| 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 | 65.7 | Low | 85.1 | Confident | 194 Ų | 194 | 106.6 Ų | 106.6 | 96% | 0.956 | 54% | 0.538 | S | S | * | . | 0 | 149.7 | 0 | -69 | -177.5 | -170 | 0 | 0 | 109.3 | V6 | M1-V6 HydrophobicContact CB-CG2 3.75Š| |||
| 2 | K | 82.9 | Confident | 85.9 | Confident | 150 Ų | 150 | 107 Ų | 107 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | trans | -61 | 139.5 | 172.6 | -67.7 | -179.9 | 179.7 | 178 | 0 | 109.2 | Q4 N5 V6 | K2-Q4 PolarHBondContact O-N 3.34Å; K2-Q4 VanDerWaalsContact O-N 3.14Å; K2-N5 WeakPolarHBondContact O-CB 3.34Å; K2-N5 PolarHBondContact O-N 3.37Å; K2-V6 PolarHBondContact O-N 3.47Å; K2-V6 VanDerWaalsContact O-N 3.14Å | ||
| 3 | K | 78.8 | Confident | 86.7 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -51.6 | -36.6 | 178.5 | -74.7 | -180 | 175.5 | -171.1 | 0 | 112.7 | V6 R7 D257 | K3-V6 PolarHBondContact O-N 3.18Å; K3-R7 WeakPolarHBondContact O-CB 3.47Å; K3-R7 PolarHBondContact O-N 2.98Å; K3-D257 WeakPolarHBondContact CD-OD2 3.43Å; K3-D257 IonicContact NZ-OD1 3.81Å; K3-D257 PolarHBondContact NZ-OD1 3.32Å; K3-D257 IonicContact NZ-OD2 2.65Å; K3-D257 PolarHBondContact NZ-OD2 2.95Å |
| 4 | Q | 79.4 | Confident | 87.4 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 173.4 | -71.7 | 170 | -25.1 | 0 | 0 | 112.7 | K2 V6 R7 T8 E254 | K2-Q4 PolarHBondContact O-N 3.34Å; K2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-V6 VanDerWaalsContact C-N 3.34Å; Q4-V6 PolarHBondContact O-N 3.47Å; Q4-R7 PolarHBondContact O-N 2.94Å; Q4-T8 PolarHBondContact O-N 3.12Å; Q4-T8 PolarHBondContact O-OG1 3.08Å; Q4-T8 VanDerWaalsContact O-OG1 3.08Å; Q4-E254 PolarHBondContact NE2-OE1 3.19Å |
| 5 | N | 88.1 | Confident | 87.9 | Confident | 91 Ų | 91 | 105.9 Ų | 105.9 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.5 | -62.5 | 6.4 | 0 | 0 | 0 | 111.4 | K2 L9 | K2-N5 WeakPolarHBondContact O-CB 3.34Å; K2-N5 PolarHBondContact O-N 3.37Å; N5-L9 VanDerWaalsContact O-CB 3.25Å; N5-L9 WeakPolarHBondContact O-CB 3.27Å; N5-L9 PolarHBondContact O-N 2.96Å |
| 6 | V | 89.9 | Confident | 88.5 | Confident | 73 Ų | 73 | 107.2 Ų | 107.2 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.4 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | M1 K2 K3 Q4 L9 S10 | M1-V6 HydrophobicContact CB-CG2 3.75Å; K2-V6 PolarHBondContact O-N 3.47Å; K2-V6 VanDerWaalsContact O-N 3.14Å; K3-V6 PolarHBondContact O-N 3.18Å; Q4-V6 VanDerWaalsContact C-N 3.34Å; Q4-V6 PolarHBondContact O-N 3.47Å; V6-L9 PolarHBondContact O-N 2.99Å; V6-S10 VanDerWaalsContact O-CB 3.26Å; V6-S10 WeakPolarHBondContact O-CB 3.29Å; V6-S10 PolarHBondContact O-N 2.91Å |
| 7 | R | 86.7 | Confident | 89 | Confident | 89 Ų | 89 | 104.1 Ų | 104.1 | 34% | 0.336 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177 | 179.7 | -171 | 163.4 | 112.2 | 12.6 | 112.2 | K3 Q4 S10 L11 N250 | K3-R7 WeakPolarHBondContact O-CB 3.47Å; K3-R7 PolarHBondContact O-N 2.98Å; Q4-R7 PolarHBondContact O-N 2.94Å; R7-S10 PolarHBondContact O-N 2.89Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.94Å; R7-N250 PolarHBondContact NH1-OD1 3.19Å; R7-N250 PolarHBondContact NH2-ND2 3.37Å; R7-N250 PolarHBondContact NH2-OD1 3.36Å |
