| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59 | Low | 78.8 | Confident | 228 Ų | 228 | 112.7 Ų | 112.7 | 100% | 1.123 | 61% | 0.611 | S | S | * | * | 0 | 10.5 | 0 | -74.6 | -169.6 | -178.5 | 0 | 0 | 113.5 | |||||
| 2 | T | 71.1 | Confident | 79.6 | Confident | 111 Ų | 111 | 111.7 Ų | 111.7 | 68% | 0.681 | 60% | 0.604 | S | S | * | * | trans | -96.2 | -40.7 | -166.8 | 38.4 | 0 | 0 | 0 | 0 | 113.9 | E6 | T2-E6 WeakPolarHBondContact O-CG 3.33Å; T2-E6 PolarHBondContact O-N 2.93Å | ||
| 3 | L | 76.8 | Confident | 79.8 | Confident | 125 Ų | 125 | 107.5 Ų | 107.5 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.9 | -38.9 | -173.9 | -144.1 | 126.9 | 0 | 0 | 0 | 114 | F5 E6 I7 | L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 2.87Å; L3-E6 PolarHBondContact O-N 2.95Å; L3-I7 HydrophobicContact CD2-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3.47Å; L3-I7 VanDerWaalsContact O-N 3.13Å |
| 4 | A | 79.4 | Confident | 79.9 | Confident | 66 Ų | 66 | 111.8 Ų | 111.8 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.6 | -35.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I8 | A4-I8 WeakPolarHBondContact O-CD1 3.47Å; A4-I8 VanDerWaalsContact O-CG1 3.26Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.1Å; A4-I8 VanDerWaalsContact O-N 3.13Å |
| 5 | F | 82.8 | Confident | 80.2 | Confident | 142 Ų | 142 | 107.9 Ų | 107.9 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.1 | -41.5 | 177.1 | -175 | -98.8 | 0 | 0 | 0 | 111.3 | L3 I8 V9 | L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 2.87Å; F5-I8 PolarHBondContact O-N 2.93Å; F5-V9 HydrophobicContact CD1-CG2 4.17Å; F5-V9 HydrophobicContact CE1-CG2 3.84Å; F5-V9 HydrophobicContact CZ-CG2 4.1Å; F5-V9 WeakPolarHBondContact O-CG2 3.33Å; F5-V9 PolarHBondContact O-N 3.05Å |
| 6 | E | 79.1 | Confident | 80.4 | Confident | 120 Ų | 120 | 108.5 Ų | 108.5 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.4 | -43.9 | 175.6 | -72.9 | 173.3 | -176.2 | 0 | 0 | 112.2 | T2 L3 I8 V9 V10 | T2-E6 WeakPolarHBondContact O-CG 3.33Å; T2-E6 PolarHBondContact O-N 2.93Å; L3-E6 PolarHBondContact O-N 2.95Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.03Å; E6-V9 PolarHBondContact O-N 3.12Å; E6-V10 WeakPolarHBondContact O-CG2 3.49Å; E6-V10 PolarHBondContact O-N 3.33Å |
| 7 | I | 83 | Confident | 80.1 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.4 | -45.1 | 176.1 | -66.6 | 168.2 | 0 | 0 | 0 | 110.8 | L3 V9 V10 V11 | L3-I7 HydrophobicContact CD2-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3.47Å; L3-I7 VanDerWaalsContact O-N 3.13Å; I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.27Å; I7-V10 PolarHBondContact O-N 3.38Å; I7-V11 HydrophobicContact CG2-CG2 4.29Å; I7-V11 VanDerWaalsContact O-CG2 3.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.02Å; I7-V11 PolarHBondContact O-N 2.8Å |
| 8 | I | 86.7 | Confident | 79.7 | Confident | 99 Ų | 99 | 106.4 Ų | 106.4 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.4 | -43.5 | 178.1 | -69.6 | 163.4 | 0 | 0 | 0 | 110.7 | A4 F5 E6 V11 L12 | A4-I8 WeakPolarHBondContact O-CD1 3.47Å; A4-I8 VanDerWaalsContact O-CG1 3.26Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.1Å; A4-I8 VanDerWaalsContact O-N 3.13Å; F5-I8 PolarHBondContact O-N 2.93Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.03Å; I8-V11 PolarHBondContact O-N 2.67Å; I8-L12 HydrophobicContact CG2-CD1 3.85Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 VanDerWaalsContact O-CG 3.26Å; I8-L12 WeakPolarHBondContact O-CG 3.41Å; I8-L12 PolarHBondContact O-N 2.93Å |
| 9 | V | 84.1 | Confident | 79.5 | Confident | 71 Ų | 71 | 106.6 Ų | 106.6 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -43.4 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | F5 E6 I7 L12 A13 | F5-V9 HydrophobicContact CD1-CG2 4.17Å; F5-V9 HydrophobicContact CE1-CG2 3.84Å; F5-V9 HydrophobicContact CZ-CG2 4.1Å; F5-V9 WeakPolarHBondContact O-CG2 3.33Å; F5-V9 PolarHBondContact O-N 3.05Å; E6-V9 PolarHBondContact O-N 3.12Å; I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.04Å; V9-A13 WeakPolarHBondContact O-CB 3.41Å; V9-A13 PolarHBondContact O-N 3.39Å |
| 10 | V | 80.1 | Confident | 79.2 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 58% | 0.582 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -44.6 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | E6 I7 L12 A13 W14 | E6-V10 WeakPolarHBondContact O-CG2 3.49Å; E6-V10 PolarHBondContact O-N 3.33Å; I7-V10 PolarHBondContact O-N 3.38Å; V10-L12 PolarHBondContact O-N 3.31Å; V10-A13 PolarHBondContact O-N 3.37Å; V10-W14 WeakPolarHBondContact O-CB 3.49Å; V10-W14 PolarHBondContact O-N 3.46Å |
| 11 | V | 84.4 | Confident | 78.7 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | I7 I8 W14 S15 | I7-V11 HydrophobicContact CG2-CG2 4.29Å; I7-V11 VanDerWaalsContact O-CG2 3.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.02Å; I7-V11 PolarHBondContact O-N 2.8Å; I8-V11 PolarHBondContact O-N 2.67Å; V11-W14 PolarHBondContact O-N 3.11Å; V11-S15 WeakPolarHBondContact O-CB 2.91Å; V11-S15 PolarHBondContact O-N 3.29Å; V11-S15 PolarHBondContact O-OG 3.12Å |
| 12 | L | 88.3 | Confident | 79.1 | Confident | 100 Ų | 100 | 98.9 Ų | 98.9 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.6 | -73.5 | 171.3 | 0 | 0 | 0 | 111.9 | I8 V9 V10 W14 S15 L16 | I8-L12 HydrophobicContact CG2-CD1 3.85Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 VanDerWaalsContact O-CG 3.26Å; I8-L12 WeakPolarHBondContact O-CG 3.41Å; I8-L12 PolarHBondContact O-N 2.93Å; V9-L12 PolarHBondContact O-N 3.04Å; V10-L12 PolarHBondContact O-N 3.31Å; L12-W14 PolarHBondContact O-N 2.8Å; L12-S15 PolarHBondContact O-N 2.99Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.3Å |
| 13 | A | 83.2 | Confident | 79.1 | Confident | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V9 V10 L16 Y17 | V9-A13 WeakPolarHBondContact O-CB 3.41Å; V9-A13 PolarHBondContact O-N 3.39Å; V10-A13 PolarHBondContact O-N 3.37Å; A13-L16 PolarHBondContact O-N 3.13Å; A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 PolarHBondContact O-N 2.99Å |
| 14 | W | 80.4 | Confident | 78.5 | Confident | 168 Ų | 168 | 102.6 Ų | 102.6 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -40.9 | 177.6 | -147.4 | 82.1 | 0 | 0 | 0 | 111.7 | V10 V11 L12 Y17 I18 | V10-W14 WeakPolarHBondContact O-CB 3.49Å; V10-W14 PolarHBondContact O-N 3.46Å; V11-W14 PolarHBondContact O-N 3.11Å; L12-W14 PolarHBondContact O-N 2.8Å; W14-Y17 PolarHBondContact O-N 3.3Å; W14-I18 HydrophobicContact CD2-CD1 4.15Å; W14-I18 HydrophobicContact CE3-CD1 3.24Å; W14-I18 HydrophobicContact CE3-CG1 4.02Å; W14-I18 HydrophobicContact CH2-CD1 3.83Å; W14-I18 HydrophobicContact CH2-CG1 4.36Å; W14-I18 HydrophobicContact CZ3-CD1 3.06Å; W14-I18 HydrophobicContact CZ3-CG1 3.97Å; W14-I18 WeakPolarHBondContact O-CG1 3.11Å; W14-I18 PolarHBondContact O-N 2.82Å |
| 15 | S | 84.4 | Confident | 76.6 | Confident | 54 Ų | 54 | 102 Ų | 102 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | V11 L12 I18 L19 | V11-S15 WeakPolarHBondContact O-CB 2.91Å; V11-S15 PolarHBondContact O-N 3.29Å; V11-S15 PolarHBondContact O-OG 3.12Å; L12-S15 PolarHBondContact O-N 2.99Å; S15-I18 PolarHBondContact O-N 3.27Å; S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.33Å |
| 16 | L | 82.9 | Confident | 74.5 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -38.3 | 175.3 | -73.3 | 170.4 | 0 | 0 | 0 | 112.1 | L12 A13 L19 F20 | L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.3Å; A13-L16 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-F20 WeakPolarHBondContact O-CB 3.34Å; L16-F20 PolarHBondContact O-N 2.92Å |
| 17 | Y | 76.5 | Confident | 72.1 | Confident | 131 Ų | 131 | 99.8 Ų | 99.8 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.1 | 176.2 | -104.3 | 0 | 0 | 0 | 112.2 | A13 W14 F20 K21 | A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 PolarHBondContact O-N 2.99Å; W14-Y17 PolarHBondContact O-N 3.3Å; Y17-F20 PolarHBondContact O-N 2.99Å; Y17-K21 HydrophobicContact CD1-CG 4.43Å; Y17-K21 HydrophobicContact CE1-CG 4.06Å; Y17-K21 HydrophobicContact CE2-CG 4.16Å; Y17-K21 VanDerWaalsContact CZ-CE 3.45Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 WeakPolarHBondContact O-CG 3.25Å; Y17-K21 PolarHBondContact O-N 3.2Å; Y17-K21 WeakPolarHBondContact OH-CE 3.34Å |
| 18 | I | 72.6 | Confident | 69.6 | Low | 48 Ų | 48 | 103.6 Ų | 103.6 | 25% | 0.246 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174 | -65.5 | 166.6 | 0 | 0 | 0 | 110.7 | W14 S15 F20 K21 I22 | W14-I18 HydrophobicContact CD2-CD1 4.15Å; W14-I18 HydrophobicContact CE3-CD1 3.24Å; W14-I18 HydrophobicContact CE3-CG1 4.02Å; W14-I18 HydrophobicContact CH2-CD1 3.83Å; W14-I18 HydrophobicContact CH2-CG1 4.36Å; W14-I18 HydrophobicContact CZ3-CD1 3.06Å; W14-I18 HydrophobicContact CZ3-CG1 3.97Å; W14-I18 WeakPolarHBondContact O-CG1 3.11Å; W14-I18 PolarHBondContact O-N 2.82Å; S15-I18 PolarHBondContact O-N 3.27Å; I18-F20 VanDerWaalsContact C-N 3.26Å; I18-F20 PolarHBondContact O-N 3.07Å; I18-K21 PolarHBondContact O-N 2.98Å; I18-K21 VanDerWaalsContact O-N 3.1Å; I18-I22 HydrophobicContact CG2-CD1 3.52Å; I18-I22 HydrophobicContact CG2-CG1 4.07Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.21Å |
| 19 | L | 76.2 | Confident | 66.8 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.9 | -40.8 | 178.3 | -78.3 | 166.1 | 0 | 0 | 0 | 111.7 | S15 L16 R23 | S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.39Å; L19-R23 WeakPolarHBondContact O-CB 3.36Å; L19-R23 PolarHBondContact O-N 3.24Å |
| 20 | F | 73.2 | Confident | 64 | Low | 125 Ų | 125 | 108.5 Ų | 108.5 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.3 | -180 | -94.5 | 0 | 0 | 0 | 112.1 | L16 Y17 I18 R23 N24 | L16-F20 WeakPolarHBondContact O-CB 3.34Å; L16-F20 PolarHBondContact O-N 2.92Å; Y17-F20 PolarHBondContact O-N 2.99Å; I18-F20 VanDerWaalsContact C-N 3.26Å; I18-F20 PolarHBondContact O-N 3.07Å; F20-R23 PolarHBondContact O-N 3.1Å; F20-N24 WeakPolarHBondContact CD2-ND2 3.44Å; F20-N24 VanDerWaalsContact CE1-ND2 3.32Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.26Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.39Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.48Å; F20-N24 WeakPolarHBondContact O-CB 3.24Å; F20-N24 PolarHBondContact O-N 3.45Å |
| 21 | K | 69.1 | Low | 61.4 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -41.9 | 178.4 | -78.5 | -68.7 | -167.1 | 178 | 0 | 112.6 | Y17 I18 S26 W27 | Y17-K21 HydrophobicContact CD1-CG 4.43Å; Y17-K21 HydrophobicContact CE1-CG 4.06Å; Y17-K21 HydrophobicContact CE2-CG 4.16Å; Y17-K21 VanDerWaalsContact CZ-CE 3.45Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 WeakPolarHBondContact O-CG 3.25Å; Y17-K21 PolarHBondContact O-N 3.2Å; Y17-K21 WeakPolarHBondContact OH-CE 3.34Å; I18-K21 PolarHBondContact O-N 2.98Å; I18-K21 VanDerWaalsContact O-N 3.1Å; K21-S26 WeakPolarHBondContact CA-OG 3.33Å; K21-S26 WeakPolarHBondContact CD-OG 3.09Å; K21-S26 PolarHBondContact O-N 3.17Å; K21-S26 PolarHBondContact O-OG 2.97Å; K21-W27 HydrophobicContact CB-CB 4.09Å; K21-W27 HydrophobicContact CB-CG 4.39Å; K21-W27 PolarHBondContact O-N 3.2Å; K21-W27 VanDerWaalsContact O-N 3.12Å |
| 22 | I | 66.5 | Low | 58.6 | Low | 91 Ų | 91 | 112.7 Ų | 112.7 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -49.4 | 174.9 | -66.8 | 172.5 | 0 | 0 | 0 | 110.2 | I18 N24 G25 W27 | I18-I22 HydrophobicContact CG2-CD1 3.52Å; I18-I22 HydrophobicContact CG2-CG1 4.07Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.21Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.3Å; I22-G25 PolarHBondContact O-N 3Å; I22-W27 HydrophobicContact CD1-CE3 4.46Å; I22-W27 HydrophobicContact CG1-CB 4.37Å; I22-W27 HydrophobicContact CG1-CE3 4.04Å |
| 23 | R | 70.4 | Confident | 55.5 | Low | 220 Ų | 220 | 110.2 Ų | 110.2 | 83% | 0.83 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -33.3 | -176.4 | -171.3 | 174 | 177.2 | 160.2 | -0 | 113.3 | L19 F20 G25 | L19-R23 WeakPolarHBondContact O-CB 3.36Å; L19-R23 PolarHBondContact O-N 3.24Å; F20-R23 PolarHBondContact O-N 3.1Å; R23-G25 VanDerWaalsContact C-N 3.3Å; R23-G25 PolarHBondContact O-N 3.34Å |
| 24 | N | 65 | Low | 52.8 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | 13.7 | 179.2 | -70.1 | -16.2 | 0 | 0 | 0 | 113.8 | F20 I22 S26 | F20-N24 WeakPolarHBondContact CD2-ND2 3.44Å; F20-N24 VanDerWaalsContact CE1-ND2 3.32Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.26Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.39Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.48Å; F20-N24 WeakPolarHBondContact O-CB 3.24Å; F20-N24 PolarHBondContact O-N 3.45Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.3Å; N24-S26 PolarHBondContact O-N 3.09Å |
| 25 | G | 38.9 | Very low | 50.1 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.2 | 5.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I22 R23 W27 | I22-G25 PolarHBondContact O-N 3Å; R23-G25 VanDerWaalsContact C-N 3.3Å; R23-G25 PolarHBondContact O-N 3.34Å; G25-W27 VanDerWaalsContact C-N 3.27Å |
| 26 | S | 39.8 | Very low | 47.2 | Very low | 63 Ų | 63 | 120 Ų | 120 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | trans | -82.3 | -7.8 | 179.1 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | K21 N24 | K21-S26 WeakPolarHBondContact CA-OG 3.33Å; K21-S26 WeakPolarHBondContact CD-OG 3.09Å; K21-S26 PolarHBondContact O-N 3.17Å; K21-S26 PolarHBondContact O-OG 2.97Å; N24-S26 PolarHBondContact O-N 3.09Å | ||
