact O-N 3.16Å; V37-M115 WeakPolarHBondContact CA-O 3.38Å; V37-M115 HydrophobicContact CB-CB 4.48Å; V37-M115 HydrophobicContact CG1-CB 4Å; V37-M115 HydrophobicContact CG1-CG 4.3Å; V37-M115 HydrophobicContact CG1-SD 4.5Å; V37-M115 HydrophobicContact CG2-CB 4.06Å; V37-I117 HydrophobicContact CG1-CD1 3.94Å; V37-I117 HydrophobicContact CG1-CG1 4.05Å |
| 38 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.3 | 168 | -75.7 | 170.1 | 0 | 0 | 0 | 109.2 | T40 V62 F102 V103 A106 M110 L113 M115 L116 I117 | I38-T40 HydrophobicContact CG2-CG2 4.21Å; I38-V62 WeakPolarHBondContact CA-O 3.21Å; I38-V62 HydrophobicContact CG1-CB 4.33Å; I38-F102 HydrophobicContact CD1-CE1 4.42Å; I38-F102 HydrophobicContact CD1-CZ 4.49Å; I38-F102 HydrophobicContact CG1-CZ 4.41Å; I38-F102 HydrophobicContact CG2-CE1 3.6Å; I38-F102 HydrophobicContact CG2-CZ 3.64Å; I38-V103 HydrophobicContact CD1-CG1 4.47Å; I38-A106 HydrophobicContact CD1-CB 3.55Å; I38-A106 HydrophobicContact CG1-CB 3.88Å; I38-M110 HydrophobicContact CG1-CE 3.97Å; I38-L113 HydrophobicContact CB-CD1 4.12Å; I38-L113 HydrophobicContact CD1-CD1 3.65Å; I38-L113 HydrophobicContact CD1-CD2 3.98Å; I38-L113 HydrophobicContact CD1-CG 4.48Å; I38-L113 HydrophobicContact CG1-CD1 3.63Å; I38-M115 PolarHBondContact N-O 3.45Å; I38-L116 HydrophobicContact CB-CD1 3.89Å; I38-L116 HydrophobicContact CD1-CD1 4.31Å; I38-L116 HydrophobicContact CG2-CD1 3.6Å; I38-I117 WeakPolarHBondContact O-CB 3.3Å; I38-I117 PolarHBondContact O-N 3.37Å |
| 39 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.8 | 170.3 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | V37 A42 M50 L54 V62 V63 T64 I117 | V37-V39 HydrophobicContact CG1-CG2 4.21Å; V39-A42 HydrophobicContact CB-CB 4.12Å; V39-A42 HydrophobicContact CG1-CB 3.98Å; V39-A42 WeakPolarHBondContact O-CB 3.44Å; V39-M50 HydrophobicContact CG1-CB 4.33Å; V39-M50 HydrophobicContact CG1-CE 3.95Å; V39-L54 HydrophobicContact CG2-CD1 3.67Å; V39-V62 PolarHBondContact N-O 2.94Å; V39-V63 HydrophobicContact CB-CG1 4.44Å; V39-V63 WeakPolarHBondContact O-CA 3.46Å; V39-T64 PolarHBondContact O-N 3.21Å; V39-T64 VanDerWaalsContact O-N 3.09Å; V39-I117 HydrophobicContact CG1-CB 4.41Å; V39-I117 HydrophobicContact CG1-CG2 4.4Å; V39-I117 HydrophobicContact CG2-CB 4.45Å; V39-I117 HydrophobicContact CG2-CD1 4.22Å |
| 40 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 148.6 | 177.2 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | I38 A42 T64 M93 F102 I117 L118 N119 H120 L150 | I38-T40 HydrophobicContact CG2-CG2 4.21Å; T40-A42 VanDerWaalsContact C-N 3.29Å; T40-A42 PolarHBondContact O-N 3.22Å; T40-T64 HydrophobicContact CG2-CG2 3.72Å; T40-M93 HydrophobicContact CG2-CE 3.92Å; T40-F102 HydrophobicContact CG2-CE1 4.24Å; T40-I117 PolarHBondContact N-O 3.04Å; T40-I117 PolarHBondContact OG1-O 2.89Å; T40-L118 HydrophobicContact CG2-CD2 4.38Å; T40-L118 WeakPolarHBondContact OG1-CA 3.18Å; T40-N119 WeakPolarHBondContact O-CB 3.29Å; T40-N119 PolarHBondContact O-ND2 3.03Å; T40-N119 PolarHBondContact OG1-N 3.33Å; T40-H120 WeakPolarHBondContact CB-ND1 3.45Å; T40-H120 PolarHBondContact OG1-N 3.47Å; T40-H120 PolarHBondContact OG1-ND1 3.04Å; T40-L150 HydrophobicContact CG2-CD1 4.13Å |
| 41 | G | 98.6 | Very high | 98.7 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 67.3 | 33.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T64 N119 | G41-T64 PolarHBondContact N-O 2.89Å; G41-N119 PolarHBondContact O-ND2 3.29Å |
| 42 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115 | V39 T40 K44 R48 V63 T64 | V39-A42 HydrophobicContact CB-CB 4.12Å; V39-A42 HydrophobicContact CG1-CB 3.98Å; V39-A42 WeakPolarHBondContact O-CB 3.44Å; T40-A42 VanDerWaalsContact C-N 3.29Å; T40-A42 PolarHBondContact O-N 3.22Å; A42-K44 VanDerWaalsContact C-N 3.31Å; A42-K44 PolarHBondContact O-N 3.19Å; A42-R48 WeakPolarHBondContact O-CA 3.26Å; A42-R48 WeakPolarHBondContact O-CB 3.48Å; A42-V63 HydrophobicContact CB-CB 3.71Å; A42-V63 HydrophobicContact CB-CG1 3.71Å; A42-T64 PolarHBondContact N-O 3.18Å; A42-T64 VanDerWaalsContact N-O 3.15Å |
| 43 | S | 98.6 | Very high | 98.8 | Very high | 24 Ų | 24 | 30 Ų | 30 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.8 | 178.7 | 49.1 | 0 | 0 | 0 | 0 | 114 | A65 T70 | S43-A65 VanDerWaalsContact OG-CB 3.31Å; S43-A65 WeakPolarHBondContact OG-CB 3.39Å; S43-T70 VanDerWaalsContact CB-OG1 3.29Å; S43-T70 WeakPolarHBondContact CB-OG1 3.01Å |
| 44 | K | 98.5 | Very high | 98.8 | Very high | 100 Ų | 100 | 23.7 Ų | 23.7 | 44% | 0.435 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -160.1 | 171.7 | -177.1 | 60.4 | 173.8 | 179.1 | 167 | 0 | 111.8 | A42 R48 T222 | A42-K44 VanDerWaalsContact C-N 3.31Å; A42-K44 PolarHBondContact O-N 3.19Å; K44-R48 PolarHBondContact O-N 2.86Å; K44-T222 PolarHBondContact NZ-OG1 2.89Å |
| 45 | G | 98.5 | Very high | 98.8 | Very high | 12 Ų | 12 | 22 Ų | 22 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | 59.4 | -148.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G47 R48 E49 | G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 2.93Å; G45-R48 WeakPolarHBondContact O-CB 3.38Å; G45-R48 PolarHBondContact O-N 2.92Å; G45-E49 PolarHBondContact O-N 3.14Å; G45-E49 VanDerWaalsContact O-N 3.17Å |
| 46 | I | 98.8 | Very high | 98.8 | Very high | 21 Ų | 21 | 24.5 Ų | 24.5 | 11% | 0.108 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.7 | -40.2 | -176.2 | -57.8 | 162 | 0 | 0 | 0 | 111.7 | R48 E49 M50 L215 I218 T220 K238 A242 I245 | I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 2.83Å; I46-E49 PolarHBondContact O-N 2.85Å; I46-M50 HydrophobicContact CG2-CE 4.09Å; I46-M50 HydrophobicContact CG2-CG 4.32Å; I46-M50 HydrophobicContact CG2-SD 4.34Å; I46-M50 WeakPolarHBondContact O-CG 3.24Å; I46-M50 PolarHBondContact O-N 2.85Å; I46-L215 HydrophobicContact CD1-CD1 3.89Å; I46-I218 HydrophobicContact CD1-CB 4.06Å; I46-I218 HydrophobicContact CD1-CG1 3.99Å; I46-I218 HydrophobicContact CD1-CG2 3.95Å; I46-I218 HydrophobicContact CG1-CG2 3.96Å; I46-T220 HydrophobicContact CD1-CG2 4.36Å; I46-T220 HydrophobicContact CG1-CG2 3.86Å; I46-K238 HydrophobicContact CG1-CB 4.39Å; I46-A242 HydrophobicContact CG2-CB 4.23Å; I46-I245 HydrophobicContact CG2-CD1 3.56Å |
| 47 | G | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.7 | -38.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G45 A51 N119 | G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 2.93Å; G47-A51 PolarHBondContact O-N 2.94Å; G47-N119 WeakPolarHBondContact CA-ND2 3.39Å |
| 48 | R | 98.9 | Very high | 98.8 | Very high | 61 Ų | 61 | 23.6 Ų | 23.6 | 23% | 0.23 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.3 | -45.5 | 176.6 | -179.5 | 176.5 | 67.8 | -157.7 | 3.4 | 111.4 | A42 K44 G45 I46 M50 A51 Y52 V74 | A42-R48 WeakPolarHBondContact O-CA 3.26Å; A42-R48 WeakPolarHBondContact O-CB 3.48Å; K44-R48 PolarHBondContact O-N 2.86Å; G45-R48 WeakPolarHBondContact O-CB 3.38Å; G45-R48 PolarHBondContact O-N 2.92Å; I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 2.83Å; R48-M50 VanDerWaalsContact C-N 3.26Å; R48-M50 PolarHBondContact O-N 2.79Å; R48-A51 WeakPolarHBondContact O-CB 3.43Å; R48-A51 PolarHBondContact O-N 3.19Å; R48-A51 VanDerWaalsContact O-N 3.1Å; R48-Y52 WeakPolarHBondContact CD-OH 3.22Å; R48-Y52 HydrophobicContact CG-CD1 4.46Å; R48-Y52 HydrophobicContact CG-CD2 4.04Å; R48-Y52 HydrophobicContact CG-CE1 3.92Å; R48-Y52 HydrophobicContact CG-CE2 3.44Å; R48-Y52 VanDerWaalsContact CG-CE2 3.44Å; R48-Y52 PolarHBondContact O-N 3.41Å; R48-V74 HydrophobicContact CG-CG1 4.46Å; R48-V74 HydrophobicContact CG-CG2 3.83Å |
| 49 | E | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 178.3 | -57.9 | -42.7 | 132.5 | 0 | 0 | 111.7 | G45 I46 Y52 H53 K238 E239 A242 | G45-E49 PolarHBondContact O-N 3.14Å; G45-E49 VanDerWaalsContact O-N 3.17Å; I46-E49 PolarHBondContact O-N 2.85Å; E49-Y52 PolarHBondContact O-N 3.1Å; E49-H53 PolarHBondContact O-CD2 3.46Å; E49-H53 PolarHBondContact O-N 3.04Å; E49-K238 HydrophobicContact CG-CD 4.41Å; E49-K238 HydrophobicContact CG-CG 4.03Å; E49-E239 HydrophobicContact CG-CG 4.43Å; E49-A242 HydrophobicContact CB-CB 3.59Å |
| 50 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 171.9 | -73.8 | -172.7 | -63.8 | 0 | 0 | 111.8 | V39 I46 R48 Y52 H53 L54 I117 N119 A242 I245 I246 | V39-M50 HydrophobicContact CG1-CB 4.33Å; V39-M50 HydrophobicContact CG1-CE 3.95Å; I46-M50 HydrophobicContact CG2-CE 4.09Å; I46-M50 HydrophobicContact CG2-CG 4.32Å; I46-M50 HydrophobicContact CG2-SD 4.34Å; I46-M50 WeakPolarHBondContact O-CG 3.24Å; I46-M50 PolarHBondContact O-N 2.85Å; R48-M50 VanDerWaalsContact C-N 3.26Å; R48-M50 PolarHBondContact O-N 2.79Å; M50-Y52 VanDerWaalsContact C-N 3.27Å; M50-Y52 PolarHBondContact O-N 3.26Å; M50-H53 PolarHBondContact O-N 2.95Å; M50-L54 WeakPolarHBondContact O-CB 3.4Å; M50-L54 WeakPolarHBondContact O-CD1 3.46Å; M50-L54 VanDerWaalsContact O-CG 3.22Å; M50-L54 WeakPolarHBondContact O-CG 3.25Å; M50-L54 PolarHBondContact O-N 2.96Å; M50-I117 HydrophobicContact CE-CG2 3.63Å; M50-I117 HydrophobicContact SD-CD1 4.31Å; M50-I117 HydrophobicContact SD-CG2 3.74Å; M50-N119 HydrophobicContact CE-CB 3.74Å; M50-A242 HydrophobicContact CB-CB 4.4Å; M50-A242 HydrophobicContact CG-CB 3.57Å; M50-I245 HydrophobicContact SD-CB 4.01Å; M50-I245 HydrophobicContact SD-CD1 4.15Å; M50-I245 HydrophobicContact SD-CG2 3.48Å; M50-I245 WeakPolarHBondContact SD-CG2 3.32Å; M50-I246 HydrophobicContact CB-CD1 4.17Å; M50-I246 HydrophobicContact CG-CD1 4.23Å; M50-I246 HydrophobicContact CG-CG1 4.29Å |
| 51 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | G47 R48 A55 V63 V74 | G47-A51 PolarHBondContact O-N 2.94Å; R48-A51 WeakPolarHBondContact O-CB 3.43Å; R48-A51 PolarHBondContact O-N 3.19Å; R48-A51 VanDerWaalsContact O-N 3.1Å; A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.2Å; A51-A55 PolarHBondContact O-N 3.31Å; A51-V63 HydrophobicContact CB-CG1 3.75Å; A51-V74 HydrophobicContact CB-CG1 4.17Å |
| 52 | Y | 98.9 | Very high | 98.8 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 14% | 0.137 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 177.9 | -64.9 | -14.1 | 0 | 0 | 0 | 113.2 | R48 E49 M50 A55 K56 V74 H77 L81 | R48-Y52 WeakPolarHBondContact CD-OH 3.22Å; R48-Y52 HydrophobicContact CG-CD1 4.46Å; R48-Y52 HydrophobicContact CG-CD2 4.04Å; R48-Y52 HydrophobicContact CG-CE1 3.92Å; R48-Y52 HydrophobicContact CG-CE2 3.44Å; R48-Y52 VanDerWaalsContact CG-CE2 3.44Å; R48-Y52 PolarHBondContact O-N 3.41Å; E49-Y52 PolarHBondContact O-N 3.1Å; M50-Y52 VanDerWaalsContact C-N 3.27Å; M50-Y52 PolarHBondContact O-N 3.26Å; Y52-A55 WeakPolarHBondContact O-CB 3.41Å; Y52-A55 PolarHBondContact O-N 3.45Å; Y52-K56 WeakPolarHBondContact O-CG 3.29Å; Y52-K56 PolarHBondContact O-N 3.37Å; Y52-V74 HydrophobicContact CE1-CB 4.43Å; Y52-V74 HydrophobicContact CE1-CG1 3.94Å; Y52-H77 AromaticContact CD1-CD2 3.87Å; Y52-H77 HydrophobicContact CE1-CB 3.85Å; Y52-H77 AromaticContact CE1-CD2 3.56Å; Y52-H77 AromaticContact CE2-CD2 3.73Å; Y52-H77 AromaticContact CZ-CD2 3.47Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.47Å; Y52-L81 HydrophobicContact CD1-CD1 4.05Å; Y52-L81 HydrophobicContact CG-CD1 3.93Å |
| 53 | H | 98.9 | Very high | 98.8 | Very high | 32 Ų | 32 | 25.1 Ų | 25.1 | 15% | 0.148 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 174 | -79 | -58.8 | 0 | 0 | 0 | 111.9 | E49 M50 A55 K56 M57 E239 I246 | E49-H53 PolarHBondContact O-CD2 3.46Å; E49-H53 PolarHBondContact O-N 3.04Å; M50-H53 PolarHBondContact O-N 2.95Å; H53-A55 VanDerWaalsContact C-N 3.27Å; H53-A55 PolarHBondContact O-N 2.88Å; H53-K56 PolarHBondContact O-N 3.06Å; H53-M57 HydrophobicContact CB-CE 4.2Å; H53-M57 VanDerWaalsContact O-CG 3.24Å; H53-M57 WeakPolarHBondContact O-CG 3.29Å; H53-M57 PolarHBondContact O-N 3.49Å; H53-E239 PolarHBondContact NE2-O 3.49Å; H53-I246 HydrophobicContact CB-CD1 3.57Å |
| 54 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 176 | -71.3 | 166.3 | 0 | 0 | 0 | 111.9 | L32 V37 V39 M50 M57 G58 A59 V61 I117 I246 | L32-L54 HydrophobicContact CD1-CD2 4.04Å; L32-L54 HydrophobicContact CG-CD2 4.14Å; V37-L54 HydrophobicContact CB-CD1 4.06Å; V37-L54 HydrophobicContact CG1-CD1 3.54Å; V37-L54 HydrophobicContact CG1-CD2 4.38Å; V37-L54 HydrophobicContact CG2-CD2 4.13Å; V39-L54 HydrophobicContact CG2-CD1 3.67Å; M50-L54 WeakPolarHBondContact O-CB 3.4Å; M50-L54 WeakPolarHBondContact O-CD1 3.46Å; M50-L54 VanDerWaalsContact O-CG 3.22Å; M50-L54 WeakPolarHBondContact O-CG 3.25Å; M50-L54 PolarHBondContact O-N 2.96Å; L54-M57 PolarHBondContact O-N 3.05Å; L54-G58 PolarHBondContact O-N 3.26Å; L54-A59 HydrophobicContact CB-CB 4.1Å; L54-A59 HydrophobicContact CD2-CB 4.44Å; L54-A59 VanDerWaalsContact O-CB 3.26Å; L54-A59 WeakPolarHBondContact O-CB 3.22Å; L54-A59 PolarHBondContact O-N 2.97Å; L54-V61 HydrophobicContact CB-CG1 3.72Å; L54-V61 HydrophobicContact CD1-CG1 4.32Å; L54-I117 HydrophobicContact CD1-CD1 4.08Å; L54-I246 HydrophobicContact CD2-CD1 4.28Å; L54-I246 HydrophobicContact CD2-CG1 4.38Å; L54-I246 HydrophobicContact CD2-CG2 4.13Å; L54-I246 HydrophobicContact CG-CD1 3.89Å; L54-I246 HydrophobicContact CG-CG1 4.35Å |
| 55 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A51 Y52 H53 M57 G58 C78 L81 G82 A83 | A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.2Å; A51-A55 PolarHBondContact O-N 3.31Å; Y52-A55 WeakPolarHBondContact O-CB 3.41Å; Y52-A55 PolarHBondContact O-N 3.45Å; H53-A55 VanDerWaalsContact C-N 3.27Å; H53-A55 PolarHBondContact O-N 2.88Å; A55-M57 PolarHBondContact O-N 2.91Å; A55-G58 PolarHBondContact O-N 3.37Å; A55-C78 HydrophobicContact CB-CB 3.79Å; A55-C78 WeakPolarHBondContact CB-O 3.49Å; A55-L81 HydrophobicContact CB-CB 3.94Å; A55-G82 CarbonylContact O-C 3.56Å; A55-A83 HydrophobicContact CB-CB 3.79Å; A55-A83 PolarHBondContact O-N 3.39Å |
| 56 | K | 98.9 | Very high | 98.9 | Very high | 130 Ų | 130 | 26.1 Ų | 26.1 | 57% | 0.565 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -59.5 | -28.4 | 175.5 | -70 | 173 | -176.8 | 174.8 | 0 | 113 | Y52 H53 G58 L81 | Y52-K56 WeakPolarHBondContact O-CG 3.29Å; Y52-K56 PolarHBondContact O-N 3.37Å; H53-K56 PolarHBondContact O-N 3.06Å; K56-G58 VanDerWaalsContact C-N 3.26Å; K56-L81 HydrophobicContact CD-CD2 4.5Å; K56-L81 HydrophobicContact CG-CB 4.07Å; K56-L81 HydrophobicContact CG-CD1 4.3Å; K56-L81 HydrophobicContact CG-CD2 4.09Å; K56-L81 HydrophobicContact CG-CG 4.39Å |
| 57 | M | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 27 Ų | 27 | 11% | 0.108 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.9 | 176.4 | -63.3 | 168.3 | -169 | 0 | 0 | 113.1 | F27 P29 L32 Q33 H53 L54 A55 L243 I246 | F27-M57 HydrophobicContact CE1-CE 4.17Å; F27-M57 HydrophobicContact CZ-CE 3.72Å; F27-M57 HydrophobicContact CZ-SD 3.99Å; P29-M57 HydrophobicContact CB-CG 4.14Å; L32-M57 HydrophobicContact CB-CB 3.87Å; L32-M57 HydrophobicContact CB-CG 4.46Å; L32-M57 HydrophobicContact CB-SD 3.94Å; L32-M57 HydrophobicContact CD2-SD 4.32Å; L32-M57 HydrophobicContact CG-SD 3.97Å; Q33-M57 WeakPolarHBondContact CA-O 3.48Å; Q33-M57 PolarHBondContact N-O 3.47Å; H53-M57 HydrophobicContact CB-CE 4.2Å; H53-M57 VanDerWaalsContact O-CG 3.24Å; H53-M57 WeakPolarHBondContact O-CG 3.29Å; H53-M57 PolarHBondContact O-N 3.49Å; L54-M57 PolarHBondContact O-N 3.05Å; A55-M57 PolarHBondContact O-N 2.91Å; M57-L243 HydrophobicContact CE-CD1 3.6Å; M57-I246 HydrophobicContact SD-CG2 4.23Å |
| 58 | G | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 32 Ų | 32 | 17% | 0.165 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 27.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G34 L54 A55 K56 A84 | G34-G58 PolarHBondContact N-O 2.94Å; L54-G58 PolarHBondContact O-N 3.26Å; A55-G58 PolarHBondContact O-N 3.37Å; K56-G58 VanDerWaalsContact C-N 3.26Å; G58-A84 WeakPolarHBondContact O-CB 3.34Å |
| 59 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -77.1 | 158.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K35 V37 L54 V61 A84 | K35-A59 WeakPolarHBondContact O-CA 3.46Å; K35-A59 WeakPolarHBondContact O-CB 3.46Å; V37-A59 HydrophobicContact CG2-CB 4.41Å; L54-A59 HydrophobicContact CB-CB 4.1Å; L54-A59 HydrophobicContact CD2-CB 4.44Å; L54-A59 VanDerWaalsContact O-CB 3.26Å; L54-A59 WeakPolarHBondContact O-CB 3.22Å; L54-A59 PolarHBondContact O-N 2.97Å; A59-V61 HydrophobicContact CB-CG1 4.25Å; A59-A84 PolarHBondContact O-N 2.84Å | ||
| 60 | H | 98.9 | Very high | 98.7 | Very high | 51 Ų | 51 | 36 Ų | 36 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.1 | 159.8 | -61.6 | -86.7 | 0 | 0 | 0 | 108.4 | G34 K35 K36 V37 A84 S85 M110 | G34-H60 PolarHBondContact O-CD2 3.04Å; K35-H60 PolarHBondContact O-N 3.38Å; K36-H60 HydrophobicContact CG-CB 4.4Å; V37-H60 PolarHBondContact N-O 2.98Å; H60-A84 VanDerWaalsContact CE1-CB 3.46Å; H60-A84 WeakPolarHBondContact CE1-CB 3.38Å; H60-S85 CarbonylContact C-O 3.18Å; H60-S85 WeakPolarHBondContact CA-O 3.37Å; H60-S85 WeakPolarHBondContact ND1-CB 3.41Å; H60-S85 PolarHBondContact ND1-N 3.21Å; H60-S85 PolarHBondContact ND1-OG 2.8Å; H60-M110 HydrophobicContact CB-CG 4.19Å; H60-M110 HydrophobicContact CB-SD 3.97Å |
| 61 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.7 | -176.7 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | V37 L54 A59 C78 A83 S85 A86 H87 | V37-V61 WeakPolarHBondContact O-CA 3.31Å; L54-V61 HydrophobicContact CB-CG1 3.72Å; L54-V61 HydrophobicContact CD1-CG1 4.32Å; A59-V61 HydrophobicContact CB-CG1 4.25Å; V61-C78 HydrophobicContact CG2-CB 4.17Å; V61-A83 HydrophobicContact CG2-CB 4.45Å; V61-S85 PolarHBondContact N-O 3.48Å; V61-A86 HydrophobicContact CG2-CB 3.61Å; V61-A86 WeakPolarHBondContact O-CA 3.49Å; V61-H87 PolarHBondContact O-N 3.21Å |
| 62 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.2 | 164.8 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | V37 I38 V39 H87 I89 F102 A106 M110 | V37-V62 PolarHBondContact O-N 3.16Å; I38-V62 WeakPolarHBondContact CA-O 3.21Å; I38-V62 HydrophobicContact CG1-CB 4.33Å; V39-V62 PolarHBondContact N-O 2.94Å; V62-H87 WeakPolarHBondContact CA-O 3.36Å; V62-H87 HydrophobicContact CG2-CB 4.32Å; V62-I89 HydrophobicContact CG1-CD1 4.23Å; V62-I89 HydrophobicContact CG1-CG1 4.48Å; V62-F102 HydrophobicContact CG1-CE2 3.91Å; V62-F102 HydrophobicContact CG1-CZ 4.33Å; V62-A106 HydrophobicContact CB-CB 4Å; V62-A106 HydrophobicContact CG1-CB 3.67Å; V62-A106 HydrophobicContact CG2-CB 4.15Å; V62-M110 HydrophobicContact CB-CE 4.26Å; V62-M110 HydrophobicContact CB-SD 4.43Å; V62-M110 HydrophobicContact CG2-CE 3.81Å; V62-M110 HydrophobicContact CG2-CG 3.7Å; V62-M110 HydrophobicContact CG2-SD 3.68Å |
| 63 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.6 | -177.4 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | V39 A42 A51 L71 V74 V75 H87 Y88 I89 | V39-V63 HydrophobicContact CB-CG1 4.44Å; V39-V63 WeakPolarHBondContact O-CA 3.46Å; A42-V63 HydrophobicContact CB-CB 3.71Å; A42-V63 HydrophobicContact CB-CG1 3.71Å; A51-V63 HydrophobicContact CB-CG1 3.75Å; V63-L71 HydrophobicContact CB-CD2 4.12Å; V63-L71 HydrophobicContact CG2-CD2 3.88Å; V63-V74 HydrophobicContact CG1-CG1 4.41Å; V63-V74 HydrophobicContact CG2-CG1 4.4Å; V63-V75 HydrophobicContact CG2-CG2 3.59Å; V63-H87 WeakPolarHBondContact CG2-O 3.43Å; V63-H87 PolarHBondContact N-O 3.29Å; V63-Y88 WeakPolarHBondContact O-CA 3.38Å; V63-Y88 WeakPolarHBondContact O-CB 3.38Å; V63-I89 PolarHBondContact O-N 3.45Å; V63-I89 VanDerWaalsContact O-N 3.14Å |
| 64 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.9 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | V39 T40 G41 A42 I89 M93 F102 | V39-T64 PolarHBondContact O-N 3.21Å; V39-T64 VanDerWaalsContact O-N 3.09Å; T40-T64 HydrophobicContact CG2-CG2 3.72Å; G41-T64 PolarHBondContact N-O 2.89Å; A42-T64 PolarHBondContact N-O 3.18Å; A42-T64 VanDerWaalsContact N-O 3.15Å; T64-I89 WeakPolarHBondContact CA-O 3.47Å; T64-I89 WeakPolarHBondContact CB-O 3.35Å; T64-I89 PolarHBondContact OG1-O 3.26Å; T64-M93 HydrophobicContact CG2-CE 3.49Å; T64-M93 VanDerWaalsContact CG2-CE 3.49Å; T64-F102 HydrophobicContact CG2-CD1 4.25Å; T64-F102 HydrophobicContact CG2-CD2 4.42Å; T64-F102 HydrophobicContact CG2-CE1 3.6Å; T64-F102 HydrophobicContact CG2-CE2 3.81Å; T64-F102 HydrophobicContact CG2-CZ 3.35Å |
| 65 | A | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | -178.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S43 L71 A90 G91 | S43-A65 VanDerWaalsContact OG-CB 3.31Å; S43-A65 WeakPolarHBondContact OG-CB 3.39Å; A65-L71 HydrophobicContact CB-CD1 4.1Å; A65-L71 HydrophobicContact CB-CD2 3.9Å; A65-L71 HydrophobicContact CB-CG 4.08Å; A65-L71 WeakPolarHBondContact O-CD1 3.48Å; A65-A90 VanDerWaalsContact O-CA 3.31Å; A65-A90 WeakPolarHBondContact O-CA 3.38Å; A65-G91 CarbonylContact C-O 3.59Å; A65-G91 PolarHBondContact O-N 3.17Å |