| 8 | T | 88.9 | Confident | 89.4 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 49% | 0.485 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | Q4 S10 L11 I12 | Q4-T8 PolarHBondContact O-N 3.12Å; Q4-T8 PolarHBondContact O-OG1 3.08Å; Q4-T8 VanDerWaalsContact O-OG1 3.08Å; T8-S10 VanDerWaalsContact C-N 3.31Å; T8-S10 PolarHBondContact O-N 3.04Å; T8-L11 PolarHBondContact O-N 3.1Å; T8-I12 HydrophobicContact CG2-CD1 4.04Å; T8-I12 WeakPolarHBondContact O-CG1 2.98Å; T8-I12 PolarHBondContact O-N 3.31Å |
| 9 | L | 92.9 | Very high | 89.9 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 176.8 | -170.2 | 117.6 | 0 | 0 | 0 | 111.6 | N5 V6 I12 L13 | N5-L9 VanDerWaalsContact O-CB 3.25Å; N5-L9 WeakPolarHBondContact O-CB 3.27Å; N5-L9 PolarHBondContact O-N 2.96Å; V6-L9 PolarHBondContact O-N 2.99Å; L9-I12 PolarHBondContact O-N 3.1Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.4Å |
| 10 | S | 92 | Very high | 90.3 | Very high | 71 Ų | 71 | 107.6 Ų | 107.6 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | V6 R7 T8 C14 | V6-S10 VanDerWaalsContact O-CB 3.26Å; V6-S10 WeakPolarHBondContact O-CB 3.29Å; V6-S10 PolarHBondContact O-N 2.91Å; R7-S10 PolarHBondContact O-N 2.89Å; T8-S10 VanDerWaalsContact C-N 3.31Å; T8-S10 PolarHBondContact O-N 3.04Å; S10-C14 VanDerWaalsContact O-CB 3.24Å; S10-C14 WeakPolarHBondContact O-CB 3.4Å; S10-C14 PolarHBondContact O-N 3.41Å |
| 11 | L | 90.6 | Very high | 90.7 | Very high | 88 Ų | 88 | 107 Ų | 107 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 175.5 | -73.8 | 172.1 | 0 | 0 | 0 | 111.5 | R7 T8 C14 M15 | R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.94Å; T8-L11 PolarHBondContact O-N 3.1Å; L11-C14 PolarHBondContact O-N 2.94Å; L11-M15 WeakPolarHBondContact O-CB 3.26Å; L11-M15 VanDerWaalsContact O-CG 3.31Å; L11-M15 WeakPolarHBondContact O-CG 3.41Å; L11-M15 PolarHBondContact O-N 3.08Å |
| 12 | I | 94.7 | Very high | 92.2 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 176.1 | -67.6 | 166.6 | 0 | 0 | 0 | 110.5 | T8 L9 C14 M15 F16 | T8-I12 HydrophobicContact CG2-CD1 4.04Å; T8-I12 WeakPolarHBondContact O-CG1 2.98Å; T8-I12 PolarHBondContact O-N 3.31Å; L9-I12 PolarHBondContact O-N 3.1Å; I12-C14 PolarHBondContact O-N 3.1Å; I12-M15 PolarHBondContact O-N 3.05Å; I12-F16 PolarHBondContact O-N 3.07Å |
| 13 | L | 96.4 | Very high | 92.9 | Very high | 115 Ų | 115 | 94.5 Ų | 94.5 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 178.4 | -173.7 | 70 | 0 | 0 | 0 | 111.4 | L9 F16 S17 | L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.4Å; L13-F16 PolarHBondContact O-N 2.87Å; L13-S17 WeakPolarHBondContact O-CB 3.36Å; L13-S17 PolarHBondContact O-N 3.4Å; L13-S17 PolarHBondContact O-OG 3.36Å |