| 27 | W | 27.7 | Very low | 44.3 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 57% | 0.572 | 63% | 0.625 | S | S | * | * | trans | -118.3 | 96.6 | 171.3 | -133.4 | 58.9 | 0 | 0 | 0 | 108.5 | K21 I22 G25 | K21-W27 HydrophobicContact CB-CB 4.09Å; K21-W27 HydrophobicContact CB-CG 4.39Å; K21-W27 PolarHBondContact O-N 3.2Å; K21-W27 VanDerWaalsContact O-N 3.12Å; I22-W27 HydrophobicContact CD1-CE3 4.46Å; I22-W27 HydrophobicContact CG1-CB 4.37Å; I22-W27 HydrophobicContact CG1-CE3 4.04Å; G25-W27 VanDerWaalsContact C-N 3.27Å | ||
| 28 | K | 30.7 | Very low | 41.7 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 77% | 0.774 | 64% | 0.642 | S | S | * | * | trans | -80 | 120.5 | 159.3 | -73.7 | -177 | 178.9 | 179.3 | 0 | 106.1 | F30 | K28-F30 PolarHBondContact O-N 2.79Å; K28-F30 VanDerWaalsContact O-N 3.1Å | ||
| 29 | P | 28.2 | Very low | 39.4 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | trans | -57.3 | 121.7 | 169.3 | 23.8 | -29.8 | 0 | 0 | 0 | 106.9 | T31 | P29-T31 PolarHBondContact O-N 3.07Š| ||
| 30 | F | 25.9 | Very low | 37 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | trans | -60.8 | 106.3 | 164.8 | -84.1 | -92.9 | 0 | 0 | 0 | 105.9 | K28 V32 | K28-F30 PolarHBondContact O-N 2.79Å; K28-F30 VanDerWaalsContact O-N 3.1Å; F30-V32 PolarHBondContact O-N 3.08Å | ||
| 31 | T | 24.7 | Very low | 34.7 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 82% | 0.816 | 69% | 0.692 | S | S | * | * | trans | -67.5 | 92.9 | 162.6 | 42.5 | 0 | 0 | 0 | 0 | 105.9 | P29 G33 | P29-T31 PolarHBondContact O-N 3.07Å; T31-G33 VanDerWaalsContact C-N 3.31Å; T31-G33 PolarHBondContact O-N 3.5Å | ||
| 32 | V | 25.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -62.4 | 102.2 | 164.4 | -169.5 | 0 | 0 | 0 | 0 | 104.5 | F30 | F30-V32 PolarHBondContact O-N 3.08Š| ||
| 33 | G | 24.7 | Very low | 30.6 | Very low | 48 Ų | 48 | 137 Ų | 137 | 50% | 0.495 | 70% | 0.704 | S | S | . | * | trans | -57.4 | 162.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | T31 Q35 | T31-G33 VanDerWaalsContact C-N 3.31Å; T31-G33 PolarHBondContact O-N 3.5Å; G33-Q35 PolarHBondContact O-N 3.28Å | ||
| 34 | P | 25.1 | Very low | 28.4 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -50.7 | 136.2 | 175.1 | 24 | -32 | 0 | 0 | 0 | 109.7 | E36 | P34-E36 PolarHBondContact O-N 3.45Š|
| 35 | Q | 24.5 | Very low | 26.6 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -43.2 | 104.6 | -175.3 | -72.5 | 178.9 | -32.6 | 0 | 0 | 112.8 | G33 | G33-Q35 PolarHBondContact O-N 3.28Š|
| 36 | E | 22.8 | Very low | 25.9 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | trans | -156.2 | 124.8 | 172.8 | -107.4 | 152.2 | -148.7 | 0 | 0 | 111.4 | P34 | P34-E36 PolarHBondContact O-N 3.45Š| ||
| 37 | E | 23 | Very low | 25.1 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 76.3 | 109.8 | 155.7 | -54.9 | -170 | 162.5 | 0 | 0 | 120.3 | C39 | E37-C39 PolarHBondContact O-N 2.79Š| ||
| 38 | R | 22.6 | Very low | 25 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | trans | -60.8 | 99.3 | 167 | -63.3 | 173.8 | -179.7 | 177.8 | -1.5 | 109.6 | W40 | R38-W40 PolarHBondContact O-N 3.42Š| ||
| 39 | C | 22.6 | Very low | 24.7 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | -83.3 | 114.1 | 169.9 | -72.1 | 0 | 0 | 0 | 0 | 110.9 | E37 | E37-C39 PolarHBondContact O-N 2.79Š| ||
| 40 | W | 26.3 | Very low | 24.6 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | trans | -89.6 | 116.5 | 164.4 | -62.7 | 82.5 | 0 | 0 | 0 | 108.3 | R38 C42 | R38-W40 PolarHBondContact O-N 3.42Å; W40-C42 PolarHBondContact O-N 3.18Å | ||
| 41 | M | 24.6 | Very low | 24.6 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 82% | 0.823 | 71% | 0.707 | S | S | * | * | trans | -92.2 | 85.6 | 163 | -96.2 | -174.2 | 79.4 | 0 | 0 | 108.6 | ||||
| 42 | C | 25.4 | Very low | 24.5 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 57% | 0.568 | 70% | 0.698 | S | S | * | * | trans | -85.6 | 121.5 | 165.3 | -66.3 | 0 | 0 | 0 | 0 | 107.9 | W40 E44 | W40-C42 PolarHBondContact O-N 3.18Å; C42-E44 VanDerWaalsContact C-N 3.26Å; C42-E44 PolarHBondContact O-N 3.38Å | ||
| 43 | S | 24.5 | Very low | 24.5 | Very low | 63 Ų | 63 | 136 Ų | 136 | 44% | 0.441 | 70% | 0.695 | S | S | . | * | trans | -67.1 | 94.7 | 157.5 | 59.4 | 0 | 0 | 0 | 0 | 107 | Y45 | S43-Y45 PolarHBondContact O-N 3.18Š| ||
| 44 | E | 24.4 | Very low | 24.4 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | trans | -57.5 | 104.9 | 172 | -82.7 | -168.8 | 154.9 | 0 | 0 | 109 | C42 K72 | C42-E44 VanDerWaalsContact C-N 3.26Å; C42-E44 PolarHBondContact O-N 3.38Å; E44-K72 IonicContact OE2-NZ 3.95Å; E44-K72 PolarHBondContact OE2-NZ 2.88Å | ||
| 45 | Y | 26.5 | Very low | 24.4 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | trans | -100.7 | 123.8 | 161.2 | -87.5 | -85.2 | 0 | 0 | 0 | 109.3 | S43 L47 | S43-Y45 PolarHBondContact O-N 3.18Å; Y45-L47 PolarHBondContact O-N 3.08Å | ||
| 46 | V | 25.3 | Very low | 24.5 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 35% | 0.352 | 70% | 0.702 | S | S | . | * | trans | -36.3 | 105.6 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | Q48 R49 I70 | V46-Q48 PolarHBondContact O-N 3.23Å; V46-R49 HydrophobicContact CG1-CB 4.41Å; V46-I70 HydrophobicContact CG1-CG2 4.21Å; V46-I70 HydrophobicContact CG2-CG2 3.94Å | ||
| 47 | L | 23.7 | Very low | 24.8 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | -58.5 | 117.6 | 163.3 | -82.2 | 156.4 | 0 | 0 | 0 | 108.6 | Y45 R49 | Y45-L47 PolarHBondContact O-N 3.08Å; L47-R49 PolarHBondContact O-N 3Å | ||
| 48 | Q | 24.5 | Very low | 24.9 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 32.6 | 78 | 157.1 | -89 | -178.2 | -23.6 | 0 | 0 | 116 | V46 | V46-Q48 PolarHBondContact O-N 3.23Š|
| 49 | R | 25 | Very low | 25.1 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 48% | 0.483 | 69% | 0.69 | S | S | . | * | trans | -133.9 | 130.8 | 167.5 | -73.6 | -178.2 | 171.7 | 176.1 | -8 | 111.9 | V46 L47 V51 K72 | V46-R49 HydrophobicContact CG1-CB 4.41Å; L47-R49 PolarHBondContact O-N 3Å; R49-V51 PolarHBondContact O-N 2.76Å; R49-K72 PolarHBondContact NH1-O 3.18Å | ||
| 50 | Q | 25.2 | Very low | 25.2 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | -48.4 | 119.4 | -171 | -69 | 167.8 | -27 | 0 | 0 | 112.8 | V52 | Q50-V52 HydrophobicContact CB-CG2 4.39Å; Q50-V52 PolarHBondContact O-N 3.16Å; Q50-V52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | V | 25.3 | Very low | 25 | Very low | 88 Ų | 88 | 121 Ų | 121 | 53% | 0.533 | 67% | 0.673 | S | S | . | * | trans | -76.6 | 94.2 | 162.4 | -178.2 | 0 | 0 | 0 | 0 | 107 | R49 A53 L106 | R49-V51 PolarHBondContact O-N 2.76Å; V51-A53 PolarHBondContact O-N 3.39Å; V51-L106 HydrophobicContact CG2-CD1 4.14Å; V51-L106 HydrophobicContact CG2-CD2 4.21Å | ||
| 52 | V | 23.9 | Very low | 25 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | trans | -76.1 | 109.8 | 166.2 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | Q50 T54 | Q50-V52 HydrophobicContact CB-CG2 4.39Å; Q50-V52 PolarHBondContact O-N 3.16Å; Q50-V52 VanDerWaalsContact O-N 3.11Å; V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 PolarHBondContact O-N 3.17Å | ||
| 53 | A | 24.1 | Very low | 25 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | trans | -62.1 | 98 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108 | V51 S55 | V51-A53 PolarHBondContact O-N 3.39Å; A53-S55 PolarHBondContact O-N 3.37Å | ||
| 54 | T | 24.3 | Very low | 24.9 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 73% | 0.73 | 69% | 0.692 | S | S | * | * | trans | -74.2 | 121.8 | 173.7 | 50.9 | 0 | 0 | 0 | 0 | 108.4 | V52 | V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 PolarHBondContact O-N 3.17Å | ||
| 55 | S | 24.6 | Very low | 24.8 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 83 | 130.4 | 167.4 | 74.8 | 0 | 0 | 0 | 0 | 118.1 | A53 V57 | A53-S55 PolarHBondContact O-N 3.37Å; S55-V57 PolarHBondContact O-N 3.03Å |
| 56 | E | 26.1 | Very low | 24.7 | Very low | 189 Ų | 189 | 120.3 Ų | 120.3 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | -46.1 | 109 | 170 | -62.8 | 167.8 | 163.9 | 0 | 0 | 110.6 | P58 | E56-P58 WeakPolarHBondContact O-CD 3.45Š| ||
| 57 | V | 28.2 | Very low | 24.6 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 116.5 | 168.3 | -177.9 | 0 | 0 | 0 | 0 | 106.7 | S55 E59 A61 | S55-V57 PolarHBondContact O-N 3.03Å; V57-E59 PolarHBondContact O-N 2.8Å; V57-A61 HydrophobicContact CG1-CB 4.04Å |
| 58 | P | 25.8 | Very low | 24.7 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 60% | 0.597 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 137.1 | 179.6 | -20.6 | 31.1 | 0 | 0 | 0 | 110.7 | E56 G60 A61 | E56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-G60 PolarHBondContact O-N 3Å; P58-G60 VanDerWaalsContact O-N 3.13Å; P58-A61 WeakPolarHBondContact O-CB 3.5Å; P58-A61 PolarHBondContact O-N 3.28Å |
| 59 | E | 26.2 | Very low | 24.8 | Very low | 207 Ų | 207 | 122.2 Ų | 122.2 | 97% | 0.967 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 121.8 | 168.7 | -78.3 | -174.3 | 151.3 | 0 | 0 | 109.2 | V57 | V57-E59 PolarHBondContact O-N 2.8Š|
| 60 | G | 24.9 | Very low | 24.9 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.2 | -4.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | P58 V62 | P58-G60 PolarHBondContact O-N 3Å; P58-G60 VanDerWaalsContact O-N 3.13Å; G60-V62 PolarHBondContact O-N 3.43Å |
| 61 | A | 23.7 | Very low | 24.9 | Very low | 48 Ų | 48 | 115.2 Ų | 115.2 | 40% | 0.397 | 66% | 0.663 | S | S | . | * | trans | -76.2 | 113.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | V57 P58 P63 | V57-A61 HydrophobicContact CG1-CB 4.04Å; P58-A61 WeakPolarHBondContact O-CB 3.5Å; P58-A61 PolarHBondContact O-N 3.28Å; A61-P63 VanDerWaalsContact O-CD 3.24Å; A61-P63 WeakPolarHBondContact O-CD 3.09Å | ||
| 62 | V | 22.9 | Very low | 25.1 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 75% | 0.745 | 66% | 0.658 | S | S | * | * | trans | -66.1 | 114.3 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | G60 R64 | G60-V62 PolarHBondContact O-N 3.43Å; V62-R64 PolarHBondContact O-N 3.17Å | ||
| 63 | P | 25.3 | Very low | 25.2 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | trans | -71.5 | 95.5 | -178.3 | 28.3 | -32.1 | 0 | 0 | 0 | 109.6 | A61 A65 | A61-P63 VanDerWaalsContact O-CD 3.24Å; A61-P63 WeakPolarHBondContact O-CD 3.09Å; P63-A65 PolarHBondContact O-N 2.88Å | ||
| 64 | R | 22.6 | Very low | 25.3 | Very low | 228 Ų | 228 | 115.1 Ų | 115.1 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | -67.3 | 106.4 | 164.5 | -79.7 | -178.2 | 166.6 | 177.2 | -1.7 | 107.7 | V62 G66 | V62-R64 PolarHBondContact O-N 3.17Å; R64-G66 PolarHBondContact O-N 3.23Å | ||
| 65 | A | 23 | Very low | 25.3 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 35.6 | 79.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P63 F67 | P63-A65 PolarHBondContact O-N 2.88Å; A65-F67 PolarHBondContact O-N 3.13Å |
| 66 | G | 23.5 | Very low | 25.3 | Very low | 51 Ų | 51 | 115 Ų | 115 | 53% | 0.526 | 63% | 0.631 | S | S | . | * | trans | -61.8 | 122.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | R64 V68 | R64-G66 PolarHBondContact O-N 3.23Å; G66-V68 PolarHBondContact O-N 3.04Å | ||
| 67 | F | 24.6 | Very low | 25.2 | Very low | 191 Ų | 191 | 114.8 Ų | 114.8 | 84% | 0.838 | 63% | 0.627 | S | S | * | * | trans | -69.9 | 120 | 171.4 | -64.2 | -95.4 | 0 | 0 | 0 | 108.9 | A65 | A65-F67 PolarHBondContact O-N 3.13Š| ||
| 68 | V | 25.9 | Very low | 25 | Very low | 68 Ų | 68 | 116.9 Ų | 116.9 | 41% | 0.412 | 62% | 0.623 | S | S | . | * | trans | -93 | 101 | 167.3 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | G66 I70 | G66-V68 PolarHBondContact O-N 3.04Å; V68-I70 HydrophobicContact CG1-CG1 4.05Å; V68-I70 PolarHBondContact O-N 3.28Å | ||
| 69 | R | 26.3 | Very low | 24.8 | Very low | 187 Ų | 187 | 125 Ų | 125 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | trans | -75.5 | 106.4 | 167.9 | -112.2 | -178.9 | 173.4 | 177.1 | -3.2 | 107.6 | L71 Q87 | R69-L71 PolarHBondContact O-N 2.69Å; R69-Q87 VanDerWaalsContact NH2-OE1 3.12Å | ||
| 70 | I | 27.1 | Very low | 24.7 | Very low | 50 Ų | 50 | 119 Ų | 119 | 26% | 0.256 | 64% | 0.636 | S | S | . | * | trans | -86.9 | 106.7 | 170.2 | -59.8 | 167.7 | 0 | 0 | 0 | 107.3 | V46 V68 K72 I92 | V46-I70 HydrophobicContact CG1-CG2 4.21Å; V46-I70 HydrophobicContact CG2-CG2 3.94Å; V68-I70 HydrophobicContact CG1-CG1 4.05Å; V68-I70 PolarHBondContact O-N 3.28Å; I70-K72 PolarHBondContact O-N 3.13Å; I70-I92 HydrophobicContact CD1-CD1 3.4Å; I70-I92 HydrophobicContact CD1-CG1 4.32Å | ||
| 71 | L | 25.6 | Very low | 24.6 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 59% | 0.592 | 63% | 0.629 | S | S | * | * | trans | -74 | 118.9 | 170.1 | -71.6 | 163.8 | 0 | 0 | 0 | 108 | R69 E73 I75 | R69-L71 PolarHBondContact O-N 2.69Å; L71-E73 PolarHBondContact O-N 3.47Å; L71-E73 VanDerWaalsContact O-N 3.17Å; L71-I75 HydrophobicContact CD1-CD1 4.5Å | ||
| 72 | K | 28.9 | Very low | 24.6 | Very low | 97 Ų | 97 | 123 Ų | 123 | 42% | 0.422 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -67.2 | -11.2 | -179.2 | -151.6 | 174.8 | -179.2 | -178.2 | 0 | 112.2 | E44 R49 I70 | E44-K72 IonicContact OE2-NZ 3.95Å; E44-K72 PolarHBondContact OE2-NZ 2.88Å; R49-K72 PolarHBondContact NH1-O 3.18Å; I70-K72 PolarHBondContact O-N 3.13Å |