| 66 | R | 98.4 | Very high | 98.7 | Very high | 141 Ų | 141 | 47.9 Ų | 47.9 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -76.2 | -42.9 | -180 | -66 | 173.7 | -69 | 169.7 | -3 | 114 | K68 N123 | R66-K68 PolarHBondContact O-N 3.27Å; R66-N123 PolarHBondContact NH2-OD1 2.86Å |
| 67 | S | 97.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | trans | -84.7 | 115.6 | -176 | 162.1 | 0 | 0 | 0 | 0 | 111.1 | E69 T70 L71 | S67-E69 VanDerWaalsContact C-N 3.35Å; S67-E69 PolarHBondContact OG-OE2 3.23Å; S67-T70 WeakPolarHBondContact CB-OG1 3.41Å; S67-T70 PolarHBondContact O-OG1 3Å; S67-T70 VanDerWaalsContact O-OG1 3.05Å; S67-T70 PolarHBondContact OG-N 3.05Å; S67-T70 PolarHBondContact OG-OG1 2.97Å; S67-L71 WeakPolarHBondContact O-CD1 3.35Å; S67-L71 VanDerWaalsContact O-CG 3.29Å; S67-L71 WeakPolarHBondContact O-CG 3.46Å; S67-L71 PolarHBondContact O-N 2.97Å | ||
| 68 | K | 98.2 | Very high | 98.7 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.7 | 176 | 173.7 | -178.9 | -175.5 | 0 | 112.1 | R66 T70 L71 Q72 Y88 A90 | R66-K68 PolarHBondContact O-N 3.27Å; K68-T70 PolarHBondContact O-N 3.45Å; K68-L71 PolarHBondContact O-N 3.1Å; K68-Q72 HydrophobicContact CG-CG 4.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.35Å; K68-Q72 PolarHBondContact O-N 2.88Å; K68-Y88 HydrophobicContact CD-CE2 4.47Å; K68-Y88 WeakPolarHBondContact CE-OH 3.15Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; K68-A90 HydrophobicContact CB-CB 4.19Å |
| 69 | E | 98.3 | Very high | 98.7 | Very high | 116 Ų | 116 | 47.3 Ų | 47.3 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -41.9 | -173.9 | -54.6 | 68.6 | -146.2 | 0 | 0 | 111 | S67 K73 | S67-E69 VanDerWaalsContact C-N 3.35Å; S67-E69 PolarHBondContact OG-OE2 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.35Å; E69-K73 PolarHBondContact O-N 3.41Å |
| 70 | T | 98.1 | Very high | 98.7 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.8 | -38.9 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | S43 S67 K68 Q72 K73 V74 | S43-T70 VanDerWaalsContact CB-OG1 3.29Å; S43-T70 WeakPolarHBondContact CB-OG1 3.01Å; S67-T70 WeakPolarHBondContact CB-OG1 3.41Å; S67-T70 PolarHBondContact O-OG1 3Å; S67-T70 VanDerWaalsContact O-OG1 3.05Å; S67-T70 PolarHBondContact OG-N 3.05Å; S67-T70 PolarHBondContact OG-OG1 2.97Å; K68-T70 PolarHBondContact O-N 3.45Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.03Å; T70-K73 PolarHBondContact O-N 3.36Å; T70-V74 WeakPolarHBondContact O-CG2 3.3Å; T70-V74 PolarHBondContact O-N 2.69Å |
| 71 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 175.1 | -73.4 | 168.2 | 0 | 0 | 0 | 112.7 | V63 A65 S67 K68 K73 V74 V75 Y88 A90 | V63-L71 HydrophobicContact CB-CD2 4.12Å; V63-L71 HydrophobicContact CG2-CD2 3.88Å; A65-L71 HydrophobicContact CB-CD1 4.1Å; A65-L71 HydrophobicContact CB-CD2 3.9Å; A65-L71 HydrophobicContact CB-CG 4.08Å; A65-L71 WeakPolarHBondContact O-CD1 3.48Å; S67-L71 WeakPolarHBondContact O-CD1 3.35Å; S67-L71 VanDerWaalsContact O-CG 3.29Å; S67-L71 WeakPolarHBondContact O-CG 3.46Å; S67-L71 PolarHBondContact O-N 2.97Å; K68-L71 PolarHBondContact O-N 3.1Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.35Å; L71-V74 PolarHBondContact O-N 2.82Å; L71-V75 WeakPolarHBondContact O-CG2 3.13Å; L71-V75 PolarHBondContact O-N 2.65Å; L71-Y88 HydrophobicContact CB-CD2 3.9Å; L71-Y88 HydrophobicContact CB-CG 3.8Å; L71-Y88 HydrophobicContact CD1-CD2 4.08Å; L71-A90 HydrophobicContact CD1-CB 3.98Å |
| 72 | Q | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 173.9 | -77 | 171.8 | -27.2 | 0 | 0 | 111.1 | K68 T70 V74 V75 S76 Y88 | K68-Q72 HydrophobicContact CG-CG 4.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.35Å; K68-Q72 PolarHBondContact O-N 2.88Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.03Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3.33Å; Q72-V75 PolarHBondContact O-N 3.27Å; Q72-S76 PolarHBondContact O-N 2.83Å; Q72-S76 PolarHBondContact O-OG 3.27Å; Q72-Y88 HydrophobicContact CB-CE1 4.42Å; Q72-Y88 HydrophobicContact CG-CD1 4.27Å; Q72-Y88 HydrophobicContact CG-CE1 3.43Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.43Å; Q72-Y88 HydrophobicContact CG-CE2 4.43Å; Q72-Y88 WeakPolarHBondContact CG-OH 3.31Å; Q72-Y88 PolarHBondContact NE2-OH 3.36Å |
| 73 | K | 98.8 | Very high | 98.7 | Very high | 153 Ų | 153 | 56.8 Ų | 56.8 | 67% | 0.665 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 176.3 | -65.8 | 177.3 | -177.7 | -175.6 | 0 | 112.3 | E69 T70 L71 H77 | E69-K73 WeakPolarHBondContact O-CG 3.35Å; E69-K73 PolarHBondContact O-N 3.41Å; T70-K73 PolarHBondContact O-N 3.36Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.35Å; K73-H77 WeakPolarHBondContact O-CB 3.42Å; K73-H77 PolarHBondContact O-N 3.18Å |
| 74 | V | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | R48 A51 Y52 V63 T70 L71 Q72 H77 C78 | R48-V74 HydrophobicContact CG-CG1 4.46Å; R48-V74 HydrophobicContact CG-CG2 3.83Å; A51-V74 HydrophobicContact CB-CG1 4.17Å; Y52-V74 HydrophobicContact CE1-CB 4.43Å; Y52-V74 HydrophobicContact CE1-CG1 3.94Å; V63-V74 HydrophobicContact CG1-CG1 4.41Å; V63-V74 HydrophobicContact CG2-CG1 4.4Å; T70-V74 WeakPolarHBondContact O-CG2 3.3Å; T70-V74 PolarHBondContact O-N 2.69Å; L71-V74 PolarHBondContact O-N 2.82Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3.33Å; V74-H77 PolarHBondContact O-N 3.39Å; V74-C78 PolarHBondContact O-N 2.95Å; V74-C78 PolarHBondContact O-SG 3.03Å |
| 75 | V | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 178 | 164.6 | 0 | 0 | 0 | 0 | 112 | V63 L71 Q72 H77 C78 L79 A86 Y88 | V63-V75 HydrophobicContact CG2-CG2 3.59Å; L71-V75 WeakPolarHBondContact O-CG2 3.13Å; L71-V75 PolarHBondContact O-N 2.65Å; Q72-V75 PolarHBondContact O-N 3.27Å; V75-H77 VanDerWaalsContact C-N 3.29Å; V75-H77 PolarHBondContact O-N 3.09Å; V75-C78 PolarHBondContact O-N 3.19Å; V75-L79 HydrophobicContact CG1-CD1 4.3Å; V75-L79 WeakPolarHBondContact O-CG 3.18Å; V75-L79 PolarHBondContact O-N 2.81Å; V75-A86 HydrophobicContact CB-CB 4.47Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.38Å; V75-A86 HydrophobicContact CG2-CB 4.47Å; V75-Y88 HydrophobicContact CB-CD1 4.39Å; V75-Y88 HydrophobicContact CG2-CD1 3.92Å; V75-Y88 HydrophobicContact CG2-CG 4.37Å |
| 76 | S | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.1 | -46.9 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | Q72 L79 E80 | Q72-S76 PolarHBondContact O-N 2.83Å; Q72-S76 PolarHBondContact O-OG 3.27Å; S76-L79 PolarHBondContact O-N 3.38Å; S76-E80 WeakPolarHBondContact O-CG 3.28Å; S76-E80 PolarHBondContact O-N 3Å; S76-E80 VanDerWaalsContact O-N 3.11Å |
| 77 | H | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69 | -35.8 | 179.2 | -162.3 | 56.1 | 0 | 0 | 0 | 113.1 | Y52 K73 V74 V75 L79 E80 L81 | Y52-H77 AromaticContact CD1-CD2 3.87Å; Y52-H77 HydrophobicContact CE1-CB 3.85Å; Y52-H77 AromaticContact CE1-CD2 3.56Å; Y52-H77 AromaticContact CE2-CD2 3.73Å; Y52-H77 AromaticContact CZ-CD2 3.47Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.47Å; K73-H77 WeakPolarHBondContact O-CB 3.42Å; K73-H77 PolarHBondContact O-N 3.18Å; V74-H77 PolarHBondContact O-N 3.39Å; V75-H77 VanDerWaalsContact C-N 3.29Å; V75-H77 PolarHBondContact O-N 3.09Å; H77-L79 VanDerWaalsContact C-N 3.28Å; H77-L79 PolarHBondContact O-N 3.45Å; H77-E80 IonicContact CE1-OE2 3.82Å; H77-E80 IonicContact CG-OE2 3.44Å; H77-E80 IonicContact ND1-OE2 2.72Å; H77-E80 PolarHBondContact ND1-OE2 3.43Å; H77-E80 PolarHBondContact O-N 3.46Å; H77-L81 WeakPolarHBondContact O-CB 3.47Å; H77-L81 VanDerWaalsContact O-CG 3.26Å; H77-L81 WeakPolarHBondContact O-CG 3.42Å; H77-L81 PolarHBondContact O-N 2.96Å |
| 78 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 172.7 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | A55 V61 V74 V75 L81 G82 A83 A86 | A55-C78 HydrophobicContact CB-CB 3.79Å; A55-C78 WeakPolarHBondContact CB-O 3.49Å; V61-C78 HydrophobicContact CG2-CB 4.17Å; V74-C78 PolarHBondContact O-N 2.95Å; V74-C78 PolarHBondContact O-SG 3.03Å; V75-C78 PolarHBondContact O-N 3.19Å; C78-L81 PolarHBondContact O-N 3.28Å; C78-G82 PolarHBondContact O-N 3.33Å; C78-A83 HydrophobicContact CB-CB 4.25Å; C78-A83 WeakPolarHBondContact O-CB 3.46Å; C78-A83 PolarHBondContact O-N 3.37Å; C78-A86 HydrophobicContact CB-CB 3.78Å |
| 79 | L | 98.9 | Very high | 98.8 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 176.3 | -65 | 169.4 | 0 | 0 | 0 | 111.4 | V75 S76 H77 L81 G82 A86 | V75-L79 HydrophobicContact CG1-CD1 4.3Å; V75-L79 WeakPolarHBondContact O-CG 3.18Å; V75-L79 PolarHBondContact O-N 2.81Å; S76-L79 PolarHBondContact O-N 3.38Å; H77-L79 VanDerWaalsContact C-N 3.28Å; H77-L79 PolarHBondContact O-N 3.45Å; L79-L81 VanDerWaalsContact C-N 3.25Å; L79-L81 PolarHBondContact O-N 3.31Å; L79-G82 PolarHBondContact O-N 3.44Å; L79-G82 VanDerWaalsContact O-N 3.14Å; L79-A86 HydrophobicContact CD2-CB 3.88Å; L79-A86 HydrophobicContact CG-CB 3.98Å |
| 80 | E | 98.8 | Very high | 98.8 | Very high | 146 Ų | 146 | 50.2 Ų | 50.2 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.3 | -36.3 | 175 | -68.8 | 165.2 | -174.1 | 0 | 0 | 112.5 | S76 H77 G82 | S76-E80 WeakPolarHBondContact O-CG 3.28Å; S76-E80 PolarHBondContact O-N 3Å; S76-E80 VanDerWaalsContact O-N 3.11Å; H77-E80 IonicContact CE1-OE2 3.82Å; H77-E80 IonicContact CG-OE2 3.44Å; H77-E80 IonicContact ND1-OE2 2.72Å; H77-E80 PolarHBondContact ND1-OE2 3.43Å; H77-E80 PolarHBondContact O-N 3.46Å; E80-G82 VanDerWaalsContact C-N 3.26Å; E80-G82 PolarHBondContact O-N 3.37Å |
| 81 | L | 98.8 | Very high | 98.8 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.2 | 179.3 | -71.6 | 176.6 | 0 | 0 | 0 | 114.3 | Y52 A55 K56 H77 C78 L79 | Y52-L81 HydrophobicContact CD1-CD1 4.05Å; Y52-L81 HydrophobicContact CG-CD1 3.93Å; A55-L81 HydrophobicContact CB-CB 3.94Å; K56-L81 HydrophobicContact CD-CD2 4.5Å; K56-L81 HydrophobicContact CG-CB 4.07Å; K56-L81 HydrophobicContact CG-CD1 4.3Å; K56-L81 HydrophobicContact CG-CD2 4.09Å; K56-L81 HydrophobicContact CG-CG 4.39Å; H77-L81 WeakPolarHBondContact O-CB 3.47Å; H77-L81 VanDerWaalsContact O-CG 3.26Å; H77-L81 WeakPolarHBondContact O-CG 3.42Å; H77-L81 PolarHBondContact O-N 2.96Å; C78-L81 PolarHBondContact O-N 3.28Å; L79-L81 VanDerWaalsContact C-N 3.25Å; L79-L81 PolarHBondContact O-N 3.31Å |
| 82 | G | 98.7 | Very high | 98.8 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | 20 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | A55 C78 L79 E80 A84 | A55-G82 CarbonylContact O-C 3.56Å; C78-G82 PolarHBondContact O-N 3.33Å; L79-G82 PolarHBondContact O-N 3.44Å; L79-G82 VanDerWaalsContact O-N 3.14Å; E80-G82 VanDerWaalsContact C-N 3.26Å; E80-G82 PolarHBondContact O-N 3.37Å; G82-A84 PolarHBondContact O-N 3.44Å |
| 83 | A | 98.8 | Very high | 98.8 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | trans | -56.4 | 138.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A55 V61 C78 S85 A86 | A55-A83 HydrophobicContact CB-CB 3.79Å; A55-A83 PolarHBondContact O-N 3.39Å; V61-A83 HydrophobicContact CG2-CB 4.45Å; C78-A83 HydrophobicContact CB-CB 4.25Å; C78-A83 WeakPolarHBondContact O-CB 3.46Å; C78-A83 PolarHBondContact O-N 3.37Å; A83-S85 VanDerWaalsContact C-N 3.25Å; A83-S85 PolarHBondContact O-N 3.09Å; A83-A86 HydrophobicContact CB-CB 4.36Å | ||
| 84 | A | 98.8 | Very high | 98.8 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63.8 | -34.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G58 A59 H60 G82 | G58-A84 WeakPolarHBondContact O-CB 3.34Å; A59-A84 PolarHBondContact O-N 2.84Å; H60-A84 VanDerWaalsContact CE1-CB 3.46Å; H60-A84 WeakPolarHBondContact CE1-CB 3.38Å; G82-A84 PolarHBondContact O-N 3.44Å |
| 85 | S | 98.9 | Very high | 98.8 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 153.9 | 160.7 | 68.7 | 0 | 0 | 0 | 0 | 109.6 | H60 V61 A83 | H60-S85 CarbonylContact C-O 3.18Å; H60-S85 WeakPolarHBondContact CA-O 3.37Å; H60-S85 WeakPolarHBondContact ND1-CB 3.41Å; H60-S85 PolarHBondContact ND1-N 3.21Å; H60-S85 PolarHBondContact ND1-OG 2.8Å; V61-S85 PolarHBondContact N-O 3.48Å; A83-S85 VanDerWaalsContact C-N 3.25Å; A83-S85 PolarHBondContact O-N 3.09Å |
| 86 | A | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 129 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V61 V75 C78 L79 A83 | V61-A86 HydrophobicContact CG2-CB 3.61Å; V61-A86 WeakPolarHBondContact O-CA 3.49Å; V75-A86 HydrophobicContact CB-CB 4.47Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.38Å; V75-A86 HydrophobicContact CG2-CB 4.47Å; C78-A86 HydrophobicContact CB-CB 3.78Å; L79-A86 HydrophobicContact CD2-CB 3.88Å; L79-A86 HydrophobicContact CG-CB 3.98Å; A83-A86 HydrophobicContact CB-CB 4.36Å |
| 87 | H | 98.9 | Very high | 98.8 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 161.3 | 176.3 | -54.8 | -75.9 | 0 | 0 | 0 | 110.7 | V61 V62 V63 L109 | V61-H87 PolarHBondContact O-N 3.21Å; V62-H87 WeakPolarHBondContact CA-O 3.36Å; V62-H87 HydrophobicContact CG2-CB 4.32Å; V63-H87 WeakPolarHBondContact CG2-O 3.43Å; V63-H87 PolarHBondContact N-O 3.29Å; H87-L109 HydrophobicContact CB-CD1 3.98Å |
| 88 | Y | 98.9 | Very high | 98.8 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 26% | 0.263 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.4 | 171.3 | 72.7 | -88.2 | 0 | 0 | 0 | 111.6 | V63 K68 L71 Q72 V75 | V63-Y88 WeakPolarHBondContact O-CA 3.38Å; V63-Y88 WeakPolarHBondContact O-CB 3.38Å; K68-Y88 HydrophobicContact CD-CE2 4.47Å; K68-Y88 WeakPolarHBondContact CE-OH 3.15Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; L71-Y88 HydrophobicContact CB-CD2 3.9Å; L71-Y88 HydrophobicContact CB-CG 3.8Å; L71-Y88 HydrophobicContact CD1-CD2 4.08Å; Q72-Y88 HydrophobicContact CB-CE1 4.42Å; Q72-Y88 HydrophobicContact CG-CD1 4.27Å; Q72-Y88 HydrophobicContact CG-CE1 3.43Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.43Å; Q72-Y88 HydrophobicContact CG-CE2 4.43Å; Q72-Y88 WeakPolarHBondContact CG-OH 3.31Å; Q72-Y88 PolarHBondContact NE2-OH 3.36Å; V75-Y88 HydrophobicContact CB-CD1 4.39Å; V75-Y88 HydrophobicContact CG2-CD1 3.92Å; V75-Y88 HydrophobicContact CG2-CG 4.37Å |
| 89 | I | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 116.7 | 169.4 | -58.2 | 166 | 0 | 0 | 0 | 106.5 | V62 V63 T64 F98 F102 Q105 A106 L109 | V62-I89 HydrophobicContact CG1-CD1 4.23Å; V62-I89 HydrophobicContact CG1-CG1 4.48Å; V63-I89 PolarHBondContact O-N 3.45Å; V63-I89 VanDerWaalsContact O-N 3.14Å; T64-I89 WeakPolarHBondContact CA-O 3.47Å; T64-I89 WeakPolarHBondContact CB-O 3.35Å; T64-I89 PolarHBondContact OG1-O 3.26Å; I89-F98 HydrophobicContact CG2-CE2 3.91Å; I89-F98 HydrophobicContact CG2-CZ 4.21Å; I89-F102 HydrophobicContact CB-CD2 3.73Å; I89-F102 HydrophobicContact CB-CE2 4.01Å; I89-F102 HydrophobicContact CD1-CD2 3.72Å; I89-F102 HydrophobicContact CD1-CE2 3.98Å; I89-F102 HydrophobicContact CG1-CD2 4.29Å; I89-F102 HydrophobicContact CG1-CE2 4.43Å; I89-F102 HydrophobicContact CG2-CD2 4.01Å; I89-Q105 HydrophobicContact CD1-CB 3.76Å; I89-Q105 HydrophobicContact CD1-CG 3.65Å; I89-A106 HydrophobicContact CD1-CB 4.35Å; I89-L109 HydrophobicContact CD1-CD1 4.18Å; I89-L109 HydrophobicContact CG1-CD1 4.47Å |
| 90 | A | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | A65 K68 L71 F98 | A65-A90 VanDerWaalsContact O-CA 3.31Å; A65-A90 WeakPolarHBondContact O-CA 3.38Å; K68-A90 HydrophobicContact CB-CB 4.19Å; L71-A90 HydrophobicContact CD1-CB 3.98Å; A90-F98 WeakPolarHBondContact O-CE2 3.45Å |
| 91 | G | 98.5 | Very high | 98.7 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | trans | 174.3 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A65 | A65-G91 CarbonylContact C-O 3.59Å; A65-G91 PolarHBondContact O-N 3.17Å | ||
| 92 | T | 98.6 | Very high | 98.7 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | trans | -105.4 | 136.1 | -178.8 | -172 | 0 | 0 | 0 | 0 | 110.8 | E94 D95 F98 | T92-E94 HydrophobicContact CG2-CB 4.15Å; T92-E94 PolarHBondContact O-N 3.1Å; T92-E94 PolarHBondContact OG1-N 3.33Å; T92-D95 HydrophobicContact CG2-CB 3.98Å; T92-D95 PolarHBondContact O-N 3.37Å; T92-F98 WeakPolarHBondContact O-CD1 3.23Å | ||
| 93 | M | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.069 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.7 | 174.6 | -62.7 | -67.4 | -175.8 | 0 | 0 | 112.4 | T40 T64 M96 F98 A99 F102 H120 V142 S146 L150 | T40-M93 HydrophobicContact CG2-CE 3.92Å; T64-M93 HydrophobicContact CG2-CE 3.49Å; T64-M93 VanDerWaalsContact CG2-CE 3.49Å; M93-M96 WeakPolarHBondContact O-CE 3.22Å; M93-F98 HydrophobicContact CE-CE1 4.03Å; M93-F98 HydrophobicContact SD-CD1 4.26Å; M93-F98 HydrophobicContact SD-CE1 4.17Å; M93-A99 HydrophobicContact SD-CB 4.02Å; M93-F102 HydrophobicContact CE-CD1 4.08Å; M93-F102 HydrophobicContact CE-CE1 4.33Å; M93-H120 VanDerWaalsContact CB-CD2 3.49Å; M93-H120 WeakPolarHBondContact CB-CD2 3.25Å; M93-H120 WeakPolarHBondContact CB-NE2 3.26Å; M93-H120 VanDerWaalsContact CG-NE2 3.29Å; M93-H120 WeakPolarHBondContact CG-NE2 3.24Å; M93-V142 HydrophobicContact CB-CG1 4.36Å; M93-S146 WeakPolarHBondContact O-CB 3.29Å; M93-L150 HydrophobicContact CE-CD1 4.1Å; M93-L150 HydrophobicContact CE-CD2 4.23Å; M93-L150 HydrophobicContact SD-CD1 4.02Å; M93-L150 HydrophobicContact SD-CD2 4.39Å |
| 94 | E | 98.4 | Very high | 98.7 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.9 | 162.4 | -65.9 | 174.1 | -127.4 | 0 | 0 | 111 | T92 K138 V142 | T92-E94 HydrophobicContact CG2-CB 4.15Å; T92-E94 PolarHBondContact O-N 3.1Å; T92-E94 PolarHBondContact OG1-N 3.33Å; E94-K138 VanDerWaalsContact CD-CE 3.43Å; E94-K138 VanDerWaalsContact OE1-CE 3.24Å; E94-K138 WeakPolarHBondContact OE1-CE 3.41Å; E94-K138 IonicContact OE1-NZ 2.68Å; E94-K138 PolarHBondContact OE1-NZ 3.05Å; E94-K138 WeakPolarHBondContact OE2-CE 3.11Å; E94-K138 IonicContact OE2-NZ 3.62Å; E94-K138 PolarHBondContact OE2-NZ 3.46Å; E94-V142 HydrophobicContact CB-CG2 4.25Å; E94-V142 HydrophobicContact CG-CG2 3.29Å |
| 95 | D | 98.7 | Very high | 98.6 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | trans | -96.6 | 110.2 | 177.9 | 178.4 | -5.3 | 0 | 0 | 0 | 109.8 | T92 T97 F98 A99 | T92-D95 HydrophobicContact CG2-CB 3.98Å; T92-D95 PolarHBondContact O-N 3.37Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 2.88Å; D95-T97 WeakPolarHBondContact OD1-CA 3.36Å; D95-T97 VanDerWaalsContact OD1-CB 3.27Å; D95-T97 WeakPolarHBondContact OD1-CB 3.19Å; D95-T97 PolarHBondContact OD1-N 3.21Å; D95-F98 HydrophobicContact CB-CB 3.88Å; D95-F98 WeakPolarHBondContact O-CB 3.35Å; D95-F98 PolarHBondContact O-N 2.9Å; D95-F98 PolarHBondContact OD1-N 2.87Å; D95-F98 VanDerWaalsContact OD1-N 3.09Å; D95-A99 PolarHBondContact O-N 3.47Å | ||
| 96 | M | 98.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.1 | -27.8 | -179.9 | -59.3 | -57.8 | 129.2 | 0 | 0 | 112.4 | M93 A99 E100 E141 L145 V149 | M93-M96 WeakPolarHBondContact O-CE 3.22Å; M96-A99 PolarHBondContact O-N 2.99Å; M96-E100 PolarHBondContact O-N 3.47Å; M96-E141 HydrophobicContact CE-CB 4.35Å; M96-L145 HydrophobicContact CG-CD2 4.45Å; M96-L145 HydrophobicContact SD-CB 4.4Å; M96-L145 HydrophobicContact SD-CD2 4.27Å; M96-L145 HydrophobicContact SD-CG 4.02Å; M96-V149 HydrophobicContact CB-CG2 4.32Å; M96-V149 HydrophobicContact CG-CG2 4.4Å; M96-V149 HydrophobicContact SD-CB 4.44Å; M96-V149 HydrophobicContact SD-CG2 3.86Å |
| 97 | T | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 47% | 0.466 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | D95 E100 Q101 | D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 2.88Å; D95-T97 WeakPolarHBondContact OD1-CA 3.36Å; D95-T97 VanDerWaalsContact OD1-CB 3.27Å; D95-T97 WeakPolarHBondContact OD1-CB 3.19Å; D95-T97 PolarHBondContact OD1-N 3.21Å; T97-E100 PolarHBondContact O-N 3.49Å; T97-Q101 HydrophobicContact CG2-CG 4.4Å; T97-Q101 WeakPolarHBondContact O-CB 3.27Å; T97-Q101 VanDerWaalsContact O-CG 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 3.29Å |
| 98 | F | 98.8 | Very high | 98.6 | Very high | 25 Ų | 25 | 52 Ų | 52 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 171.1 | 171.1 | -98.9 | 0 | 0 | 0 | 111.5 | I89 A90 T92 M93 D95 E100 Q101 F102 | I89-F98 HydrophobicContact CG2-CE2 3.91Å; I89-F98 HydrophobicContact CG2-CZ 4.21Å; A90-F98 WeakPolarHBondContact O-CE2 3.45Å; T92-F98 WeakPolarHBondContact O-CD1 3.23Å; M93-F98 HydrophobicContact CE-CE1 4.03Å; M93-F98 HydrophobicContact SD-CD1 4.26Å; M93-F98 HydrophobicContact SD-CE1 4.17Å; D95-F98 HydrophobicContact CB-CB 3.88Å; D95-F98 WeakPolarHBondContact O-CB 3.35Å; D95-F98 PolarHBondContact O-N 2.9Å; D95-F98 PolarHBondContact OD1-N 2.87Å; D95-F98 VanDerWaalsContact OD1-N 3.09Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 3.12Å; F98-Q101 PolarHBondContact O-N 3.15Å; F98-F102 HydrophobicContact CE1-CB 4.23Å; F98-F102 HydrophobicContact CE2-CB 4.33Å; F98-F102 HydrophobicContact CZ-CB 4.05Å; F98-F102 HydrophobicContact CZ-CD2 4.45Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.48Å; F98-F102 PolarHBondContact O-N 3.48Å |