| 14 | C | 96.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 91.6 Ų | 91.6 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 176 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | S10 L11 I12 F16 S17 Y18 | S10-C14 VanDerWaalsContact O-CB 3.24Å; S10-C14 WeakPolarHBondContact O-CB 3.4Å; S10-C14 PolarHBondContact O-N 3.41Å; L11-C14 PolarHBondContact O-N 2.94Å; I12-C14 PolarHBondContact O-N 3.1Å; C14-F16 PolarHBondContact O-N 2.94Å; C14-S17 WeakPolarHBondContact CA-OG 3.46Å; C14-S17 PolarHBondContact O-N 3.45Å; C14-S17 PolarHBondContact O-OG 3.32Å; C14-Y18 WeakPolarHBondContact O-CB 3.4Å; C14-Y18 PolarHBondContact O-N 3.43Å |
| 15 | M | 94.9 | Very high | 94.7 | Very high | 115 Ų | 115 | 90.1 Ų | 90.1 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -43.8 | 177 | -74.4 | -59.4 | -59.7 | 0 | 0 | 112.5 | L11 I12 Y18 L19 | L11-M15 WeakPolarHBondContact O-CB 3.26Å; L11-M15 VanDerWaalsContact O-CG 3.31Å; L11-M15 WeakPolarHBondContact O-CG 3.41Å; L11-M15 PolarHBondContact O-N 3.08Å; I12-M15 PolarHBondContact O-N 3.05Å; M15-Y18 PolarHBondContact O-N 2.65Å; M15-L19 WeakPolarHBondContact O-CG 3.47Å; M15-L19 PolarHBondContact O-N 3.05Å |
| 16 | F | 97.3 | Very high | 95.1 | Very high | 126 Ų | 126 | 92.4 Ų | 92.4 | 55% | 0.553 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 177.3 | -171 | -102.5 | 0 | 0 | 0 | 111.7 | I12 L13 C14 Y18 L19 L20 | I12-F16 PolarHBondContact O-N 3.07Å; L13-F16 PolarHBondContact O-N 2.87Å; C14-F16 PolarHBondContact O-N 2.94Å; F16-Y18 VanDerWaalsContact C-N 3.32Å; F16-Y18 PolarHBondContact O-N 3.2Å; F16-L19 PolarHBondContact O-N 3.01Å; F16-L20 HydrophobicContact CD1-CD1 3.84Å; F16-L20 HydrophobicContact CD1-CG 4.28Å; F16-L20 HydrophobicContact CE1-CD1 3.51Å; F16-L20 HydrophobicContact CE1-CD2 4.42Å; F16-L20 HydrophobicContact CE1-CG 4.01Å; F16-L20 HydrophobicContact CZ-CD1 4.28Å; F16-L20 HydrophobicContact CZ-CD2 4.4Å; F16-L20 HydrophobicContact CZ-CG 4.39Å; F16-L20 WeakPolarHBondContact O-CG 3.24Å; F16-L20 PolarHBondContact O-N 3.26Å |
| 17 | S | 97.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 93.9 Ų | 93.9 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.6 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | L13 C14 L19 L20 V21 | L13-S17 WeakPolarHBondContact O-CB 3.36Å; L13-S17 PolarHBondContact O-N 3.4Å; L13-S17 PolarHBondContact O-OG 3.36Å; C14-S17 WeakPolarHBondContact CA-OG 3.46Å; C14-S17 PolarHBondContact O-N 3.45Å; C14-S17 PolarHBondContact O-OG 3.32Å; S17-L19 PolarHBondContact O-N 3.44Å; S17-L20 PolarHBondContact O-N 2.94Å; S17-V21 WeakPolarHBondContact O-CG2 3.47Å; S17-V21 PolarHBondContact O-N 2.91Å |
| 18 | Y | 96.8 | Very high | 96 | Very high | 171 Ų | 171 | 93.4 Ų | 93.4 | 67% | 0.671 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | 176.2 | -175.6 | -96.5 | 0 | 0 | 0 | 111.7 | C14 M15 F16 G22 | C14-Y18 WeakPolarHBondContact O-CB 3.4Å; C14-Y18 PolarHBondContact O-N 3.43Å; M15-Y18 PolarHBondContact O-N 2.65Å; F16-Y18 VanDerWaalsContact C-N 3.32Å; F16-Y18 PolarHBondContact O-N 3.2Å; Y18-G22 PolarHBondContact O-N 3.47Å |
| 19 | L | 97.8 | Very high | 96.3 | Very high | 113 Ų | 113 | 95.2 Ų | 95.2 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 174.7 | -71.1 | 173.3 | 0 | 0 | 0 | 112.3 | M15 F16 S17 G22 A23 | M15-L19 WeakPolarHBondContact O-CG 3.47Å; M15-L19 PolarHBondContact O-N 3.05Å; F16-L19 PolarHBondContact O-N 3.01Å; S17-L19 PolarHBondContact O-N 3.44Å; L19-G22 PolarHBondContact O-N 3.41Å; L19-A23 WeakPolarHBondContact O-CB 3.34Å; L19-A23 PolarHBondContact O-N 3.11Å |