| 73 | E | 26 | Very low | 24.6 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 51% | 0.505 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -143.1 | 139.2 | -177.7 | -63 | -176 | 164.2 | 0 | 0 | 114.2 | L71 I75 | L71-E73 PolarHBondContact O-N 3.47Å; L71-E73 VanDerWaalsContact O-N 3.17Å; E73-I75 PolarHBondContact O-N 3.25Å |
| 74 | P | 25.6 | Very low | 24.5 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 51% | 0.506 | 66% | 0.659 | S | S | . | * | trans | -69.3 | 116.4 | 169.9 | 28.8 | -31.1 | 0 | 0 | 0 | 106.8 | T76 | P74-T76 VanDerWaalsContact C-N 3.33Å; P74-T76 PolarHBondContact O-N 2.9Å | ||
| 75 | I | 24.5 | Very low | 24.6 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | trans | -71.1 | 91.2 | 177.3 | -55.2 | 170.6 | 0 | 0 | 0 | 107.6 | L71 E73 F77 | L71-I75 HydrophobicContact CD1-CD1 4.5Å; E73-I75 PolarHBondContact O-N 3.25Å; I75-F77 HydrophobicContact CB-CE2 4.4Å; I75-F77 HydrophobicContact CG2-CD1 3.98Å; I75-F77 HydrophobicContact CG2-CD2 3.83Å; I75-F77 HydrophobicContact CG2-CE1 3.71Å; I75-F77 HydrophobicContact CG2-CE2 3.54Å; I75-F77 HydrophobicContact CG2-CG 4.04Å; I75-F77 HydrophobicContact CG2-CZ 3.49Å; I75-F77 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 76 | T | 24.5 | Very low | 24.7 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 74% | 0.742 | 64% | 0.638 | S | S | * | * | trans | -88.3 | 101.8 | 157.9 | 32.1 | 0 | 0 | 0 | 0 | 108.1 | P74 R78 | P74-T76 VanDerWaalsContact C-N 3.33Å; P74-T76 PolarHBondContact O-N 2.9Å; T76-R78 PolarHBondContact O-N 3.22Å; T76-R78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | F | 23.5 | Very low | 24.7 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 80% | 0.803 | 64% | 0.644 | S | S | * | * | trans | -61.4 | 108.3 | 177.8 | -65.6 | -87.1 | 0 | 0 | 0 | 110.6 | I75 | I75-F77 HydrophobicContact CB-CE2 4.4Å; I75-F77 HydrophobicContact CG2-CD1 3.98Å; I75-F77 HydrophobicContact CG2-CD2 3.83Å; I75-F77 HydrophobicContact CG2-CE1 3.71Å; I75-F77 HydrophobicContact CG2-CE2 3.54Å; I75-F77 HydrophobicContact CG2-CG 4.04Å; I75-F77 HydrophobicContact CG2-CZ 3.49Å; I75-F77 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 78 | R | 23.7 | Very low | 24.8 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | trans | -81.6 | 131.8 | 159.4 | -81.4 | -178 | 166.1 | -162.8 | -7.3 | 108.6 | T76 G80 Q160 | T76-R78 PolarHBondContact O-N 3.22Å; T76-R78 VanDerWaalsContact O-N 3.08Å; R78-G80 PolarHBondContact O-N 3.46Å; R78-Q160 VanDerWaalsContact CZ-CD 3.41Å | ||
| 79 | R | 22.1 | Very low | 24.7 | Very low | 261 Ų | 261 | 124.7 Ų | 124.7 | 99% | 0.985 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 120.1 | 169.8 | -90.2 | -176.6 | 172.8 | 178.6 | -1.7 | 108.9 | ||
| 80 | G | 24.2 | Very low | 24.7 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 86% | 0.856 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.5 | 12.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | R78 | R78-G80 PolarHBondContact O-N 3.46Š|
| 81 | V | 23.5 | Very low | 24.6 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | trans | -120.2 | 116.8 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 82 | A | 22.3 | Very low | 24.7 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -68.6 | 144.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 83 | T | 23.7 | Very low | 24.6 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -96 | 107.6 | -160.8 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 84 | E | 23.8 | Very low | 24.5 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | trans | -127.6 | 92.2 | 161.1 | -76.8 | -179.8 | -176.3 | 0 | 0 | 108.1 | ||||
| 85 | L | 24 | Very low | 24.5 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | trans | -117.3 | 109.7 | 177.1 | -108.1 | 155.7 | 0 | 0 | 0 | 108.5 | Q87 | L85-Q87 PolarHBondContact O-N 3.29Š| ||
| 86 | H | 24.5 | Very low | 24.5 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 49% | 0.491 | 67% | 0.673 | S | S | . | * | trans | -56.6 | 115 | 175.6 | -70.7 | -59.5 | 0 | 0 | 0 | 110.9 | H88 E201 | H86-H88 PolarHBondContact O-N 2.9Å; H86-E201 WeakPolarHBondContact CE1-CG 3.35Å | ||
| 87 | Q | 24.8 | Very low | 24.4 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | trans | -78.6 | 94.7 | 178.4 | -69.9 | -179.6 | 11.4 | 0 | 0 | 110.3 | R69 L85 S89 | R69-Q87 VanDerWaalsContact NH2-OE1 3.12Å; L85-Q87 PolarHBondContact O-N 3.29Å; Q87-S89 PolarHBondContact O-N 3.47Å | ||
| 88 | H | 25.5 | Very low | 24.4 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | trans | -76.5 | 108.3 | 163.3 | -72 | -65.5 | 0 | 0 | 0 | 109.9 | H86 Y90 | H86-H88 PolarHBondContact O-N 2.9Å; H88-Y90 HydrophobicContact CB-CE2 4Å | ||
| 89 | S | 25.2 | Very low | 24.5 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -89.5 | 107.6 | 177.1 | -58 | 0 | 0 | 0 | 0 | 109.7 | Q87 | Q87-S89 PolarHBondContact O-N 3.47Š| ||
| 90 | Y | 25.4 | Very low | 24.6 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 38% | 0.376 | 65% | 0.653 | S | S | . | * | trans | -87 | 126.3 | 171.6 | -65.6 | -88.3 | 0 | 0 | 0 | 109.9 | H88 I92 | H88-Y90 HydrophobicContact CB-CE2 4Å; Y90-I92 PolarHBondContact O-N 3.47Å | ||
| 91 | F | 26 | Very low | 24.6 | Very low | 193 Ų | 193 | 113.7 Ų | 113.7 | 85% | 0.846 | 64% | 0.64 | S | S | * | * | trans | -80.9 | 103.5 | 170.6 | -99 | -90.2 | 0 | 0 | 0 | 109.5 | ||||
| 92 | I | 26.8 | Very low | 24.7 | Very low | 88 Ų | 88 | 112 Ų | 112 | 45% | 0.451 | 64% | 0.638 | S | S | . | * | trans | -98.3 | 116.2 | 164.9 | -58.1 | -179 | 0 | 0 | 0 | 107.1 | I70 Y90 A94 | I70-I92 HydrophobicContact CD1-CD1 3.4Å; I70-I92 HydrophobicContact CD1-CG1 4.32Å; Y90-I92 PolarHBondContact O-N 3.47Å; I92-A94 PolarHBondContact O-N 3.49Å | ||
| 93 | P | 26.1 | Very low | 24.7 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 75% | 0.753 | 63% | 0.628 | S | S | * | * | trans | -62.9 | 107.4 | 171.4 | 23.9 | -29.2 | 0 | 0 | 0 | 108.5 | ||||
| 94 | A | 25.8 | Very low | 24.7 | Very low | 57 Ų | 57 | 109.5 Ų | 109.5 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | trans | -58.2 | 128.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | I92 S96 | I92-A94 PolarHBondContact O-N 3.49Å; A94-S96 PolarHBondContact O-N 2.94Å | ||
| 95 | P | 25.1 | Very low | 24.8 | Very low | 84 Ų | 84 | 105.7 Ų | 105.7 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | trans | -57.8 | 132.6 | 178.2 | 15.6 | -23 | 0 | 0 | 0 | 109.6 | V97 L105 | P95-V97 PolarHBondContact O-N 3.34Å; P95-V97 VanDerWaalsContact O-N 3.07Å; P95-L105 HydrophobicContact CG-CD1 3.45Å; P95-L105 VanDerWaalsContact CG-CD1 3.45Å | ||
| 96 | S | 23.3 | Very low | 24.8 | Very low | 99 Ų | 99 | 105.2 Ų | 105.2 | 69% | 0.692 | 60% | 0.6 | S | S | * | * | trans | -48 | 111.1 | 179.2 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | A94 Y98 | A94-S96 PolarHBondContact O-N 2.94Å; S96-Y98 PolarHBondContact O-N 2.99Å | ||
| 97 | V | 23.4 | Very low | 24.8 | Very low | 117 Ų | 117 | 105.9 Ų | 105.9 | 71% | 0.709 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 39.2 | -0.8 | 139 | -165.8 | 0 | 0 | 0 | 0 | 120.2 | P95 | P95-V97 PolarHBondContact O-N 3.34Å; P95-V97 VanDerWaalsContact O-N 3.07Å |
| 98 | Y | 23.1 | Very low | 24.8 | Very low | 226 Ų | 226 | 104.6 Ų | 104.6 | 89% | 0.886 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -141.3 | 17.7 | -176.3 | -76.2 | -79.2 | 0 | 0 | 0 | 112.9 | S96 | S96-Y98 PolarHBondContact O-N 2.99Š|
| 99 | G | 25.6 | Very low | 24.8 | Very low | 49 Ų | 49 | 102.7 Ų | 102.7 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -106.4 | 163.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 100 | P | 24 | Very low | 24.9 | Very low | 88 Ų | 88 | 103.1 Ų | 103.1 | 57% | 0.571 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -55.1 | 151.5 | 175.4 | 24.1 | -32.8 | 0 | 0 | 0 | 111 | A102 | P100-A102 PolarHBondContact O-N 3.31Š|
| 101 | P | 24.4 | Very low | 24.9 | Very low | 90 Ų | 90 | 100.7 Ų | 100.7 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | trans | -51.1 | 139.5 | -174.8 | 20.2 | -32.1 | 0 | 0 | 0 | 111.3 | S103 C104 | P101-S103 PolarHBondContact O-N 3.35Å; P101-C104 PolarHBondContact O-N 3.44Å | ||
| 102 | A | 25.6 | Very low | 25 | Very low | 78 Ų | 78 | 94.2 Ų | 94.2 | 65% | 0.645 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -53.1 | -16.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P100 C104 L105 | P100-A102 PolarHBondContact O-N 3.31Å; A102-C104 PolarHBondContact O-N 2.92Å; A102-L105 PolarHBondContact O-N 3.45Å |
| 103 | S | 23.6 | Very low | 25 | Very low | 87 Ų | 87 | 93.5 Ų | 93.5 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -62.8 | -19.9 | 169.7 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | P101 | P101-S103 PolarHBondContact O-N 3.35Š|
| 104 | C | 22.9 | Very low | 25.1 | Very low | 86 Ų | 86 | 93.8 Ų | 93.8 | 58% | 0.581 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -95.6 | -7.2 | -179.1 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | P101 A102 | P101-C104 PolarHBondContact O-N 3.44Å; A102-C104 PolarHBondContact O-N 2.92Å |
| 105 | L | 25.1 | Very low | 25.1 | Very low | 86 Ų | 86 | 98.4 Ų | 98.4 | 45% | 0.45 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -96.4 | 0.6 | -175.3 | -79.2 | 154.5 | 0 | 0 | 0 | 114.1 | P95 A102 | P95-L105 HydrophobicContact CG-CD1 3.45Å; P95-L105 VanDerWaalsContact CG-CD1 3.45Å; A102-L105 PolarHBondContact O-N 3.45Å |
| 106 | L | 24.4 | Very low | 25.1 | Very low | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 1.8 | -171.3 | -76 | 161.6 | 0 | 0 | 0 | 115 | V51 | V51-L106 HydrophobicContact CG2-CD1 4.14Å; V51-L106 HydrophobicContact CG2-CD2 4.21Å |
| 107 | N | 23.8 | Very low | 25.3 | Very low | 120 Ų | 120 | 99.4 Ų | 99.4 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 5.2 | -172.4 | -81.5 | -28 | 0 | 0 | 0 | 115.6 | ||
| 108 | T | 25.2 | Very low | 25.4 | Very low | 113 Ų | 113 | 97.3 Ų | 97.3 | 69% | 0.693 | 58% | 0.577 | S | S | * | * | trans | -150.2 | 85.4 | -178.7 | 50.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 109 | V | 26 | Very low | 25.5 | Very low | 82 Ų | 82 | 95.8 Ų | 95.8 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | trans | -108.1 | 114.2 | 167.2 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | V111 | V109-V111 PolarHBondContact O-N 3.17Š| ||
| 110 | P | 26.5 | Very low | 25.6 | Very low | 104 Ų | 104 | 99.5 Ų | 99.5 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | trans | -64 | 125.2 | 175 | 24.3 | -29.9 | 0 | 0 | 0 | 109.1 | ||||
| 111 | V | 26.7 | Very low | 25.7 | Very low | 44 Ų | 44 | 100.1 Ų | 100.1 | 27% | 0.267 | 59% | 0.59 | S | S | . | * | trans | -93.9 | 126 | 173.4 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | V109 F128 | V109-V111 PolarHBondContact O-N 3.17Å; V111-F128 HydrophobicContact CB-CE2 3.8Å; V111-F128 HydrophobicContact CG2-CD2 4.34Å; V111-F128 HydrophobicContact CG2-CE2 3.53Å; V111-F128 HydrophobicContact CG2-CZ 4.2Å | ||
| 112 | S | 26.8 | Very low | 25.8 | Very low | 57 Ų | 57 | 101.7 Ų | 101.7 | 40% | 0.399 | 59% | 0.59 | S | S | . | * | trans | -103.1 | 106.9 | 173 | -36.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 113 | C | 27.1 | Very low | 25.9 | Very low | 73 Ų | 73 | 104.9 Ų | 104.9 | 49% | 0.493 | 59% | 0.586 | S | S | . | * | trans | -95.1 | 131.3 | 172.8 | -67.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 114 | W | 27.8 | Very low | 26 | Very low | 122 Ų | 122 | 104.2 Ų | 104.2 | 46% | 0.462 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -111.2 | 124.5 | 177.2 | -57.2 | 86 | 0 | 0 | 0 | 108.9 | Y123 P235 | W114-Y123 HydrophobicContact CH2-CD2 4.4Å; W114-P235 HydrophobicContact CH2-CG 4.46Å; W114-P235 HydrophobicContact CZ3-CG 4.27Å |
| 115 | R | 26.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 105.4 Ų | 105.4 | 59% | 0.585 | 57% | 0.573 | S | S | * | * | trans | -96 | 110.8 | 169.3 | -174.1 | 171.3 | 173.5 | 178.9 | -6.8 | 107.9 | D117 F124 | R115-D117 VanDerWaalsContact C-N 3.25Å; R115-D117 HydrophobicContact CG-CB 4.24Å; R115-D117 WeakPolarHBondContact CG-OD1 3.46Å; R115-D117 IonicContact CZ-OD2 2.69Å; R115-D117 IonicContact NE-OD1 3.1Å; R115-D117 PolarHBondContact NE-OD1 3.35Å; R115-D117 IonicContact NE-OD2 2.64Å; R115-D117 PolarHBondContact NE-OD2 3.34Å; R115-D117 IonicContact NH2-OD2 2.72Å; R115-D117 PolarHBondContact NH2-OD2 3.27Å; R115-D117 PolarHBondContact O-N 3.11Å; R115-F124 HydrophobicContact CB-CE2 4.45Å | ||
| 116 | C | 25.3 | Very low | 26.3 | Very low | 118 Ų | 118 | 105.5 Ų | 105.5 | 80% | 0.797 | 57% | 0.571 | S | S | * | * | trans | -88.4 | 65.2 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 117 | D | 27.2 | Very low | 26.3 | Very low | 85 Ų | 85 | 104.1 Ų | 104.1 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | trans | -97.8 | 141.5 | 171.8 | -75 | 22.9 | 0 | 0 | 0 | 109.4 | R115 | R115-D117 VanDerWaalsContact C-N 3.25Å; R115-D117 HydrophobicContact CG-CB 4.24Å; R115-D117 WeakPolarHBondContact CG-OD1 3.46Å; R115-D117 IonicContact CZ-OD2 2.69Å; R115-D117 IonicContact NE-OD1 3.1Å; R115-D117 PolarHBondContact NE-OD1 3.35Å; R115-D117 IonicContact NE-OD2 2.64Å; R115-D117 PolarHBondContact NE-OD2 3.34Å; R115-D117 IonicContact NH2-OD2 2.72Å; R115-D117 PolarHBondContact NH2-OD2 3.27Å; R115-D117 PolarHBondContact O-N 3.11Å | ||
| 118 | G | 25 | Very low | 26.4 | Very low | 74 Ų | 74 | 106.3 Ų | 106.3 | 76% | 0.763 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.6 | 143.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | N120 | G118-N120 VanDerWaalsContact C-N 3.35Å; G118-N120 PolarHBondContact O-N 2.89Å; G118-N120 VanDerWaalsContact O-N 3.13Å |