| 99 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | M93 D95 M96 V149 L150 | M93-A99 HydrophobicContact SD-CB 4.02Å; D95-A99 PolarHBondContact O-N 3.47Å; M96-A99 PolarHBondContact O-N 2.99Å; A99-V149 HydrophobicContact CB-CB 4.46Å; A99-V149 HydrophobicContact CB-CG1 3.94Å; A99-L150 HydrophobicContact CB-CD2 4.04Å; A99-L150 HydrophobicContact CB-CG 4.15Å; A99-L150 VanDerWaalsContact O-CD2 3.24Å; A99-L150 WeakPolarHBondContact O-CD2 3.3Å |
| 100 | E | 98.2 | Very high | 98.6 | Very high | 116 Ų | 116 | 52.4 Ų | 52.4 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -52.2 | 175.9 | -176.3 | -179.6 | -170.9 | 0 | 0 | 112.3 | M96 T97 F98 F102 V103 A104 V149 A153 | M96-E100 PolarHBondContact O-N 3.47Å; T97-E100 PolarHBondContact O-N 3.49Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 3.12Å; E100-F102 VanDerWaalsContact C-N 3.31Å; E100-F102 PolarHBondContact O-N 3.43Å; E100-V103 PolarHBondContact O-N 3.35Å; E100-A104 PolarHBondContact O-N 3.44Å; E100-V149 HydrophobicContact CB-CG1 4.12Å; E100-A153 HydrophobicContact CG-CB 4.38Å |
| 101 | Q | 98.5 | Very high | 98.5 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.8 | -36.3 | -177.5 | -71.1 | 177.2 | 2 | 0 | 0 | 112.6 | T97 F98 V103 A104 Q105 | T97-Q101 HydrophobicContact CG2-CG 4.4Å; T97-Q101 WeakPolarHBondContact O-CB 3.27Å; T97-Q101 VanDerWaalsContact O-CG 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 3.29Å; F98-Q101 PolarHBondContact O-N 3.15Å; Q101-V103 VanDerWaalsContact C-N 3.33Å; Q101-V103 PolarHBondContact O-N 2.85Å; Q101-A104 PolarHBondContact O-N 3.09Å; Q101-Q105 WeakPolarHBondContact O-CB 3.37Å; Q101-Q105 PolarHBondContact O-N 2.91Å |
| 102 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.2 | -48 | 177.7 | 161.7 | -112.2 | 0 | 0 | 0 | 111.6 | I38 T40 V62 T64 I89 M93 F98 E100 Q105 A106 L150 | I38-F102 HydrophobicContact CD1-CE1 4.42Å; I38-F102 HydrophobicContact CD1-CZ 4.49Å; I38-F102 HydrophobicContact CG1-CZ 4.41Å; I38-F102 HydrophobicContact CG2-CE1 3.6Å; I38-F102 HydrophobicContact CG2-CZ 3.64Å; T40-F102 HydrophobicContact CG2-CE1 4.24Å; V62-F102 HydrophobicContact CG1-CE2 3.91Å; V62-F102 HydrophobicContact CG1-CZ 4.33Å; T64-F102 HydrophobicContact CG2-CD1 4.25Å; T64-F102 HydrophobicContact CG2-CD2 4.42Å; T64-F102 HydrophobicContact CG2-CE1 3.6Å; T64-F102 HydrophobicContact CG2-CE2 3.81Å; T64-F102 HydrophobicContact CG2-CZ 3.35Å; I89-F102 HydrophobicContact CB-CD2 3.73Å; I89-F102 HydrophobicContact CB-CE2 4.01Å; I89-F102 HydrophobicContact CD1-CD2 3.72Å; I89-F102 HydrophobicContact CD1-CE2 3.98Å; I89-F102 HydrophobicContact CG1-CD2 4.29Å; I89-F102 HydrophobicContact CG1-CE2 4.43Å; I89-F102 HydrophobicContact CG2-CD2 4.01Å; M93-F102 HydrophobicContact CE-CD1 4.08Å; M93-F102 HydrophobicContact CE-CE1 4.33Å; F98-F102 HydrophobicContact CE1-CB 4.23Å; F98-F102 HydrophobicContact CE2-CB 4.33Å; F98-F102 HydrophobicContact CZ-CB 4.05Å; F98-F102 HydrophobicContact CZ-CD2 4.45Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.48Å; F98-F102 PolarHBondContact O-N 3.48Å; E100-F102 VanDerWaalsContact C-N 3.31Å; E100-F102 PolarHBondContact O-N 3.43Å; F102-Q105 PolarHBondContact O-N 3.1Å; F102-A106 HydrophobicContact CE2-CB 4.27Å; F102-A106 HydrophobicContact CZ-CB 4.47Å; F102-A106 VanDerWaalsContact O-CB 3.26Å; F102-A106 WeakPolarHBondContact O-CB 3.34Å; F102-A106 PolarHBondContact O-N 3.06Å; F102-L150 HydrophobicContact CD1-CD2 3.73Å; F102-L150 HydrophobicContact CE1-CD2 4.28Å |
| 103 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | -177.8 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I38 E100 Q101 Q105 A106 G107 L150 A153 A154 M157 | I38-V103 HydrophobicContact CD1-CG1 4.47Å; E100-V103 PolarHBondContact O-N 3.35Å; Q101-V103 VanDerWaalsContact C-N 3.33Å; Q101-V103 PolarHBondContact O-N 2.85Å; V103-Q105 PolarHBondContact O-N 2.93Å; V103-A106 PolarHBondContact O-N 2.85Å; V103-G107 PolarHBondContact O-N 2.82Å; V103-L150 HydrophobicContact CG2-CB 4.37Å; V103-L150 HydrophobicContact CG2-CD2 3.44Å; V103-L150 VanDerWaalsContact CG2-CD2 3.44Å; V103-A153 HydrophobicContact CB-CB 3.86Å; V103-A153 HydrophobicContact CG1-CB 4.02Å; V103-A153 HydrophobicContact CG2-CB 4.25Å; V103-A154 HydrophobicContact CG1-CB 3.79Å; V103-M157 HydrophobicContact CG1-CE 3.71Å |
| 104 | A | 98.1 | Very high | 98.6 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E100 Q101 G107 K108 | E100-A104 PolarHBondContact O-N 3.44Å; Q101-A104 PolarHBondContact O-N 3.09Å; A104-G107 PolarHBondContact O-N 2.89Å; A104-K108 PolarHBondContact O-N 2.73Å |
| 105 | Q | 98.7 | Very high | 98.6 | Very high | 104 Ų | 104 | 48.2 Ų | 48.2 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 178.2 | -172.3 | 179.7 | 7.4 | 0 | 0 | 112.1 | I89 Q101 F102 V103 G107 K108 L109 | I89-Q105 HydrophobicContact CD1-CB 3.76Å; I89-Q105 HydrophobicContact CD1-CG 3.65Å; Q101-Q105 WeakPolarHBondContact O-CB 3.37Å; Q101-Q105 PolarHBondContact O-N 2.91Å; F102-Q105 PolarHBondContact O-N 3.1Å; V103-Q105 PolarHBondContact O-N 2.93Å; Q105-G107 VanDerWaalsContact C-N 3.35Å; Q105-K108 PolarHBondContact O-N 3.15Å; Q105-L109 WeakPolarHBondContact O-CG 3.24Å; Q105-L109 PolarHBondContact O-N 3.22Å |
| 106 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I38 V62 I89 F102 V103 K108 L109 M110 | I38-A106 HydrophobicContact CD1-CB 3.55Å; I38-A106 HydrophobicContact CG1-CB 3.88Å; V62-A106 HydrophobicContact CB-CB 4Å; V62-A106 HydrophobicContact CG1-CB 3.67Å; V62-A106 HydrophobicContact CG2-CB 4.15Å; I89-A106 HydrophobicContact CD1-CB 4.35Å; F102-A106 HydrophobicContact CE2-CB 4.27Å; F102-A106 HydrophobicContact CZ-CB 4.47Å; F102-A106 VanDerWaalsContact O-CB 3.26Å; F102-A106 WeakPolarHBondContact O-CB 3.34Å; F102-A106 PolarHBondContact O-N 3.06Å; V103-A106 PolarHBondContact O-N 2.85Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.34Å; A106-L109 PolarHBondContact O-N 2.8Å; A106-M110 PolarHBondContact O-N 3.01Å; A106-M110 VanDerWaalsContact O-N 3.13Å |
| 107 | G | 98 | Very high | 98.6 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V103 A104 Q105 G111 G112 M157 | V103-G107 PolarHBondContact O-N 2.82Å; A104-G107 PolarHBondContact O-N 2.89Å; Q105-G107 VanDerWaalsContact C-N 3.35Å; G107-G111 CarbonylContact O-C 3.15Å; G107-G111 VanDerWaalsContact O-CA 3.3Å; G107-G111 WeakPolarHBondContact O-CA 3.31Å; G107-G111 PolarHBondContact O-N 3.24Å; G107-G112 PolarHBondContact O-N 2.84Å; G107-M157 VanDerWaalsContact CA-SD 3.54Å |
| 108 | K | 98.6 | Very high | 98.6 | Very high | 184 Ų | 184 | 39 Ų | 39 | 80% | 0.8 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65 | -41.4 | 174.7 | -174.7 | 178 | 178.7 | 179.6 | 0 | 112.4 | A104 Q105 A106 | A104-K108 PolarHBondContact O-N 2.73Å; Q105-K108 PolarHBondContact O-N 3.15Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.34Å |
| 109 | L | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.3 | -72.7 | 168.6 | 0 | 0 | 0 | 112.4 | H87 I89 Q105 A106 | H87-L109 HydrophobicContact CB-CD1 3.98Å; I89-L109 HydrophobicContact CD1-CD1 4.18Å; I89-L109 HydrophobicContact CG1-CD1 4.47Å; Q105-L109 WeakPolarHBondContact O-CG 3.24Å; Q105-L109 PolarHBondContact O-N 3.22Å; A106-L109 PolarHBondContact O-N 2.8Å |
| 110 | M | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -94.1 | -9.6 | -178.3 | -62.8 | -172.2 | -68.6 | 0 | 0 | 113.8 | K36 I38 H60 V62 A106 L113 | K36-M110 HydrophobicContact CB-CB 4.01Å; K36-M110 HydrophobicContact CB-CE 4.13Å; K36-M110 HydrophobicContact CB-SD 3.84Å; K36-M110 HydrophobicContact CD-CB 4.15Å; K36-M110 VanDerWaalsContact CD-O 3.28Å; K36-M110 WeakPolarHBondContact CD-O 3.44Å; K36-M110 WeakPolarHBondContact CE-O 3.43Å; K36-M110 HydrophobicContact CG-CB 3.96Å; K36-M110 PolarHBondContact NZ-O 3.35Å; I38-M110 HydrophobicContact CG1-CE 3.97Å; H60-M110 HydrophobicContact CB-CG 4.19Å; H60-M110 HydrophobicContact CB-SD 3.97Å; V62-M110 HydrophobicContact CB-CE 4.26Å; V62-M110 HydrophobicContact CB-SD 4.43Å; V62-M110 HydrophobicContact CG2-CE 3.81Å; V62-M110 HydrophobicContact CG2-CG 3.7Å; V62-M110 HydrophobicContact CG2-SD 3.68Å; A106-M110 PolarHBondContact O-N 3.01Å; A106-M110 VanDerWaalsContact O-N 3.13Å; M110-L113 HydrophobicContact CE-CD1 3.77Å |
| 111 | G | 98.3 | Very high | 98.7 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 58% | 0.577 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 40.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K36 G107 | K36-G111 PolarHBondContact NZ-O 3.24Å; G107-G111 CarbonylContact O-C 3.15Å; G107-G111 VanDerWaalsContact O-CA 3.3Å; G107-G111 WeakPolarHBondContact O-CA 3.31Å; G107-G111 PolarHBondContact O-N 3.24Å |
| 112 | G | 98.5 | Very high | 98.7 | Very high | 13 Ų | 13 | 32 Ų | 32 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 136.2 | -173.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G107 | G107-G112 PolarHBondContact O-N 2.84Š|
| 113 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -150.6 | 126.6 | 180 | -172.4 | 66 | 0 | 0 | 0 | 110.6 | I38 M110 M115 L116 A154 M157 L158 S161 | I38-L113 HydrophobicContact CB-CD1 4.12Å; I38-L113 HydrophobicContact CD1-CD1 3.65Å; I38-L113 HydrophobicContact CD1-CD2 3.98Å; I38-L113 HydrophobicContact CD1-CG 4.48Å; I38-L113 HydrophobicContact CG1-CD1 3.63Å; M110-L113 HydrophobicContact CE-CD1 3.77Å; L113-M115 WeakPolarHBondContact CD1-O 3.29Å; L113-L116 HydrophobicContact CD2-CB 4.33Å; L113-A154 HydrophobicContact CD2-CB 3.74Å; L113-M157 HydrophobicContact CB-CB 3.8Å; L113-M157 HydrophobicContact CB-CE 4.27Å; L113-M157 HydrophobicContact CB-SD 4.16Å; L113-M157 HydrophobicContact CD2-CE 4.33Å; L113-L158 HydrophobicContact CB-CD2 4.5Å; L113-L158 HydrophobicContact CD2-CD2 4.04Å; L113-L158 HydrophobicContact CD2-CG 4.15Å; L113-L158 HydrophobicContact CG-CD2 3.95Å; L113-S161 WeakPolarHBondContact O-CB 3.31Å; L113-S161 PolarHBondContact O-OG 3.1Å | ||
| 114 | D | 98.9 | Very high | 98.3 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -102.4 | -34.2 | 175.6 | -66.9 | -86.9 | 0 | 0 | 0 | 111.9 | K35 K36 G163 S164 | K35-D114 HydrophobicContact CB-CB 4.23Å; K35-D114 HydrophobicContact CD-CB 3.86Å; K35-D114 IonicContact NZ-OD1 2.66Å; K35-D114 PolarHBondContact NZ-OD1 2.94Å; K35-D114 VanDerWaalsContact NZ-OD1 3.1Å; K36-D114 WeakPolarHBondContact CB-OD2 3.4Å; K36-D114 PolarHBondContact N-OD2 2.88Å; K36-D114 PolarHBondContact O-N 2.94Å; D114-G163 CarbonylContact O-C 3.56Å; D114-G163 WeakPolarHBondContact O-CA 3.44Å; D114-S164 PolarHBondContact O-N 2.98Å |
| 115 | M | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.9 | -178.4 | -171.7 | 178.9 | -69.5 | 0 | 0 | 112.3 | L32 K36 V37 I38 L113 I117 S164 V166 A250 | L32-M115 HydrophobicContact CD1-CE 4.16Å; K36-M115 PolarHBondContact O-N 3.09Å; K36-M115 VanDerWaalsContact O-N 3.1Å; V37-M115 WeakPolarHBondContact CA-O 3.38Å; V37-M115 HydrophobicContact CB-CB 4.48Å; V37-M115 HydrophobicContact CG1-CB 4Å; V37-M115 HydrophobicContact CG1-CG 4.3Å; V37-M115 HydrophobicContact CG1-SD 4.5Å; V37-M115 HydrophobicContact CG2-CB 4.06Å; I38-M115 PolarHBondContact N-O 3.45Å; L113-M115 WeakPolarHBondContact CD1-O 3.29Å; M115-I117 HydrophobicContact CG-CG1 3.97Å; M115-I117 HydrophobicContact SD-CD1 3.94Å; M115-I117 HydrophobicContact SD-CG1 4.01Å; M115-S164 CarbonylContact C-O 3.53Å; M115-S164 VanDerWaalsContact CA-O 3.3Å; M115-S164 WeakPolarHBondContact CA-O 3.4Å; M115-V166 HydrophobicContact CG-CG2 4.11Å; M115-V166 HydrophobicContact SD-CG2 3.97Å; M115-A250 HydrophobicContact CE-CB 4.33Å |
| 116 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.4 | 173.9 | 176.8 | 65.4 | 0 | 0 | 0 | 109.8 | I38 L113 L118 L150 A154 L158 S164 V166 | I38-L116 HydrophobicContact CB-CD1 3.89Å; I38-L116 HydrophobicContact CD1-CD1 4.31Å; I38-L116 HydrophobicContact CG2-CD1 3.6Å; L113-L116 HydrophobicContact CD2-CB 4.33Å; L116-L118 HydrophobicContact CD1-CD2 3.88Å; L116-L118 HydrophobicContact CD2-CD1 4.24Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.14Å; L116-L118 HydrophobicContact CG-CD2 3.75Å; L116-L118 HydrophobicContact CG-CG 3.97Å; L116-L150 HydrophobicContact CD2-CB 4.48Å; L116-A154 HydrophobicContact CD2-CB 3.66Å; L116-L158 HydrophobicContact CB-CD1 4.24Å; L116-S164 PolarHBondContact N-O 2.71Å; L116-V166 PolarHBondContact O-N 2.84Å |
| 117 | I | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 107.7 | 177.4 | -50.8 | -173.9 | 0 | 0 | 0 | 110.6 | V37 I38 V39 T40 M50 L54 M115 N119 V166 | V37-I117 HydrophobicContact CG1-CD1 3.94Å; V37-I117 HydrophobicContact CG1-CG1 4.05Å; I38-I117 WeakPolarHBondContact O-CB 3.3Å; I38-I117 PolarHBondContact O-N 3.37Å; V39-I117 HydrophobicContact CG1-CB 4.41Å; V39-I117 HydrophobicContact CG1-CG2 4.4Å; V39-I117 HydrophobicContact CG2-CB 4.45Å; V39-I117 HydrophobicContact CG2-CD1 4.22Å; T40-I117 PolarHBondContact N-O 3.04Å; T40-I117 PolarHBondContact OG1-O 2.89Å; M50-I117 HydrophobicContact CE-CG2 3.63Å; M50-I117 HydrophobicContact SD-CD1 4.31Å; M50-I117 HydrophobicContact SD-CG2 3.74Å; L54-I117 HydrophobicContact CD1-CD1 4.08Å; M115-I117 HydrophobicContact CG-CG1 3.97Å; M115-I117 HydrophobicContact SD-CD1 3.94Å; M115-I117 HydrophobicContact SD-CG1 4.01Å; I117-N119 HydrophobicContact CG2-CB 4.39Å; I117-V166 HydrophobicContact CB-CB 4.47Å; I117-V166 HydrophobicContact CG1-CB 4.16Å; I117-V166 HydrophobicContact CG1-CG2 4.4Å; I117-V166 HydrophobicContact CG2-CB 4.32Å; I117-V166 HydrophobicContact CG2-CG1 4.33Å |
| 118 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 100.1 | 179.6 | -55.5 | 177.4 | 0 | 0 | 0 | 110.1 | T40 L116 Y147 L150 I165 V166 V167 V168 F194 | T40-L118 HydrophobicContact CG2-CD2 4.38Å; T40-L118 WeakPolarHBondContact OG1-CA 3.18Å; L116-L118 HydrophobicContact CD1-CD2 3.88Å; L116-L118 HydrophobicContact CD2-CD1 4.24Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.14Å; L116-L118 HydrophobicContact CG-CD2 3.75Å; L116-L118 HydrophobicContact CG-CG 3.97Å; L118-Y147 HydrophobicContact CB-CD1 4.4Å; L118-Y147 HydrophobicContact CB-CD2 3.35Å; L118-Y147 HydrophobicContact CB-CE1 4.35Å; L118-Y147 HydrophobicContact CB-CE2 3.29Å; L118-Y147 HydrophobicContact CB-CG 3.93Å; L118-Y147 HydrophobicContact CD1-CD2 3.75Å; L118-Y147 HydrophobicContact CD1-CG 3.96Å; L118-Y147 HydrophobicContact CG-CD2 4.14Å; L118-Y147 HydrophobicContact CG-CE2 4.5Å; L118-Y147 HydrophobicContact CG-CG 4.42Å; L118-Y147 WeakPolarHBondContact O-CE2 3.35Å; L118-Y147 PolarHBondContact O-OH 3.15Å; L118-Y147 VanDerWaalsContact O-OH 3.07Å; L118-L150 HydrophobicContact CD2-CB 3.8Å; L118-L150 HydrophobicContact CD2-CD1 3.53Å; L118-L150 HydrophobicContact CD2-CG 4.29Å; L118-I165 HydrophobicContact CD1-CG2 4.13Å; L118-V166 PolarHBondContact N-O 3.01Å; L118-V167 HydrophobicContact CD1-CG2 4.41Å; L118-V168 PolarHBondContact O-N 3.03Å; L118-F194 HydrophobicContact CD1-CE1 4.42Å; L118-F194 HydrophobicContact CD1-CZ 3.93Å |
| 119 | N | 98.9 | Very high | 97.3 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | trans | -127.8 | -20.6 | -169.1 | 162.5 | 84.2 | 0 | 0 | 0 | 115.2 | T40 G41 G47 M50 I117 Y147 V168 | T40-N119 WeakPolarHBondContact O-CB 3.29Å; T40-N119 PolarHBondContact O-ND2 3.03Å; T40-N119 PolarHBondContact OG1-N 3.33Å; G41-N119 PolarHBondContact O-ND2 3.29Å; G47-N119 WeakPolarHBondContact CA-ND2 3.39Å; M50-N119 HydrophobicContact CE-CB 3.74Å; I117-N119 HydrophobicContact CG2-CB 4.39Å; N119-Y147 VanDerWaalsContact CA-OH 3.22Å; N119-Y147 WeakPolarHBondContact CA-OH 3.42Å; N119-Y147 PolarHBondContact N-OH 3.39Å; N119-Y147 VanDerWaalsContact N-OH 3.15Å; N119-V168 HydrophobicContact CB-CB 4.21Å; N119-V168 HydrophobicContact CB-CG2 3.77Å | ||
| 120 | H | 98.8 | Very high | 97 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 7% | 0.069 | 26% | 0.257 | C | S | . | . | trans | -65.8 | 149.8 | -176.3 | 65.9 | -83.6 | 0 | 0 | 0 | 113.7 | T40 M93 V142 S146 Y147 | T40-H120 WeakPolarHBondContact CB-ND1 3.45Å; T40-H120 PolarHBondContact OG1-N 3.47Å; T40-H120 PolarHBondContact OG1-ND1 3.04Å; M93-H120 VanDerWaalsContact CB-CD2 3.49Å; M93-H120 WeakPolarHBondContact CB-CD2 3.25Å; M93-H120 WeakPolarHBondContact CB-NE2 3.26Å; M93-H120 VanDerWaalsContact CG-NE2 3.29Å; M93-H120 WeakPolarHBondContact CG-NE2 3.24Å; H120-V142 PolarHBondContact CD2-O 3.32Å; H120-V142 PolarHBondContact NE2-O 3.48Å; H120-V142 VanDerWaalsContact NE2-O 3.07Å; H120-S146 PolarHBondContact NE2-OG 2.65Å; H120-Y147 AromaticContact CD2-CE1 3.99Å; H120-Y147 AromaticContact CE1-CD1 3.56Å; H120-Y147 AromaticContact CE1-CE1 3.31Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.21Å; H120-Y147 PolarHBondContact N-OH 2.89Å; H120-Y147 AromaticContact ND1-CE1 3.65Å; H120-Y147 AromaticContact NE2-CD1 3.79Å; H120-Y147 AromaticContact NE2-CE1 3.54Å; H120-Y147 WeakPolarHBondContact O-CE1 3.45Å; H120-Y147 PolarHBondContact O-OH 3.26Å | ||
| 121 | I | 98.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 36% | 0.359 | 29% | 0.286 | S | S | . | . | trans | -137.2 | 157.4 | 168.4 | 59.4 | 169.3 | 0 | 0 | 0 | 109.9 | N143 Y183 | I121-N143 WeakPolarHBondContact CA-OD1 3.22Å; I121-N143 WeakPolarHBondContact CB-OD1 3.28Å; I121-N143 HydrophobicContact CG2-CB 4.44Å; I121-Y183 HydrophobicContact CD1-CE2 4.08Å; I121-Y183 HydrophobicContact CG2-CE2 4.37Å | ||
| 122 | T | 98.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | trans | -63.6 | 161 | 162.9 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | T124 K138 N143 | T122-T124 PolarHBondContact O-N 3.47Å; T122-T124 PolarHBondContact O-OG1 3.07Å; T122-K138 VanDerWaalsContact OG1-CE 3.23Å; T122-K138 WeakPolarHBondContact OG1-CE 3.32Å; T122-N143 PolarHBondContact N-OD1 3.48Å | ||
| 123 | N | 95.8 | Very high | 96.1 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | trans | -63.9 | 128.3 | 174.7 | -67.6 | -15.1 | 0 | 0 | 0 | 109.4 | R66 H135 | R66-N123 PolarHBondContact NH2-OD1 2.86Å; N123-H135 PolarHBondContact O-CE1 3.02Å | ||
| 124 | T | 93.1 | Very high | 96 | Very high | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | trans | -127.6 | 141 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | T122 Y183 | T122-T124 PolarHBondContact O-N 3.47Å; T122-T124 PolarHBondContact O-OG1 3.07Å; T124-Y183 HydrophobicContact CG2-CG 4.38Å | ||
| 125 | S | 91.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | trans | -127.4 | 160.9 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | N127 | S125-N127 PolarHBondContact O-N 3.02Å; S125-N127 PolarHBondContact OG-ND2 3.47Å | ||
| 126 | L | 94.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 12% | 0.12 | 34% | 0.341 | C | S | . | . | trans | -82.3 | 109.7 | 178.2 | -59.8 | -177.5 | 0 | 0 | 0 | 109.6 | M179 V180 A226 V227 I230 I231 | L126-M179 HydrophobicContact CB-CB 4.13Å; L126-M179 HydrophobicContact CB-CE 3.83Å; L126-M179 HydrophobicContact CB-SD 4.45Å; L126-M179 HydrophobicContact CD2-CB 4.44Å; L126-V180 HydrophobicContact CD2-CG1 3.41Å; L126-V180 VanDerWaalsContact CD2-CG1 3.41Å; L126-A226 WeakPolarHBondContact CD1-O 3.34Å; L126-V227 HydrophobicContact CD1-CG1 4.3Å; L126-I230 HydrophobicContact CB-CD1 4Å; L126-I230 HydrophobicContact CB-CG2 4.49Å; L126-I230 HydrophobicContact CD1-CB 4.01Å; L126-I230 HydrophobicContact CD1-CD1 4.13Å; L126-I230 HydrophobicContact CD1-CG2 3.73Å; L126-I231 HydrophobicContact CD1-CD1 3.59Å; L126-I231 HydrophobicContact CD1-CG1 3.86Å; L126-I231 HydrophobicContact CD2-CD1 4.47Å | ||
| 127 | N | 94.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | trans | -143.8 | 144.8 | 175.7 | -69.4 | -65.5 | 0 | 0 | 0 | 110.5 | S125 F129 M179 | S125-N127 PolarHBondContact O-N 3.02Å; S125-N127 PolarHBondContact OG-ND2 3.47Å; N127-F129 PolarHBondContact O-N 3.28Å; N127-M179 PolarHBondContact N-O 3.46Å; N127-M179 CarbonylContact O-C 3.37Å; N127-M179 WeakPolarHBondContact O-CA 3.31Å | ||
| 128 | L | 96.2 | Very high | 95.8 | Very high | 141 Ų | 141 | 75.7 Ų | 75.7 | 74% | 0.738 | 38% | 0.38 | S | S | * | . | trans | -57.8 | 137.3 | 163.7 | -66.6 | 177.5 | 0 | 0 | 0 | 108.7 | H130 M179 | L128-H130 PolarHBondContact O-N 2.92Å; L128-M179 HydrophobicContact CD2-CG 4.33Å | ||
| 129 | F | 95.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 75.7 Ų | 75.7 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | trans | -68.4 | 124.8 | 179.4 | 176.8 | -101.2 | 0 | 0 | 0 | 109.8 | N127 I133 V136 A181 | N127-F129 PolarHBondContact O-N 3.28Å; F129-I133 HydrophobicContact CZ-CD1 4.34Å; F129-V136 HydrophobicContact CD2-CG2 4.45Å; F129-V136 HydrophobicContact CE2-CG2 3.65Å; F129-V136 HydrophobicContact CZ-CG2 4.37Å; F129-A181 HydrophobicContact CB-CB 4.25Å | ||
| 130 | H | 92.4 | Very high | 95.8 | Very high | 153 Ų | 153 | 77.4 Ų | 77.4 | 71% | 0.708 | 39% | 0.388 | S | S | * | . | trans | -146.4 | 101.3 | 174.1 | -173.7 | 53.8 | 0 | 0 | 0 | 109.7 | L128 D132 | L128-H130 PolarHBondContact O-N 2.92Å; H130-D132 PolarHBondContact O-N 3.43Å | ||