| 20 | L | 98 | Very high | 96.4 | Very high | 98 Ų | 98 | 94.9 Ų | 94.9 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.5 | -72.7 | 178.2 | 0 | 0 | 0 | 112.1 | F16 S17 G22 A23 A24 | F16-L20 HydrophobicContact CD1-CD1 3.84Å; F16-L20 HydrophobicContact CD1-CG 4.28Å; F16-L20 HydrophobicContact CE1-CD1 3.51Å; F16-L20 HydrophobicContact CE1-CD2 4.42Å; F16-L20 HydrophobicContact CE1-CG 4.01Å; F16-L20 HydrophobicContact CZ-CD1 4.28Å; F16-L20 HydrophobicContact CZ-CD2 4.4Å; F16-L20 HydrophobicContact CZ-CG 4.39Å; F16-L20 WeakPolarHBondContact O-CG 3.24Å; F16-L20 PolarHBondContact O-N 3.26Å; S17-L20 PolarHBondContact O-N 2.94Å; L20-G22 VanDerWaalsContact C-N 3.35Å; L20-A23 PolarHBondContact O-N 3.27Å; L20-A24 PolarHBondContact O-N 3.1Å |
| 21 | V | 98.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 93 Ų | 93 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | S17 A23 A24 V25 | S17-V21 WeakPolarHBondContact O-CG2 3.47Å; S17-V21 PolarHBondContact O-N 2.91Å; V21-A23 PolarHBondContact O-N 3.45Å; V21-A24 PolarHBondContact O-N 2.84Å; V21-V25 HydrophobicContact CG1-CG2 4.38Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.38Å; V21-V25 PolarHBondContact O-N 3.32Å |
| 22 | G | 97.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 96.3 Ų | 96.3 | 23% | 0.227 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y18 L19 L20 A24 V25 F26 | Y18-G22 PolarHBondContact O-N 3.47Å; L19-G22 PolarHBondContact O-N 3.41Å; L20-G22 VanDerWaalsContact C-N 3.35Å; G22-A24 PolarHBondContact O-N 3.46Å; G22-V25 PolarHBondContact O-N 3.14Å; G22-F26 WeakPolarHBondContact O-CD2 3.37Å; G22-F26 PolarHBondContact O-N 3.14Å |
| 23 | A | 97.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 94 Ų | 94 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 L20 V21 F26 D27 | L19-A23 WeakPolarHBondContact O-CB 3.34Å; L19-A23 PolarHBondContact O-N 3.11Å; L20-A23 PolarHBondContact O-N 3.27Å; V21-A23 PolarHBondContact O-N 3.45Å; A23-F26 PolarHBondContact O-N 2.92Å; A23-D27 VanDerWaalsContact O-CB 3.31Å; A23-D27 WeakPolarHBondContact O-CB 3.37Å; A23-D27 PolarHBondContact O-N 2.98Å |
| 24 | A | 98 | Very high | 96.4 | Very high | 60 Ų | 60 | 94 Ų | 94 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L20 V21 G22 A28 | L20-A24 PolarHBondContact O-N 3.1Å; V21-A24 PolarHBondContact O-N 2.84Å; G22-A24 PolarHBondContact O-N 3.46Å; A24-A28 WeakPolarHBondContact O-CB 3.47Å; A24-A28 PolarHBondContact O-N 2.95Å |
| 25 | V | 98.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 94.1 Ų | 94.1 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V21 G22 A28 L29 | V21-V25 HydrophobicContact CG1-CG2 4.38Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.38Å; V21-V25 PolarHBondContact O-N 3.32Å; G22-V25 PolarHBondContact O-N 3.14Å; V25-A28 PolarHBondContact O-N 3.35Å; V25-L29 HydrophobicContact CG1-CD1 3.69Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CB 3.32Å; V25-L29 VanDerWaalsContact O-CG 3.27Å; V25-L29 WeakPolarHBondContact O-CG 3.46Å; V25-L29 PolarHBondContact O-N 2.92Å |