| 119 | E | 27 | Very low | 26.3 | Very low | 194 Ų | 194 | 108.4 Ų | 108.4 | 91% | 0.907 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.8 | -22.4 | 168 | -57.7 | -169.3 | 155.6 | 0 | 0 | 119 | ||
| 120 | N | 26.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 113 Ų | 113 | 67% | 0.674 | 59% | 0.593 | S | S | * | * | trans | -147.4 | 104.7 | 176.6 | -80.9 | -47.6 | 0 | 0 | 0 | 113.8 | G118 Q122 | G118-N120 VanDerWaalsContact C-N 3.35Å; G118-N120 PolarHBondContact O-N 2.89Å; G118-N120 VanDerWaalsContact O-N 3.13Å; N120-Q122 PolarHBondContact O-N 3.33Å; N120-Q122 VanDerWaalsContact O-N 3.1Å | ||
| 121 | P | 27 | Very low | 26.1 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 66% | 0.656 | 59% | 0.588 | S | S | * | * | trans | -67.8 | 110.5 | 171.6 | 26.9 | -30.9 | 0 | 0 | 0 | 110 | ||||
| 122 | Q | 26.1 | Very low | 26.2 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | trans | -89.6 | 119.3 | 170.6 | -70.3 | -175.5 | -6.9 | 0 | 0 | 109.4 | N120 F124 | N120-Q122 PolarHBondContact O-N 3.33Å; N120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-F124 HydrophobicContact CB-CD2 4.39Å; Q122-F124 HydrophobicContact CB-CE2 3.77Å; Q122-F124 HydrophobicContact CB-CZ 4.15Å; Q122-F124 WeakPolarHBondContact O-CD2 3.01Å; Q122-F124 PolarHBondContact O-N 2.99Å | ||
| 123 | Y | 27.7 | Very low | 26.1 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | B | Isolated β-bridge | trans | -72.8 | 116.3 | 168.2 | 178.2 | -105.6 | 0 | 0 | 0 | 108.5 | W114 D125 | W114-Y123 HydrophobicContact CH2-CD2 4.4Å; Y123-D125 HydrophobicContact CD1-CB 3.99Å; Y123-D125 HydrophobicContact CE1-CB 3.34Å; Y123-D125 PolarHBondContact OH-OD1 2.93Å |
| 124 | F | 25.8 | Very low | 25.9 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 33% | 0.325 | 64% | 0.636 | S | S | . | * | trans | -96.4 | 99.1 | 170 | -70.5 | -85.3 | 0 | 0 | 0 | 108.3 | R115 Q122 H126 | R115-F124 HydrophobicContact CB-CE2 4.45Å; Q122-F124 HydrophobicContact CB-CD2 4.39Å; Q122-F124 HydrophobicContact CB-CE2 3.77Å; Q122-F124 HydrophobicContact CB-CZ 4.15Å; Q122-F124 WeakPolarHBondContact O-CD2 3.01Å; Q122-F124 PolarHBondContact O-N 2.99Å; F124-H126 PolarHBondContact O-N 3.29Å | ||
| 125 | D | 28.1 | Very low | 25.6 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | trans | -75.4 | 76 | 168.8 | -145.2 | 9 | 0 | 0 | 0 | 108.7 | Y123 S127 | Y123-D125 HydrophobicContact CD1-CB 3.99Å; Y123-D125 HydrophobicContact CE1-CB 3.34Å; Y123-D125 PolarHBondContact OH-OD1 2.93Å; D125-S127 PolarHBondContact O-N 3.29Å; D125-S127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | H | 27 | Very low | 25.5 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | trans | -83.8 | 77.2 | 166.3 | -77.5 | -48.3 | 0 | 0 | 0 | 108.5 | F124 F128 | F124-H126 PolarHBondContact O-N 3.29Å; H126-F128 PolarHBondContact O-N 3.06Å; H126-F128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | S | 24.4 | Very low | 25.4 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | trans | -57.6 | 115.9 | 148.1 | 59.3 | 0 | 0 | 0 | 0 | 106.3 | D125 Q129 | D125-S127 PolarHBondContact O-N 3.29Å; D125-S127 VanDerWaalsContact O-N 3.1Å; S127-Q129 PolarHBondContact O-N 2.65Å | ||
| 128 | F | 24.2 | Very low | 25.2 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | trans | -63 | 77 | 168.9 | -82.4 | -98.7 | 0 | 0 | 0 | 108.9 | V111 H126 | V111-F128 HydrophobicContact CB-CE2 3.8Å; V111-F128 HydrophobicContact CG2-CD2 4.34Å; V111-F128 HydrophobicContact CG2-CE2 3.53Å; V111-F128 HydrophobicContact CG2-CZ 4.2Å; H126-F128 PolarHBondContact O-N 3.06Å; H126-F128 VanDerWaalsContact O-N 3.14Å | ||
| 129 | Q | 24.5 | Very low | 25.2 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | trans | -83.2 | 120.7 | 146.5 | -78.5 | -172.5 | -12.8 | 0 | 0 | 105.1 | S127 D131 | S127-Q129 PolarHBondContact O-N 2.65Å; Q129-D131 PolarHBondContact O-N 3.07Å | ||
| 130 | Q | 25.5 | Very low | 25 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 65% | 0.652 | S | S | * | * | trans | -68.1 | 72.6 | 174.8 | -161.5 | 176.1 | 19.7 | 0 | 0 | 107.6 | ||||
| 131 | D | 22.9 | Very low | 24.8 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 57% | 0.572 | 65% | 0.652 | S | S | * | * | trans | -80.6 | 121.5 | -179.7 | -149.3 | -3.8 | 0 | 0 | 0 | 107.6 | Q129 K133 C134 | Q129-D131 PolarHBondContact O-N 3.07Å; D131-K133 PolarHBondContact O-N 2.88Å; D131-C134 PolarHBondContact O-N 3.5Å | ||
| 132 | E | 27.6 | Very low | 24.5 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 8.1 | -175.8 | -75.4 | -173.7 | 144.5 | 0 | 0 | 113.7 | K308 | E132-K308 IonicContact OE1-NZ 2.92Å; E132-K308 PolarHBondContact OE1-NZ 3.12Å |
| 133 | K | 24.4 | Very low | 24.4 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | 1.2 | -176 | -71 | -177.4 | 177.1 | 176.2 | 0 | 115.3 | D131 D135 | D131-K133 PolarHBondContact O-N 2.88Å; K133-D135 PolarHBondContact O-N 2.77Å; K133-D135 VanDerWaalsContact O-N 3.09Å |
| 134 | C | 23.1 | Very low | 24.1 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | trans | -86.8 | 78.5 | 176.3 | -90.7 | 0 | 0 | 0 | 0 | 112.2 | D131 L136 | D131-C134 PolarHBondContact O-N 3.5Å; C134-L136 PolarHBondContact O-N 3.46Å | ||
| 135 | D | 22.8 | Very low | 23.9 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 51% | 0.508 | 71% | 0.713 | S | S | . | * | trans | -77 | 45.8 | 178.6 | -128.2 | -8.6 | 0 | 0 | 0 | 112.4 | K133 M137 R138 | K133-D135 PolarHBondContact O-N 2.77Å; K133-D135 VanDerWaalsContact O-N 3.09Å; D135-M137 PolarHBondContact O-N 3.45Å; D135-R138 PolarHBondContact O-N 2.96Å; D135-R138 WeakPolarHBondContact OD2-CD 3.44Å; D135-R138 IonicContact OD2-CZ 3.62Å; D135-R138 IonicContact OD2-NE 3.87Å; D135-R138 IonicContact OD2-NH1 2.73Å; D135-R138 PolarHBondContact OD2-NH1 3.17Å | ||
| 136 | L | 22.7 | Very low | 23.5 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 63% | 0.628 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 11.1 | -177.5 | -101.7 | 155.7 | 0 | 0 | 0 | 114.5 | C134 | C134-L136 PolarHBondContact O-N 3.46Š|
| 137 | M | 23.7 | Very low | 23.2 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 6.2 | 164.3 | -76.2 | -102 | -69.4 | 0 | 0 | 112.7 | D135 | D135-M137 PolarHBondContact O-N 3.45Š|
| 138 | R | 23.7 | Very low | 23.1 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | -109.2 | 6.1 | -174.5 | -90.6 | -179.9 | 169.3 | 168.3 | -7.2 | 117.1 | D135 | D135-R138 PolarHBondContact O-N 2.96Å; D135-R138 WeakPolarHBondContact OD2-CD 3.44Å; D135-R138 IonicContact OD2-CZ 3.62Å; D135-R138 IonicContact OD2-NE 3.87Å; D135-R138 IonicContact OD2-NH1 2.73Å; D135-R138 PolarHBondContact OD2-NH1 3.17Å | ||
| 139 | E | 24 | Very low | 22.9 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -100.6 | 14.5 | 174.8 | -78.3 | -167.1 | 167.6 | 0 | 0 | 115.1 | P141 | E139-P141 WeakPolarHBondContact O-CD 2.95Š| ||
| 140 | F | 22.9 | Very low | 22.8 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -79.6 | 116.6 | 158 | -80.2 | -82.4 | 0 | 0 | 0 | 108.4 | ||
| 141 | P | 22.6 | Very low | 22.6 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -57 | 131.9 | 178.2 | 21.9 | -31 | 0 | 0 | 0 | 109.2 | E139 E143 | E139-P141 WeakPolarHBondContact O-CD 2.95Å; P141-E143 PolarHBondContact O-N 3.44Å | ||
| 142 | P | 21.9 | Very low | 22.4 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -80.1 | 56.8 | -173.8 | 35.1 | -36.1 | 0 | 0 | 0 | 110.2 | ||
| 143 | E | 22.2 | Very low | 22 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -162.8 | 87.6 | -175.8 | -109.1 | 163.7 | -143.3 | 0 | 0 | 110.6 | P141 | P141-E143 PolarHBondContact O-N 3.44Š| ||
| 144 | L | 22.5 | Very low | 21.8 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 95% | 0.948 | 76% | 0.763 | S | S | * | * | trans | -162.3 | 72.1 | 143.7 | -101.6 | 152.4 | 0 | 0 | 0 | 107.3 | G146 | L144-G146 PolarHBondContact O-N 2.86Š| ||
| 145 | I | 20.8 | Very low | 21.7 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -61.1 | 121.8 | 163.2 | -61.9 | 172.4 | 0 | 0 | 0 | 107.1 | ||||
| 146 | G | 20.2 | Very low | 21.6 | Very low | 76 Ų | 76 | 144.5 Ų | 144.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -169.4 | 62.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L144 | L144-G146 PolarHBondContact O-N 2.86Š| ||
| 147 | G | 20 | Very low | 21.6 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 111.8 | 95.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | C149 | G147-C149 PolarHBondContact O-N 2.83Š|
| 148 | N | 22.5 | Very low | 21.6 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 53.1 | 40 | 144.2 | -69.9 | -2.4 | 0 | 0 | 0 | 120.6 | ||
| 149 | C | 21.5 | Very low | 21.6 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -138.2 | 97.5 | 163 | -80.6 | 0 | 0 | 0 | 0 | 111.6 | G147 V151 | G147-C149 PolarHBondContact O-N 2.83Å; C149-V151 PolarHBondContact O-N 3.45Å | ||
| 150 | T | 20.7 | Very low | 21.5 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -68.2 | 116.5 | 163.8 | 39.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 151 | V | 21.4 | Very low | 21.6 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -111 | 98.7 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | C149 | C149-V151 PolarHBondContact O-N 3.45Š| ||
| 152 | S | 20.1 | Very low | 21.6 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -65.3 | 137.1 | 166.3 | 29.9 | 0 | 0 | 0 | 0 | 110.3 | G154 | S152-G154 VanDerWaalsContact C-N 3.3Å; S152-G154 PolarHBondContact O-N 3.33Å | ||
| 153 | V | 19.2 | Very low | 21.6 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 97% | 0.97 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 92.1 | 169.2 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 154 | G | 20.1 | Very low | 21.6 | Very low | 54 Ų | 54 | 141.8 Ų | 141.8 | 56% | 0.557 | 81% | 0.806 | S | S | * | * | trans | -136.5 | 138 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S152 | S152-G154 VanDerWaalsContact C-N 3.3Å; S152-G154 PolarHBondContact O-N 3.33Å | ||
| 155 | Y | 20.5 | Very low | 21.6 | Very low | 236 Ų | 236 | 139.9 Ų | 139.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -43.2 | 141.3 | 176.1 | -74.9 | -104.6 | 0 | 0 | 0 | 112.7 | E157 | Y155-E157 VanDerWaalsContact C-N 3.34Å; Y155-E157 PolarHBondContact O-N 3.32Å | ||
| 156 | F | 21.4 | Very low | 21.7 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -60.5 | 83.1 | 179.7 | -87.1 | -99.3 | 0 | 0 | 0 | 112.2 | ||
| 157 | E | 22.8 | Very low | 21.8 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -133.4 | -7.7 | 165.8 | -98.3 | -174.3 | 160.6 | 0 | 0 | 115 | Y155 | Y155-E157 VanDerWaalsContact C-N 3.34Å; Y155-E157 PolarHBondContact O-N 3.32Å |
| 158 | E | 22.7 | Very low | 21.9 | Very low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -119.7 | -4.4 | -172.8 | -74.6 | -170.7 | 144.4 | 0 | 0 | 117.9 | Q160 | E158-Q160 PolarHBondContact O-N 3.22Š|
| 159 | V | 23.9 | Very low | 21.9 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 33.5 | 179.6 | -162.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 160 | Q | 22.7 | Very low | 22 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 57% | 0.565 | 80% | 0.798 | S | S | * | * | trans | -99.6 | 18.5 | 179.6 | -124.6 | 171.5 | 11.1 | 0 | 0 | 113.2 | R78 E158 | R78-Q160 VanDerWaalsContact CZ-CD 3.41Å; E158-Q160 PolarHBondContact O-N 3.22Å | ||
| 161 | R | 23.4 | Very low | 22.1 | Very low | 243 Ų | 243 | 148.2 Ų | 148.2 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -127.5 | 4.2 | -173.6 | -83.1 | -175.1 | 178.7 | 173 | 1.7 | 117.4 | ||
| 162 | A | 23.2 | Very low | 22.2 | Very low | 88 Ų | 88 | 148 Ų | 148 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -119.6 | 15.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N164 | A162-N164 PolarHBondContact O-N 2.82Š| ||
| 163 | G | 21.9 | Very low | 22.5 | Very low | 70 Ų | 70 | 152.5 Ų | 152.5 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 96.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 164 | N | 22.9 | Very low | 22.7 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | 8.9 | 160.5 | -96.9 | -10.4 | 0 | 0 | 0 | 115.6 | A162 | A162-N164 PolarHBondContact O-N 2.82Š|
| 165 | N | 22 | Very low | 22.9 | Very low | 141 Ų | 141 | 160.8 Ų | 160.8 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -122.8 | 25.8 | -166.8 | -76.2 | 1.8 | 0 | 0 | 0 | 117.5 | ||||
| 166 | F | 23.3 | Very low | 23.2 | Very low | 219 Ų | 219 | 154.4 Ų | 154.4 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | trans | -119.5 | 33.9 | 173 | -74.5 | -77.9 | 0 | 0 | 0 | 113.9 | ||||
| 167 | A | 21.1 | Very low | 23.3 | Very low | 73 Ų | 73 | 152.4 Ų | 152.4 | 60% | 0.603 | 80% | 0.804 | S | S | * | * | trans | -94.4 | 135.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 168 | H | 22.6 | Very low | 23.5 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 99.7 | 80 | 179.5 | -53 | -62.9 | 0 | 0 | 0 | 116.8 | ||||
| 169 | C | 22.6 | Very low | 23.5 | Very low | 136 Ų | 136 | 148 Ų | 148 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -110.3 | 16.4 | 146.6 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 170 | D | 23.1 | Very low | 23.7 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -112.6 | 86.8 | 166.7 | -79.6 | -33.8 | 0 | 0 | 0 | 107.3 | ||
| 171 | Q | 23 | Very low | 23.7 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | 162.6 | 125.8 | 142.9 | -90.7 | 175.7 | 9.6 | 0 | 0 | 109.7 | E173 | Q171-E173 PolarHBondContact O-N 3.3Š| ||