| 131 | D | 84.8 | Confident | 95.8 | Very high | 125 Ų | 125 | 80 Ų | 80 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 47.9 | 13 | 170.9 | -58.9 | -28.2 | 0 | 0 | 0 | 118.6 | I133 | D131-I133 VanDerWaalsContact C-N 3.28Å; D131-I133 PolarHBondContact O-N 3.46Å |
| 132 | D | 93.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 77.1 Ų | 77.1 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | trans | -82.4 | 68.3 | 178 | -167.5 | -7.5 | 0 | 0 | 0 | 112.3 | H130 H134 H135 V136 | H130-D132 PolarHBondContact O-N 3.43Å; D132-H134 PolarHBondContact O-N 3.21Å; D132-H134 PolarHBondContact OD1-N 2.93Å; D132-H135 HydrophobicContact CB-CB 4.27Å; D132-H135 PolarHBondContact O-N 3.28Å; D132-H135 WeakPolarHBondContact OD1-CB 3.3Å; D132-H135 PolarHBondContact OD1-N 3.46Å; D132-H135 WeakPolarHBondContact OD2-CB 3.38Å; D132-V136 WeakPolarHBondContact O-CG2 3.22Å; D132-V136 PolarHBondContact O-N 3.45Å | ||
| 133 | I | 97 | Very high | 95.8 | Very high | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -28.8 | 176.5 | -61.8 | -58.8 | 0 | 0 | 0 | 111.7 | F129 D131 V136 R137 | F129-I133 HydrophobicContact CZ-CD1 4.34Å; D131-I133 VanDerWaalsContact C-N 3.28Å; D131-I133 PolarHBondContact O-N 3.46Å; I133-V136 PolarHBondContact O-N 3.28Å; I133-R137 PolarHBondContact O-N 3.37Å |
| 134 | H | 97.3 | Very high | 96 | Very high | 148 Ų | 148 | 73.5 Ų | 73.5 | 69% | 0.685 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 176.4 | -73.7 | -72.7 | 0 | 0 | 0 | 111.3 | D132 R137 K138 | D132-H134 PolarHBondContact O-N 3.21Å; D132-H134 PolarHBondContact OD1-N 2.93Å; H134-R137 PolarHBondContact O-N 2.86Å; H134-K138 VanDerWaalsContact O-CB 3.29Å; H134-K138 WeakPolarHBondContact O-CB 3.48Å; H134-K138 PolarHBondContact O-N 2.9Å |
| 135 | H | 97.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 75.4 Ų | 75.4 | 22% | 0.218 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 175.3 | -176.9 | 65.4 | 0 | 0 | 0 | 112.5 | N123 D132 S139 | N123-H135 PolarHBondContact O-CE1 3.02Å; D132-H135 HydrophobicContact CB-CB 4.27Å; D132-H135 PolarHBondContact O-N 3.28Å; D132-H135 WeakPolarHBondContact OD1-CB 3.3Å; D132-H135 PolarHBondContact OD1-N 3.46Å; D132-H135 WeakPolarHBondContact OD2-CB 3.38Å; H135-S139 VanDerWaalsContact O-CB 3.28Å; H135-S139 WeakPolarHBondContact O-CB 3.23Å; H135-S139 PolarHBondContact O-N 2.95Å; H135-S139 PolarHBondContact O-OG 3.32Å |
| 136 | V | 98.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 72.1 Ų | 72.1 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -53 | 173.4 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | F129 D132 I133 K138 S139 M140 A182 | F129-V136 HydrophobicContact CD2-CG2 4.45Å; F129-V136 HydrophobicContact CE2-CG2 3.65Å; F129-V136 HydrophobicContact CZ-CG2 4.37Å; D132-V136 WeakPolarHBondContact O-CG2 3.22Å; D132-V136 PolarHBondContact O-N 3.45Å; I133-V136 PolarHBondContact O-N 3.28Å; V136-K138 PolarHBondContact O-N 3.35Å; V136-S139 PolarHBondContact O-N 3.04Å; V136-M140 WeakPolarHBondContact O-CG 3.09Å; V136-M140 PolarHBondContact O-N 2.71Å; V136-A182 HydrophobicContact CB-CB 4.44Å; V136-A182 HydrophobicContact CG2-CB 3.93Å |
| 137 | R | 98.6 | Very high | 96.8 | Very high | 138 Ų | 138 | 71 Ų | 71 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -49.5 | 178.8 | -178.4 | 179.9 | -62 | 141.6 | 3.9 | 111.4 | I133 H134 S139 M140 E141 | I133-R137 PolarHBondContact O-N 3.37Å; H134-R137 PolarHBondContact O-N 2.86Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.43Å; R137-M140 PolarHBondContact O-N 2.94Å; R137-E141 WeakPolarHBondContact CD-OE1 3.19Å; R137-E141 HydrophobicContact CG-CG 4.32Å; R137-E141 WeakPolarHBondContact CG-OE1 3.31Å; R137-E141 WeakPolarHBondContact O-CG 3.37Å; R137-E141 PolarHBondContact O-N 3.08Å |
| 138 | K | 98.5 | Very high | 97 | Very high | 67 Ų | 67 | 67.4 Ų | 67.4 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 179.2 | -175.7 | 167.7 | 179.3 | 137 | 0 | 112.4 | E94 T122 H134 V136 V142 | E94-K138 VanDerWaalsContact CD-CE 3.43Å; E94-K138 VanDerWaalsContact OE1-CE 3.24Å; E94-K138 WeakPolarHBondContact OE1-CE 3.41Å; E94-K138 IonicContact OE1-NZ 2.68Å; E94-K138 PolarHBondContact OE1-NZ 3.05Å; E94-K138 WeakPolarHBondContact OE2-CE 3.11Å; E94-K138 IonicContact OE2-NZ 3.62Å; E94-K138 PolarHBondContact OE2-NZ 3.46Å; T122-K138 VanDerWaalsContact OG1-CE 3.23Å; T122-K138 WeakPolarHBondContact OG1-CE 3.32Å; H134-K138 VanDerWaalsContact O-CB 3.29Å; H134-K138 WeakPolarHBondContact O-CB 3.48Å; H134-K138 PolarHBondContact O-N 2.9Å; V136-K138 PolarHBondContact O-N 3.35Å; K138-V142 HydrophobicContact CG-CG2 4.29Å; K138-V142 WeakPolarHBondContact O-CB 3.49Å; K138-V142 WeakPolarHBondContact O-CG2 3.35Å; K138-V142 PolarHBondContact O-N 3.19Å |
| 139 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | H135 V136 R137 N143 | H135-S139 VanDerWaalsContact O-CB 3.28Å; H135-S139 WeakPolarHBondContact O-CB 3.23Å; H135-S139 PolarHBondContact O-N 2.95Å; H135-S139 PolarHBondContact O-OG 3.32Å; V136-S139 PolarHBondContact O-N 3.04Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.43Å; S139-N143 WeakPolarHBondContact O-CA 3.32Å; S139-N143 WeakPolarHBondContact O-CB 3.49Å; S139-N143 VanDerWaalsContact O-CG 3.26Å; S139-N143 PolarHBondContact O-N 3.35Å |
| 140 | M | 98.9 | Very high | 97.3 | Very high | 57 Ų | 57 | 57 Ų | 57 | 28% | 0.281 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 176.5 | -66.3 | -54.8 | -59.9 | 0 | 0 | 112.6 | V136 R137 F144 L145 A185 A189 | V136-M140 WeakPolarHBondContact O-CG 3.09Å; V136-M140 PolarHBondContact O-N 2.71Å; R137-M140 PolarHBondContact O-N 2.94Å; M140-F144 HydrophobicContact CE-CB 4.31Å; M140-F144 HydrophobicContact CE-CD1 3.92Å; M140-F144 HydrophobicContact CE-CG 4.21Å; M140-F144 WeakPolarHBondContact O-CB 3.44Å; M140-F144 PolarHBondContact O-N 3.38Å; M140-L145 PolarHBondContact O-N 3.23Å; M140-A185 HydrophobicContact SD-CB 4.4Å; M140-A189 HydrophobicContact CE-CB 3.83Å |
| 141 | E | 98.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -67 | -54.2 | 177.7 | -73.3 | 170.6 | -177.8 | 0 | 0 | 111.3 | M96 R137 L145 S146 | M96-E141 HydrophobicContact CE-CB 4.35Å; R137-E141 WeakPolarHBondContact CD-OE1 3.19Å; R137-E141 HydrophobicContact CG-CG 4.32Å; R137-E141 WeakPolarHBondContact CG-OE1 3.31Å; R137-E141 WeakPolarHBondContact O-CG 3.37Å; R137-E141 PolarHBondContact O-N 3.08Å; E141-L145 PolarHBondContact O-N 3.12Å; E141-S146 PolarHBondContact O-N 2.86Å |
| 142 | V | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -79.2 | -39.1 | -172.7 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | M93 E94 H120 K138 S146 | M93-V142 HydrophobicContact CB-CG1 4.36Å; E94-V142 HydrophobicContact CB-CG2 4.25Å; E94-V142 HydrophobicContact CG-CG2 3.29Å; H120-V142 PolarHBondContact CD2-O 3.32Å; H120-V142 PolarHBondContact NE2-O 3.48Å; H120-V142 VanDerWaalsContact NE2-O 3.07Å; K138-V142 HydrophobicContact CG-CG2 4.29Å; K138-V142 WeakPolarHBondContact O-CB 3.49Å; K138-V142 WeakPolarHBondContact O-CG2 3.35Å; K138-V142 PolarHBondContact O-N 3.19Å; V142-S146 PolarHBondContact O-OG 3.09Å |
| 143 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -92.1 | -12.4 | -172.5 | -50.4 | -12.6 | 0 | 0 | 0 | 112.4 | I121 T122 S139 S186 | I121-N143 WeakPolarHBondContact CA-OD1 3.22Å; I121-N143 WeakPolarHBondContact CB-OD1 3.28Å; I121-N143 HydrophobicContact CG2-CB 4.44Å; T122-N143 PolarHBondContact N-OD1 3.48Å; S139-N143 WeakPolarHBondContact O-CA 3.32Å; S139-N143 WeakPolarHBondContact O-CB 3.49Å; S139-N143 VanDerWaalsContact O-CG 3.26Å; S139-N143 PolarHBondContact O-N 3.35Å; N143-S186 WeakPolarHBondContact CB-OG 3.36Å; N143-S186 PolarHBondContact ND2-OG 2.99Å; N143-S186 VanDerWaalsContact ND2-OG 3.13Å |
| 144 | F | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -132.1 | -59.1 | -175.2 | 169.7 | -99.8 | 0 | 0 | 0 | 113 | M140 S146 Y147 V148 A189 L190 F193 | M140-F144 HydrophobicContact CE-CB 4.31Å; M140-F144 HydrophobicContact CE-CD1 3.92Å; M140-F144 HydrophobicContact CE-CG 4.21Å; M140-F144 WeakPolarHBondContact O-CB 3.44Å; M140-F144 PolarHBondContact O-N 3.38Å; F144-S146 PolarHBondContact O-N 3.42Å; F144-Y147 VanDerWaalsContact O-CB 3.3Å; F144-Y147 WeakPolarHBondContact O-CB 3.24Å; F144-Y147 PolarHBondContact O-N 3.43Å; F144-Y147 VanDerWaalsContact O-N 3.07Å; F144-V148 HydrophobicContact CE1-CG2 4.34Å; F144-V148 HydrophobicContact CE2-CG2 4.1Å; F144-V148 HydrophobicContact CZ-CG2 3.95Å; F144-V148 PolarHBondContact O-N 3.15Å; F144-V148 VanDerWaalsContact O-N 3.17Å; F144-A189 HydrophobicContact CD1-CB 4.4Å; F144-A189 HydrophobicContact CD2-CB 3.56Å; F144-A189 HydrophobicContact CE2-CB 3.82Å; F144-A189 WeakPolarHBondContact CE2-O 3.47Å; F144-A189 HydrophobicContact CG-CB 3.89Å; F144-A189 HydrophobicContact CZ-CB 4.34Å; F144-L190 HydrophobicContact CD2-CD2 3.95Å; F144-L190 HydrophobicContact CD2-CG 4.29Å; F144-F193 HydrophobicContact CE2-CB 3.64Å; F144-F193 HydrophobicContact CE2-CG 4.08Å; F144-F193 HydrophobicContact CZ-CB 4.08Å; F144-F193 HydrophobicContact CZ-CD2 4.29Å; F144-F193 HydrophobicContact CZ-CG 4.23Å |
| 145 | L | 98.9 | Very high | 98.7 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 39% | 0.393 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -64.8 | -42.7 | -173.1 | -173.5 | 61.6 | 0 | 0 | 0 | 111.9 | M96 M140 E141 Y147 V148 V149 | M96-L145 HydrophobicContact CG-CD2 4.45Å; M96-L145 HydrophobicContact SD-CB 4.4Å; M96-L145 HydrophobicContact SD-CD2 4.27Å; M96-L145 HydrophobicContact SD-CG 4.02Å; M140-L145 PolarHBondContact O-N 3.23Å; E141-L145 PolarHBondContact O-N 3.12Å; L145-Y147 PolarHBondContact O-N 2.91Å; L145-V148 WeakPolarHBondContact O-CB 3.4Å; L145-V148 PolarHBondContact O-N 3.24Å; L145-V148 VanDerWaalsContact O-N 3.09Å; L145-V149 WeakPolarHBondContact O-CG2 3.3Å; L145-V149 PolarHBondContact O-N 3.07Å |
| 146 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.7 | -36 | 174.1 | 69.9 | 0 | 0 | 0 | 0 | 112 | M93 H120 E141 V142 F144 V148 V149 L150 | M93-S146 WeakPolarHBondContact O-CB 3.29Å; H120-S146 PolarHBondContact NE2-OG 2.65Å; E141-S146 PolarHBondContact O-N 2.86Å; V142-S146 PolarHBondContact O-OG 3.09Å; F144-S146 PolarHBondContact O-N 3.42Å; S146-V148 VanDerWaalsContact C-N 3.34Å; S146-V148 PolarHBondContact O-N 2.74Å; S146-V149 PolarHBondContact O-N 2.8Å; S146-L150 WeakPolarHBondContact O-CB 3.45Å; S146-L150 WeakPolarHBondContact O-CD1 3.39Å; S146-L150 WeakPolarHBondContact O-CG 3.39Å; S146-L150 PolarHBondContact O-N 2.9Å |
| 147 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 177.7 | -80 | 43.7 | 0 | 0 | 0 | 110.4 | L118 N119 H120 F144 L145 T151 V167 L190 F194 | L118-Y147 HydrophobicContact CB-CD1 4.4Å; L118-Y147 HydrophobicContact CB-CD2 3.35Å; L118-Y147 HydrophobicContact CB-CE1 4.35Å; L118-Y147 HydrophobicContact CB-CE2 3.29Å; L118-Y147 HydrophobicContact CB-CG 3.93Å; L118-Y147 HydrophobicContact CD1-CD2 3.75Å; L118-Y147 HydrophobicContact CD1-CG 3.96Å; L118-Y147 HydrophobicContact CG-CD2 4.14Å; L118-Y147 HydrophobicContact CG-CE2 4.5Å; L118-Y147 HydrophobicContact CG-CG 4.42Å; L118-Y147 WeakPolarHBondContact O-CE2 3.35Å; L118-Y147 PolarHBondContact O-OH 3.15Å; L118-Y147 VanDerWaalsContact O-OH 3.07Å; N119-Y147 VanDerWaalsContact CA-OH 3.22Å; N119-Y147 WeakPolarHBondContact CA-OH 3.42Å; N119-Y147 PolarHBondContact N-OH 3.39Å; N119-Y147 VanDerWaalsContact N-OH 3.15Å; H120-Y147 AromaticContact CD2-CE1 3.99Å; H120-Y147 AromaticContact CE1-CD1 3.56Å; H120-Y147 AromaticContact CE1-CE1 3.31Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.21Å; H120-Y147 PolarHBondContact N-OH 2.89Å; H120-Y147 AromaticContact ND1-CE1 3.65Å; H120-Y147 AromaticContact NE2-CD1 3.79Å; H120-Y147 AromaticContact NE2-CE1 3.54Å; H120-Y147 WeakPolarHBondContact O-CE1 3.45Å; H120-Y147 PolarHBondContact O-OH 3.26Å; F144-Y147 VanDerWaalsContact O-CB 3.3Å; F144-Y147 WeakPolarHBondContact O-CB 3.24Å; F144-Y147 PolarHBondContact O-N 3.43Å; F144-Y147 VanDerWaalsContact O-N 3.07Å; L145-Y147 PolarHBondContact O-N 2.91Å; Y147-T151 WeakPolarHBondContact O-CB 3.2Å; Y147-T151 PolarHBondContact O-N 3.08Å; Y147-T151 PolarHBondContact O-OG1 2.69Å; Y147-T151 VanDerWaalsContact O-OG1 3.09Å; Y147-V167 HydrophobicContact CD2-CG1 3.99Å; Y147-V167 HydrophobicContact CE2-CG1 4.03Å; Y147-L190 HydrophobicContact CD2-CD1 4.16Å; Y147-L190 HydrophobicContact CD2-CD2 3.44Å; Y147-L190 VanDerWaalsContact CD2-CD2 3.44Å; Y147-L190 HydrophobicContact CD2-CG 4.48Å; Y147-L190 HydrophobicContact CE2-CD1 4.01Å; Y147-L190 HydrophobicContact CE2-CD2 4.14Å; Y147-L190 HydrophobicContact CG-CD2 3.88Å; Y147-F194 HydrophobicContact CD2-CE2 4.44Å |
| 148 | V | 98.9 | Very high | 98.8 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 15% | 0.145 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | F144 L145 S146 L150 T151 V152 F193 | F144-V148 HydrophobicContact CE1-CG2 4.34Å; F144-V148 HydrophobicContact CE2-CG2 4.1Å; F144-V148 HydrophobicContact CZ-CG2 3.95Å; F144-V148 PolarHBondContact O-N 3.15Å; F144-V148 VanDerWaalsContact O-N 3.17Å; L145-V148 WeakPolarHBondContact O-CB 3.4Å; L145-V148 PolarHBondContact O-N 3.24Å; L145-V148 VanDerWaalsContact O-N 3.09Å; S146-V148 VanDerWaalsContact C-N 3.34Å; S146-V148 PolarHBondContact O-N 2.74Å; V148-L150 PolarHBondContact O-N 2.79Å; V148-T151 PolarHBondContact O-N 2.83Å; V148-V152 WeakPolarHBondContact O-CG2 3.4Å; V148-V152 PolarHBondContact O-N 2.75Å; V148-F193 HydrophobicContact CB-CE1 4.29Å; V148-F193 HydrophobicContact CB-CZ 4.26Å; V148-F193 HydrophobicContact CG1-CE1 4.02Å; V148-F193 HydrophobicContact CG1-CE2 4.16Å; V148-F193 HydrophobicContact CG1-CZ 3.56Å; V148-F193 HydrophobicContact CG2-CD1 3.87Å; V148-F193 HydrophobicContact CG2-CD2 4.33Å; V148-F193 HydrophobicContact CG2-CE1 3.66Å; V148-F193 HydrophobicContact CG2-CE2 4.15Å; V148-F193 HydrophobicContact CG2-CG 4.21Å; V148-F193 HydrophobicContact CG2-CZ 3.82Å |
| 149 | V | 98.9 | Very high | 98.9 | Very high | 32 Ų | 32 | 33 Ų | 33 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | M96 A99 E100 L145 S146 T151 V152 A153 | M96-V149 HydrophobicContact CB-CG2 4.32Å; M96-V149 HydrophobicContact CG-CG2 4.4Å; M96-V149 HydrophobicContact SD-CB 4.44Å; M96-V149 HydrophobicContact SD-CG2 3.86Å; A99-V149 HydrophobicContact CB-CB 4.46Å; A99-V149 HydrophobicContact CB-CG1 3.94Å; E100-V149 HydrophobicContact CB-CG1 4.12Å; L145-V149 WeakPolarHBondContact O-CG2 3.3Å; L145-V149 PolarHBondContact O-N 3.07Å; S146-V149 PolarHBondContact O-N 2.8Å; V149-T151 VanDerWaalsContact C-N 3.33Å; V149-T151 PolarHBondContact O-N 2.66Å; V149-V152 PolarHBondContact O-N 3.32Å; V149-A153 PolarHBondContact O-N 3.07Å |
| 150 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.4 | -69.4 | 165.5 | 0 | 0 | 0 | 111.7 | T40 M93 A99 F102 V103 L116 L118 S146 V148 A153 A154 | T40-L150 HydrophobicContact CG2-CD1 4.13Å; M93-L150 HydrophobicContact CE-CD1 4.1Å; M93-L150 HydrophobicContact CE-CD2 4.23Å; M93-L150 HydrophobicContact SD-CD1 4.02Å; M93-L150 HydrophobicContact SD-CD2 4.39Å; A99-L150 HydrophobicContact CB-CD2 4.04Å; A99-L150 HydrophobicContact CB-CG 4.15Å; A99-L150 VanDerWaalsContact O-CD2 3.24Å; A99-L150 WeakPolarHBondContact O-CD2 3.3Å; F102-L150 HydrophobicContact CD1-CD2 3.73Å; F102-L150 HydrophobicContact CE1-CD2 4.28Å; V103-L150 HydrophobicContact CG2-CB 4.37Å; V103-L150 HydrophobicContact CG2-CD2 3.44Å; V103-L150 VanDerWaalsContact CG2-CD2 3.44Å; L116-L150 HydrophobicContact CD2-CB 4.48Å; L118-L150 HydrophobicContact CD2-CB 3.8Å; L118-L150 HydrophobicContact CD2-CD1 3.53Å; L118-L150 HydrophobicContact CD2-CG 4.29Å; S146-L150 WeakPolarHBondContact O-CB 3.45Å; S146-L150 WeakPolarHBondContact O-CD1 3.39Å; S146-L150 WeakPolarHBondContact O-CG 3.39Å; S146-L150 PolarHBondContact O-N 2.9Å; V148-L150 PolarHBondContact O-N 2.79Å; L150-A153 PolarHBondContact O-N 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.22Å; L150-A154 PolarHBondContact O-N 2.71Å |
| 151 | T | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 176.2 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | Y147 V148 V149 A153 A154 L155 I165 F194 I197 | Y147-T151 WeakPolarHBondContact O-CB 3.2Å; Y147-T151 PolarHBondContact O-N 3.08Å; Y147-T151 PolarHBondContact O-OG1 2.69Å; Y147-T151 VanDerWaalsContact O-OG1 3.09Å; V148-T151 PolarHBondContact O-N 2.83Å; V149-T151 VanDerWaalsContact C-N 3.33Å; V149-T151 PolarHBondContact O-N 2.66Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-A153 PolarHBondContact O-N 2.93Å; T151-A154 PolarHBondContact O-N 3.07Å; T151-L155 WeakPolarHBondContact O-CB 3.19Å; T151-L155 PolarHBondContact O-N 2.97Å; T151-I165 HydrophobicContact CG2-CD1 3.7Å; T151-F194 HydrophobicContact CG2-CE1 4.3Å; T151-F194 WeakPolarHBondContact OG1-CE1 3.44Å; T151-I197 HydrophobicContact CG2-CD1 4.31Å |
| 152 | V | 98.9 | Very high | 98.8 | Very high | 102 Ų | 102 | 40.4 Ų | 40.4 | 62% | 0.618 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58.8 | -47.7 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | V148 V149 A154 | V148-V152 WeakPolarHBondContact O-CG2 3.4Å; V148-V152 PolarHBondContact O-N 2.75Å; V149-V152 PolarHBondContact O-N 3.32Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 3.09Å |
| 153 | A | 98.8 | Very high | 98.8 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E100 V103 V149 L150 T151 | E100-A153 HydrophobicContact CG-CB 4.38Å; V103-A153 HydrophobicContact CB-CB 3.86Å; V103-A153 HydrophobicContact CG1-CB 4.02Å; V103-A153 HydrophobicContact CG2-CB 4.25Å; V149-A153 PolarHBondContact O-N 3.07Å; L150-A153 PolarHBondContact O-N 3.27Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-A153 PolarHBondContact O-N 2.93Å |
| 154 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -82.8 | -25.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V103 L113 L116 L150 T151 V152 P156 M157 L158 | V103-A154 HydrophobicContact CG1-CB 3.79Å; L113-A154 HydrophobicContact CD2-CB 3.74Å; L116-A154 HydrophobicContact CD2-CB 3.66Å; L150-A154 WeakPolarHBondContact O-CB 3.22Å; L150-A154 PolarHBondContact O-N 2.71Å; T151-A154 PolarHBondContact O-N 3.07Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 3.09Å; A154-P156 VanDerWaalsContact C-CD 3.44Å; A154-M157 PolarHBondContact O-N 2.98Å; A154-M157 VanDerWaalsContact O-N 3.09Å; A154-L158 HydrophobicContact CB-CD1 3.89Å; A154-L158 HydrophobicContact CB-CG 4.35Å; A154-L158 WeakPolarHBondContact O-CG 3.37Å; A154-L158 PolarHBondContact O-N 2.92Å |
| 155 | L | 98.8 | Very high | 98.9 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.1 | -39.8 | -169.3 | -174.4 | 61 | 0 | 0 | 0 | 114.2 | T151 M157 L158 K159 Y201 V208 | T151-L155 WeakPolarHBondContact O-CB 3.19Å; T151-L155 PolarHBondContact O-N 2.97Å; L155-M157 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-K159 HydrophobicContact CD1-CD 4.49Å; L155-K159 HydrophobicContact CD1-CG 4.12Å; L155-K159 HydrophobicContact CG-CD 4.2Å; L155-K159 HydrophobicContact CG-CG 4.28Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 WeakPolarHBondContact O-CG 3.2Å; L155-K159 PolarHBondContact O-N 3.3Å; L155-Y201 HydrophobicContact CD1-CE1 4.47Å; L155-Y201 HydrophobicContact CD1-CE2 3.94Å; L155-Y201 VanDerWaalsContact CD1-OH 3.24Å; L155-Y201 WeakPolarHBondContact CD1-OH 3.39Å; L155-Y201 HydrophobicContact CD2-CE1 4.34Å; L155-Y201 WeakPolarHBondContact CD2-OH 3.48Å; L155-V208 HydrophobicContact CD1-CG2 4.26Å |
| 156 | P | 98.8 | Very high | 98.9 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -58.8 | -44.6 | 176.7 | -25.6 | 35.9 | 0 | 0 | 0 | 113.1 | A154 K159 Q160 | A154-P156 VanDerWaalsContact C-CD 3.44Å; P156-K159 PolarHBondContact O-N 3.05Å; P156-Q160 PolarHBondContact O-N 3.41Å |
| 157 | M | 98.8 | Very high | 98.9 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 17% | 0.167 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.1 | -39.3 | 178.6 | -67.2 | -176.1 | -76.2 | 0 | 0 | 111.8 | V103 G107 L113 A154 L155 K159 Q160 S161 | V103-M157 HydrophobicContact CG1-CE 3.71Å; G107-M157 VanDerWaalsContact CA-SD 3.54Å; L113-M157 HydrophobicContact CB-CB 3.8Å; L113-M157 HydrophobicContact CB-CE 4.27Å; L113-M157 HydrophobicContact CB-SD 4.16Å; L113-M157 HydrophobicContact CD2-CE 4.33Å; A154-M157 PolarHBondContact O-N 2.98Å; A154-M157 VanDerWaalsContact O-N 3.09Å; L155-M157 PolarHBondContact O-N 3.5Å; M157-K159 VanDerWaalsContact C-N 3.35Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 3.42Å; M157-S161 PolarHBondContact O-N 2.95Å; M157-S161 VanDerWaalsContact O-N 3.09Å; M157-S161 PolarHBondContact O-OG 3.43Å |