| 26 | F | 97.4 | Very high | 96.2 | Very high | 140 Ų | 140 | 91.3 Ų | 91.3 | 61% | 0.614 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 177.6 | -74.7 | -57 | 0 | 0 | 0 | 112.5 | G22 A23 A28 L29 E30 | G22-F26 WeakPolarHBondContact O-CD2 3.37Å; G22-F26 PolarHBondContact O-N 3.14Å; A23-F26 PolarHBondContact O-N 2.92Å; F26-A28 VanDerWaalsContact C-N 3.35Å; F26-L29 PolarHBondContact O-N 3.5Å; F26-E30 WeakPolarHBondContact O-CB 3.43Å; F26-E30 PolarHBondContact O-N 3.3Å |
| 27 | D | 97.3 | Very high | 96 | Very high | 103 Ų | 103 | 92.6 Ų | 92.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 173.2 | -178.6 | 50.7 | 0 | 0 | 0 | 111.2 | A23 L29 S31 | A23-D27 VanDerWaalsContact O-CB 3.31Å; A23-D27 WeakPolarHBondContact O-CB 3.37Å; A23-D27 PolarHBondContact O-N 2.98Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 PolarHBondContact O-N 3.29Å; D27-S31 WeakPolarHBondContact CA-OG 3.38Å; D27-S31 WeakPolarHBondContact O-CB 3.38Å; D27-S31 PolarHBondContact O-N 2.72Å; D27-S31 VanDerWaalsContact O-N 3.13Å; D27-S31 PolarHBondContact O-OG 3.49Å; D27-S31 WeakPolarHBondContact OD1-CB 3.32Å; D27-S31 PolarHBondContact OD1-OG 3.39Å |
| 28 | A | 96.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 95 Ų | 95 | 66% | 0.661 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -33.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A24 V25 F26 | A24-A28 WeakPolarHBondContact O-CB 3.47Å; A24-A28 PolarHBondContact O-N 2.95Å; V25-A28 PolarHBondContact O-N 3.35Å; F26-A28 VanDerWaalsContact C-N 3.35Å |
| 29 | L | 95.6 | Very high | 95.5 | Very high | 117 Ų | 117 | 95.5 Ų | 95.5 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -87.5 | -36.8 | -176.6 | -67.7 | 175.1 | 0 | 0 | 0 | 113.4 | V25 F26 D27 | V25-L29 HydrophobicContact CG1-CD1 3.69Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CB 3.32Å; V25-L29 VanDerWaalsContact O-CG 3.27Å; V25-L29 WeakPolarHBondContact O-CG 3.46Å; V25-L29 PolarHBondContact O-N 2.92Å; F26-L29 PolarHBondContact O-N 3.5Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 PolarHBondContact O-N 3.29Å |
| 30 | E | 95.6 | Very high | 95.4 | Very high | 105 Ų | 105 | 94.5 Ų | 94.5 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -106.6 | -27.4 | -168.6 | -64 | -64.5 | 157.3 | 0 | 0 | 113.8 | F26 E32 S33 E34 | F26-E30 WeakPolarHBondContact O-CB 3.43Å; F26-E30 PolarHBondContact O-N 3.3Å; E30-E32 PolarHBondContact O-N 3.43Å; E30-S33 PolarHBondContact O-N 3.33Å; E30-E34 WeakPolarHBondContact O-CB 3.46Å; E30-E34 PolarHBondContact O-N 2.93Å |
| 31 | S | 94.5 | Very high | 95.1 | Very high | 32 Ų | 32 | 95 Ų | 95 | 22% | 0.224 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | -169.6 | -65.8 | 0 | 0 | 0 | 0 | 113.6 | D27 N35 | D27-S31 WeakPolarHBondContact CA-OG 3.38Å; D27-S31 WeakPolarHBondContact O-CB 3.38Å; D27-S31 PolarHBondContact O-N 2.72Å; D27-S31 VanDerWaalsContact O-N 3.13Å; D27-S31 PolarHBondContact O-OG 3.49Å; D27-S31 WeakPolarHBondContact OD1-CB 3.32Å; D27-S31 PolarHBondContact OD1-OG 3.39Å; S31-N35 WeakPolarHBondContact O-CB 3.45Å; S31-N35 VanDerWaalsContact O-CG 3.3Å; S31-N35 PolarHBondContact O-N 3.3Å; S31-N35 VanDerWaalsContact O-N 3.1Å; S31-N35 PolarHBondContact O-ND2 3.21Å |