| 172 | P | 23.8 | Very low | 23.8 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -67 | 122.6 | 164.2 | 27.9 | -28.9 | 0 | 0 | 0 | 107.7 | D174 | P172-D174 PolarHBondContact O-N 3.19Š| ||
| 173 | E | 26.8 | Very low | 24 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -62.2 | 105.9 | 169 | -81.1 | -166.1 | 158.9 | 0 | 0 | 109.2 | Q171 R175 | Q171-E173 PolarHBondContact O-N 3.3Å; E173-R175 PolarHBondContact O-N 3.13Å | ||
| 174 | D | 22.8 | Very low | 24 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -33.1 | 111.3 | 163.8 | -118.6 | -24.6 | 0 | 0 | 0 | 112.7 | P172 | P172-D174 PolarHBondContact O-N 3.19Š| ||
| 175 | R | 24.1 | Very low | 24.1 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -142.4 | 108 | 146.3 | -76.6 | -162.7 | 173.4 | 168.9 | -0.3 | 110.6 | E173 | E173-R175 PolarHBondContact O-N 3.13Š| ||
| 176 | S | 26.1 | Very low | 24.2 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 93.4 | 102.4 | 156.5 | 74.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 177 | N | 24.5 | Very low | 24.2 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | 54.6 | 84.5 | 138.5 | -64 | -11.8 | 0 | 0 | 0 | 117.2 | ||||
| 178 | S | 26.9 | Very low | 24.4 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | -157.9 | 120.3 | 128.1 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | A180 | S178-A180 PolarHBondContact O-N 3.33Š| |||
| 179 | T | 23.3 | Very low | 24.6 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -64.3 | 106.6 | 166.6 | 13 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 180 | A | 27.1 | Very low | 24.9 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -138.5 | 95.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.4 | S178 G182 | S178-A180 PolarHBondContact O-N 3.33Å; A180-G182 PolarHBondContact O-N 3Å; A180-G182 VanDerWaalsContact O-N 3.13Å | ||
| 181 | N | 23.2 | Very low | 25.3 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -55.2 | 110.9 | 161.6 | -75.7 | -23.8 | 0 | 0 | 0 | 108.6 | ||||
| 182 | G | 26.8 | Very low | 25.7 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -145 | 113.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | A180 G184 | A180-G182 PolarHBondContact O-N 3Å; A180-G182 VanDerWaalsContact O-N 3.13Å; G182-G184 PolarHBondContact O-N 2.73Å | ||
| 183 | E | 25.8 | Very low | 26.1 | Very low | 197 Ų | 197 | 123.4 Ų | 123.4 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | trans | -45.6 | 129.1 | -177.6 | -66.8 | 171.8 | 137.1 | 0 | 0 | 112.2 | Q185 | E183-Q185 PolarHBondContact O-N 2.98Š| ||
| 184 | G | 23.2 | Very low | 26.4 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -58.7 | 107.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G182 | G182-G184 PolarHBondContact O-N 2.73Š| ||
| 185 | Q | 23.7 | Very low | 26.9 | Very low | 193 Ų | 193 | 122.6 Ų | 122.6 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | -103 | 88.8 | 155.1 | -73.3 | -178.7 | 2.6 | 0 | 0 | 106.9 | E183 A187 | E183-Q185 PolarHBondContact O-N 2.98Å; Q185-A187 PolarHBondContact O-N 3.34Å | ||
| 186 | S | 24.3 | Very low | 27.3 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -59.1 | 122.3 | 156.5 | 50.5 | 0 | 0 | 0 | 0 | 106.3 | G188 | S186-G188 PolarHBondContact O-N 2.96Š| ||
| 187 | A | 23.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 89% | 0.893 | 67% | 0.672 | S | S | * | * | trans | -65.7 | 76.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | Q185 I189 | Q185-A187 PolarHBondContact O-N 3.34Å; A187-I189 PolarHBondContact O-N 3.42Å | ||
| 188 | G | 24.7 | Very low | 28.1 | Very low | 55 Ų | 55 | 110.2 Ų | 110.2 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | trans | -66.4 | 121.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S186 S190 | S186-G188 PolarHBondContact O-N 2.96Å; G188-S190 PolarHBondContact O-N 2.93Å; G188-S190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | I | 27.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 107.5 Ų | 107.5 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | trans | -41.9 | 120.8 | 159.2 | -67.1 | 172.8 | 0 | 0 | 0 | 107 | A187 F193 R194 | A187-I189 PolarHBondContact O-N 3.42Å; I189-F193 HydrophobicContact CG2-CB 3.75Å; I189-F193 HydrophobicContact CG2-CD1 3.75Å; I189-F193 HydrophobicContact CG2-CG 4.19Å; I189-R194 HydrophobicContact CG2-CB 4.24Å | ||
| 190 | S | 28.9 | Very low | 29 | Very low | 60 Ų | 60 | 109.2 Ų | 109.2 | 42% | 0.42 | 62% | 0.617 | S | S | . | * | trans | -51.1 | 136.6 | -177.6 | 116.8 | 0 | 0 | 0 | 0 | 108.7 | G188 A192 F193 R194 | G188-S190 PolarHBondContact O-N 2.93Å; G188-S190 VanDerWaalsContact O-N 3.08Å; S190-A192 PolarHBondContact O-N 3.06Å; S190-A192 PolarHBondContact OG-N 3.03Å; S190-F193 WeakPolarHBondContact O-CA 3.32Å; S190-F193 VanDerWaalsContact O-CB 3.31Å; S190-F193 WeakPolarHBondContact O-CB 3.19Å; S190-F193 PolarHBondContact O-N 3.07Å; S190-F193 PolarHBondContact OG-N 2.88Å; S190-R194 PolarHBondContact O-N 3.24Å | ||
| 191 | P | 30.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 110.1 Ų | 110.1 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -53.8 | -27 | 178.7 | -27.1 | 33.4 | 0 | 0 | 0 | 112.9 | R195 | P191-R195 WeakPolarHBondContact O-CG 3.33Å; P191-R195 PolarHBondContact O-N 3.22Å; P191-R195 VanDerWaalsContact O-N 3.12Å |
| 192 | A | 32.7 | Very low | 29.7 | Very low | 37 Ų | 37 | 104.9 Ų | 104.9 | 31% | 0.306 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.4 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S190 R195 V196 | S190-A192 PolarHBondContact O-N 3.06Å; S190-A192 PolarHBondContact OG-N 3.03Å; A192-R195 PolarHBondContact O-N 3.21Å; A192-V196 VanDerWaalsContact O-CG2 3.25Å; A192-V196 WeakPolarHBondContact O-CG2 3.35Å; A192-V196 PolarHBondContact O-N 3.14Å; A192-V196 VanDerWaalsContact O-N 3.13Å |
| 193 | F | 32.7 | Very low | 30 | Very low | 95 Ų | 95 | 106.6 Ų | 106.6 | 42% | 0.417 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.3 | -37.3 | 175.7 | -152.7 | -93.8 | 0 | 0 | 0 | 111.6 | I189 S190 V196 F197 | I189-F193 HydrophobicContact CG2-CB 3.75Å; I189-F193 HydrophobicContact CG2-CD1 3.75Å; I189-F193 HydrophobicContact CG2-CG 4.19Å; S190-F193 WeakPolarHBondContact O-CA 3.32Å; S190-F193 VanDerWaalsContact O-CB 3.31Å; S190-F193 WeakPolarHBondContact O-CB 3.19Å; S190-F193 PolarHBondContact O-N 3.07Å; S190-F193 PolarHBondContact OG-N 2.88Å; F193-V196 PolarHBondContact O-N 3.19Å; F193-F197 AromaticContact CD1-CD2 3.93Å; F193-F197 HydrophobicContact CD1-CD2 3.93Å; F193-F197 AromaticContact CD1-CE2 3.9Å; F193-F197 HydrophobicContact CD1-CE2 3.9Å; F193-F197 AromaticContact CE1-CD2 3.95Å; F193-F197 HydrophobicContact CE1-CD2 3.95Å; F193-F197 AromaticContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CE2 3.42Å; F193-F197 VanDerWaalsContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CZ 4.47Å; F193-F197 HydrophobicContact CZ-CE2 4.13Å; F193-F197 PolarHBondContact O-N 2.89Å |
| 194 | R | 32.6 | Very low | 30.7 | Very low | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.4 | -42.8 | 173.2 | -158.5 | 178 | -166.2 | 157.6 | 6.3 | 112.4 | I189 S190 V196 F197 E198 | I189-R194 HydrophobicContact CG2-CB 4.24Å; S190-R194 PolarHBondContact O-N 3.24Å; R194-V196 VanDerWaalsContact C-N 3.29Å; R194-V196 PolarHBondContact O-N 3.38Å; R194-F197 PolarHBondContact O-N 3.48Å; R194-E198 IonicContact NE-OE1 3.48Å; R194-E198 WeakPolarHBondContact O-CB 3.04Å; R194-E198 WeakPolarHBondContact O-CG 3.43Å; R194-E198 PolarHBondContact O-N 3.25Å |
| 195 | R | 31.8 | Very low | 31.5 | Very low | 169 Ų | 169 | 106.5 Ų | 106.5 | 64% | 0.638 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.2 | -32.7 | 173.7 | -75.1 | -179.4 | -157.5 | -177 | 4.8 | 113.4 | P191 A192 K199 | P191-R195 WeakPolarHBondContact O-CG 3.33Å; P191-R195 PolarHBondContact O-N 3.22Å; P191-R195 VanDerWaalsContact O-N 3.12Å; A192-R195 PolarHBondContact O-N 3.21Å; R195-K199 VanDerWaalsContact O-CB 3.27Å; R195-K199 WeakPolarHBondContact O-CB 3.15Å; R195-K199 PolarHBondContact O-N 2.96Å |
| 196 | V | 33.3 | Very low | 32 | Very low | 28 Ų | 28 | 99 Ų | 99 | 17% | 0.17 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -67.9 | -49.3 | 175.7 | 170 | 0 | 0 | 0 | 0 | 109.4 | A192 F193 R194 K199 Y200 Y219 | A192-V196 VanDerWaalsContact O-CG2 3.25Å; A192-V196 WeakPolarHBondContact O-CG2 3.35Å; A192-V196 PolarHBondContact O-N 3.14Å; A192-V196 VanDerWaalsContact O-N 3.13Å; F193-V196 PolarHBondContact O-N 3.19Å; R194-V196 VanDerWaalsContact C-N 3.29Å; R194-V196 PolarHBondContact O-N 3.38Å; V196-K199 PolarHBondContact O-N 2.93Å; V196-Y200 HydrophobicContact CG1-CD2 3.74Å; V196-Y200 HydrophobicContact CG1-CE2 3.7Å; V196-Y200 WeakPolarHBondContact O-CD2 3.34Å; V196-Y200 PolarHBondContact O-N 3.32Å; V196-Y219 HydrophobicContact CG2-CD1 4.27Å; V196-Y219 HydrophobicContact CG2-CE1 4.07Å |
| 197 | F | 34.3 | Very low | 32.5 | Very low | 117 Ų | 117 | 102 Ų | 102 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 173.8 | -91.5 | -92.3 | 0 | 0 | 0 | 112.2 | F193 R194 K199 Y200 E201 | F193-F197 AromaticContact CD1-CD2 3.93Å; F193-F197 HydrophobicContact CD1-CD2 3.93Å; F193-F197 AromaticContact CD1-CE2 3.9Å; F193-F197 HydrophobicContact CD1-CE2 3.9Å; F193-F197 AromaticContact CE1-CD2 3.95Å; F193-F197 HydrophobicContact CE1-CD2 3.95Å; F193-F197 AromaticContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CE2 3.42Å; F193-F197 VanDerWaalsContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CZ 4.47Å; F193-F197 HydrophobicContact CZ-CE2 4.13Å; F193-F197 PolarHBondContact O-N 2.89Å; R194-F197 PolarHBondContact O-N 3.48Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 2.99Å; F197-Y200 CarbonylContact O-C 3.55Å; F197-Y200 PolarHBondContact O-N 3.35Å; F197-E201 WeakPolarHBondContact O-CB 3.37Å; F197-E201 PolarHBondContact O-N 3.1Å |
| 198 | E | 33.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 99.1 Ų | 99.1 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -35.6 | 177.8 | -77.1 | 170 | 176.9 | 0 | 0 | 112.9 | R194 N202 | R194-E198 IonicContact NE-OE1 3.48Å; R194-E198 WeakPolarHBondContact O-CB 3.04Å; R194-E198 WeakPolarHBondContact O-CG 3.43Å; R194-E198 PolarHBondContact O-N 3.25Å; E198-N202 PolarHBondContact O-N 2.96Å |
| 199 | K | 34.3 | Very low | 33.3 | Very low | 55 Ų | 55 | 104.8 Ų | 104.8 | 24% | 0.239 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.2 | -32.7 | 173.5 | -172.7 | -178.9 | -167.2 | 160.2 | 0 | 113.1 | R195 V196 F197 P203 V208 F211 | R195-K199 VanDerWaalsContact O-CB 3.27Å; R195-K199 WeakPolarHBondContact O-CB 3.15Å; R195-K199 PolarHBondContact O-N 2.96Å; V196-K199 PolarHBondContact O-N 2.93Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 2.99Å; K199-P203 WeakPolarHBondContact O-CA 3.46Å; K199-V208 HydrophobicContact CB-CG2 4.34Å; K199-V208 HydrophobicContact CD-CB 4.07Å; K199-V208 HydrophobicContact CD-CG1 3.85Å; K199-V208 HydrophobicContact CD-CG2 3.99Å; K199-V208 HydrophobicContact CG-CB 4.49Å; K199-V208 HydrophobicContact CG-CG2 3.94Å; K199-F211 HydrophobicContact CD-CD2 3.91Å; K199-F211 HydrophobicContact CD-CE2 3.36Å; K199-F211 HydrophobicContact CD-CZ 4.31Å |
| 200 | Y | 34.7 | Very low | 33.6 | Very low | 187 Ų | 187 | 105.7 Ų | 105.7 | 73% | 0.733 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -81.9 | -29.1 | 177.6 | -82.9 | -70.7 | 0 | 0 | 0 | 112.7 | V196 F197 | V196-Y200 HydrophobicContact CG1-CD2 3.74Å; V196-Y200 HydrophobicContact CG1-CE2 3.7Å; V196-Y200 WeakPolarHBondContact O-CD2 3.34Å; V196-Y200 PolarHBondContact O-N 3.32Å; F197-Y200 CarbonylContact O-C 3.55Å; F197-Y200 PolarHBondContact O-N 3.35Å |
| 201 | E | 31.3 | Very low | 33.9 | Very low | 107 Ų | 107 | 105.7 Ų | 105.7 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -82.2 | -39.2 | 177.5 | -117.8 | 166.1 | -171.4 | 0 | 0 | 112.1 | H86 F197 | H86-E201 WeakPolarHBondContact CE1-CG 3.35Å; F197-E201 WeakPolarHBondContact O-CB 3.37Å; F197-E201 PolarHBondContact O-N 3.1Å |
| 202 | N | 33.8 | Very low | 34.2 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | trans | -133.2 | 79.4 | 179.3 | -86.2 | -54.9 | 0 | 0 | 0 | 111.5 | E198 E204 S205 | E198-N202 PolarHBondContact O-N 2.96Å; N202-E204 PolarHBondContact O-N 3.47Å; N202-S205 WeakPolarHBondContact CB-OG 3.38Å; N202-S205 PolarHBondContact O-N 3.02Å; N202-S205 VanDerWaalsContact O-N 3.12Å; N202-S205 PolarHBondContact O-OG 3.03Å | ||
| 203 | P | 33.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.8 | 179.3 | 24.2 | -33.1 | 0 | 0 | 0 | 113.5 | K199 | K199-P203 WeakPolarHBondContact O-CA 3.46Š|
| 204 | E | 39.6 | Very low | 33.9 | Very low | 192 Ų | 192 | 107.7 Ų | 107.7 | 90% | 0.897 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -18.3 | 178.8 | -59.4 | -170.9 | 170.3 | 0 | 0 | 114 | N202 | N202-E204 PolarHBondContact O-N 3.47Š|
| 205 | S | 40.3 | Very low | 33.7 | Very low | 83 Ų | 83 | 104 Ų | 104 | 58% | 0.58 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.5 | -173 | 76.4 | 0 | 0 | 0 | 0 | 114 | N202 | N202-S205 WeakPolarHBondContact CB-OG 3.38Å; N202-S205 PolarHBondContact O-N 3.02Å; N202-S205 VanDerWaalsContact O-N 3.12Å; N202-S205 PolarHBondContact O-OG 3.03Å |
| 206 | A | 34.6 | Very low | 33.5 | Very low | 36 Ų | 36 | 98.3 Ų | 98.3 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | trans | -114.7 | 118 | -175.4 | 0 | 0 | 0 | 0 | 0 | 108 | V208 | A206-V208 HydrophobicContact CB-CB 4.49Å; A206-V208 HydrophobicContact CB-CG2 3.11Å; A206-V208 PolarHBondContact O-N 2.97Å | ||