| 158 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -36.5 | 177 | -66.4 | 172.4 | 0 | 0 | 0 | 111.9 | L113 L116 A154 L155 Q160 S161 N162 G163 I165 V208 | L113-L158 HydrophobicContact CB-CD2 4.5Å; L113-L158 HydrophobicContact CD2-CD2 4.04Å; L113-L158 HydrophobicContact CD2-CG 4.15Å; L113-L158 HydrophobicContact CG-CD2 3.95Å; L116-L158 HydrophobicContact CB-CD1 4.24Å; A154-L158 HydrophobicContact CB-CD1 3.89Å; A154-L158 HydrophobicContact CB-CG 4.35Å; A154-L158 WeakPolarHBondContact O-CG 3.37Å; A154-L158 PolarHBondContact O-N 2.92Å; L155-L158 PolarHBondContact O-N 3.09Å; L158-Q160 VanDerWaalsContact C-N 3.28Å; L158-Q160 PolarHBondContact O-N 3.17Å; L158-S161 PolarHBondContact O-N 3.46Å; L158-S161 PolarHBondContact O-OG 2.83Å; L158-N162 CarbonylContact O-C 3.56Å; L158-N162 WeakPolarHBondContact O-CA 3.3Å; L158-N162 PolarHBondContact O-N 3.21Å; L158-G163 PolarHBondContact O-N 2.87Å; L158-I165 HydrophobicContact CD1-CD1 4.08Å; L158-I165 HydrophobicContact CD1-CG1 3.56Å; L158-V208 HydrophobicContact CB-CG1 4.09Å; L158-V208 HydrophobicContact CB-CG2 3.95Å; L158-V208 HydrophobicContact CD1-CG1 4.36Å |
| 159 | K | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 34.6 Ų | 34.6 | 45% | 0.452 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 171.9 | -80.9 | 179.8 | 174.3 | -175.4 | 0 | 111.6 | L155 P156 M157 V206 V208 | L155-K159 HydrophobicContact CD1-CD 4.49Å; L155-K159 HydrophobicContact CD1-CG 4.12Å; L155-K159 HydrophobicContact CG-CD 4.2Å; L155-K159 HydrophobicContact CG-CG 4.28Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 WeakPolarHBondContact O-CG 3.2Å; L155-K159 PolarHBondContact O-N 3.3Å; P156-K159 PolarHBondContact O-N 3.05Å; M157-K159 VanDerWaalsContact C-N 3.35Å; K159-V206 HydrophobicContact CD-CG1 4.39Å; K159-V206 HydrophobicContact CG-CG1 3.93Å; K159-V208 HydrophobicContact CG-CG2 4.18Å |
| 160 | Q | 98.7 | Very high | 98.8 | Very high | 165 Ų | 165 | 33.8 Ų | 33.8 | 77% | 0.771 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -68.3 | -38.1 | 179 | -172.5 | 176.8 | 12.6 | 0 | 0 | 112.6 | P156 M157 L158 | P156-Q160 PolarHBondContact O-N 3.41Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 3.42Å; L158-Q160 VanDerWaalsContact C-N 3.28Å; L158-Q160 PolarHBondContact O-N 3.17Å |
| 161 | S | 98.7 | Very high | 98.8 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -89.9 | -5.3 | -179.4 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | L113 M157 L158 G163 | L113-S161 WeakPolarHBondContact O-CB 3.31Å; L113-S161 PolarHBondContact O-OG 3.1Å; M157-S161 PolarHBondContact O-N 2.95Å; M157-S161 VanDerWaalsContact O-N 3.09Å; M157-S161 PolarHBondContact O-OG 3.43Å; L158-S161 PolarHBondContact O-N 3.46Å; L158-S161 PolarHBondContact O-OG 2.83Å; S161-G163 PolarHBondContact O-N 3.37Å; S161-G163 PolarHBondContact OG-N 3.37Å |
| 162 | N | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 34.5 Ų | 34.5 | 43% | 0.428 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.7 | -163 | -60.2 | -47.7 | 0 | 0 | 0 | 112.4 | L158 N207 R252 | L158-N162 CarbonylContact O-C 3.56Å; L158-N162 WeakPolarHBondContact O-CA 3.3Å; L158-N162 PolarHBondContact O-N 3.21Å; N162-N207 CarbonylContact C-O 3.51Å; N162-N207 VanDerWaalsContact C-O 3.27Å; N162-N207 WeakPolarHBondContact CA-O 3.31Å; N162-N207 HydrophobicContact CB-CB 4.35Å; N162-N207 WeakPolarHBondContact CB-ND2 3.2Å; N162-N207 WeakPolarHBondContact CB-O 3.12Å; N162-N207 WeakPolarHBondContact OD1-CB 3.11Å; N162-R252 PolarHBondContact O-NH1 3.17Å; N162-R252 PolarHBondContact O-NH2 3.48Å |
| 163 | G | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | trans | -70.9 | -164 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D114 L158 S161 V208 S209 R252 | D114-G163 CarbonylContact O-C 3.56Å; D114-G163 WeakPolarHBondContact O-CA 3.44Å; L158-G163 PolarHBondContact O-N 2.87Å; S161-G163 PolarHBondContact O-N 3.37Å; S161-G163 PolarHBondContact OG-N 3.37Å; G163-V208 WeakPolarHBondContact O-CA 3.25Å; G163-S209 PolarHBondContact O-N 2.77Å; G163-S209 VanDerWaalsContact O-N 3.1Å; G163-R252 PolarHBondContact O-NH1 3.35Å | ||
| 164 | S | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.4 | -172 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | D114 M115 L116 S209 G249 R252 | D114-S164 PolarHBondContact O-N 2.98Å; M115-S164 CarbonylContact C-O 3.53Å; M115-S164 VanDerWaalsContact CA-O 3.3Å; M115-S164 WeakPolarHBondContact CA-O 3.4Å; L116-S164 PolarHBondContact N-O 2.71Å; S164-S209 VanDerWaalsContact CB-OG 3.26Å; S164-S209 WeakPolarHBondContact CB-OG 3.42Å; S164-S209 PolarHBondContact OG-OG 3.45Å; S164-G249 PolarHBondContact OG-O 3.26Å; S164-R252 PolarHBondContact OG-NH1 3.2Å |
| 165 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126 | 169.7 | -55.8 | 170.6 | 0 | 0 | 0 | 107.5 | L118 T151 L158 V167 F194 V208 S209 I210 T211 | L118-I165 HydrophobicContact CD1-CG2 4.13Å; T151-I165 HydrophobicContact CG2-CD1 3.7Å; L158-I165 HydrophobicContact CD1-CD1 4.08Å; L158-I165 HydrophobicContact CD1-CG1 3.56Å; I165-V167 HydrophobicContact CG2-CG2 3.94Å; I165-F194 HydrophobicContact CG2-CE1 4.1Å; I165-V208 HydrophobicContact CD1-CG1 4.05Å; I165-V208 HydrophobicContact CG1-CG1 4.01Å; I165-S209 PolarHBondContact N-O 2.9Å; I165-I210 HydrophobicContact CB-CG1 4.34Å; I165-I210 HydrophobicContact CD1-CG1 4.31Å; I165-I210 CarbonylContact O-C 3.58Å; I165-I210 WeakPolarHBondContact O-CA 3.44Å; I165-T211 PolarHBondContact O-N 3.03Å |
| 166 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | M115 L116 I117 L118 T211 I245 | M115-V166 HydrophobicContact CG-CG2 4.11Å; M115-V166 HydrophobicContact SD-CG2 3.97Å; L116-V166 PolarHBondContact O-N 2.84Å; I117-V166 HydrophobicContact CB-CB 4.47Å; I117-V166 HydrophobicContact CG1-CB 4.16Å; I117-V166 HydrophobicContact CG1-CG2 4.4Å; I117-V166 HydrophobicContact CG2-CB 4.32Å; I117-V166 HydrophobicContact CG2-CG1 4.33Å; L118-V166 PolarHBondContact N-O 3.01Å; V166-T211 WeakPolarHBondContact CA-O 3.48Å; V166-I245 HydrophobicContact CG1-CG2 3.53Å |
| 167 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.1 | -174.7 | -178 | 0 | 0 | 0 | 0 | 108.9 | L118 Y147 I165 S169 L190 F194 T211 L212 C213 | L118-V167 HydrophobicContact CD1-CG2 4.41Å; Y147-V167 HydrophobicContact CD2-CG1 3.99Å; Y147-V167 HydrophobicContact CE2-CG1 4.03Å; I165-V167 HydrophobicContact CG2-CG2 3.94Å; V167-S169 PolarHBondContact O-N 2.8Å; V167-L190 HydrophobicContact CG1-CB 4.18Å; V167-L190 HydrophobicContact CG1-CD1 3.94Å; V167-L190 HydrophobicContact CG1-CD2 4.03Å; V167-L190 HydrophobicContact CG1-CG 4.29Å; V167-F194 HydrophobicContact CG1-CD2 4.08Å; V167-F194 HydrophobicContact CG1-CE2 4.28Å; V167-F194 HydrophobicContact CG2-CB 4.49Å; V167-F194 HydrophobicContact CG2-CD1 3.66Å; V167-F194 HydrophobicContact CG2-CD2 3.97Å; V167-F194 HydrophobicContact CG2-CE1 3.79Å; V167-F194 HydrophobicContact CG2-CE2 4.08Å; V167-F194 HydrophobicContact CG2-CG 3.77Å; V167-F194 HydrophobicContact CG2-CZ 4Å; V167-T211 PolarHBondContact N-O 3.32Å; V167-L212 HydrophobicContact CB-CD1 3.98Å; V167-L212 HydrophobicContact CG1-CD1 3.76Å; V167-C213 PolarHBondContact O-N 2.84Å |
| 168 | V | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 112.4 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | L118 N119 K187 L215 I245 | L118-V168 PolarHBondContact O-N 3.03Å; N119-V168 HydrophobicContact CB-CB 4.21Å; N119-V168 HydrophobicContact CB-CG2 3.77Å; V168-K187 PolarHBondContact O-NZ 3.39Å; V168-L215 HydrophobicContact CG1-CD1 3.49Å; V168-L215 VanDerWaalsContact CG1-CD1 3.49Å; V168-L215 HydrophobicContact CG1-CG 4.27Å; V168-I245 HydrophobicContact CG2-CD1 4.31Å; V168-I245 HydrophobicContact CG2-CG2 4.36Å |
| 169 | S | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | trans | -114.4 | -154.3 | 176.5 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | V167 C213 | V167-S169 PolarHBondContact O-N 2.8Å; S169-C213 CarbonylContact C-O 3.44Å; S169-C213 WeakPolarHBondContact CA-O 3.44Å; S169-C213 WeakPolarHBondContact CB-O 3.28Å; S169-C213 PolarHBondContact N-O 2.91Å | ||
| 170 | S | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | trans | -156.6 | 161.8 | -172.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | A172 G173 Y183 L215 | S170-A172 PolarHBondContact O-N 3.49Å; S170-A172 PolarHBondContact OG-N 2.93Å; S170-G173 WeakPolarHBondContact O-CA 3.33Å; S170-G173 PolarHBondContact O-N 2.76Å; S170-Y183 VanDerWaalsContact CB-OH 3.25Å; S170-Y183 WeakPolarHBondContact CB-OH 3.29Å; S170-L215 CarbonylContact C-O 3.27Å; S170-L215 VanDerWaalsContact CA-O 3.3Å; S170-L215 WeakPolarHBondContact CA-O 3.21Å; S170-L215 PolarHBondContact OG-O 3.16Å | ||
| 171 | L | 98.2 | Very high | 98.2 | Very high | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -49.4 | -38.3 | 163.2 | -64.4 | 175.8 | 0 | 0 | 0 | 111.5 | G173 K174 V175 Y177 V214 L215 T264 M268 | L171-G173 PolarHBondContact O-N 3.49Å; L171-G173 VanDerWaalsContact O-N 3.1Å; L171-K174 PolarHBondContact O-N 2.78Å; L171-V175 WeakPolarHBondContact O-CG2 3.06Å; L171-V175 PolarHBondContact O-N 3.49Å; L171-Y177 HydrophobicContact CB-CE2 3.93Å; L171-V214 HydrophobicContact CD2-CG1 3.92Å; L171-L215 PolarHBondContact N-O 3.44Å; L171-T264 HydrophobicContact CD1-CG2 3.62Å; L171-T264 HydrophobicContact CD2-CG2 3.48Å; L171-T264 VanDerWaalsContact CD2-CG2 3.48Å; L171-T264 HydrophobicContact CG-CG2 4.21Å; L171-M268 HydrophobicContact CD2-CG 3.72Å; L171-M268 HydrophobicContact CD2-SD 4.17Å |
| 172 | A | 97.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 5% | 0.05 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -68.7 | -4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S170 V175 Y177 V180 Y183 S184 F188 | S170-A172 PolarHBondContact O-N 3.49Å; S170-A172 PolarHBondContact OG-N 2.93Å; A172-V175 CarbonylContact C-O 3.59Å; A172-V175 WeakPolarHBondContact CA-O 3.08Å; A172-Y177 HydrophobicContact CB-CD2 3.94Å; A172-V180 HydrophobicContact CB-CG2 4.33Å; A172-Y183 HydrophobicContact CB-CD1 4.15Å; A172-Y183 HydrophobicContact CB-CE1 3.93Å; A172-S184 WeakPolarHBondContact O-CA 3.4Å; A172-S184 VanDerWaalsContact O-CB 3.3Å; A172-S184 WeakPolarHBondContact O-CB 3.41Å; A172-S184 PolarHBondContact O-OG 2.86Å; A172-F188 WeakPolarHBondContact O-CD2 3.19Å; A172-F188 WeakPolarHBondContact O-CE2 3.36Å |
| 173 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -97.7 | 1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114 | S170 L171 F188 | S170-G173 WeakPolarHBondContact O-CA 3.33Å; S170-G173 PolarHBondContact O-N 2.76Å; L171-G173 PolarHBondContact O-N 3.49Å; L171-G173 VanDerWaalsContact O-N 3.1Å; G173-F188 WeakPolarHBondContact O-CD1 3.47Å |
| 174 | K | 98 | Very high | 98.2 | Very high | 38 Ų | 38 | 29.9 Ų | 29.9 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -34.6 | 179 | -69.5 | -65 | -169.6 | 175.1 | 0 | 112.5 | L171 F188 D191 V214 E255 M268 | L171-K174 PolarHBondContact O-N 2.78Å; K174-F188 WeakPolarHBondContact O-CZ 3.27Å; K174-D191 WeakPolarHBondContact CD-OD2 3.42Å; K174-D191 WeakPolarHBondContact CE-OD2 3.23Å; K174-D191 VanDerWaalsContact NZ-CG 3.3Å; K174-D191 IonicContact NZ-OD1 2.71Å; K174-D191 PolarHBondContact NZ-OD1 3.5Å; K174-D191 IonicContact NZ-OD2 3.1Å; K174-D191 PolarHBondContact NZ-OD2 2.74Å; K174-V214 HydrophobicContact CD-CG2 4.44Å; K174-V214 HydrophobicContact CG-CG1 3.88Å; K174-V214 HydrophobicContact CG-CG2 3.9Å; K174-E255 WeakPolarHBondContact CE-OE1 3.23Å; K174-E255 IonicContact NZ-OE1 2.69Å; K174-E255 PolarHBondContact NZ-OE1 3.23Å; K174-M268 HydrophobicContact CB-SD 4.44Å |
| 175 | V | 97.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 31.8 Ų | 31.8 | 29% | 0.291 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -131.1 | 158.2 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | L171 A172 Y177 M268 | L171-V175 WeakPolarHBondContact O-CG2 3.06Å; L171-V175 PolarHBondContact O-N 3.49Å; A172-V175 CarbonylContact C-O 3.59Å; A172-V175 WeakPolarHBondContact CA-O 3.08Å; V175-Y177 HydrophobicContact CG2-CD2 4.24Å; V175-Y177 HydrophobicContact CG2-CE2 3.41Å; V175-Y177 VanDerWaalsContact CG2-CE2 3.41Å; V175-M268 HydrophobicContact CG1-CE 3.87Å; V175-M268 HydrophobicContact CG1-SD 3.83Å; V175-M268 HydrophobicContact CG2-SD 4.29Å |
| 176 | A | 98.1 | Very high | 98.2 | Very high | 88 Ų | 88 | 31.8 Ų | 31.8 | 73% | 0.727 | 20% | 0.196 | S | C | * | . | trans | -85 | 137.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 177 | Y | 96.9 | Very high | 98.2 | Very high | 103 Ų | 103 | 31.9 Ų | 31.9 | 40% | 0.404 | 20% | 0.197 | S | C | . | . | trans | -130.1 | 147.3 | 170.9 | -67.9 | -81.1 | 0 | 0 | 0 | 110 | L171 A172 V175 | L171-Y177 HydrophobicContact CB-CE2 3.93Å; A172-Y177 HydrophobicContact CB-CD2 3.94Å; V175-Y177 HydrophobicContact CG2-CD2 4.24Å; V175-Y177 HydrophobicContact CG2-CE2 3.41Å; V175-Y177 VanDerWaalsContact CG2-CE2 3.41Å | ||
| 178 | P | 96.9 | Very high | 98.2 | Very high | 102 Ų | 102 | 35.8 Ų | 35.8 | 66% | 0.662 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 165.2 | 172.3 | 31.6 | -36.2 | 0 | 0 | 0 | 111 | V180 | P178-V180 PolarHBondContact O-N 3.13Å; P178-V180 VanDerWaalsContact O-N 3.12Å |
| 179 | M | 96.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 1.6 | 173.4 | -50 | 177.3 | 77.8 | 0 | 0 | 117 | L126 N127 L128 I230 | L126-M179 HydrophobicContact CB-CB 4.13Å; L126-M179 HydrophobicContact CB-CE 3.83Å; L126-M179 HydrophobicContact CB-SD 4.45Å; L126-M179 HydrophobicContact CD2-CB 4.44Å; N127-M179 PolarHBondContact N-O 3.46Å; N127-M179 CarbonylContact O-C 3.37Å; N127-M179 WeakPolarHBondContact O-CA 3.31Å; L128-M179 HydrophobicContact CD2-CG 4.33Å; M179-I230 HydrophobicContact CE-CD1 4.5Å; M179-I230 HydrophobicContact CE-CG2 3.76Å; M179-I230 HydrophobicContact SD-CG2 3.77Å |
| 180 | V | 97.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | trans | -133.8 | 30.3 | -176.8 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | L126 A172 P178 A182 Y183 S184 | L126-V180 HydrophobicContact CD2-CG1 3.41Å; L126-V180 VanDerWaalsContact CD2-CG1 3.41Å; A172-V180 HydrophobicContact CB-CG2 4.33Å; P178-V180 PolarHBondContact O-N 3.13Å; P178-V180 VanDerWaalsContact O-N 3.12Å; V180-A182 PolarHBondContact O-N 2.76Å; V180-Y183 HydrophobicContact CB-CD1 4.25Å; V180-Y183 PolarHBondContact O-N 3.3Å; V180-S184 VanDerWaalsContact O-CB 3.24Å; V180-S184 WeakPolarHBondContact O-CB 3.45Å; V180-S184 PolarHBondContact O-N 3.2Å | ||
| 181 | A | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.6 | -52.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F129 Y183 S184 A185 | F129-A181 HydrophobicContact CB-CB 4.25Å; A181-Y183 PolarHBondContact O-N 2.73Å; A181-S184 PolarHBondContact O-N 2.75Å; A181-A185 WeakPolarHBondContact O-CB 3.22Å; A181-A185 PolarHBondContact O-N 3.44Å |
| 182 | A | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | V136 V180 S186 | V136-A182 HydrophobicContact CB-CB 4.44Å; V136-A182 HydrophobicContact CG2-CB 3.93Å; V180-A182 PolarHBondContact O-N 2.76Å; A182-S186 PolarHBondContact O-N 2.86Å |
| 183 | Y | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -49.3 | 176.6 | 171.5 | -99.7 | 0 | 0 | 0 | 111.3 | I121 T124 S170 A172 V180 A181 A185 S186 K187 | I121-Y183 HydrophobicContact CD1-CE2 4.08Å; I121-Y183 HydrophobicContact CG2-CE2 4.37Å; T124-Y183 HydrophobicContact CG2-CG 4.38Å; S170-Y183 VanDerWaalsContact CB-OH 3.25Å; S170-Y183 WeakPolarHBondContact CB-OH 3.29Å; A172-Y183 HydrophobicContact CB-CD1 4.15Å; A172-Y183 HydrophobicContact CB-CE1 3.93Å; V180-Y183 HydrophobicContact CB-CD1 4.25Å; V180-Y183 PolarHBondContact O-N 3.3Å; A181-Y183 PolarHBondContact O-N 2.73Å; Y183-A185 PolarHBondContact O-N 2.85Å; Y183-S186 PolarHBondContact O-N 3.01Å; Y183-S186 VanDerWaalsContact O-N 3.17Å; Y183-S186 PolarHBondContact O-OG 2.91Å; Y183-K187 HydrophobicContact CD1-CG 4.42Å; Y183-K187 HydrophobicContact CD2-CG 4.38Å; Y183-K187 HydrophobicContact CE1-CG 4Å; Y183-K187 HydrophobicContact CE2-CD 4.33Å; Y183-K187 HydrophobicContact CE2-CG 3.96Å; Y183-K187 WeakPolarHBondContact O-CG 3.48Å; Y183-K187 PolarHBondContact O-N 2.94Å |
| 184 | S | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | A172 V180 A181 S186 K187 F188 | A172-S184 WeakPolarHBondContact O-CA 3.4Å; A172-S184 VanDerWaalsContact O-CB 3.3Å; A172-S184 WeakPolarHBondContact O-CB 3.41Å; A172-S184 PolarHBondContact O-OG 2.86Å; V180-S184 VanDerWaalsContact O-CB 3.24Å; V180-S184 WeakPolarHBondContact O-CB 3.45Å; V180-S184 PolarHBondContact O-N 3.2Å; A181-S184 PolarHBondContact O-N 2.75Å; S184-S186 VanDerWaalsContact C-N 3.29Å; S184-S186 PolarHBondContact O-N 2.82Å; S184-K187 PolarHBondContact O-N 2.97Å; S184-F188 WeakPolarHBondContact O-CD2 3.1Å; S184-F188 PolarHBondContact O-N 3.46Å; S184-F188 WeakPolarHBondContact OG-CD2 3.48Å; S184-F188 WeakPolarHBondContact OG-CE2 3.33Å |
| 185 | A | 98.8 | Very high | 98.3 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -51.9 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M140 A181 Y183 K187 F188 A189 | M140-A185 HydrophobicContact SD-CB 4.4Å; A181-A185 WeakPolarHBondContact O-CB 3.22Å; A181-A185 PolarHBondContact O-N 3.44Å; Y183-A185 PolarHBondContact O-N 2.85Å; A185-K187 PolarHBondContact O-N 3.36Å; A185-F188 PolarHBondContact O-N 2.87Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.16Å |
| 186 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 178.1 | 74.7 | 0 | 0 | 0 | 0 | 113.5 | N143 A182 Y183 S184 A189 L190 | N143-S186 WeakPolarHBondContact CB-OG 3.36Å; N143-S186 PolarHBondContact ND2-OG 2.99Å; N143-S186 VanDerWaalsContact ND2-OG 3.13Å; A182-S186 PolarHBondContact O-N 2.86Å; Y183-S186 PolarHBondContact O-N 3.01Å; Y183-S186 VanDerWaalsContact O-N 3.17Å; Y183-S186 PolarHBondContact O-OG 2.91Å; S184-S186 VanDerWaalsContact C-N 3.29Å; S184-S186 PolarHBondContact O-N 2.82Å; S186-A189 PolarHBondContact O-N 2.97Å; S186-L190 WeakPolarHBondContact O-CG 3.22Å; S186-L190 PolarHBondContact O-N 2.8Å |
| 187 | K | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77 | -31.9 | 179.4 | -65.7 | -50.3 | -169.2 | 178.3 | 0 | 113.1 | V168 Y183 S184 A185 L190 D191 | V168-K187 PolarHBondContact O-NZ 3.39Å; Y183-K187 HydrophobicContact CD1-CG 4.42Å; Y183-K187 HydrophobicContact CD2-CG 4.38Å; Y183-K187 HydrophobicContact CE1-CG 4Å; Y183-K187 HydrophobicContact CE2-CD 4.33Å; Y183-K187 HydrophobicContact CE2-CG 3.96Å; Y183-K187 WeakPolarHBondContact O-CG 3.48Å; Y183-K187 PolarHBondContact O-N 2.94Å; S184-K187 PolarHBondContact O-N 2.97Å; A185-K187 PolarHBondContact O-N 3.36Å; K187-L190 HydrophobicContact CD-CD1 3.69Å; K187-D191 PolarHBondContact O-N 2.95Å |
| 188 | F | 98.9 | Very high | 98.5 | Very high | 82 Ų | 82 | 32.7 Ų | 32.7 | 36% | 0.36 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.3 | -40 | 168.4 | -88.4 | -89.8 | 0 | 0 | 0 | 111.6 | A172 G173 K174 S184 A185 L190 D191 G192 | A172-F188 WeakPolarHBondContact O-CD2 3.19Å; A172-F188 WeakPolarHBondContact O-CE2 3.36Å; G173-F188 WeakPolarHBondContact O-CD1 3.47Å; K174-F188 WeakPolarHBondContact O-CZ 3.27Å; S184-F188 WeakPolarHBondContact O-CD2 3.1Å; S184-F188 PolarHBondContact O-N 3.46Å; S184-F188 WeakPolarHBondContact OG-CD2 3.48Å; S184-F188 WeakPolarHBondContact OG-CE2 3.33Å; A185-F188 PolarHBondContact O-N 2.87Å; F188-L190 VanDerWaalsContact C-N 3.29Å; F188-L190 PolarHBondContact O-N 2.87Å; F188-D191 PolarHBondContact O-N 3.03Å; F188-D191 VanDerWaalsContact O-N 3.14Å; F188-G192 PolarHBondContact O-N 3.31Å |
| 189 | A | 98.9 | Very high | 98.5 | Very high | 27 Ų | 27 | 31 Ų | 31 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M140 F144 A185 S186 G192 F193 | M140-A189 HydrophobicContact CE-CB 3.83Å; F144-A189 HydrophobicContact CD1-CB 4.4Å; F144-A189 HydrophobicContact CD2-CB 3.56Å; F144-A189 HydrophobicContact CE2-CB 3.82Å; F144-A189 WeakPolarHBondContact CE2-O 3.47Å; F144-A189 HydrophobicContact CG-CB 3.89Å; F144-A189 HydrophobicContact CZ-CB 4.34Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.16Å; S186-A189 PolarHBondContact O-N 2.97Å; A189-G192 PolarHBondContact O-N 3.27Å; A189-F193 WeakPolarHBondContact O-CB 3.36Å; A189-F193 PolarHBondContact O-N 2.86Å |
| 190 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -48.9 | 172.3 | -70.1 | 174.1 | 0 | 0 | 0 | 111.8 | F144 Y147 V167 S186 K187 F188 F193 F194 | F144-L190 HydrophobicContact CD2-CD2 3.95Å; F144-L190 HydrophobicContact CD2-CG 4.29Å; Y147-L190 HydrophobicContact CD2-CD1 4.16Å; Y147-L190 HydrophobicContact CD2-CD2 3.44Å; Y147-L190 VanDerWaalsContact CD2-CD2 3.44Å; Y147-L190 HydrophobicContact CD2-CG 4.48Å; Y147-L190 HydrophobicContact CE2-CD1 4.01Å; Y147-L190 HydrophobicContact CE2-CD2 4.14Å; Y147-L190 HydrophobicContact CG-CD2 3.88Å; V167-L190 HydrophobicContact CG1-CB 4.18Å; V167-L190 HydrophobicContact CG1-CD1 3.94Å; V167-L190 HydrophobicContact CG1-CD2 4.03Å; V167-L190 HydrophobicContact CG1-CG 4.29Å; S186-L190 WeakPolarHBondContact O-CG 3.22Å; S186-L190 PolarHBondContact O-N 2.8Å; K187-L190 HydrophobicContact CD-CD1 3.69Å; F188-L190 VanDerWaalsContact C-N 3.29Å; F188-L190 PolarHBondContact O-N 2.87Å; L190-F193 PolarHBondContact O-N 3.13Å; L190-F194 HydrophobicContact CB-CD2 4.33Å; L190-F194 HydrophobicContact CD2-CD2 3.87Å; L190-F194 HydrophobicContact CD2-CE2 3.55Å; L190-F194 VanDerWaalsContact O-CB 3.27Å; L190-F194 WeakPolarHBondContact O-CB 3.39Å; L190-F194 WeakPolarHBondContact O-CD2 3.37Å; L190-F194 PolarHBondContact O-N 3.05Å |