| 32 | E | 93.9 | Very high | 94.8 | Very high | 156 Ų | 156 | 93.7 Ų | 93.7 | 73% | 0.729 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.2 | -41.6 | 176.7 | -169.5 | 179.1 | -178.5 | 0 | 0 | 111.8 | E30 N35 S36 | E30-E32 PolarHBondContact O-N 3.43Å; E32-N35 PolarHBondContact O-N 2.97Å; E32-S36 WeakPolarHBondContact O-CB 3.22Å; E32-S36 PolarHBondContact O-N 2.66Å; E32-S36 PolarHBondContact O-OG 3.35Å |
| 33 | S | 92.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 98.2 Ų | 98.2 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.2 | -180 | 0 | 0 | 0 | 0 | 111.5 | E30 S36 R37 | E30-S33 PolarHBondContact O-N 3.33Å; S33-S36 PolarHBondContact O-N 2.94Å; S33-R37 WeakPolarHBondContact O-CB 3.32Å; S33-R37 PolarHBondContact O-N 3.33Å |
| 34 | E | 92.8 | Very high | 94.4 | Very high | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 176 | -173 | -172.4 | -164.3 | 0 | 0 | 111.3 | E30 S36 R37 R38 | E30-E34 WeakPolarHBondContact O-CB 3.46Å; E30-E34 PolarHBondContact O-N 2.93Å; E34-S36 VanDerWaalsContact C-N 3.3Å; E34-S36 PolarHBondContact O-N 3.47Å; E34-R37 PolarHBondContact O-N 3.46Å; E34-R38 VanDerWaalsContact O-CB 3.29Å; E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 PolarHBondContact O-N 2.99Å |
| 35 | N | 93.6 | Very high | 93.9 | Very high | 78 Ų | 78 | 101.6 Ų | 101.6 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 179.2 | -79.2 | -47.7 | 0 | 0 | 0 | 112 | S31 E32 R38 R39 | S31-N35 WeakPolarHBondContact O-CB 3.45Å; S31-N35 VanDerWaalsContact O-CG 3.3Å; S31-N35 PolarHBondContact O-N 3.3Å; S31-N35 VanDerWaalsContact O-N 3.1Å; S31-N35 PolarHBondContact O-ND2 3.21Å; E32-N35 PolarHBondContact O-N 2.97Å; N35-R38 PolarHBondContact O-N 3.38Å; N35-R39 WeakPolarHBondContact O-CG 3.46Å; N35-R39 PolarHBondContact O-N 2.98Å |
| 36 | S | 93.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | E32 S33 E34 R38 R39 I40 | E32-S36 WeakPolarHBondContact O-CB 3.22Å; E32-S36 PolarHBondContact O-N 2.66Å; E32-S36 PolarHBondContact O-OG 3.35Å; S33-S36 PolarHBondContact O-N 2.94Å; E34-S36 VanDerWaalsContact C-N 3.3Å; E34-S36 PolarHBondContact O-N 3.47Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.87Å; S36-R39 PolarHBondContact O-N 2.89Å; S36-I40 WeakPolarHBondContact O-CG1 3.36Å; S36-I40 PolarHBondContact O-N 3.48Å; S36-I40 VanDerWaalsContact O-N 3.1Å |
| 37 | R | 92.3 | Very high | 93.3 | Very high | 153 Ų | 153 | 99.2 Ų | 99.2 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -38.7 | 177.8 | -175 | 158 | 55.8 | 127.9 | -2.2 | 112 | S33 E34 I40 L41 | S33-R37 WeakPolarHBondContact O-CB 3.32Å; S33-R37 PolarHBondContact O-N 3.33Å; E34-R37 PolarHBondContact O-N 3.46Å; R37-I40 PolarHBondContact O-N 2.92Å; R37-L41 HydrophobicContact CG-CD1 4.28Å; R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 3.4Å |