| 207 | N | 34.1 | Very low | 33.1 | Very low | 171 Ų | 171 | 103.9 Ų | 103.9 | 91% | 0.914 | 54% | 0.539 | S | S | * | . | trans | -61.3 | 53.6 | 160.2 | -82.7 | -28.2 | 0 | 0 | 0 | 109 | E209 | N207-E209 PolarHBondContact O-N 3.49Š| ||
| 208 | V | 32.7 | Very low | 32.8 | Very low | 49 Ų | 49 | 104 Ų | 104 | 30% | 0.297 | 54% | 0.541 | S | S | . | . | trans | -79.6 | 87.1 | -179.5 | -156.8 | 0 | 0 | 0 | 0 | 105.3 | K199 A206 T210 F211 | K199-V208 HydrophobicContact CB-CG2 4.34Å; K199-V208 HydrophobicContact CD-CB 4.07Å; K199-V208 HydrophobicContact CD-CG1 3.85Å; K199-V208 HydrophobicContact CD-CG2 3.99Å; K199-V208 HydrophobicContact CG-CB 4.49Å; K199-V208 HydrophobicContact CG-CG2 3.94Å; A206-V208 HydrophobicContact CB-CB 4.49Å; A206-V208 HydrophobicContact CB-CG2 3.11Å; A206-V208 PolarHBondContact O-N 2.97Å; V208-T210 PolarHBondContact O-N 3.39Å; V208-F211 HydrophobicContact CG1-CE2 4.15Å; V208-F211 HydrophobicContact CG1-CZ 4.14Å | ||
| 209 | E | 32.5 | Very low | 32.6 | Very low | 173 Ų | 173 | 103.6 Ų | 103.6 | 81% | 0.808 | 54% | 0.536 | S | S | * | . | trans | -19.1 | 112.6 | 143.6 | -68.7 | -179 | 156.3 | 0 | 0 | 108 | N207 F211 | N207-E209 PolarHBondContact O-N 3.49Å; E209-F211 PolarHBondContact O-N 3.42Å | ||
| 210 | T | 35.1 | Very low | 32.4 | Very low | 135 Ų | 135 | 107.5 Ų | 107.5 | 83% | 0.828 | 56% | 0.555 | S | S | * | * | trans | -37.8 | 113.4 | 177.5 | 36.6 | 0 | 0 | 0 | 0 | 108.6 | V208 S212 | V208-T210 PolarHBondContact O-N 3.39Å; T210-S212 PolarHBondContact O-N 2.91Å; T210-S212 VanDerWaalsContact O-N 3.1Å | ||
| 211 | F | 33.8 | Very low | 32 | Very low | 61 Ų | 61 | 105.5 Ų | 105.5 | 27% | 0.268 | 55% | 0.546 | S | S | . | . | trans | -50.4 | 126.9 | 173.5 | -79.5 | -59.8 | 0 | 0 | 0 | 106.2 | K199 V208 E209 E215 Y219 | K199-F211 HydrophobicContact CD-CD2 3.91Å; K199-F211 HydrophobicContact CD-CE2 3.36Å; K199-F211 HydrophobicContact CD-CZ 4.31Å; V208-F211 HydrophobicContact CG1-CE2 4.15Å; V208-F211 HydrophobicContact CG1-CZ 4.14Å; E209-F211 PolarHBondContact O-N 3.42Å; F211-E215 WeakPolarHBondContact CA-OE2 3.44Å; F211-E215 HydrophobicContact CB-CB 4.19Å; F211-E215 HydrophobicContact CD1-CB 4.02Å; F211-E215 HydrophobicContact CG-CB 4.45Å; F211-Y219 HydrophobicContact CE1-CE2 4.42Å | ||
| 212 | S | 36.6 | Very low | 31.7 | Very low | 49 Ų | 49 | 103.5 Ų | 103.5 | 34% | 0.343 | 54% | 0.544 | S | S | . | . | trans | -55.4 | 146.2 | 173 | 58.9 | 0 | 0 | 0 | 0 | 108.4 | T210 S214 E215 S216 | T210-S212 PolarHBondContact O-N 2.91Å; T210-S212 VanDerWaalsContact O-N 3.1Å; S212-S214 WeakPolarHBondContact CB-OG 3.01Å; S212-S214 PolarHBondContact O-N 2.87Å; S212-S214 PolarHBondContact OG-OG 3.36Å; S212-E215 PolarHBondContact N-OE2 2.78Å; S212-E215 PolarHBondContact O-N 3.49Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 2.97Å; S212-E215 PolarHBondContact OG-OE2 3.17Å; S212-S216 PolarHBondContact O-N 2.95Å | ||
| 213 | D | 30.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 106.9 Ų | 106.9 | 79% | 0.786 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.8 | -21.6 | 176.1 | -74.3 | -29.3 | 0 | 0 | 0 | 112.4 | S216 Y217 | D213-S216 PolarHBondContact O-OG 3.2Å; D213-S216 VanDerWaalsContact O-OG 3.11Å; D213-Y217 WeakPolarHBondContact O-CB 3.37Å; D213-Y217 PolarHBondContact O-N 2.84Å |
| 214 | S | 29.3 | Very low | 31.4 | Very low | 73 Ų | 73 | 105.2 Ų | 105.2 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 171.3 | 36.8 | 0 | 0 | 0 | 0 | 113.9 | S212 H218 | S212-S214 WeakPolarHBondContact CB-OG 3.01Å; S212-S214 PolarHBondContact O-N 2.87Å; S212-S214 PolarHBondContact OG-OG 3.36Å; S214-H218 PolarHBondContact O-CD2 3.46Å; S214-H218 PolarHBondContact O-N 3.12Å |
| 215 | E | 27.9 | Very low | 30.9 | Very low | 84 Ų | 84 | 101.3 Ų | 101.3 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.3 | -45.5 | -178.8 | -75.9 | 165.7 | 141.9 | 0 | 0 | 111 | F211 S212 Y217 H218 Y219 | F211-E215 WeakPolarHBondContact CA-OE2 3.44Å; F211-E215 HydrophobicContact CB-CB 4.19Å; F211-E215 HydrophobicContact CD1-CB 4.02Å; F211-E215 HydrophobicContact CG-CB 4.45Å; S212-E215 PolarHBondContact N-OE2 2.78Å; S212-E215 PolarHBondContact O-N 3.49Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 2.97Å; S212-E215 PolarHBondContact OG-OE2 3.17Å; E215-Y217 VanDerWaalsContact C-N 3.28Å; E215-Y217 PolarHBondContact O-N 3.02Å; E215-H218 PolarHBondContact O-N 3.14Å; E215-H218 VanDerWaalsContact O-N 3.1Å; E215-Y219 HydrophobicContact CB-CE2 4.15Å; E215-Y219 WeakPolarHBondContact O-CD2 3.39Å; E215-Y219 PolarHBondContact O-N 3.12Å |
| 216 | S | 27.1 | Very low | 30.3 | Very low | 51 Ų | 51 | 102.2 Ų | 102.2 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.2 | -38.9 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | S212 D213 H218 Y219 E220 | S212-S216 PolarHBondContact O-N 2.95Å; D213-S216 PolarHBondContact O-OG 3.2Å; D213-S216 VanDerWaalsContact O-OG 3.11Å; S216-H218 VanDerWaalsContact C-N 3.35Å; S216-H218 PolarHBondContact O-N 3.48Å; S216-Y219 PolarHBondContact O-N 2.87Å; S216-E220 PolarHBondContact O-N 3.1Å; S216-E220 VanDerWaalsContact O-N 3.09Å |
| 217 | Y | 26.6 | Very low | 30.1 | Very low | 144 Ų | 144 | 103.8 Ų | 103.8 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -36.8 | 176.2 | -169.3 | -98.5 | 0 | 0 | 0 | 113.1 | D213 E215 R221 | D213-Y217 WeakPolarHBondContact O-CB 3.37Å; D213-Y217 PolarHBondContact O-N 2.84Å; E215-Y217 VanDerWaalsContact C-N 3.28Å; E215-Y217 PolarHBondContact O-N 3.02Å; Y217-R221 WeakPolarHBondContact O-CB 3.46Å; Y217-R221 PolarHBondContact O-N 2.89Å |
| 218 | H | 27.5 | Very low | 30 | Very low | 121 Ų | 121 | 104.5 Ų | 104.5 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.1 | -33.9 | 176.2 | -84.2 | -66.4 | 0 | 0 | 0 | 112.3 | S214 E215 S216 S222 | S214-H218 PolarHBondContact O-CD2 3.46Å; S214-H218 PolarHBondContact O-N 3.12Å; E215-H218 PolarHBondContact O-N 3.14Å; E215-H218 VanDerWaalsContact O-N 3.1Å; S216-H218 VanDerWaalsContact C-N 3.35Å; S216-H218 PolarHBondContact O-N 3.48Å; H218-S222 PolarHBondContact O-N 3.01Å; H218-S222 VanDerWaalsContact O-N 3.16Å; H218-S222 PolarHBondContact O-OG 2.97Å |
| 219 | Y | 28 | Very low | 29.9 | Very low | 84 Ų | 84 | 108 Ų | 108 | 33% | 0.329 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.7 | -43.1 | -180 | -68.8 | -66.3 | 0 | 0 | 0 | 113.3 | V196 F211 E215 S216 R221 S222 F223 | V196-Y219 HydrophobicContact CG2-CD1 4.27Å; V196-Y219 HydrophobicContact CG2-CE1 4.07Å; F211-Y219 HydrophobicContact CE1-CE2 4.42Å; E215-Y219 HydrophobicContact CB-CE2 4.15Å; E215-Y219 WeakPolarHBondContact O-CD2 3.39Å; E215-Y219 PolarHBondContact O-N 3.12Å; S216-Y219 PolarHBondContact O-N 2.87Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.32Å; Y219-S222 PolarHBondContact O-N 3.48Å; Y219-F223 PolarHBondContact O-N 3.13Å |
| 220 | E | 30 | Very low | 29.5 | Very low | 137 Ų | 137 | 103.5 Ų | 103.5 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 175.6 | -75.1 | -174.5 | 166.7 | 0 | 0 | 112.1 | S216 S224 | S216-E220 PolarHBondContact O-N 3.1Å; S216-E220 VanDerWaalsContact O-N 3.09Å; E220-S224 WeakPolarHBondContact O-CB 3.32Å; E220-S224 PolarHBondContact O-N 3.1Å; E220-S224 PolarHBondContact O-OG 2.91Å |
| 221 | R | 26.5 | Very low | 29.1 | Very low | 146 Ų | 146 | 101.1 Ų | 101.1 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 176 | -146.2 | 177 | -169 | -171.6 | 1.4 | 111.1 | Y217 Y219 S224 Q225 | Y217-R221 WeakPolarHBondContact O-CB 3.46Å; Y217-R221 PolarHBondContact O-N 2.89Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.32Å; R221-S224 PolarHBondContact O-N 3.35Å; R221-Q225 VanDerWaalsContact O-CB 3.26Å; R221-Q225 WeakPolarHBondContact O-CB 3.36Å; R221-Q225 PolarHBondContact O-N 3.43Å |
| 222 | S | 25.8 | Very low | 28.7 | Very low | 64 Ų | 64 | 103.1 Ų | 103.1 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 179.5 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | H218 Y219 Q225 L226 | H218-S222 PolarHBondContact O-N 3.01Å; H218-S222 VanDerWaalsContact O-N 3.16Å; H218-S222 PolarHBondContact O-OG 2.97Å; Y219-S222 PolarHBondContact O-N 3.48Å; S222-Q225 PolarHBondContact O-N 2.7Å; S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 PolarHBondContact O-N 3.16Å |
| 223 | F | 29.9 | Very low | 28.3 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.7 | -44.2 | 176 | -169.6 | -93.5 | 0 | 0 | 0 | 112 | Y219 Q225 L226 C227 | Y219-F223 PolarHBondContact O-N 3.13Å; F223-Q225 VanDerWaalsContact C-N 3.34Å; F223-Q225 PolarHBondContact O-N 2.69Å; F223-L226 PolarHBondContact O-N 3.19Å; F223-C227 PolarHBondContact O-N 3.1Å |
| 224 | S | 30 | Very low | 28.2 | Very low | 67 Ų | 67 | 105.2 Ų | 105.2 | 47% | 0.469 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 112 | E220 R221 W228 | E220-S224 WeakPolarHBondContact O-CB 3.32Å; E220-S224 PolarHBondContact O-N 3.1Å; E220-S224 PolarHBondContact O-OG 2.91Å; R221-S224 PolarHBondContact O-N 3.35Å; S224-W228 WeakPolarHBondContact O-CB 3.35Å; S224-W228 VanDerWaalsContact O-CD1 3.31Å; S224-W228 PolarHBondContact O-N 2.79Å |
| 225 | Q | 30.5 | Very low | 28.1 | Very low | 111 Ų | 111 | 105.8 Ų | 105.8 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.4 | -151.4 | 98.9 | 20.2 | 0 | 0 | 110.9 | R221 S222 F223 C227 W228 D229 | R221-Q225 VanDerWaalsContact O-CB 3.26Å; R221-Q225 WeakPolarHBondContact O-CB 3.36Å; R221-Q225 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact O-N 2.7Å; F223-Q225 VanDerWaalsContact C-N 3.34Å; F223-Q225 PolarHBondContact O-N 2.69Å; Q225-C227 PolarHBondContact O-N 2.72Å; Q225-W228 PolarHBondContact O-N 2.74Å; Q225-W228 VanDerWaalsContact O-N 3.17Å; Q225-D229 WeakPolarHBondContact O-CB 3.26Å; Q225-D229 VanDerWaalsContact O-CG 3.23Å; Q225-D229 PolarHBondContact O-N 2.79Å |
| 226 | L | 27 | Very low | 28.1 | Very low | 101 Ų | 101 | 109 Ų | 109 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.3 | -41.9 | 175.3 | -88.5 | 156.8 | 0 | 0 | 0 | 112.6 | S222 F223 D229 A230 | S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 PolarHBondContact O-N 3.16Å; F223-L226 PolarHBondContact O-N 3.19Å; L226-D229 PolarHBondContact O-N 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.84Å |
| 227 | C | 30.9 | Very low | 28 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 47% | 0.473 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.9 | -33.1 | 175 | -71.6 | 0 | 0 | 0 | 0 | 113.1 | F223 Q225 C231 | F223-C227 PolarHBondContact O-N 3.1Å; Q225-C227 PolarHBondContact O-N 2.72Å; C227-C231 WeakPolarHBondContact O-CB 3.44Å; C227-C231 PolarHBondContact O-N 3.06Å |
| 228 | W | 31.3 | Very low | 28 | Very low | 185 Ų | 185 | 109.3 Ų | 109.3 | 70% | 0.701 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.7 | -41.8 | 173.9 | -95.5 | 92.8 | 0 | 0 | 0 | 112.3 | S224 Q225 A230 C231 | S224-W228 WeakPolarHBondContact O-CB 3.35Å; S224-W228 VanDerWaalsContact O-CD1 3.31Å; S224-W228 PolarHBondContact O-N 2.79Å; Q225-W228 PolarHBondContact O-N 2.74Å; Q225-W228 VanDerWaalsContact O-N 3.17Å; W228-A230 VanDerWaalsContact C-N 3.34Å; W228-C231 PolarHBondContact O-N 3.22Å |
| 229 | D | 30.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 107.7 Ų | 107.7 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.6 | -31.2 | 178.4 | -70.5 | -22.2 | 0 | 0 | 0 | 111.6 | Q225 L226 C231 | Q225-D229 WeakPolarHBondContact O-CB 3.26Å; Q225-D229 VanDerWaalsContact O-CG 3.23Å; Q225-D229 PolarHBondContact O-N 2.79Å; L226-D229 PolarHBondContact O-N 3.24Å; D229-C231 VanDerWaalsContact C-N 3.33Å |
| 230 | A | 26 | Very low | 27.8 | Very low | 79 Ų | 79 | 112.2 Ų | 112.2 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -5.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L226 W228 P232 | L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.84Å; W228-A230 VanDerWaalsContact C-N 3.34Å; A230-P232 WeakPolarHBondContact O-CD 3.42Å |
| 231 | C | 26.2 | Very low | 27.6 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 57% | 0.574 | 62% | 0.615 | S | S | * | * | trans | -112.7 | 77.1 | 178.9 | -149.6 | 0 | 0 | 0 | 0 | 111 | C227 W228 D229 K233 | C227-C231 WeakPolarHBondContact O-CB 3.44Å; C227-C231 PolarHBondContact O-N 3.06Å; W228-C231 PolarHBondContact O-N 3.22Å; D229-C231 VanDerWaalsContact C-N 3.33Å; C231-K233 PolarHBondContact O-N 3.17Å | ||
| 232 | P | 25.1 | Very low | 27.5 | Very low | 103 Ų | 103 | 111.2 Ų | 111.2 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | trans | -72.3 | 101.1 | 178.8 | 30 | -32.4 | 0 | 0 | 0 | 108.7 | A230 | A230-P232 WeakPolarHBondContact O-CD 3.42Š| ||
| 233 | K | 28.7 | Very low | 27.4 | Very low | 180 Ų | 180 | 113.1 Ų | 113.1 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | 83.7 | 107 | 175.9 | -51.4 | 170.6 | -178.4 | 175.3 | 0 | 114.2 | C231 | C231-K233 PolarHBondContact O-N 3.17Š| ||
| 234 | S | 27.6 | Very low | 27.1 | Very low | 61 Ų | 61 | 111.3 Ų | 111.3 | 43% | 0.427 | 63% | 0.628 | S | S | . | * | trans | -55.7 | 130.9 | 153.3 | 165.4 | 0 | 0 | 0 | 0 | 109.2 | F236 G237 | S234-F236 PolarHBondContact O-N 3.32Å; S234-F236 WeakPolarHBondContact OG-CB 3.41Å; S234-F236 PolarHBondContact OG-N 2.64Å; S234-G237 PolarHBondContact O-N 2.86Å | ||
| 235 | P | 28.2 | Very low | 26.8 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -7.8 | 175.2 | 25.6 | -32.8 | 0 | 0 | 0 | 112.9 | W114 G237 | W114-P235 HydrophobicContact CH2-CG 4.46Å; W114-P235 HydrophobicContact CZ3-CG 4.27Å; P235-G237 VanDerWaalsContact C-N 3.34Å; P235-G237 PolarHBondContact O-N 3.01Å |