| 191 | D | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 179.5 | -178.8 | 7.6 | 0 | 0 | 0 | 111.7 | K174 K187 F188 F193 S195 L212 R273 | K174-D191 WeakPolarHBondContact CD-OD2 3.42Å; K174-D191 WeakPolarHBondContact CE-OD2 3.23Å; K174-D191 VanDerWaalsContact NZ-CG 3.3Å; K174-D191 IonicContact NZ-OD1 2.71Å; K174-D191 PolarHBondContact NZ-OD1 3.5Å; K174-D191 IonicContact NZ-OD2 3.1Å; K174-D191 PolarHBondContact NZ-OD2 2.74Å; K187-D191 PolarHBondContact O-N 2.95Å; F188-D191 PolarHBondContact O-N 3.03Å; F188-D191 VanDerWaalsContact O-N 3.14Å; D191-F193 PolarHBondContact O-N 3.19Å; D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 3.36Å; D191-S195 PolarHBondContact O-OG 3.5Å; D191-S195 PolarHBondContact OD1-OG 3.32Å; D191-L212 HydrophobicContact CB-CD2 3.83Å; D191-R273 VanDerWaalsContact CG-NH1 3.29Å; D191-R273 IonicContact OD1-CZ 3.11Å; D191-R273 IonicContact OD1-NH1 2.82Å; D191-R273 PolarHBondContact OD1-NH1 3.05Å; D191-R273 VanDerWaalsContact OD1-NH1 3.11Å; D191-R273 IonicContact OD1-NH2 3.63Å; D191-R273 PolarHBondContact OD1-NH2 2.96Å; D191-R273 IonicContact OD2-CZ 3.72Å; D191-R273 IonicContact OD2-NH1 2.7Å; D191-R273 PolarHBondContact OD2-NH1 3.35Å; D191-R273 IonicContact OD2-NH2 3.85Å |
| 192 | G | 98.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.4 | -50.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F188 A189 S196 | F188-G192 PolarHBondContact O-N 3.31Å; A189-G192 PolarHBondContact O-N 3.27Å; G192-S196 WeakPolarHBondContact O-CB 3.42Å; G192-S196 PolarHBondContact O-N 3.06Å; G192-S196 VanDerWaalsContact O-N 3.16Å |
| 193 | F | 98.9 | Very high | 98.1 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.3 | -54.7 | -178.3 | -176.1 | -92.8 | 0 | 0 | 0 | 112.4 | F144 V148 A189 L190 D191 S195 S196 I197 | F144-F193 HydrophobicContact CE2-CB 3.64Å; F144-F193 HydrophobicContact CE2-CG 4.08Å; F144-F193 HydrophobicContact CZ-CB 4.08Å; F144-F193 HydrophobicContact CZ-CD2 4.29Å; F144-F193 HydrophobicContact CZ-CG 4.23Å; V148-F193 HydrophobicContact CB-CE1 4.29Å; V148-F193 HydrophobicContact CB-CZ 4.26Å; V148-F193 HydrophobicContact CG1-CE1 4.02Å; V148-F193 HydrophobicContact CG1-CE2 4.16Å; V148-F193 HydrophobicContact CG1-CZ 3.56Å; V148-F193 HydrophobicContact CG2-CD1 3.87Å; V148-F193 HydrophobicContact CG2-CD2 4.33Å; V148-F193 HydrophobicContact CG2-CE1 3.66Å; V148-F193 HydrophobicContact CG2-CE2 4.15Å; V148-F193 HydrophobicContact CG2-CG 4.21Å; V148-F193 HydrophobicContact CG2-CZ 3.82Å; A189-F193 WeakPolarHBondContact O-CB 3.36Å; A189-F193 PolarHBondContact O-N 2.86Å; L190-F193 PolarHBondContact O-N 3.13Å; D191-F193 PolarHBondContact O-N 3.19Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.22Å; F193-S196 WeakPolarHBondContact O-CB 3.5Å; F193-S196 PolarHBondContact O-N 3.24Å; F193-S196 VanDerWaalsContact O-N 3.13Å; F193-I197 HydrophobicContact CD1-CD1 4.31Å; F193-I197 HydrophobicContact CE1-CD1 3.88Å; F193-I197 HydrophobicContact CE1-CG2 4.1Å; F193-I197 HydrophobicContact CE2-CG2 4.48Å; F193-I197 HydrophobicContact CZ-CG2 4.05Å; F193-I197 PolarHBondContact O-N 3.47Å |
| 194 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.4 | -29.9 | -174 | -79.3 | -80.5 | 0 | 0 | 0 | 112.7 | L118 Y147 T151 I165 V167 L190 I197 R198 I210 | L118-F194 HydrophobicContact CD1-CE1 4.42Å; L118-F194 HydrophobicContact CD1-CZ 3.93Å; Y147-F194 HydrophobicContact CD2-CE2 4.44Å; T151-F194 HydrophobicContact CG2-CE1 4.3Å; T151-F194 WeakPolarHBondContact OG1-CE1 3.44Å; I165-F194 HydrophobicContact CG2-CE1 4.1Å; V167-F194 HydrophobicContact CG1-CD2 4.08Å; V167-F194 HydrophobicContact CG1-CE2 4.28Å; V167-F194 HydrophobicContact CG2-CB 4.49Å; V167-F194 HydrophobicContact CG2-CD1 3.66Å; V167-F194 HydrophobicContact CG2-CD2 3.97Å; V167-F194 HydrophobicContact CG2-CE1 3.79Å; V167-F194 HydrophobicContact CG2-CE2 4.08Å; V167-F194 HydrophobicContact CG2-CG 3.77Å; V167-F194 HydrophobicContact CG2-CZ 4Å; L190-F194 HydrophobicContact CB-CD2 4.33Å; L190-F194 HydrophobicContact CD2-CD2 3.87Å; L190-F194 HydrophobicContact CD2-CE2 3.55Å; L190-F194 VanDerWaalsContact O-CB 3.27Å; L190-F194 WeakPolarHBondContact O-CB 3.39Å; L190-F194 WeakPolarHBondContact O-CD2 3.37Å; L190-F194 PolarHBondContact O-N 3.05Å; F194-I197 HydrophobicContact CD1-CD1 3.72Å; F194-I197 HydrophobicContact CD1-CG1 4.39Å; F194-I197 HydrophobicContact CE1-CD1 4.03Å; F194-I197 WeakPolarHBondContact O-CG1 3.38Å; F194-R198 WeakPolarHBondContact O-CB 3.23Å; F194-R198 PolarHBondContact O-N 3.32Å; F194-R198 VanDerWaalsContact O-N 3.16Å; F194-I210 HydrophobicContact CB-CG2 4.02Å; F194-I210 HydrophobicContact CD1-CD1 4.47Å; F194-I210 HydrophobicContact CD1-CG2 3.93Å; F194-I210 HydrophobicContact CG-CG2 4.41Å |
| 195 | S | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 171.6 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | D191 F193 R198 K199 R273 | D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 3.36Å; D191-S195 PolarHBondContact O-OG 3.5Å; D191-S195 PolarHBondContact OD1-OG 3.32Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.22Å; S195-R198 PolarHBondContact O-N 2.96Å; S195-R198 PolarHBondContact OG-NH1 2.85Å; S195-K199 PolarHBondContact O-N 3Å; S195-R273 VanDerWaalsContact CB-NH2 3.32Å; S195-R273 PolarHBondContact OG-NH2 3.33Å; S195-R273 VanDerWaalsContact OG-NH2 3.11Å |
| 196 | S | 98.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 43% | 0.427 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.8 | -54.5 | 174.6 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | G192 F193 R198 K199 E200 | G192-S196 WeakPolarHBondContact O-CB 3.42Å; G192-S196 PolarHBondContact O-N 3.06Å; G192-S196 VanDerWaalsContact O-N 3.16Å; F193-S196 WeakPolarHBondContact O-CB 3.5Å; F193-S196 PolarHBondContact O-N 3.24Å; F193-S196 VanDerWaalsContact O-N 3.13Å; S196-R198 PolarHBondContact O-N 3Å; S196-K199 WeakPolarHBondContact O-CA 3.49Å; S196-K199 WeakPolarHBondContact O-CB 3.34Å; S196-K199 PolarHBondContact O-N 2.91Å; S196-E200 PolarHBondContact O-N 3.29Å |
| 197 | I | 98.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -25.5 | -178.6 | 64.9 | 168.5 | 0 | 0 | 0 | 112.6 | T151 F193 F194 K199 E200 Y201 I210 | T151-I197 HydrophobicContact CG2-CD1 4.31Å; F193-I197 HydrophobicContact CD1-CD1 4.31Å; F193-I197 HydrophobicContact CE1-CD1 3.88Å; F193-I197 HydrophobicContact CE1-CG2 4.1Å; F193-I197 HydrophobicContact CE2-CG2 4.48Å; F193-I197 HydrophobicContact CZ-CG2 4.05Å; F193-I197 PolarHBondContact O-N 3.47Å; F194-I197 HydrophobicContact CD1-CD1 3.72Å; F194-I197 HydrophobicContact CD1-CG1 4.39Å; F194-I197 HydrophobicContact CE1-CD1 4.03Å; F194-I197 WeakPolarHBondContact O-CG1 3.38Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-E200 PolarHBondContact O-N 3.18Å; I197-Y201 WeakPolarHBondContact O-CB 3.37Å; I197-Y201 VanDerWaalsContact O-CD1 3.3Å; I197-Y201 WeakPolarHBondContact O-CD1 3.43Å; I197-Y201 VanDerWaalsContact O-CG 3.26Å; I197-Y201 PolarHBondContact O-N 3.3Å; I197-I210 HydrophobicContact CD1-CD1 3.66Å; I197-I210 HydrophobicContact CG1-CD1 3.56Å |
| 198 | R | 98.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 50 Ų | 50 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 170.9 | -170.1 | -170.5 | -64.5 | 110.3 | -3.3 | 111.2 | F194 S195 S196 Y201 S202 I210 E254 | F194-R198 WeakPolarHBondContact O-CB 3.23Å; F194-R198 PolarHBondContact O-N 3.32Å; F194-R198 VanDerWaalsContact O-N 3.16Å; S195-R198 PolarHBondContact O-N 2.96Å; S195-R198 PolarHBondContact OG-NH1 2.85Å; S196-R198 PolarHBondContact O-N 3Å; R198-Y201 PolarHBondContact O-N 2.78Å; R198-S202 PolarHBondContact O-N 3.49Å; R198-I210 HydrophobicContact CB-CB 4.44Å; R198-I210 HydrophobicContact CB-CD1 4.13Å; R198-I210 HydrophobicContact CG-CB 4.44Å; R198-I210 VanDerWaalsContact CZ-O 3.28Å; R198-I210 PolarHBondContact NE-O 2.79Å; R198-I210 PolarHBondContact NH2-O 2.91Å; R198-E254 PolarHBondContact NH2-O 3.44Å |
| 199 | K | 96.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 175 | -60.2 | -63.3 | -176 | -175.2 | 0 | 111 | S195 S196 I197 Y201 S202 V203 E277 | S195-K199 PolarHBondContact O-N 3Å; S196-K199 WeakPolarHBondContact O-CA 3.49Å; S196-K199 WeakPolarHBondContact O-CB 3.34Å; S196-K199 PolarHBondContact O-N 2.91Å; I197-K199 VanDerWaalsContact C-N 3.35Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 3.46Å; K199-S202 WeakPolarHBondContact O-CB 3.3Å; K199-S202 PolarHBondContact O-N 2.78Å; K199-V203 PolarHBondContact O-N 3.3Å; K199-E277 WeakPolarHBondContact CE-OE2 3.44Å; K199-E277 IonicContact NZ-OE2 2.93Å; K199-E277 PolarHBondContact NZ-OE2 2.96Å |
| 200 | E | 96.9 | Very high | 97.6 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 174.5 | -65.5 | 178.1 | -165.5 | 0 | 0 | 111.6 | S196 I197 S202 V203 A204 | S196-E200 PolarHBondContact O-N 3.29Å; I197-E200 PolarHBondContact O-N 3.18Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 3.39Å; E200-V203 WeakPolarHBondContact O-CG2 3.36Å; E200-V203 PolarHBondContact O-N 2.81Å; E200-A204 VanDerWaalsContact O-CB 3.22Å; E200-A204 WeakPolarHBondContact O-CB 3.13Å; E200-A204 PolarHBondContact O-N 3.45Å |
| 201 | Y | 97.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 177.1 | -72.4 | 4.8 | 0 | 0 | 0 | 111.9 | L155 I197 R198 K199 K205 V206 V208 I210 | L155-Y201 HydrophobicContact CD1-CE1 4.47Å; L155-Y201 HydrophobicContact CD1-CE2 3.94Å; L155-Y201 VanDerWaalsContact CD1-OH 3.24Å; L155-Y201 WeakPolarHBondContact CD1-OH 3.39Å; L155-Y201 HydrophobicContact CD2-CE1 4.34Å; L155-Y201 WeakPolarHBondContact CD2-OH 3.48Å; I197-Y201 WeakPolarHBondContact O-CB 3.37Å; I197-Y201 VanDerWaalsContact O-CD1 3.3Å; I197-Y201 WeakPolarHBondContact O-CD1 3.43Å; I197-Y201 VanDerWaalsContact O-CG 3.26Å; I197-Y201 PolarHBondContact O-N 3.3Å; R198-Y201 PolarHBondContact O-N 2.78Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 3.46Å; Y201-K205 CarbonylContact O-C 3.37Å; Y201-K205 WeakPolarHBondContact O-CA 3.21Å; Y201-K205 PolarHBondContact O-N 2.78Å; Y201-V206 HydrophobicContact CD1-CB 4.05Å; Y201-V206 HydrophobicContact CD1-CG1 4.1Å; Y201-V206 HydrophobicContact CD1-CG2 4.36Å; Y201-V206 HydrophobicContact CD2-CB 4.45Å; Y201-V206 HydrophobicContact CD2-CG1 3.98Å; Y201-V206 HydrophobicContact CE1-CG1 4.49Å; Y201-V206 HydrophobicContact CE2-CG1 4.35Å; Y201-V206 HydrophobicContact CG-CB 3.86Å; Y201-V206 HydrophobicContact CG-CG1 3.86Å; Y201-V206 PolarHBondContact O-N 2.87Å; Y201-V208 HydrophobicContact CD2-CB 4.13Å; Y201-V208 HydrophobicContact CE2-CB 4.14Å; Y201-V208 HydrophobicContact CE2-CG1 4.28Å; Y201-I210 HydrophobicContact CD2-CD1 4.05Å; Y201-I210 HydrophobicContact CD2-CG1 4.5Å; Y201-I210 HydrophobicContact CE2-CD1 3.91Å; Y201-I210 HydrophobicContact CE2-CG1 4.46Å |
| 202 | S | 93.9 | Very high | 97.6 | Very high | 87 Ų | 87 | 45 Ų | 45 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | R198 K199 E200 | R198-S202 PolarHBondContact O-N 3.49Å; K199-S202 WeakPolarHBondContact O-CB 3.3Å; K199-S202 PolarHBondContact O-N 2.78Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 3.39Å |
| 203 | V | 93.9 | Very high | 97.6 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -76.7 | -33.2 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | K199 E200 K205 L281 M286 | K199-V203 PolarHBondContact O-N 3.3Å; E200-V203 WeakPolarHBondContact O-CG2 3.36Å; E200-V203 PolarHBondContact O-N 2.81Å; V203-K205 VanDerWaalsContact C-N 3.26Å; V203-K205 PolarHBondContact O-N 3.04Å; V203-L281 HydrophobicContact CG1-CD1 4.21Å; V203-M286 HydrophobicContact CG1-CE 4.07Å; V203-M286 HydrophobicContact CG1-CG 4.38Å; V203-M286 HydrophobicContact CG1-SD 4.38Å; V203-M286 HydrophobicContact CG2-SD 4.36Å |
| 204 | A | 93.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E200 V206 | E200-A204 VanDerWaalsContact O-CB 3.22Å; E200-A204 WeakPolarHBondContact O-CB 3.13Å; E200-A204 PolarHBondContact O-N 3.45Å; A204-V206 HydrophobicContact CB-CG2 4.13Å; A204-V206 PolarHBondContact O-N 2.88Å |
| 205 | K | 95.2 | Very high | 97.5 | Very high | 194 Ų | 194 | 40 Ų | 40 | 84% | 0.843 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.5 | -177.2 | -56 | -177 | 178.7 | -177.9 | 0 | 113.5 | Y201 V203 N207 | Y201-K205 CarbonylContact O-C 3.37Å; Y201-K205 WeakPolarHBondContact O-CA 3.21Å; Y201-K205 PolarHBondContact O-N 2.78Å; V203-K205 VanDerWaalsContact C-N 3.26Å; V203-K205 PolarHBondContact O-N 3.04Å; K205-N207 PolarHBondContact O-N 3.42Å |
| 206 | V | 97.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | trans | -82.1 | 110.9 | 171.5 | 174.1 | 0 | 0 | 0 | 0 | 108.3 | K159 Y201 A204 V208 | K159-V206 HydrophobicContact CD-CG1 4.39Å; K159-V206 HydrophobicContact CG-CG1 3.93Å; Y201-V206 HydrophobicContact CD1-CB 4.05Å; Y201-V206 HydrophobicContact CD1-CG1 4.1Å; Y201-V206 HydrophobicContact CD1-CG2 4.36Å; Y201-V206 HydrophobicContact CD2-CB 4.45Å; Y201-V206 HydrophobicContact CD2-CG1 3.98Å; Y201-V206 HydrophobicContact CE1-CG1 4.49Å; Y201-V206 HydrophobicContact CE2-CG1 4.35Å; Y201-V206 HydrophobicContact CG-CB 3.86Å; Y201-V206 HydrophobicContact CG-CG1 3.86Å; Y201-V206 PolarHBondContact O-N 2.87Å; A204-V206 HydrophobicContact CB-CG2 4.13Å; A204-V206 PolarHBondContact O-N 2.88Å; V206-V208 HydrophobicContact CG1-CB 4.12Å; V206-V208 HydrophobicContact CG1-CG2 3.9Å; V206-V208 PolarHBondContact O-N 3.21Å | ||
| 207 | N | 98.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | trans | -82.7 | 54.1 | -177 | -171.5 | 20.7 | 0 | 0 | 0 | 112.9 | N162 K205 R252 | N162-N207 CarbonylContact C-O 3.51Å; N162-N207 VanDerWaalsContact C-O 3.27Å; N162-N207 WeakPolarHBondContact CA-O 3.31Å; N162-N207 HydrophobicContact CB-CB 4.35Å; N162-N207 WeakPolarHBondContact CB-ND2 3.2Å; N162-N207 WeakPolarHBondContact CB-O 3.12Å; N162-N207 WeakPolarHBondContact OD1-CB 3.11Å; K205-N207 PolarHBondContact O-N 3.42Å; N207-R252 PolarHBondContact O-NH2 3.35Å; N207-R252 PolarHBondContact OD1-NH2 3.29Å | ||
| 208 | V | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | trans | -114.6 | 121.9 | 172.5 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | L155 L158 K159 G163 I165 Y201 V206 | L155-V208 HydrophobicContact CD1-CG2 4.26Å; L158-V208 HydrophobicContact CB-CG1 4.09Å; L158-V208 HydrophobicContact CB-CG2 3.95Å; L158-V208 HydrophobicContact CD1-CG1 4.36Å; K159-V208 HydrophobicContact CG-CG2 4.18Å; G163-V208 WeakPolarHBondContact O-CA 3.25Å; I165-V208 HydrophobicContact CD1-CG1 4.05Å; I165-V208 HydrophobicContact CG1-CG1 4.01Å; Y201-V208 HydrophobicContact CD2-CB 4.13Å; Y201-V208 HydrophobicContact CE2-CB 4.14Å; Y201-V208 HydrophobicContact CE2-CG1 4.28Å; V206-V208 HydrophobicContact CG1-CB 4.12Å; V206-V208 HydrophobicContact CG1-CG2 3.9Å; V206-V208 PolarHBondContact O-N 3.21Å | ||
| 209 | S | 98.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 153.9 | 177.7 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | G163 S164 I165 R252 | G163-S209 PolarHBondContact O-N 2.77Å; G163-S209 VanDerWaalsContact O-N 3.1Å; S164-S209 VanDerWaalsContact CB-OG 3.26Å; S164-S209 WeakPolarHBondContact CB-OG 3.42Å; S164-S209 PolarHBondContact OG-OG 3.45Å; I165-S209 PolarHBondContact N-O 2.9Å; S209-R252 PolarHBondContact OG-NH1 2.79Å |
| 210 | I | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 117 | 175.4 | -56.4 | -178.7 | 0 | 0 | 0 | 108.2 | I165 F194 I197 R198 Y201 | I165-I210 HydrophobicContact CB-CG1 4.34Å; I165-I210 HydrophobicContact CD1-CG1 4.31Å; I165-I210 CarbonylContact O-C 3.58Å; I165-I210 WeakPolarHBondContact O-CA 3.44Å; F194-I210 HydrophobicContact CB-CG2 4.02Å; F194-I210 HydrophobicContact CD1-CD1 4.47Å; F194-I210 HydrophobicContact CD1-CG2 3.93Å; F194-I210 HydrophobicContact CG-CG2 4.41Å; I197-I210 HydrophobicContact CD1-CD1 3.66Å; I197-I210 HydrophobicContact CG1-CD1 3.56Å; R198-I210 HydrophobicContact CB-CB 4.44Å; R198-I210 HydrophobicContact CB-CD1 4.13Å; R198-I210 HydrophobicContact CG-CB 4.44Å; R198-I210 VanDerWaalsContact CZ-O 3.28Å; R198-I210 PolarHBondContact NE-O 2.79Å; R198-I210 PolarHBondContact NH2-O 2.91Å; Y201-I210 HydrophobicContact CD2-CD1 4.05Å; Y201-I210 HydrophobicContact CD2-CG1 4.5Å; Y201-I210 HydrophobicContact CE2-CD1 3.91Å; Y201-I210 HydrophobicContact CE2-CG1 4.46Å |
| 211 | T | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.5 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | I165 V166 V167 G248 Q253 E254 V256 | I165-T211 PolarHBondContact O-N 3.03Å; V166-T211 WeakPolarHBondContact CA-O 3.48Å; V167-T211 PolarHBondContact N-O 3.32Å; T211-G248 PolarHBondContact OG1-O 3.37Å; T211-Q253 VanDerWaalsContact CA-O 3.28Å; T211-Q253 WeakPolarHBondContact CA-O 3.45Å; T211-Q253 WeakPolarHBondContact CB-O 3.34Å; T211-Q253 WeakPolarHBondContact CG2-O 3.38Å; T211-Q253 PolarHBondContact OG1-O 3.09Å; T211-E254 WeakPolarHBondContact CA-O 3.49Å; T211-V256 HydrophobicContact CG2-CG2 3.66Å |
| 212 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.4 | 174.1 | -176.4 | 72.7 | 0 | 0 | 0 | 109.6 | V167 D191 E254 E255 V256 | V167-L212 HydrophobicContact CB-CD1 3.98Å; V167-L212 HydrophobicContact CG1-CD1 3.76Å; D191-L212 HydrophobicContact CB-CD2 3.83Å; L212-E254 PolarHBondContact N-O 3.23Å; L212-E255 HydrophobicContact CB-CG 4.36Å; L212-E255 VanDerWaalsContact O-CA 3.23Å; L212-E255 WeakPolarHBondContact O-CA 3.37Å; L212-V256 PolarHBondContact O-N 3.23Å |
| 213 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 111.9 | -178.4 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | V167 S169 L215 I245 V256 | V167-C213 PolarHBondContact O-N 2.84Å; S169-C213 CarbonylContact C-O 3.44Å; S169-C213 WeakPolarHBondContact CA-O 3.44Å; S169-C213 WeakPolarHBondContact CB-O 3.28Å; S169-C213 PolarHBondContact N-O 2.91Å; C213-L215 HydrophobicContact CB-CD2 4.12Å; C213-L215 HydrophobicContact CB-CG 4.49Å; C213-I245 HydrophobicContact CB-CG1 4.12Å; C213-V256 CarbonylContact C-O 3.53Å; C213-V256 WeakPolarHBondContact CA-O 3.3Å; C213-V256 HydrophobicContact CB-CB 4.31Å |
| 214 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 100.6 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | L171 K174 V256 Y257 Y258 | L171-V214 HydrophobicContact CD2-CG1 3.92Å; K174-V214 HydrophobicContact CD-CG2 4.44Å; K174-V214 HydrophobicContact CG-CG1 3.88Å; K174-V214 HydrophobicContact CG-CG2 3.9Å; V214-V256 PolarHBondContact N-O 3.48Å; V214-Y257 HydrophobicContact CB-CD1 3.65Å; V214-Y257 HydrophobicContact CB-CE1 3.78Å; V214-Y257 HydrophobicContact CB-CG 4.5Å; V214-Y257 HydrophobicContact CG1-CD1 3.91Å; V214-Y257 HydrophobicContact CG1-CE1 3.97Å; V214-Y257 HydrophobicContact CG2-CD1 4.21Å; V214-Y257 HydrophobicContact CG2-CE1 3.84Å; V214-Y258 PolarHBondContact O-N 3.15Å |
| 215 | L | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.1 | -174.8 | -50.6 | -175.9 | 0 | 0 | 0 | 112.7 | I46 V168 S170 L171 C213 I218 I245 Y258 | I46-L215 HydrophobicContact CD1-CD1 3.89Å; V168-L215 HydrophobicContact CG1-CD1 3.49Å; V168-L215 VanDerWaalsContact CG1-CD1 3.49Å; V168-L215 HydrophobicContact CG1-CG 4.27Å; S170-L215 CarbonylContact C-O 3.27Å; S170-L215 VanDerWaalsContact CA-O 3.3Å; S170-L215 WeakPolarHBondContact CA-O 3.21Å; S170-L215 PolarHBondContact OG-O 3.16Å; L171-L215 PolarHBondContact N-O 3.44Å; C213-L215 HydrophobicContact CB-CD2 4.12Å; C213-L215 HydrophobicContact CB-CG 4.49Å; L215-I218 HydrophobicContact CB-CG1 4.43Å; L215-I245 HydrophobicContact CD1-CD1 3.93Å; L215-I245 HydrophobicContact CD2-CD1 4.23Å; L215-I245 HydrophobicContact CD2-CG1 4.23Å; L215-Y258 WeakPolarHBondContact CA-O 3.16Å |
| 216 | G | 97.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | trans | -76.8 | -154.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y258 D259 | G216-Y258 PolarHBondContact N-O 3.3Å; G216-D259 VanDerWaalsContact CA-OD1 3.32Å; G216-D259 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 217 | L | 97.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | trans | -76.4 | 122.9 | 173.3 | -179.6 | 62 | 0 | 0 | 0 | 109.4 | A223 V227 M233 A235 A236 | L217-A223 HydrophobicContact CD1-CB 4.15Å; L217-V227 HydrophobicContact CD1-CG1 3.87Å; L217-V227 HydrophobicContact CD1-CG2 4.48Å; L217-V227 HydrophobicContact CD2-CG2 4.42Å; L217-M233 HydrophobicContact CD2-CB 4.18Å; L217-A235 HydrophobicContact CD2-CB 4.06Å; L217-A235 HydrophobicContact CG-CB 3.84Å; L217-A235 CarbonylContact O-C 3.54Å; L217-A235 WeakPolarHBondContact O-CA 3.32Å; L217-A236 PolarHBondContact O-N 3.13Å | ||
| 218 | I | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -116.4 | 139.3 | -178.5 | -49.4 | -57.3 | 0 | 0 | 0 | 109.6 | I46 L215 T220 A223 A236 K238 C241 Y258 | I46-I218 HydrophobicContact CD1-CB 4.06Å; I46-I218 HydrophobicContact CD1-CG1 3.99Å; I46-I218 HydrophobicContact CD1-CG2 3.95Å; I46-I218 HydrophobicContact CG1-CG2 3.96Å; L215-I218 HydrophobicContact CB-CG1 4.43Å; I218-T220 HydrophobicContact CG2-CG2 4.24Å; I218-T220 PolarHBondContact O-N 3.03Å; I218-A223 VanDerWaalsContact O-CB 3.3Å; I218-A223 WeakPolarHBondContact O-CB 3.38Å; I218-A236 WeakPolarHBondContact CA-O 3.32Å; I218-A236 HydrophobicContact CD1-CB 4.02Å; I218-K238 HydrophobicContact CG2-CB 3.69Å; I218-C241 HydrophobicContact CD1-CB 4.09Å; I218-C241 HydrophobicContact CG2-CB 4.09Å; I218-Y258 HydrophobicContact CD1-CD1 3.77Å; I218-Y258 HydrophobicContact CD1-CE1 3.96Å |
| 219 | D | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | trans | -73.6 | 38.5 | -171.8 | 74.5 | -8.7 | 0 | 0 | 0 | 115.3 | A235 A236 K238 | D219-A235 HydrophobicContact CB-CB 3.87Å; D219-A236 PolarHBondContact N-O 2.89Å; D219-K238 PolarHBondContact O-NZ 3.42Å; D219-K238 VanDerWaalsContact OD1-CB 3.31Å; D219-K238 WeakPolarHBondContact OD1-CB 3.38Å; D219-K238 VanDerWaalsContact OD1-CG 3.31Å; D219-K238 WeakPolarHBondContact OD1-CG 3.47Å; D219-K238 PolarHBondContact OD1-N 3.29Å | ||
| 220 | T | 97.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.104 | 25% | 0.254 | C | S | . | . | trans | -72.3 | 145.1 | 169.3 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | I46 I218 T222 A223 M224 K238 | I46-T220 HydrophobicContact CD1-CG2 4.36Å; I46-T220 HydrophobicContact CG1-CG2 3.86Å; I218-T220 HydrophobicContact CG2-CG2 4.24Å; I218-T220 PolarHBondContact O-N 3.03Å; T220-T222 PolarHBondContact O-N 2.99Å; T220-A223 PolarHBondContact O-N 3.43Å; T220-A223 WeakPolarHBondContact OG1-CB 3.36Å; T220-A223 PolarHBondContact OG1-N 3.37Å; T220-M224 WeakPolarHBondContact O-CG 3.44Å; T220-M224 PolarHBondContact O-N 2.7Å; T220-K238 HydrophobicContact CG2-CB 4.2Å; T220-K238 HydrophobicContact CG2-CD 4.39Å | ||
| 221 | D | 96.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55 | -30.6 | 178.4 | -48.6 | -16.6 | 0 | 0 | 0 | 112.9 | K225 | D221-K225 WeakPolarHBondContact O-CB 3.37Å; D221-K225 WeakPolarHBondContact O-CG 3.37Å; D221-K225 PolarHBondContact O-N 3.47Å |
| 222 | T | 95.8 | Very high | 96.2 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.5 | -46.2 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | K44 T220 A226 | K44-T222 PolarHBondContact NZ-OG1 2.89Å; T220-T222 PolarHBondContact O-N 2.99Å; T222-A226 WeakPolarHBondContact O-CB 3.44Å; T222-A226 PolarHBondContact O-N 3.17Å; T222-A226 VanDerWaalsContact O-N 3.13Å |
| 223 | A | 95.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 58 Ų | 58 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L217 I218 T220 K225 A226 V227 | L217-A223 HydrophobicContact CD1-CB 4.15Å; I218-A223 VanDerWaalsContact O-CB 3.3Å; I218-A223 WeakPolarHBondContact O-CB 3.38Å; T220-A223 PolarHBondContact O-N 3.43Å; T220-A223 WeakPolarHBondContact OG1-CB 3.36Å; T220-A223 PolarHBondContact OG1-N 3.37Å; A223-K225 VanDerWaalsContact C-N 3.29Å; A223-K225 PolarHBondContact O-N 2.68Å; A223-A226 PolarHBondContact O-N 2.72Å; A223-V227 WeakPolarHBondContact O-CG1 3.05Å; A223-V227 WeakPolarHBondContact O-CG2 3.08Å; A223-V227 PolarHBondContact O-N 3.44Å |
| 224 | M | 97.4 | Very high | 95.6 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.8 | -38.8 | -178.9 | -67.5 | -47.9 | -50.2 | 0 | 0 | 112.7 | T220 V227 S228 A235 | T220-M224 WeakPolarHBondContact O-CG 3.44Å; T220-M224 PolarHBondContact O-N 2.7Å; M224-V227 HydrophobicContact CE-CG2 4.26Å; M224-S228 WeakPolarHBondContact O-CB 3.07Å; M224-S228 PolarHBondContact O-N 2.66Å; M224-A235 HydrophobicContact SD-CB 3.76Å |
| 225 | K | 96.3 | Very high | 95.5 | Very high | 171 Ų | 171 | 66 Ų | 66 | 74% | 0.743 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 172.7 | -74.9 | 176.4 | -176.6 | -175.7 | 0 | 112.8 | D221 A223 | D221-K225 WeakPolarHBondContact O-CB 3.37Å; D221-K225 WeakPolarHBondContact O-CG 3.37Å; D221-K225 PolarHBondContact O-N 3.47Å; A223-K225 VanDerWaalsContact C-N 3.29Å; A223-K225 PolarHBondContact O-N 2.68Å |
| 226 | A | 94.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.8 | -33 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L126 T222 A223 | L126-A226 WeakPolarHBondContact CD1-O 3.34Å; T222-A226 WeakPolarHBondContact O-CB 3.44Å; T222-A226 PolarHBondContact O-N 3.17Å; T222-A226 VanDerWaalsContact O-N 3.13Å; A223-A226 PolarHBondContact O-N 2.72Å |
| 227 | V | 94.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -91.4 | -16.8 | -177.7 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | L126 L217 A223 M224 G229 I230 I231 | L126-V227 HydrophobicContact CD1-CG1 4.3Å; L217-V227 HydrophobicContact CD1-CG1 3.87Å; L217-V227 HydrophobicContact CD1-CG2 4.48Å; L217-V227 HydrophobicContact CD2-CG2 4.42Å; A223-V227 WeakPolarHBondContact O-CG1 3.05Å; A223-V227 WeakPolarHBondContact O-CG2 3.08Å; A223-V227 PolarHBondContact O-N 3.44Å; M224-V227 HydrophobicContact CE-CG2 4.26Å; V227-G229 PolarHBondContact O-N 3.33Å; V227-I230 PolarHBondContact O-N 2.93Å; V227-I231 HydrophobicContact CB-CB 4.13Å; V227-I231 HydrophobicContact CG1-CB 4.47Å; V227-I231 HydrophobicContact CG1-CD1 4.23Å; V227-I231 PolarHBondContact O-N 3.47Å |
| 228 | S | 94.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 120.8 | -175.9 | 179 | 0 | 0 | 0 | 0 | 111.9 | M224 I230 | M224-S228 WeakPolarHBondContact O-CB 3.07Å; M224-S228 PolarHBondContact O-N 2.66Å; S228-I230 PolarHBondContact O-N 3.2Å |
| 229 | G | 93.5 | Very high | 95.5 | Very high | 89 Ų | 89 | 70.9 Ų | 70.9 | 92% | 0.918 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | V227 | V227-G229 PolarHBondContact O-N 3.33Š|
| 230 | I | 93.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -50.7 | -178 | -54.9 | 175.9 | 0 | 0 | 0 | 110.9 | L126 M179 V227 S228 | L126-I230 HydrophobicContact CB-CD1 4Å; L126-I230 HydrophobicContact CB-CG2 4.49Å; L126-I230 HydrophobicContact CD1-CB 4.01Å; L126-I230 HydrophobicContact CD1-CD1 4.13Å; L126-I230 HydrophobicContact CD1-CG2 3.73Å; M179-I230 HydrophobicContact CE-CD1 4.5Å; M179-I230 HydrophobicContact CE-CG2 3.76Å; M179-I230 HydrophobicContact SD-CG2 3.77Å; V227-I230 PolarHBondContact O-N 2.93Å; S228-I230 PolarHBondContact O-N 3.2Å |
| 231 | I | 91.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 72.3 Ų | 72.3 | 35% | 0.354 | 41% | 0.407 | S | S | . | . | trans | -116.7 | 125.4 | -179.4 | -56.8 | 178 | 0 | 0 | 0 | 108.7 | L126 V227 M233 | L126-I231 HydrophobicContact CD1-CD1 3.59Å; L126-I231 HydrophobicContact CD1-CG1 3.86Å; L126-I231 HydrophobicContact CD2-CD1 4.47Å; V227-I231 HydrophobicContact CB-CB 4.13Å; V227-I231 HydrophobicContact CG1-CB 4.47Å; V227-I231 HydrophobicContact CG1-CD1 4.23Å; V227-I231 PolarHBondContact O-N 3.47Å; I231-M233 HydrophobicContact CG2-CB 3.99Å; I231-M233 HydrophobicContact CG2-CG 3.66Å; I231-M233 HydrophobicContact CG2-SD 3.79Å | ||
| 232 | N | 91.6 | Very high | 95.7 | Very high | 169 Ų | 169 | 67.6 Ų | 67.6 | 90% | 0.904 | 38% | 0.382 | S | S | * | . | trans | -104.9 | 81.3 | 174.6 | -170.2 | 21.2 | 0 | 0 | 0 | 110.1 | ||||
| 233 | M | 90.5 | Very high | 95.8 | Very high | 106 Ų | 106 | 66.5 Ų | 66.5 | 52% | 0.522 | 37% | 0.373 | S | S | . | . | trans | -134.1 | 151.2 | 177.8 | -69.8 | 179.6 | 66.5 | 0 | 0 | 109.8 | L217 I231 | L217-M233 HydrophobicContact CD2-CB 4.18Å; I231-M233 HydrophobicContact CG2-CB 3.99Å; I231-M233 HydrophobicContact CG2-CG 3.66Å; I231-M233 HydrophobicContact CG2-SD 3.79Å | ||
| 234 | Q | 94.7 | Very high | 96 | Very high | 143 Ų | 143 | 67.9 Ų | 67.9 | 67% | 0.668 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 134.2 | 173.7 | -172.4 | 173.5 | 4.9 | 0 | 0 | 109.9 | S260 | Q234-S260 PolarHBondContact O-OG 2.79Š|
| 235 | A | 97 | Very high | 96 | Very high | 26 Ų | 26 | 64 Ų | 64 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 136.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L217 D219 M224 | L217-A235 HydrophobicContact CD2-CB 4.06Å; L217-A235 HydrophobicContact CG-CB 3.84Å; L217-A235 CarbonylContact O-C 3.54Å; L217-A235 WeakPolarHBondContact O-CA 3.32Å; D219-A235 HydrophobicContact CB-CB 3.87Å; M224-A235 HydrophobicContact SD-CB 3.76Å |
| 236 | A | 97.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 152.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L217 I218 D219 K238 Y258 | L217-A236 PolarHBondContact O-N 3.13Å; I218-A236 WeakPolarHBondContact CA-O 3.32Å; I218-A236 HydrophobicContact CD1-CB 4.02Å; D219-A236 PolarHBondContact N-O 2.89Å; A236-K238 PolarHBondContact O-N 2.86Å; A236-Y258 HydrophobicContact CB-CD1 4.31Å; A236-Y258 HydrophobicContact CB-CE1 3.5Å |
| 237 | P | 98.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 57 Ų | 57 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 129.8 | -177.1 | 26 | -33.1 | 0 | 0 | 0 | 112.5 | E239 E240 C241 Y258 | P237-E239 VanDerWaalsContact C-N 3.3Å; P237-E239 PolarHBondContact O-N 3.03Å; P237-E240 HydrophobicContact CG-CB 4.12Å; P237-E240 PolarHBondContact O-N 3.25Å; P237-C241 WeakPolarHBondContact O-CB 3.11Å; P237-C241 PolarHBondContact O-N 3.17Å; P237-Y258 WeakPolarHBondContact CD-OH 3.39Å |
| 238 | K | 98.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -29.9 | -179.4 | 62.3 | -168.4 | 171.5 | -134.6 | 0 | 113.6 | I46 E49 I218 D219 T220 A236 A242 | I46-K238 HydrophobicContact CG1-CB 4.39Å; E49-K238 HydrophobicContact CG-CD 4.41Å; E49-K238 HydrophobicContact CG-CG 4.03Å; I218-K238 HydrophobicContact CG2-CB 3.69Å; D219-K238 PolarHBondContact O-NZ 3.42Å; D219-K238 VanDerWaalsContact OD1-CB 3.31Å; D219-K238 WeakPolarHBondContact OD1-CB 3.38Å; D219-K238 VanDerWaalsContact OD1-CG 3.31Å; D219-K238 WeakPolarHBondContact OD1-CG 3.47Å; D219-K238 PolarHBondContact OD1-N 3.29Å; T220-K238 HydrophobicContact CG2-CB 4.2Å; T220-K238 HydrophobicContact CG2-CD 4.39Å; A236-K238 PolarHBondContact O-N 2.86Å; K238-A242 VanDerWaalsContact O-CB 3.29Å; K238-A242 WeakPolarHBondContact O-CB 3.42Å; K238-A242 PolarHBondContact O-N 3.19Å |
| 239 | E | 98.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | -180 | -62.6 | 74.7 | -164.1 | 0 | 0 | 110.8 | E49 H53 P237 L243 | E49-E239 HydrophobicContact CG-CG 4.43Å; H53-E239 PolarHBondContact NE2-O 3.49Å; P237-E239 VanDerWaalsContact C-N 3.3Å; P237-E239 PolarHBondContact O-N 3.03Å; E239-L243 PolarHBondContact O-N 3.07Å |
| 240 | E | 98 | Very high | 96.9 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.6 | -40.4 | 176.3 | -174.3 | -176.3 | -157.2 | 0 | 0 | 111 | P237 A242 L243 E244 Y258 | P237-E240 HydrophobicContact CG-CB 4.12Å; P237-E240 PolarHBondContact O-N 3.25Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.14Å; E240-L243 WeakPolarHBondContact O-CB 3.38Å; E240-L243 PolarHBondContact O-N 3.39Å; E240-E244 HydrophobicContact CG-CG 4.43Å; E240-E244 PolarHBondContact O-N 3.45Å; E240-Y258 WeakPolarHBondContact CB-OH 3.29Å; E240-Y258 HydrophobicContact CG-CE2 3.91Å; E240-Y258 PolarHBondContact OE2-OH 3.32Å |
| 241 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.6 | -47.9 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 112 | I218 P237 L243 E244 I245 Y258 | I218-C241 HydrophobicContact CD1-CB 4.09Å; I218-C241 HydrophobicContact CG2-CB 4.09Å; P237-C241 WeakPolarHBondContact O-CB 3.11Å; P237-C241 PolarHBondContact O-N 3.17Å; C241-L243 VanDerWaalsContact C-N 3.31Å; C241-L243 PolarHBondContact O-N 2.97Å; C241-E244 PolarHBondContact O-N 2.96Å; C241-I245 WeakPolarHBondContact O-CD1 3.47Å; C241-I245 VanDerWaalsContact O-CG1 3.25Å; C241-I245 WeakPolarHBondContact O-CG1 3.3Å; C241-I245 PolarHBondContact O-N 3.45Å; C241-I245 VanDerWaalsContact O-N 3.08Å; C241-Y258 HydrophobicContact CB-CD1 3.65Å; C241-Y258 HydrophobicContact CB-CE1 3.46Å; C241-Y258 VanDerWaalsContact CB-CE1 3.46Å |
| 242 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I46 E49 M50 K238 E240 I246 | I46-A242 HydrophobicContact CG2-CB 4.23Å; E49-A242 HydrophobicContact CB-CB 3.59Å; M50-A242 HydrophobicContact CB-CB 4.4Å; M50-A242 HydrophobicContact CG-CB 3.57Å; K238-A242 VanDerWaalsContact O-CB 3.29Å; K238-A242 WeakPolarHBondContact O-CB 3.42Å; K238-A242 PolarHBondContact O-N 3.19Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.14Å; A242-I246 WeakPolarHBondContact O-CG1 3.39Å; A242-I246 PolarHBondContact O-N 2.82Å |
| 243 | L | 98.7 | Very high | 97.8 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -47 | 177.1 | 180 | 60.1 | 0 | 0 | 0 | 111.4 | F27 M57 E239 E240 C241 I245 I246 K247 | F27-L243 HydrophobicContact CE1-CD1 4.4Å; M57-L243 HydrophobicContact CE-CD1 3.6Å; E239-L243 PolarHBondContact O-N 3.07Å; E240-L243 WeakPolarHBondContact O-CB 3.38Å; E240-L243 PolarHBondContact O-N 3.39Å; C241-L243 VanDerWaalsContact C-N 3.31Å; C241-L243 PolarHBondContact O-N 2.97Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 3.44Å; L243-I246 PolarHBondContact O-N 2.92Å; L243-I246 VanDerWaalsContact O-N 3.12Å; L243-K247 HydrophobicContact CD1-CG 4.32Å; L243-K247 HydrophobicContact CG-CD 4.35Å; L243-K247 HydrophobicContact CG-CG 4.38Å; L243-K247 VanDerWaalsContact O-CG 3.32Å; L243-K247 WeakPolarHBondContact O-CG 3.14Å; L243-K247 PolarHBondContact O-N 3.11Å |
| 244 | E | 98.5 | Very high | 98.1 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.9 | -34.4 | 179.4 | -67.9 | -53.5 | 125.4 | 0 | 0 | 112.7 | E240 C241 K247 G248 Y258 | E240-E244 HydrophobicContact CG-CG 4.43Å; E240-E244 PolarHBondContact O-N 3.45Å; C241-E244 PolarHBondContact O-N 2.96Å; E244-K247 PolarHBondContact O-N 2.93Å; E244-K247 WeakPolarHBondContact OE1-CD 3.24Å; E244-K247 IonicContact OE1-NZ 2.93Å; E244-K247 PolarHBondContact OE1-NZ 3.22Å; E244-G248 PolarHBondContact O-N 3.04Å; E244-Y258 HydrophobicContact CB-CD2 4.1Å; E244-Y258 HydrophobicContact CG-CD2 3.77Å; E244-Y258 HydrophobicContact CG-CE2 3.98Å |
| 245 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 172 | -68.1 | 162.7 | 0 | 0 | 0 | 111 | I46 M50 V166 V168 C213 L215 C241 L243 G248 G249 | I46-I245 HydrophobicContact CG2-CD1 3.56Å; M50-I245 HydrophobicContact SD-CB 4.01Å; M50-I245 HydrophobicContact SD-CD1 4.15Å; M50-I245 HydrophobicContact SD-CG2 3.48Å; M50-I245 WeakPolarHBondContact SD-CG2 3.32Å; V166-I245 HydrophobicContact CG1-CG2 3.53Å; V168-I245 HydrophobicContact CG2-CD1 4.31Å; V168-I245 HydrophobicContact CG2-CG2 4.36Å; C213-I245 HydrophobicContact CB-CG1 4.12Å; L215-I245 HydrophobicContact CD1-CD1 3.93Å; L215-I245 HydrophobicContact CD2-CD1 4.23Å; L215-I245 HydrophobicContact CD2-CG1 4.23Å; C241-I245 WeakPolarHBondContact O-CD1 3.47Å; C241-I245 VanDerWaalsContact O-CG1 3.25Å; C241-I245 WeakPolarHBondContact O-CG1 3.3Å; C241-I245 PolarHBondContact O-N 3.45Å; C241-I245 VanDerWaalsContact O-N 3.08Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 3.44Å; I245-G248 PolarHBondContact O-N 3.21Å; I245-G249 PolarHBondContact O-N 3.11Å; I245-G249 VanDerWaalsContact O-N 3.09Å |
| 246 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 178.5 | -67.9 | 162 | 0 | 0 | 0 | 110.5 | F27 L32 M50 H53 L54 M57 A242 L243 G248 G249 A250 | F27-I246 HydrophobicContact CE2-CG2 4.43Å; L32-I246 HydrophobicContact CD2-CG2 4.25Å; L32-I246 HydrophobicContact CG-CG2 4.12Å; M50-I246 HydrophobicContact CB-CD1 4.17Å; M50-I246 HydrophobicContact CG-CD1 4.23Å; M50-I246 HydrophobicContact CG-CG1 4.29Å; H53-I246 HydrophobicContact CB-CD1 3.57Å; L54-I246 HydrophobicContact CD2-CD1 4.28Å; L54-I246 HydrophobicContact CD2-CG1 4.38Å; L54-I246 HydrophobicContact CD2-CG2 4.13Å; L54-I246 HydrophobicContact CG-CD1 3.89Å; L54-I246 HydrophobicContact CG-CG1 4.35Å; M57-I246 HydrophobicContact SD-CG2 4.23Å; A242-I246 WeakPolarHBondContact O-CG1 3.39Å; A242-I246 PolarHBondContact O-N 2.82Å; L243-I246 PolarHBondContact O-N 2.92Å; L243-I246 VanDerWaalsContact O-N 3.12Å; I246-G248 PolarHBondContact O-N 3.47Å; I246-G249 PolarHBondContact O-N 2.94Å; I246-A250 WeakPolarHBondContact O-CB 3.14Å; I246-A250 PolarHBondContact O-N 3.48Å |
| 247 | K | 98.6 | Very high | 98.3 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -51.4 | 178.1 | -70.5 | -177 | 179.2 | 162.2 | 0 | 111.4 | F27 L243 E244 G249 A250 L251 | F27-K247 HydrophobicContact CB-CB 4.38Å; F27-K247 HydrophobicContact CB-CD 4.23Å; F27-K247 HydrophobicContact CB-CG 3.99Å; F27-K247 HydrophobicContact CD1-CD 4.14Å; F27-K247 HydrophobicContact CD1-CG 3.73Å; F27-K247 HydrophobicContact CD2-CB 4.01Å; F27-K247 HydrophobicContact CD2-CG 3.67Å; F27-K247 HydrophobicContact CE1-CG 4.04Å; F27-K247 HydrophobicContact CE2-CB 4.47Å; F27-K247 HydrophobicContact CE2-CG 3.96Å; F27-K247 HydrophobicContact CG-CB 4.18Å; F27-K247 HydrophobicContact CG-CD 4.13Å; F27-K247 HydrophobicContact CG-CG 3.51Å; F27-K247 HydrophobicContact CZ-CG 4.15Å; L243-K247 HydrophobicContact CD1-CG 4.32Å; L243-K247 HydrophobicContact CG-CD 4.35Å; L243-K247 HydrophobicContact CG-CG 4.38Å; L243-K247 VanDerWaalsContact O-CG 3.32Å; L243-K247 WeakPolarHBondContact O-CG 3.14Å; L243-K247 PolarHBondContact O-N 3.11Å; E244-K247 PolarHBondContact O-N 2.93Å; E244-K247 WeakPolarHBondContact OE1-CD 3.24Å; E244-K247 IonicContact OE1-NZ 2.93Å; E244-K247 PolarHBondContact OE1-NZ 3.22Å; K247-G249 VanDerWaalsContact C-N 3.3Å; K247-G249 PolarHBondContact O-N 2.91Å; K247-A250 PolarHBondContact O-N 3.16Å; K247-L251 VanDerWaalsContact O-CB 3.31Å; K247-L251 WeakPolarHBondContact O-CB 3.47Å; K247-L251 VanDerWaalsContact O-CG 3.3Å; K247-L251 WeakPolarHBondContact O-CG 3.44Å; K247-L251 PolarHBondContact O-N 3.34Å |
| 248 | G | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T211 E244 I245 I246 R252 Q253 | T211-G248 PolarHBondContact OG1-O 3.37Å; E244-G248 PolarHBondContact O-N 3.04Å; I245-G248 PolarHBondContact O-N 3.21Å; I246-G248 PolarHBondContact O-N 3.47Å; G248-R252 PolarHBondContact O-N 2.94Å; G248-R252 VanDerWaalsContact O-N 3.08Å; G248-Q253 PolarHBondContact O-N 2.98Å |
| 249 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S164 I245 I246 K247 R252 | S164-G249 PolarHBondContact OG-O 3.26Å; I245-G249 PolarHBondContact O-N 3.11Å; I245-G249 VanDerWaalsContact O-N 3.09Å; I246-G249 PolarHBondContact O-N 2.94Å; K247-G249 VanDerWaalsContact C-N 3.3Å; K247-G249 PolarHBondContact O-N 2.91Å; G249-R252 PolarHBondContact O-N 2.77Å; G249-R252 VanDerWaalsContact O-N 3.1Å |
| 250 | A | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 15% | 0.149 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F27 L32 M115 I246 K247 R252 | F27-A250 HydrophobicContact CD2-CB 4.23Å; F27-A250 HydrophobicContact CE2-CB 4.12Å; L32-A250 HydrophobicContact CD2-CB 3.66Å; M115-A250 HydrophobicContact CE-CB 4.33Å; I246-A250 WeakPolarHBondContact O-CB 3.14Å; I246-A250 PolarHBondContact O-N 3.48Å; K247-A250 PolarHBondContact O-N 3.16Å; A250-R252 PolarHBondContact O-N 3.05Å |
| 251 | L | 98.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.9 | 173.7 | -64.3 | 179.6 | 0 | 0 | 0 | 113.1 | E25 F27 M31 K247 Q253 | E25-L251 HydrophobicContact CB-CD2 3.98Å; E25-L251 WeakPolarHBondContact O-CD2 3.41Å; F27-L251 HydrophobicContact CB-CD1 4.14Å; F27-L251 HydrophobicContact CB-CG 4.39Å; M31-L251 HydrophobicContact CE-CD2 4.12Å; M31-L251 HydrophobicContact SD-CD2 4.22Å; K247-L251 VanDerWaalsContact O-CB 3.31Å; K247-L251 WeakPolarHBondContact O-CB 3.47Å; K247-L251 VanDerWaalsContact O-CG 3.3Å; K247-L251 WeakPolarHBondContact O-CG 3.44Å; K247-L251 PolarHBondContact O-N 3.34Å; L251-Q253 HydrophobicContact CB-CG 4.06Å; L251-Q253 PolarHBondContact O-N 2.95Å; L251-Q253 VanDerWaalsContact O-N 3.15Å |
| 252 | R | 98.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 32% | 0.317 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 30.3 | 176.5 | -52.4 | 177.9 | 70.6 | 80.9 | -13.6 | 113.6 | N162 G163 S164 N207 S209 G248 G249 A250 | N162-R252 PolarHBondContact O-NH1 3.17Å; N162-R252 PolarHBondContact O-NH2 3.48Å; G163-R252 PolarHBondContact O-NH1 3.35Å; S164-R252 PolarHBondContact OG-NH1 3.2Å; N207-R252 PolarHBondContact O-NH2 3.35Å; N207-R252 PolarHBondContact OD1-NH2 3.29Å; S209-R252 PolarHBondContact OG-NH1 2.79Å; G248-R252 PolarHBondContact O-N 2.94Å; G248-R252 VanDerWaalsContact O-N 3.08Å; G249-R252 PolarHBondContact O-N 2.77Å; G249-R252 VanDerWaalsContact O-N 3.1Å; A250-R252 PolarHBondContact O-N 3.05Å |
| 253 | Q | 97.3 | Very high | 97 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | trans | -65.3 | 142.7 | 178.1 | -65.4 | 176.6 | -5.9 | 0 | 0 | 110.2 | T211 G248 L251 | T211-Q253 VanDerWaalsContact CA-O 3.28Å; T211-Q253 WeakPolarHBondContact CA-O 3.45Å; T211-Q253 WeakPolarHBondContact CB-O 3.34Å; T211-Q253 WeakPolarHBondContact CG2-O 3.38Å; T211-Q253 PolarHBondContact OG1-O 3.09Å; G248-Q253 PolarHBondContact O-N 2.98Å; L251-Q253 HydrophobicContact CB-CG 4.06Å; L251-Q253 PolarHBondContact O-N 2.95Å; L251-Q253 VanDerWaalsContact O-N 3.15Å | ||
| 254 | E | 98.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -67.2 | -39 | 177.7 | -64.1 | -166.2 | 158.6 | 0 | 0 | 112.1 | R198 T211 L212 K274 | R198-E254 PolarHBondContact NH2-O 3.44Å; T211-E254 WeakPolarHBondContact CA-O 3.49Å; L212-E254 PolarHBondContact N-O 3.23Å; E254-K274 IonicContact OE2-NZ 2.75Å; E254-K274 PolarHBondContact OE2-NZ 2.94Å |