| 236 | F | 26.5 | Very low | 26.6 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 3.1 | -179.5 | -66 | -76 | 0 | 0 | 0 | 114.9 | S234 L238 | S234-F236 PolarHBondContact O-N 3.32Å; S234-F236 WeakPolarHBondContact OG-CB 3.41Å; S234-F236 PolarHBondContact OG-N 2.64Å; F236-L238 HydrophobicContact CB-CD1 4.18Å; F236-L238 HydrophobicContact CB-CG 4.04Å; F236-L238 PolarHBondContact O-N 3.3Å |
| 237 | G | 25.2 | Very low | 26.4 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | trans | 50.5 | 27.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S234 P235 P239 | S234-G237 PolarHBondContact O-N 2.86Å; P235-G237 VanDerWaalsContact C-N 3.34Å; P235-G237 PolarHBondContact O-N 3.01Å; G237-P239 WeakPolarHBondContact O-CD 3.39Å | ||
| 238 | L | 26.1 | Very low | 26.1 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 71% | 0.707 | 69% | 0.689 | S | S | * | * | trans | -66.7 | 113.1 | -174.9 | -82 | 166.8 | 0 | 0 | 0 | 106.3 | F236 E240 | F236-L238 HydrophobicContact CB-CD1 4.18Å; F236-L238 HydrophobicContact CB-CG 4.04Å; F236-L238 PolarHBondContact O-N 3.3Å; L238-E240 PolarHBondContact O-N 3.07Å; L238-E240 VanDerWaalsContact O-N 3.14Å | ||
| 239 | P | 26.8 | Very low | 25.8 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | trans | -58.2 | 127 | 178.9 | 18.6 | -24.2 | 0 | 0 | 0 | 107.5 | G237 D241 V242 | G237-P239 WeakPolarHBondContact O-CD 3.39Å; P239-D241 PolarHBondContact O-N 3.13Å; P239-V242 HydrophobicContact CG-CG2 3.95Å | ||
| 240 | E | 25.9 | Very low | 25.6 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.9 | 124.8 | 156.5 | -65.8 | 170.7 | 164.6 | 0 | 0 | 107.2 | L238 | L238-E240 PolarHBondContact O-N 3.07Å; L238-E240 VanDerWaalsContact O-N 3.14Å |
| 241 | D | 24.6 | Very low | 25.6 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.6 | 12.9 | 168.5 | -54.6 | -31.7 | 0 | 0 | 0 | 122.7 | P239 S243 | P239-D241 PolarHBondContact O-N 3.13Å; D241-S243 PolarHBondContact O-N 3.28Å |
| 242 | V | 25 | Very low | 25.6 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | trans | -83.6 | 88.7 | 168.8 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | P239 I244 | P239-V242 HydrophobicContact CG-CG2 3.95Å; V242-I244 HydrophobicContact CG1-CG1 4.14Å; V242-I244 PolarHBondContact O-N 3.41Å | ||
| 243 | S | 24 | Very low | 25.8 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -66.2 | 86.8 | 168.2 | 68 | 0 | 0 | 0 | 0 | 111.2 | D241 R245 | D241-S243 PolarHBondContact O-N 3.28Å; S243-R245 PolarHBondContact O-N 2.92Å | ||
| 244 | I | 24.4 | Very low | 25.8 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 53% | 0.533 | 73% | 0.729 | S | S | . | * | trans | -68.3 | 106.4 | 172.8 | -57 | 161.2 | 0 | 0 | 0 | 108.1 | V242 L246 R276 | V242-I244 HydrophobicContact CG1-CG1 4.14Å; V242-I244 PolarHBondContact O-N 3.41Å; I244-L246 PolarHBondContact O-N 2.75Å; I244-L246 VanDerWaalsContact O-N 3.13Å; I244-R276 VanDerWaalsContact CB-NH2 3.33Å; I244-R276 VanDerWaalsContact CG2-NH2 3.25Å; I244-R276 VanDerWaalsContact O-CZ 3.31Å; I244-R276 PolarHBondContact O-NH1 2.9Å; I244-R276 PolarHBondContact O-NH2 3.31Å | ||
| 245 | R | 23.5 | Very low | 25.9 | Very low | 235 Ų | 235 | 139.8 Ų | 139.8 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -62.5 | 111.6 | 170.7 | -75.1 | -178.3 | 175.2 | -179.8 | -0.4 | 108.9 | S243 T247 | S243-R245 PolarHBondContact O-N 2.92Å; R245-T247 PolarHBondContact O-N 2.94Å | ||
| 246 | L | 24.4 | Very low | 26.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | -66.4 | 114 | 166.2 | -73.6 | 166.5 | 0 | 0 | 0 | 107.9 | I244 R248 | I244-L246 PolarHBondContact O-N 2.75Å; I244-L246 VanDerWaalsContact O-N 3.13Å; L246-R248 PolarHBondContact O-N 3.43Å | ||
| 247 | T | 24.7 | Very low | 26.4 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 123.3 | 166.1 | 17.3 | 0 | 0 | 0 | 0 | 108.6 | R245 P249 | R245-T247 PolarHBondContact O-N 2.94Å; T247-P249 WeakPolarHBondContact O-CD 3.34Å |
| 248 | R | 23.3 | Very low | 26.7 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125.9 | 174.3 | -75.3 | -178.3 | -178.5 | 174.4 | 1.4 | 108.3 | L246 R250 | L246-R248 PolarHBondContact O-N 3.43Å; R248-R250 PolarHBondContact O-N 2.96Å |
| 249 | P | 25.9 | Very low | 26.9 | Very low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59 | 132.4 | 169 | 8.8 | -7.1 | 0 | 0 | 0 | 108.9 | T247 | T247-P249 WeakPolarHBondContact O-CD 3.34Š|
| 250 | R | 25.1 | Very low | 27.1 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 144.8 | 175.9 | -77.1 | -179.9 | 173.2 | 178.7 | -1.6 | 109.8 | R248 I252 | R248-R250 PolarHBondContact O-N 2.96Å; R250-I252 PolarHBondContact O-N 3.37Å |
| 251 | G | 25.4 | Very low | 27.2 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -50 | 118.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 252 | I | 27.6 | Very low | 27.4 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 126.2 | 161.7 | -59.9 | 170.3 | 0 | 0 | 0 | 106.4 | R250 K254 | R250-I252 PolarHBondContact O-N 3.37Å; I252-K254 PolarHBondContact O-N 3.09Å |
| 253 | P | 28.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.7 | 179.4 | 21.9 | -30.6 | 0 | 0 | 0 | 110.6 | P255 | P253-P255 WeakPolarHBondContact O-CD 3.47Š|
| 254 | K | 30 | Very low | 27.6 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126 | 173.8 | -91.7 | 179.9 | 172.1 | -179.2 | 0 | 109.2 | I252 | I252-K254 PolarHBondContact O-N 3.09Š|
| 255 | P | 29.7 | Very low | 27.7 | Very low | 123 Ų | 123 | 153 Ų | 153 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.2 | 161.7 | -14.2 | 28.8 | 0 | 0 | 0 | 109.4 | P253 | P253-P255 WeakPolarHBondContact O-CD 3.47Š|
| 256 | S | 35.1 | Very low | 27.7 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 156.7 | 176 | 43.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 257 | E | 29.8 | Very low | 27.7 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 152.7 | -162.1 | -76.5 | 175.9 | 159.7 | 0 | 0 | 118.5 | ||
| 258 | P | 31.3 | Very low | 27.7 | Very low | 112 Ų | 112 | 157.8 Ų | 157.8 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 139.7 | -167.5 | 35 | -31.2 | 0 | 0 | 0 | 113.1 | E260 | P258-E260 PolarHBondContact O-N 2.73Š|
| 259 | V | 31 | Very low | 27.7 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 120 | 162.7 | -178.8 | 0 | 0 | 0 | 0 | 108 | P261 | V259-P261 WeakPolarHBondContact O-CD 3.46Š|
| 260 | E | 29.7 | Very low | 27.6 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 126.8 | -172.9 | -67.4 | -177.8 | 145.9 | 0 | 0 | 113.6 | P258 | P258-E260 PolarHBondContact O-N 2.73Š|
| 261 | P | 29.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 117.2 | 155.8 | 13.4 | 3.4 | 0 | 0 | 0 | 109.5 | V259 | V259-P261 WeakPolarHBondContact O-CD 3.46Š|
| 262 | I | 27.5 | Very low | 27.5 | Very low | 160 Ų | 160 | 156.8 Ų | 156.8 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -50.1 | 137.4 | 164.4 | -55.8 | 165.2 | 0 | 0 | 0 | 107.9 | ||
| 263 | V | 27.4 | Very low | 27.4 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 93.9 | 108.5 | 179.7 | -164 | 0 | 0 | 0 | 0 | 115.8 | P265 | V263-P265 VanDerWaalsContact O-CD 3.27Å; V263-P265 WeakPolarHBondContact O-CD 3.34Å |
| 264 | K | 25.5 | Very low | 27.2 | Very low | 194 Ų | 194 | 166.4 Ų | 166.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -58 | 115.7 | 173.2 | -74.4 | 177.2 | 177.4 | 174.6 | 0 | 111.2 | ||||
| 265 | P | 26.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 162.1 Ų | 162.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -85.4 | 113 | 167 | 19.3 | -4.5 | 0 | 0 | 0 | 109.2 | V263 R267 | V263-P265 VanDerWaalsContact O-CD 3.27Å; V263-P265 WeakPolarHBondContact O-CD 3.34Å; P265-R267 PolarHBondContact O-N 3.5Å | ||
| 266 | T | 24 | Very low | 26.7 | Very low | 139 Ų | 139 | 162.6 Ų | 162.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -77.8 | 7.4 | 176.6 | 39.3 | 0 | 0 | 0 | 0 | 114.2 | R268 | T266-R268 PolarHBondContact O-N 3.41Š| ||
| 267 | R | 24.7 | Very low | 26.1 | Very low | 208 Ų | 208 | 160.7 Ų | 160.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 97 | 179.2 | -79 | -177.7 | 172 | 178.8 | -2.8 | 111.5 | P265 F269 | P265-R267 PolarHBondContact O-N 3.5Å; R267-F269 HydrophobicContact CB-CE2 4.49Å; R267-F269 PolarHBondContact O-N 2.99Å | ||
| 268 | R | 23.8 | Very low | 25.9 | Very low | 249 Ų | 249 | 157.8 Ų | 157.8 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 98 | 161.7 | -76.6 | -176.7 | 175.9 | -171.4 | -0 | 108.2 | T266 G270 | T266-R268 PolarHBondContact O-N 3.41Å; R268-G270 PolarHBondContact O-N 3.48Å | ||
| 269 | F | 25 | Very low | 25.5 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -61.1 | 105.7 | 166 | -77 | -86.2 | 0 | 0 | 0 | 108.6 | R267 | R267-F269 HydrophobicContact CB-CE2 4.49Å; R267-F269 PolarHBondContact O-N 2.99Å | ||
| 270 | G | 22.6 | Very low | 25.1 | Very low | 53 Ų | 53 | 156.5 Ų | 156.5 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | trans | -58.4 | 141 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R268 F272 | R268-G270 PolarHBondContact O-N 3.48Å; G270-F272 WeakPolarHBondContact O-CD2 3.31Å; G270-F272 PolarHBondContact O-N 2.9Å | ||
| 271 | R | 24.2 | Very low | 24.7 | Very low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | -59.3 | 104.8 | 179.5 | -68.4 | 176.3 | 175 | -176.7 | -1.6 | 110.3 | R273 | R271-R273 PolarHBondContact O-N 3.49Š| ||
| 272 | F | 25.3 | Very low | 24.4 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -68 | 112.4 | 171.7 | -73.1 | -86.6 | 0 | 0 | 0 | 110.5 | G270 | G270-F272 WeakPolarHBondContact O-CD2 3.31Å; G270-F272 PolarHBondContact O-N 2.9Å | ||
| 273 | R | 23.8 | Very low | 24.2 | Very low | 240 Ų | 240 | 151.6 Ų | 151.6 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -77 | 114.3 | 162 | -83.2 | -177.7 | 172.6 | -174.4 | -1.4 | 107.3 | R271 C275 | R271-R273 PolarHBondContact O-N 3.49Å; R273-C275 PolarHBondContact O-N 3.32Å | ||
| 274 | R | 25.6 | Very low | 24 | Very low | 227 Ų | 227 | 153.2 Ų | 153.2 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 116.3 | -179.9 | -69.5 | -178.5 | 175.8 | -174.6 | -2.8 | 110.8 | ||||
| 275 | C | 23.6 | Very low | 23.8 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -67.7 | 136.8 | 160.5 | -80.8 | 0 | 0 | 0 | 0 | 109.5 | R273 | R273-C275 PolarHBondContact O-N 3.32Š| ||
| 276 | R | 25.2 | Very low | 23.6 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 51% | 0.506 | 78% | 0.777 | S | S | . | * | S | Bend | trans | -99.2 | 18.9 | -162.4 | -135.3 | -175.2 | -168.1 | 142.3 | -0.5 | 114.7 | I244 | I244-R276 VanDerWaalsContact CB-NH2 3.33Å; I244-R276 VanDerWaalsContact CG2-NH2 3.25Å; I244-R276 VanDerWaalsContact O-CZ 3.31Å; I244-R276 PolarHBondContact O-NH1 2.9Å; I244-R276 PolarHBondContact O-NH2 3.31Å |
| 277 | S | 23.2 | Very low | 23.5 | Very low | 79 Ų | 79 | 149.1 Ų | 149.1 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -128.5 | 12.1 | -170.9 | 42.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 278 | C | 23.9 | Very low | 23.4 | Very low | 128 Ų | 128 | 149 Ų | 149 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -131 | 25.1 | 172.4 | -52.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 279 | A | 23.3 | Very low | 23.4 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -143.4 | 81.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 280 | V | 22.3 | Very low | 23.4 | Very low | 150 Ų | 150 | 142 Ų | 142 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -125.5 | 89.8 | 154 | -169.8 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 281 | S | 22.6 | Very low | 23.3 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | -161.6 | 107.9 | 97.6 | 177.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 282 | P | 22.6 | Very low | 23.2 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -116.2 | 114.8 | 154.9 | 31.5 | -17.2 | 0 | 0 | 0 | 107.7 | ||
| 283 | V | 24 | Very low | 23.1 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 61.2 | 79.4 | 145.5 | -170.5 | 0 | 0 | 0 | 0 | 113.6 | M285 | V283-M285 VanDerWaalsContact C-N 3.33Å; V283-M285 PolarHBondContact O-N 3.46Å | ||
| 284 | L | 22.2 | Very low | 23.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 95.2 | 139.7 | -83.1 | 166.5 | 0 | 0 | 0 | 107.2 | ||||
| 285 | M | 22.5 | Very low | 23 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | 63.1 | 107.9 | 141.4 | -49.1 | -154.4 | -167.8 | 0 | 0 | 119.2 | V283 | V283-M285 VanDerWaalsContact C-N 3.33Å; V283-M285 PolarHBondContact O-N 3.46Å | ||
| 286 | C | 21.2 | Very low | 22.9 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | trans | 43.8 | 109.8 | 130.2 | -58 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 287 | G | 22.6 | Very low | 22.8 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -174.9 | 106.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 288 | E | 22.6 | Very low | 22.9 | Very low | 205 Ų | 205 | 134 Ų | 134 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -62.9 | 150.8 | 179.4 | -57.2 | 172.1 | 146.3 | 0 | 0 | 112.6 | ||||
| 289 | G | 23.3 | Very low | 22.9 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 148.7 | 86.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 290 | K | 24.4 | Very low | 23 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | 52 | 102.9 | 134.5 | -63.6 | -178.8 | 178.4 | 177.3 | 0 | 121.2 | ||||
| 291 | A | 21.7 | Very low | 23.2 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | 32.5 | 119.7 | 122.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 292 | G | 21.5 | Very low | 23.4 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 97.5 | 106.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 293 | I | 23.9 | Very low | 23.7 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -169.3 | 122.2 | 143.7 | -85.4 | 137.6 | 0 | 0 | 0 | 107.3 | ||||
| 294 | Q | 22.7 | Very low | 23.9 | Very low | 198 Ų | 198 | 132.8 Ų | 132.8 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -79.4 | 132.8 | 167.7 | -74.9 | 173.8 | -23.1 | 0 | 0 | 109.1 | ||||
| 295 | A | 23.1 | Very low | 24.2 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -126.9 | 116.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 296 | Q | 22.7 | Very low | 24.4 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -76.4 | 156.7 | 177.1 | -87.5 | -173.8 | -12.9 | 0 | 0 | 112.2 | ||||
| 297 | P | 23 | Very low | 24.8 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -84.7 | 126 | -175.9 | 33.4 | -28.5 | 0 | 0 | 0 | 109.8 | ||||
| 298 | N | 24.4 | Very low | 25.2 | Very low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -166.9 | 123.9 | 157.1 | -92.6 | -27 | 0 | 0 | 0 | 112.7 | ||||
| 299 | G | 24.8 | Very low | 25.6 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 78.5 | 92.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 300 | A | 25.5 | Very low | 25.9 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -127.4 | 94.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 301 | T | 25.4 | Very low | 26 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 123.9 | 171.7 | 35.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 302 | F | 27.2 | Very low | 26.2 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 130.7 | 167 | -70.2 | -92.4 | 0 | 0 | 0 | 108.8 | ||
| 303 | N | 30 | Very low | 26.4 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 44% | 0.439 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 152.1 | 174.1 | 49.7 | -4.6 | 0 | 0 | 0 | 110.8 | N305 G306 E307 | N303-N305 PolarHBondContact O-N 3.13Å; N303-G306 PolarHBondContact O-N 2.95Å; N303-G306 VanDerWaalsContact O-N 3.12Å; N303-E307 PolarHBondContact OD1-O 2.67Å; N303-E307 VanDerWaalsContact OD1-O 3.07Å |
| 304 | A | 27.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -5.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 305 | N | 29.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 4 | -178.5 | -62.2 | -0.1 | 0 | 0 | 0 | 113.4 | N303 E307 | N303-N305 PolarHBondContact O-N 3.13Å; N305-E307 PolarHBondContact O-N 2.88Å; N305-E307 VanDerWaalsContact O-N 3.13Å |
| 306 | G | 26 | Very low | 27 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | 68.7 | 9.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N303 | N303-G306 PolarHBondContact O-N 2.95Å; N303-G306 VanDerWaalsContact O-N 3.12Å | ||
| 307 | E | 29.1 | Very low | 27 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | trans | -86 | 121.2 | 178.7 | -75.1 | -174.1 | 154.7 | 0 | 0 | 111.7 | N303 N305 S309 | N303-E307 PolarHBondContact OD1-O 2.67Å; N303-E307 VanDerWaalsContact OD1-O 3.07Å; N305-E307 PolarHBondContact O-N 2.88Å; N305-E307 VanDerWaalsContact O-N 3.13Å; E307-S309 PolarHBondContact O-N 3.47Å | ||
| 308 | K | 32.2 | Very low | 27.2 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | trans | -58 | 105.9 | 174.5 | -75.9 | 179 | 176.5 | 175.7 | 0 | 110 | E132 A310 | E132-K308 IonicContact OE1-NZ 2.92Å; E132-K308 PolarHBondContact OE1-NZ 3.12Å; K308-A310 PolarHBondContact O-N 3.24Å | ||
| 309 | S | 30.5 | Very low | 27.3 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -60.3 | 122.1 | 166.4 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | E307 K311 | E307-S309 PolarHBondContact O-N 3.47Å; S309-K311 PolarHBondContact O-N 3.29Å | ||
| 310 | A | 28.8 | Very low | 27.4 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | trans | -67.4 | 115 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K308 | K308-A310 PolarHBondContact O-N 3.24Š| ||
| 311 | K | 26.3 | Very low | 27.5 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | 157.6 | 129.5 | 155.5 | -90.6 | 159 | -175 | -175.3 | 0 | 107.7 | S309 | S309-K311 PolarHBondContact O-N 3.29Š| ||
| 312 | A | 26 | Very low | 27.8 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 60% | 0.595 | 71% | 0.709 | S | S | * | * | cis | -165.3 | 135.6 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | I314 | A312-I314 VanDerWaalsContact C-N 3.34Å; A312-I314 PolarHBondContact O-N 3.13Å | ||
| 313 | D | 27.6 | Very low | 28.3 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 57% | 0.572 | 69% | 0.693 | S | S | * | * | trans | 42.5 | 34.1 | 143.4 | -71.9 | -38 | 0 | 0 | 0 | 120.8 | Y315 K316 | D313-Y315 PolarHBondContact O-N 3.45Å; D313-K316 PolarHBondContact O-N 2.96Å; D313-K316 VanDerWaalsContact O-N 3.16Å | ||
| 314 | I | 26.7 | Very low | 28.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -66 | -19.3 | 174.4 | -70.3 | 172.3 | 0 | 0 | 0 | 112.3 | A312 K316 | A312-I314 VanDerWaalsContact C-N 3.34Å; A312-I314 PolarHBondContact O-N 3.13Å; I314-K316 VanDerWaalsContact C-N 3.35Å |
| 315 | Y | 26.6 | Very low | 29 | Very low | 215 Ų | 215 | 126.7 Ų | 126.7 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -78.3 | -12.6 | 175.8 | -71.2 | -77.1 | 0 | 0 | 0 | 114.5 | D313 | D313-Y315 PolarHBondContact O-N 3.45Š|
| 316 | K | 28.1 | Very low | 30 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -97.1 | -0 | 178 | -80.4 | -178.4 | 177.3 | 170 | 0 | 114.6 | D313 I314 | D313-K316 PolarHBondContact O-N 2.96Å; D313-K316 VanDerWaalsContact O-N 3.16Å; I314-K316 VanDerWaalsContact C-N 3.35Å |
| 317 | L | 23.1 | Very low | 30.9 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -122.8 | 9.5 | -162.5 | -84.8 | 167.8 | 0 | 0 | 0 | 116.8 | ||
| 318 | R | 27 | Very low | 31.3 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 64% | 0.638 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -116.9 | -24.3 | -167.4 | -116.5 | 179.8 | -167.6 | -168.7 | 7 | 119.3 | ||
| 319 | W | 26.2 | Very low | 32.2 | Very low | 220 Ų | 220 | 125.9 Ų | 125.9 | 83% | 0.833 | 66% | 0.658 | S | S | * | * | trans | -153 | 134.1 | 178.8 | -64.1 | 80.1 | 0 | 0 | 0 | 109.3 | V321 | W319-V321 HydrophobicContact CB-CB 4.12Å; W319-V321 HydrophobicContact CB-CG2 3.61Å; W319-V321 HydrophobicContact CG-CG2 4.46Å; W319-V321 PolarHBondContact O-N 3.3Å | ||
| 320 | G | 26.7 | Very low | 33.3 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 92% | 0.918 | 65% | 0.654 | S | S | * | * | trans | -68.4 | 38.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P322 | G320-P322 WeakPolarHBondContact O-CD 3.28Š| ||
| 321 | V | 28.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 60% | 0.6 | 65% | 0.646 | S | S | * | * | trans | -85.6 | 113.3 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 105.6 | W319 | W319-V321 HydrophobicContact CB-CB 4.12Å; W319-V321 HydrophobicContact CB-CG2 3.61Å; W319-V321 HydrophobicContact CG-CG2 4.46Å; W319-V321 PolarHBondContact O-N 3.3Å | ||
| 322 | P | 32 | Very low | 35 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 44% | 0.442 | 63% | 0.625 | S | S | . | * | trans | -59.2 | 142.4 | 173.3 | -17.7 | 32.2 | 0 | 0 | 0 | 108.6 | G320 Q327 | G320-P322 WeakPolarHBondContact O-CD 3.28Å; P322-Q327 HydrophobicContact CB-CG 3.86Å; P322-Q327 HydrophobicContact CG-CG 4.44Å; P322-Q327 VanDerWaalsContact CG-NE2 3.34Å | ||
| 323 | D | 36.6 | Very low | 36.6 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 45% | 0.449 | 63% | 0.632 | S | S | . | * | trans | -47.2 | 121.3 | 174.4 | -169.2 | -25.9 | 0 | 0 | 0 | 109.8 | T325 K326 Q327 | D323-T325 PolarHBondContact O-N 2.94Å; D323-T325 VanDerWaalsContact O-N 3.12Å; D323-T325 PolarHBondContact OD1-N 3.42Å; D323-T325 PolarHBondContact OD1-OG1 3.25Å; D323-K326 HydrophobicContact CB-CB 4.18Å; D323-K326 HydrophobicContact CB-CD 4.37Å; D323-K326 HydrophobicContact CB-CG 4.18Å; D323-K326 WeakPolarHBondContact O-CA 3.18Å; D323-K326 WeakPolarHBondContact O-CB 3.34Å; D323-K326 PolarHBondContact O-N 2.99Å; D323-Q327 PolarHBondContact O-N 2.97Å; D323-Q327 VanDerWaalsContact O-N 3.13Å | ||
| 324 | P | 33.1 | Very low | 38 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.9 | -27.2 | -175.3 | 20.6 | -31.2 | 0 | 0 | 0 | 112.3 | Q327 E328 | P324-Q327 PolarHBondContact O-N 3.43Å; P324-E328 PolarHBondContact O-N 3.36Å |
| 325 | T | 38.6 | Very low | 39.1 | Very low | 86 Ų | 86 | 131 Ų | 131 | 53% | 0.528 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.9 | -32.6 | 173.9 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | D323 E329 | D323-T325 PolarHBondContact O-N 2.94Å; D323-T325 VanDerWaalsContact O-N 3.12Å; D323-T325 PolarHBondContact OD1-N 3.42Å; D323-T325 PolarHBondContact OD1-OG1 3.25Å; T325-E329 PolarHBondContact O-N 3.33Å |
| 326 | K | 51 | Low | 39.8 | Very low | 125 Ų | 125 | 128 Ų | 128 | 54% | 0.543 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -76.2 | -29.9 | 174.3 | -76.3 | -171.3 | 172.3 | -173.3 | 0 | 113.3 | D323 E330 | D323-K326 HydrophobicContact CB-CB 4.18Å; D323-K326 HydrophobicContact CB-CD 4.37Å; D323-K326 HydrophobicContact CB-CG 4.18Å; D323-K326 WeakPolarHBondContact O-CA 3.18Å; D323-K326 WeakPolarHBondContact O-CB 3.34Å; D323-K326 PolarHBondContact O-N 2.99Å; K326-E330 WeakPolarHBondContact O-CB 3.4Å; K326-E330 WeakPolarHBondContact O-CG 3.26Å; K326-E330 PolarHBondContact O-N 3.34Å |
| 327 | Q | 44 | Very low | 40.4 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 48% | 0.477 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.8 | -34.9 | 175.7 | -70.5 | -163.8 | -21.6 | 0 | 0 | 112.2 | P322 D323 P324 W331 | P322-Q327 HydrophobicContact CB-CG 3.86Å; P322-Q327 HydrophobicContact CG-CG 4.44Å; P322-Q327 VanDerWaalsContact CG-NE2 3.34Å; D323-Q327 PolarHBondContact O-N 2.97Å; D323-Q327 VanDerWaalsContact O-N 3.13Å; P324-Q327 PolarHBondContact O-N 3.43Å; Q327-W331 WeakPolarHBondContact O-CB 3.45Å; Q327-W331 PolarHBondContact O-N 3.01Å |
| 328 | E | 39 | Very low | 41.3 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -45.5 | 173.7 | -107 | 178.4 | 163 | 0 | 0 | 111.7 | P324 W331 F332 | P324-E328 PolarHBondContact O-N 3.36Å; E328-W331 PolarHBondContact O-N 3.44Å; E328-F332 WeakPolarHBondContact O-CD2 3.39Å; E328-F332 PolarHBondContact O-N 3.35Å |
| 329 | E | 50.8 | Low | 42 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.5 | -47 | 174.9 | -77 | -178.1 | 158.7 | 0 | 0 | 112.2 | T325 W331 F332 D333 | T325-E329 PolarHBondContact O-N 3.33Å; E329-W331 VanDerWaalsContact C-N 3.29Å; E329-W331 PolarHBondContact O-N 3.33Å; E329-F332 PolarHBondContact O-N 3.33Å; E329-D333 PolarHBondContact O-N 3.4Å |
| 330 | E | 53 | Low | 42.9 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -28.3 | 177.7 | -77.6 | -178.1 | 176.4 | 0 | 0 | 113.1 | K326 K334 | K326-E330 WeakPolarHBondContact O-CB 3.4Å; K326-E330 WeakPolarHBondContact O-CG 3.26Å; K326-E330 PolarHBondContact O-N 3.34Å; E330-K334 VanDerWaalsContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CB 3.39Å; E330-K334 PolarHBondContact O-N 3.46Å |
| 331 | W | 46.9 | Very low | 43.9 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.1 | -41.3 | 175.5 | -173.2 | 89.1 | 0 | 0 | 0 | 111.7 | Q327 E328 E329 K334 H335 | Q327-W331 WeakPolarHBondContact O-CB 3.45Å; Q327-W331 PolarHBondContact O-N 3.01Å; E328-W331 PolarHBondContact O-N 3.44Å; E329-W331 VanDerWaalsContact C-N 3.29Å; E329-W331 PolarHBondContact O-N 3.33Å; W331-K334 PolarHBondContact O-N 3.3Å; W331-H335 AromaticContact CE2-CD2 3.55Å; W331-H335 AromaticContact CZ2-CD2 3.82Å; W331-H335 AromaticContact NE1-CD2 3.51Å; W331-H335 AromaticContact NE1-NE2 3.72Å; W331-H335 PolarHBondContact O-N 3.4Å |
| 332 | F | 43.2 | Very low | 44.9 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -43.8 | 176.2 | -95 | -78.3 | 0 | 0 | 0 | 112.5 | E328 E329 K334 H335 Q336 | E328-F332 WeakPolarHBondContact O-CD2 3.39Å; E328-F332 PolarHBondContact O-N 3.35Å; E329-F332 PolarHBondContact O-N 3.33Å; F332-K334 VanDerWaalsContact C-N 3.26Å; F332-K334 PolarHBondContact O-N 3.13Å; F332-H335 PolarHBondContact O-N 3.28Å; F332-Q336 PolarHBondContact O-N 3.01Å |
| 333 | D | 60 | Low | 45.7 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.7 | -30.9 | 177.6 | -91.8 | -7.7 | 0 | 0 | 0 | 112.8 | E329 | E329-D333 PolarHBondContact O-N 3.4Å |
| 334 | K | 57 | Low | 46.4 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83.5 | -12.5 | -176.7 | -150.5 | 171.9 | -174.1 | 173.4 | 0 | 113.5 | E330 W331 F332 | E330-K334 VanDerWaalsContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CB 3.39Å; E330-K334 PolarHBondContact O-N 3.46Å; W331-K334 PolarHBondContact O-N 3.3Å; F332-K334 VanDerWaalsContact C-N 3.26Å; F332-K334 PolarHBondContact O-N 3.13Å |
| 335 | H | 51 | Low | 47.4 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 56% | 0.56 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -127.4 | 15.4 | -171.9 | -68.2 | -10.4 | 0 | 0 | 0 | 114 | W331 F332 | W331-H335 AromaticContact CE2-CD2 3.55Å; W331-H335 AromaticContact CZ2-CD2 3.82Å; W331-H335 AromaticContact NE1-CD2 3.51Å; W331-H335 AromaticContact NE1-NE2 3.72Å; W331-H335 PolarHBondContact O-N 3.4Å; F332-H335 PolarHBondContact O-N 3.28Å |
| 336 | Q | 41.3 | Very low | 48.1 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -101 | 19 | 176.2 | -94.2 | -165.7 | -0.4 | 0 | 0 | 115.7 | F332 | F332-Q336 PolarHBondContact O-N 3.01Š| ||
| 337 | T | 40.4 | Very low | 47.9 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 100% | 1.239 | 67% | 0.668 | S | S | * | * | trans | -101.4 | 0 | 174.8 | 35.5 | 0 | 0 | 0 | 0 | 115.1 |
Retrieved 337 of 337 residues in 393.3 ms
(Link to these results)