| 255 | E | 98.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.9 | -176.4 | -62.4 | -177.4 | 132.9 | 0 | 0 | 110.8 | K174 L212 Y257 K274 | K174-E255 WeakPolarHBondContact CE-OE1 3.23Å; K174-E255 IonicContact NZ-OE1 2.69Å; K174-E255 PolarHBondContact NZ-OE1 3.23Å; L212-E255 HydrophobicContact CB-CG 4.36Å; L212-E255 VanDerWaalsContact O-CA 3.23Å; L212-E255 WeakPolarHBondContact O-CA 3.37Å; E255-Y257 HydrophobicContact CB-CD2 4.49Å; E255-Y257 HydrophobicContact CB-CE2 3.8Å; E255-Y257 PolarHBondContact OE2-OH 3.09Å; E255-K274 IonicContact OE2-NZ 3.41Å |
| 256 | V | 97.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.5 | 171.5 | 173.9 | 0 | 0 | 0 | 0 | 107.8 | T211 L212 C213 V214 | T211-V256 HydrophobicContact CG2-CG2 3.66Å; L212-V256 PolarHBondContact O-N 3.23Å; C213-V256 CarbonylContact C-O 3.53Å; C213-V256 WeakPolarHBondContact CA-O 3.3Å; C213-V256 HydrophobicContact CB-CB 4.31Å; V214-V256 PolarHBondContact N-O 3.48Å |
| 257 | Y | 97.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.6 | 175 | -65.2 | -89.2 | 0 | 0 | 0 | 109 | V214 E255 M268 R269 | V214-Y257 HydrophobicContact CB-CD1 3.65Å; V214-Y257 HydrophobicContact CB-CE1 3.78Å; V214-Y257 HydrophobicContact CB-CG 4.5Å; V214-Y257 HydrophobicContact CG1-CD1 3.91Å; V214-Y257 HydrophobicContact CG1-CE1 3.97Å; V214-Y257 HydrophobicContact CG2-CD1 4.21Å; V214-Y257 HydrophobicContact CG2-CE1 3.84Å; E255-Y257 HydrophobicContact CB-CD2 4.49Å; E255-Y257 HydrophobicContact CB-CE2 3.8Å; E255-Y257 PolarHBondContact OE2-OH 3.09Å; Y257-M268 HydrophobicContact CD1-CB 3.72Å; Y257-M268 HydrophobicContact CE1-CB 3.44Å; Y257-M268 VanDerWaalsContact CE1-CB 3.44Å; Y257-M268 WeakPolarHBondContact CE1-O 3.33Å; Y257-M268 PolarHBondContact OH-O 3.12Å; Y257-R269 HydrophobicContact CD2-CG 4.37Å; Y257-R269 HydrophobicContact CE2-CG 4.06Å |
| 258 | Y | 97.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 117.5 | 178.1 | -173.8 | -93.8 | 0 | 0 | 0 | 109.9 | V214 L215 G216 I218 A236 P237 E240 C241 E244 | V214-Y258 PolarHBondContact O-N 3.15Å; L215-Y258 WeakPolarHBondContact CA-O 3.16Å; G216-Y258 PolarHBondContact N-O 3.3Å; I218-Y258 HydrophobicContact CD1-CD1 3.77Å; I218-Y258 HydrophobicContact CD1-CE1 3.96Å; A236-Y258 HydrophobicContact CB-CD1 4.31Å; A236-Y258 HydrophobicContact CB-CE1 3.5Å; P237-Y258 WeakPolarHBondContact CD-OH 3.39Å; E240-Y258 WeakPolarHBondContact CB-OH 3.29Å; E240-Y258 HydrophobicContact CG-CE2 3.91Å; E240-Y258 PolarHBondContact OE2-OH 3.32Å; C241-Y258 HydrophobicContact CB-CD1 3.65Å; C241-Y258 HydrophobicContact CB-CE1 3.46Å; C241-Y258 VanDerWaalsContact CB-CE1 3.46Å; E244-Y258 HydrophobicContact CB-CD2 4.1Å; E244-Y258 HydrophobicContact CG-CD2 3.77Å; E244-Y258 HydrophobicContact CG-CE2 3.98Å |
| 259 | D | 96.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | trans | -152.4 | 157.2 | -179.6 | -177.2 | 54.3 | 0 | 0 | 0 | 108.6 | G216 S261 T264 T265 | G216-D259 VanDerWaalsContact CA-OD1 3.32Å; G216-D259 WeakPolarHBondContact CA-OD1 3.32Å; D259-S261 PolarHBondContact O-N 3.29Å; D259-S261 VanDerWaalsContact OD2-CB 3.32Å; D259-S261 WeakPolarHBondContact OD2-CB 3.41Å; D259-S261 PolarHBondContact OD2-N 3.39Å; D259-T264 HydrophobicContact CB-CG2 4.27Å; D259-T264 WeakPolarHBondContact OD2-CB 3.44Å; D259-T264 PolarHBondContact OD2-OG1 3.42Å; D259-T265 HydrophobicContact CB-CG2 4.09Å | ||
| 260 | S | 94 | Very high | 93.6 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -67.5 | -20.8 | 176.4 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | Q234 | Q234-S260 PolarHBondContact O-OG 2.79Š|
| 261 | S | 94.4 | Very high | 93.3 | Very high | 41 Ų | 41 | 69.6 Ų | 69.6 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | trans | -104 | 121.3 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 112 | D259 W263 T264 T265 | D259-S261 PolarHBondContact O-N 3.29Å; D259-S261 VanDerWaalsContact OD2-CB 3.32Å; D259-S261 WeakPolarHBondContact OD2-CB 3.41Å; D259-S261 PolarHBondContact OD2-N 3.39Å; S261-W263 PolarHBondContact O-N 3.17Å; S261-W263 PolarHBondContact OG-N 2.94Å; S261-T264 WeakPolarHBondContact CB-OG1 3.37Å; S261-T264 WeakPolarHBondContact O-CB 3.45Å; S261-T264 PolarHBondContact O-N 3.23Å; S261-T265 PolarHBondContact O-N 2.92Å | ||
| 262 | L | 89.7 | Confident | 93.2 | Very high | 143 Ų | 143 | 71.8 Ų | 71.8 | 75% | 0.749 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.5 | -27.1 | 173 | -67.1 | 174.9 | 0 | 0 | 0 | 112.9 | T264 T265 L266 | L262-T264 VanDerWaalsContact C-N 3.34Å; L262-T265 PolarHBondContact O-N 3.1Å; L262-T265 PolarHBondContact O-OG1 2.77Å; L262-L266 PolarHBondContact O-N 3.33Å; L262-L266 VanDerWaalsContact O-N 3.09Å |
| 263 | W | 91.4 | Very high | 93.1 | Very high | 188 Ų | 188 | 71 Ų | 71 | 71% | 0.712 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 175.9 | -66.6 | 112.2 | 0 | 0 | 0 | 111.4 | S261 L266 L267 | S261-W263 PolarHBondContact O-N 3.17Å; S261-W263 PolarHBondContact OG-N 2.94Å; W263-L266 HydrophobicContact CE3-CD2 4.4Å; W263-L266 HydrophobicContact CZ3-CD2 4.37Å; W263-L266 PolarHBondContact O-N 3.46Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 VanDerWaalsContact O-CG 3.28Å; W263-L267 WeakPolarHBondContact O-CG 3.49Å; W263-L267 PolarHBondContact O-N 3.47Å |
| 264 | T | 88.7 | Confident | 92.7 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 17% | 0.172 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 175.9 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | L171 D259 S261 L262 L266 L267 M268 | L171-T264 HydrophobicContact CD1-CG2 3.62Å; L171-T264 HydrophobicContact CD2-CG2 3.48Å; L171-T264 VanDerWaalsContact CD2-CG2 3.48Å; L171-T264 HydrophobicContact CG-CG2 4.21Å; D259-T264 HydrophobicContact CB-CG2 4.27Å; D259-T264 WeakPolarHBondContact OD2-CB 3.44Å; D259-T264 PolarHBondContact OD2-OG1 3.42Å; S261-T264 WeakPolarHBondContact CB-OG1 3.37Å; S261-T264 WeakPolarHBondContact O-CB 3.45Å; S261-T264 PolarHBondContact O-N 3.23Å; L262-T264 VanDerWaalsContact C-N 3.34Å; T264-L266 VanDerWaalsContact C-N 3.27Å; T264-L266 PolarHBondContact O-N 3.38Å; T264-L267 PolarHBondContact O-N 2.92Å; T264-M268 HydrophobicContact CG2-CG 4.14Å; T264-M268 WeakPolarHBondContact O-CB 3.33Å; T264-M268 WeakPolarHBondContact O-CG 3.39Å; T264-M268 PolarHBondContact O-N 3.39Å; T264-M268 VanDerWaalsContact O-N 3.15Å |
| 265 | T | 82.8 | Confident | 92.5 | Very high | 24 Ų | 24 | 71.1 Ų | 71.1 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -29.7 | -178.2 | 63.3 | 0 | 0 | 0 | 0 | 113 | D259 S261 L262 | D259-T265 HydrophobicContact CB-CG2 4.09Å; S261-T265 PolarHBondContact O-N 2.92Å; L262-T265 PolarHBondContact O-N 3.1Å; L262-T265 PolarHBondContact O-OG1 2.77Å |
| 266 | L | 86.2 | Confident | 92.4 | Very high | 108 Ų | 108 | 74 Ų | 74 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -72.2 | -48 | 174.1 | -175.7 | 64.8 | 0 | 0 | 0 | 112.2 | L262 W263 T264 M268 | L262-L266 PolarHBondContact O-N 3.33Å; L262-L266 VanDerWaalsContact O-N 3.09Å; W263-L266 HydrophobicContact CE3-CD2 4.4Å; W263-L266 HydrophobicContact CZ3-CD2 4.37Å; W263-L266 PolarHBondContact O-N 3.46Å; T264-L266 VanDerWaalsContact C-N 3.27Å; T264-L266 PolarHBondContact O-N 3.38Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 2.65Å |
| 267 | L | 92.3 | Very high | 92.2 | Very high | 128 Ų | 128 | 75.9 Ų | 75.9 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72.3 | -22.8 | -173.3 | -68.8 | 173 | 0 | 0 | 0 | 113.4 | W263 T264 R269 | W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 VanDerWaalsContact O-CG 3.28Å; W263-L267 WeakPolarHBondContact O-CG 3.49Å; W263-L267 PolarHBondContact O-N 3.47Å; T264-L267 PolarHBondContact O-N 2.92Å; L267-R269 PolarHBondContact O-N 3.24Å |
| 268 | M | 91.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 81.2 Ų | 81.2 | 16% | 0.163 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.8 | -175 | -67.8 | -62.8 | 101.4 | 0 | 0 | 115.4 | L171 K174 V175 Y257 T264 L266 N270 | L171-M268 HydrophobicContact CD2-CG 3.72Å; L171-M268 HydrophobicContact CD2-SD 4.17Å; K174-M268 HydrophobicContact CB-SD 4.44Å; V175-M268 HydrophobicContact CG1-CE 3.87Å; V175-M268 HydrophobicContact CG1-SD 3.83Å; V175-M268 HydrophobicContact CG2-SD 4.29Å; Y257-M268 HydrophobicContact CD1-CB 3.72Å; Y257-M268 HydrophobicContact CE1-CB 3.44Å; Y257-M268 VanDerWaalsContact CE1-CB 3.44Å; Y257-M268 WeakPolarHBondContact CE1-O 3.33Å; Y257-M268 PolarHBondContact OH-O 3.12Å; T264-M268 HydrophobicContact CG2-CG 4.14Å; T264-M268 WeakPolarHBondContact O-CB 3.33Å; T264-M268 WeakPolarHBondContact O-CG 3.39Å; T264-M268 PolarHBondContact O-N 3.39Å; T264-M268 VanDerWaalsContact O-N 3.15Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 2.65Å; M268-N270 VanDerWaalsContact C-N 3.32Å; M268-N270 PolarHBondContact O-N 2.87Å |
| 269 | R | 85.1 | Confident | 91.8 | Very high | 156 Ų | 156 | 85 Ų | 85 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.9 | -172.4 | -67.2 | -175.9 | 178 | -156.4 | -2.9 | 115.8 | Y257 L267 | Y257-R269 HydrophobicContact CD2-CG 4.37Å; Y257-R269 HydrophobicContact CE2-CG 4.06Å; L267-R269 PolarHBondContact O-N 3.24Å |
| 270 | N | 92.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 91 Ų | 91 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | trans | 32 | 69 | 175.7 | -166 | -14.4 | 0 | 0 | 0 | 115.4 | M268 C272 R273 | M268-N270 VanDerWaalsContact C-N 3.32Å; M268-N270 PolarHBondContact O-N 2.87Å; N270-C272 PolarHBondContact O-N 2.7Å; N270-R273 HydrophobicContact CB-CB 4.5Å; N270-R273 PolarHBondContact O-N 3.22Å; N270-R273 PolarHBondContact OD1-N 3.39Å | ||
| 271 | P | 92.1 | Very high | 91.4 | Very high | 86 Ų | 86 | 91.9 Ų | 91.9 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.1 | -29.8 | -177.7 | 25.4 | -34.6 | 0 | 0 | 0 | 113.1 | R273 K274 I275 | P271-R273 VanDerWaalsContact C-N 3.32Å; P271-R273 PolarHBondContact O-N 3.04Å; P271-K274 PolarHBondContact O-N 2.79Å; P271-I275 WeakPolarHBondContact O-CG1 3.28Å; P271-I275 PolarHBondContact O-N 3.29Å |
| 272 | C | 95.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 95.1 Ų | 95.1 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 112 | N270 I275 L276 | N270-C272 PolarHBondContact O-N 2.7Å; C272-I275 PolarHBondContact O-N 3.27Å; C272-L276 WeakPolarHBondContact O-CG 3.11Å; C272-L276 PolarHBondContact O-N 3.29Å |
| 273 | R | 94.8 | Very high | 91.3 | Very high | 66 Ų | 66 | 92.8 Ų | 92.8 | 25% | 0.249 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.8 | 174.1 | 177.7 | 166.4 | -175.9 | -6.3 | 111.8 | D191 S195 N270 P271 I275 L276 E277 | D191-R273 VanDerWaalsContact CG-NH1 3.29Å; D191-R273 IonicContact OD1-CZ 3.11Å; D191-R273 IonicContact OD1-NH1 2.82Å; D191-R273 PolarHBondContact OD1-NH1 3.05Å; D191-R273 VanDerWaalsContact OD1-NH1 3.11Å; D191-R273 IonicContact OD1-NH2 3.63Å; D191-R273 PolarHBondContact OD1-NH2 2.96Å; D191-R273 IonicContact OD2-CZ 3.72Å; D191-R273 IonicContact OD2-NH1 2.7Å; D191-R273 PolarHBondContact OD2-NH1 3.35Å; D191-R273 IonicContact OD2-NH2 3.85Å; S195-R273 VanDerWaalsContact CB-NH2 3.32Å; S195-R273 PolarHBondContact OG-NH2 3.33Å; S195-R273 VanDerWaalsContact OG-NH2 3.11Å; N270-R273 HydrophobicContact CB-CB 4.5Å; N270-R273 PolarHBondContact O-N 3.22Å; N270-R273 PolarHBondContact OD1-N 3.39Å; P271-R273 VanDerWaalsContact C-N 3.32Å; P271-R273 PolarHBondContact O-N 3.04Å; R273-I275 VanDerWaalsContact C-N 3.33Å; R273-I275 PolarHBondContact O-N 3.26Å; R273-L276 PolarHBondContact O-N 3.45Å; R273-E277 HydrophobicContact CG-CG 4.38Å; R273-E277 WeakPolarHBondContact CG-OE1 3.28Å; R273-E277 IonicContact CZ-OE1 3.63Å; R273-E277 IonicContact NE-OE1 2.79Å; R273-E277 PolarHBondContact NE-OE1 3.31Å; R273-E277 IonicContact NH2-OE1 2.91Å; R273-E277 WeakPolarHBondContact O-CG 3.26Å; R273-E277 PolarHBondContact O-N 3.03Å |
| 274 | K | 90.9 | Very high | 91.3 | Very high | 58 Ų | 58 | 91 Ų | 91 | 25% | 0.252 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | -179.7 | -63.2 | -67.9 | -173.7 | -179.1 | 0 | 111.8 | E254 E255 P271 F278 | E254-K274 IonicContact OE2-NZ 2.75Å; E254-K274 PolarHBondContact OE2-NZ 2.94Å; E255-K274 IonicContact OE2-NZ 3.41Å; P271-K274 PolarHBondContact O-N 2.79Å; K274-F278 WeakPolarHBondContact O-CB 2.96Å; K274-F278 PolarHBondContact O-N 3.38Å |
| 275 | I | 93.3 | Very high | 91.3 | Very high | 99 Ų | 99 | 94.3 Ų | 94.3 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 176.1 | -67.5 | 165.9 | 0 | 0 | 0 | 110.3 | P271 C272 R273 F278 L279 | P271-I275 WeakPolarHBondContact O-CG1 3.28Å; P271-I275 PolarHBondContact O-N 3.29Å; C272-I275 PolarHBondContact O-N 3.27Å; R273-I275 VanDerWaalsContact C-N 3.33Å; R273-I275 PolarHBondContact O-N 3.26Å; I275-F278 PolarHBondContact O-N 2.93Å; I275-L279 HydrophobicContact CG2-CD1 3.78Å; I275-L279 HydrophobicContact CG2-CG 4.31Å; I275-L279 VanDerWaalsContact O-CG 3.28Å; I275-L279 WeakPolarHBondContact O-CG 3.48Å; I275-L279 PolarHBondContact O-N 3.43Å |
| 276 | L | 95.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 95.2 Ų | 95.2 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 179.1 | -71.2 | 172.2 | 0 | 0 | 0 | 111.9 | C272 R273 F278 L279 Y280 | C272-L276 WeakPolarHBondContact O-CG 3.11Å; C272-L276 PolarHBondContact O-N 3.29Å; R273-L276 PolarHBondContact O-N 3.45Å; L276-F278 VanDerWaalsContact C-N 3.26Å; L276-F278 PolarHBondContact O-N 3.36Å; L276-L279 PolarHBondContact O-N 3.48Å; L276-Y280 HydrophobicContact CB-CD2 4.39Å; L276-Y280 HydrophobicContact CB-CE2 4.32Å; L276-Y280 HydrophobicContact CD2-CE2 4.07Å; L276-Y280 WeakPolarHBondContact O-CD2 3.41Å; L276-Y280 PolarHBondContact O-N 3.03Å |
| 277 | E | 94.2 | Very high | 91.2 | Very high | 48 Ų | 48 | 95 Ų | 95 | 22% | 0.224 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -56.5 | -40.9 | 176.6 | -72.8 | 174.2 | -169.9 | 0 | 0 | 112.3 | K199 R273 L281 | K199-E277 WeakPolarHBondContact CE-OE2 3.44Å; K199-E277 IonicContact NZ-OE2 2.93Å; K199-E277 PolarHBondContact NZ-OE2 2.96Å; R273-E277 HydrophobicContact CG-CG 4.38Å; R273-E277 WeakPolarHBondContact CG-OE1 3.28Å; R273-E277 IonicContact CZ-OE1 3.63Å; R273-E277 IonicContact NE-OE1 2.79Å; R273-E277 PolarHBondContact NE-OE1 3.31Å; R273-E277 IonicContact NH2-OE1 2.91Å; R273-E277 WeakPolarHBondContact O-CG 3.26Å; R273-E277 PolarHBondContact O-N 3.03Å; E277-L281 PolarHBondContact O-N 3.34Å |
| 278 | F | 91.9 | Very high | 90.8 | Very high | 151 Ų | 151 | 98.3 Ų | 98.3 | 66% | 0.662 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.5 | -44.5 | 177.4 | 175.8 | -99.7 | 0 | 0 | 0 | 112.1 | K274 I275 L276 Y280 P282 | K274-F278 WeakPolarHBondContact O-CB 2.96Å; K274-F278 PolarHBondContact O-N 3.38Å; I275-F278 PolarHBondContact O-N 2.93Å; L276-F278 VanDerWaalsContact C-N 3.26Å; L276-F278 PolarHBondContact O-N 3.36Å; F278-Y280 PolarHBondContact O-N 3.2Å; F278-P282 WeakPolarHBondContact O-CD 3.48Å |
| 279 | L | 94.5 | Very high | 90.1 | Very high | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.9 | -32.8 | -178.3 | -70.3 | 174.8 | 0 | 0 | 0 | 113.1 | I275 L276 P282 | I275-L279 HydrophobicContact CG2-CD1 3.78Å; I275-L279 HydrophobicContact CG2-CG 4.31Å; I275-L279 VanDerWaalsContact O-CG 3.28Å; I275-L279 WeakPolarHBondContact O-CG 3.48Å; I275-L279 PolarHBondContact O-N 3.43Å; L276-L279 PolarHBondContact O-N 3.48Å; L279-P282 WeakPolarHBondContact O-CD 3.26Å |
| 280 | Y | 92.6 | Very high | 89.1 | Confident | 142 Ų | 142 | 103.4 Ų | 103.4 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -82.7 | -20.7 | -179.7 | -74.8 | -61.6 | 0 | 0 | 0 | 114.1 | L276 F278 S283 Y284 | L276-Y280 HydrophobicContact CB-CD2 4.39Å; L276-Y280 HydrophobicContact CB-CE2 4.32Å; L276-Y280 HydrophobicContact CD2-CE2 4.07Å; L276-Y280 WeakPolarHBondContact O-CD2 3.41Å; L276-Y280 PolarHBondContact O-N 3.03Å; F278-Y280 PolarHBondContact O-N 3.2Å; Y280-S283 VanDerWaalsContact O-CB 3.26Å; Y280-S283 WeakPolarHBondContact O-CB 3.17Å; Y280-S283 PolarHBondContact O-N 3Å; Y280-S283 PolarHBondContact O-OG 3.36Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.38Å |
| 281 | L | 89.5 | Confident | 87 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -58 | -42.1 | -175.5 | -172.8 | 65.4 | 0 | 0 | 0 | 113.8 | V203 E277 S283 Y284 M286 | V203-L281 HydrophobicContact CG1-CD1 4.21Å; E277-L281 PolarHBondContact O-N 3.34Å; L281-S283 PolarHBondContact O-N 3.41Å; L281-Y284 PolarHBondContact O-N 3.02Å; L281-M286 HydrophobicContact CD1-CE 3.87Å |
| 282 | P | 90.8 | Very high | 84.7 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 71% | 0.714 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -66 | -15.7 | 176.3 | -21.9 | 34.9 | 0 | 0 | 0 | 114.6 | F278 L279 Y284 | F278-P282 WeakPolarHBondContact O-CD 3.48Å; L279-P282 WeakPolarHBondContact O-CD 3.26Å; P282-Y284 PolarHBondContact O-N 3.4Å |
| 283 | S | 92.8 | Very high | 84.1 | Confident | 94 Ų | 94 | 116.4 Ų | 116.4 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -73.5 | -10.9 | 178.9 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | Y280 L281 | Y280-S283 VanDerWaalsContact O-CB 3.26Å; Y280-S283 WeakPolarHBondContact O-CB 3.17Å; Y280-S283 PolarHBondContact O-N 3Å; Y280-S283 PolarHBondContact O-OG 3.36Å; L281-S283 PolarHBondContact O-N 3.41Å |
| 284 | Y | 89.6 | Confident | 83.6 | Confident | 150 Ų | 150 | 119.1 Ų | 119.1 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -92.2 | 133.1 | -179.8 | -69.5 | -93.8 | 0 | 0 | 0 | 112.1 | Y280 L281 P282 M286 | Y280-Y284 WeakPolarHBondContact O-CD2 3.38Å; L281-Y284 PolarHBondContact O-N 3.02Å; P282-Y284 PolarHBondContact O-N 3.4Å; Y284-M286 VanDerWaalsContact C-N 3.33Å; Y284-M286 HydrophobicContact CD1-CE 4.29Å; Y284-M286 HydrophobicContact CD2-CE 4.24Å; Y284-M286 HydrophobicContact CG-CE 3.74Å; Y284-M286 PolarHBondContact O-N 3.06Å |
| 285 | N | 89 | Confident | 83.1 | Confident | 98 Ų | 98 | 122.4 Ų | 122.4 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | trans | -78.7 | 82.3 | 168.5 | -173.3 | -14.7 | 0 | 0 | 0 | 110.7 | D287 | N285-D287 PolarHBondContact O-N 3.49Å; N285-D287 PolarHBondContact OD1-N 3.42Å | ||
| 286 | M | 85.7 | Confident | 82.5 | Confident | 42 Ų | 42 | 123.8 Ų | 123.8 | 21% | 0.207 | 60% | 0.595 | C | S | . | * | G | 310 helix | trans | -71.4 | -13.8 | -177.3 | -64.9 | -58 | -175.6 | 0 | 0 | 113.6 | V203 L281 Y284 R288 F289 K290 | V203-M286 HydrophobicContact CG1-CE 4.07Å; V203-M286 HydrophobicContact CG1-CG 4.38Å; V203-M286 HydrophobicContact CG1-SD 4.38Å; V203-M286 HydrophobicContact CG2-SD 4.36Å; L281-M286 HydrophobicContact CD1-CE 3.87Å; Y284-M286 VanDerWaalsContact C-N 3.33Å; Y284-M286 HydrophobicContact CD1-CE 4.29Å; Y284-M286 HydrophobicContact CD2-CE 4.24Å; Y284-M286 HydrophobicContact CG-CE 3.74Å; Y284-M286 PolarHBondContact O-N 3.06Å; M286-R288 PolarHBondContact O-N 3.5Å; M286-F289 PolarHBondContact O-N 3.12Å; M286-K290 PolarHBondContact O-N 2.78Å |
| 287 | D | 82.1 | Confident | 81.7 | Confident | 104 Ų | 104 | 125.9 Ų | 125.9 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -69.4 | -16.4 | -179.3 | -62.3 | -28.5 | 0 | 0 | 0 | 112.9 | N285 F289 K290 | N285-D287 PolarHBondContact O-N 3.49Å; N285-D287 PolarHBondContact OD1-N 3.42Å; D287-F289 VanDerWaalsContact C-N 3.28Å; D287-F289 PolarHBondContact O-N 3.3Å; D287-K290 IonicContact OD1-NZ 3.91Å; D287-K290 PolarHBondContact OD1-NZ 3Å |
| 288 | R | 84.1 | Confident | 80.9 | Confident | 197 Ų | 197 | 131.1 Ų | 131.1 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -69 | -22.6 | 169.9 | -72 | -166.7 | 176.2 | -161.1 | 0 | 113.9 | M286 | M286-R288 PolarHBondContact O-N 3.5Š|
| 289 | F | 76.5 | Confident | 80.1 | Confident | 162 Ų | 162 | 129.7 Ų | 129.7 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -10.8 | -171.9 | -55.9 | -75.9 | 0 | 0 | 0 | 113.6 | M286 D287 K291 | M286-F289 PolarHBondContact O-N 3.12Å; D287-F289 VanDerWaalsContact C-N 3.28Å; D287-F289 PolarHBondContact O-N 3.3Å; F289-K291 PolarHBondContact O-N 3.18Å |
| 290 | K | 63.4 | Low | 79 | Confident | 134 Ų | 134 | 131.5 Ų | 131.5 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -0.8 | 174.7 | -68.5 | 174 | -170.1 | 158.6 | 0 | 114 | M286 D287 | M286-K290 PolarHBondContact O-N 2.78Å; D287-K290 IonicContact OD1-NZ 3.91Å; D287-K290 PolarHBondContact OD1-NZ 3Å |
| 291 | K | 48.3 | Very low | 77.9 | Confident | 182 Ų | 182 | 130.7 Ų | 130.7 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 10.4 | -168.2 | -91.1 | -170.4 | 176.9 | -176.1 | 0 | 116.4 | F289 | F289-K291 PolarHBondContact O-N 3.18Š|
| 292 | N | 43.2 | Very low | 76.8 | Confident | 232 Ų | 232 | 136.8 Ų | 136.8 | 100% | 1.241 | 67% | 0.665 | S | S | * | * | trans | -119.4 | 0 | 172.5 | -70.2 | -12.9 | 0 | 0 | 0 | 111.2 |
Retrieved 292 of 292 residues in 108.2 ms
(Link to these results)