| 38 | R | 91 | Very high | 92.9 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 174.3 | 179.6 | 178.3 | 170.9 | -172.2 | 0.2 | 111.5 | E34 N35 S36 I40 L41 E42 Y370 | E34-R38 VanDerWaalsContact O-CB 3.29Å; E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 PolarHBondContact O-N 2.99Å; N35-R38 PolarHBondContact O-N 3.38Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.87Å; R38-I40 VanDerWaalsContact C-N 3.32Å; R38-I40 PolarHBondContact O-N 3.19Å; R38-L41 PolarHBondContact O-N 2.99Å; R38-E42 HydrophobicContact CG-CG 4.46Å; R38-E42 WeakPolarHBondContact CG-OE1 3.44Å; R38-E42 IonicContact CZ-OE1 3.97Å; R38-E42 IonicContact NE-OE1 3.42Å; R38-E42 PolarHBondContact NE-OE1 3.07Å; R38-E42 IonicContact NH2-OE1 3.55Å; R38-E42 PolarHBondContact NH2-OE1 3.38Å; R38-E42 WeakPolarHBondContact O-CB 3.44Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 3.23Å; R38-Y370 VanDerWaalsContact NH2-CE1 3.3Å; R38-Y370 PolarHBondContact NH2-OH 3.32Å |
| 39 | R | 94.3 | Very high | 92.6 | Very high | 181 Ų | 181 | 96 Ų | 96 | 68% | 0.683 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.3 | -42.7 | 177.1 | -71.1 | 175.9 | -169.3 | -165.9 | 5.2 | 111.9 | N35 S36 L41 E42 Q43 | N35-R39 WeakPolarHBondContact O-CG 3.46Å; N35-R39 PolarHBondContact O-N 2.98Å; S36-R39 PolarHBondContact O-N 2.89Å; R39-L41 PolarHBondContact O-N 3.47Å; R39-E42 PolarHBondContact O-N 2.94Å; R39-Q43 WeakPolarHBondContact O-CB 3.35Å; R39-Q43 PolarHBondContact O-N 3.31Å |
| 40 | I | 94.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 177.1 | -66.6 | 165 | 0 | 0 | 0 | 111.1 | S36 R37 R38 Q43 K44 | S36-I40 WeakPolarHBondContact O-CG1 3.36Å; S36-I40 PolarHBondContact O-N 3.48Å; S36-I40 VanDerWaalsContact O-N 3.1Å; R37-I40 PolarHBondContact O-N 2.92Å; R38-I40 VanDerWaalsContact C-N 3.32Å; R38-I40 PolarHBondContact O-N 3.19Å; I40-Q43 PolarHBondContact O-N 3.28Å; I40-K44 HydrophobicContact CG2-CD 4.33Å; I40-K44 WeakPolarHBondContact O-CB 3.41Å; I40-K44 WeakPolarHBondContact O-CG 3.33Å; I40-K44 PolarHBondContact O-N 3.19Å |
| 41 | L | 92.1 | Very high | 92.3 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 178.1 | -72.1 | 171.7 | 0 | 0 | 0 | 111.9 | R37 R38 R39 Q43 K44 R45 | R37-L41 HydrophobicContact CG-CD1 4.28Å; R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 3.4Å; R38-L41 PolarHBondContact O-N 2.99Å; R39-L41 PolarHBondContact O-N 3.47Å; L41-Q43 VanDerWaalsContact C-N 3.33Å; L41-Q43 PolarHBondContact O-N 2.94Å; L41-K44 PolarHBondContact O-N 3.32Å; L41-R45 VanDerWaalsContact O-CB 3.24Å; L41-R45 WeakPolarHBondContact O-CB 3.46Å; L41-R45 PolarHBondContact O-N 3.37Å |
| 42 | E | 91.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 107.1 Ų | 107.1 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.9 | -74.2 | 173.4 | -178 | 0 | 0 | 111.8 | R38 R39 S46 Y370 | R38-E42 HydrophobicContact CG-CG 4.46Å; R38-E42 WeakPolarHBondContact CG-OE1 3.44Å; R38-E42 IonicContact CZ-OE1 3.97Å; R38-E42 IonicContact NE-OE1 3.42Å; R38-E42 PolarHBondContact NE-OE1 3.07Å; R38-E42 IonicContact NH2-OE1 3.55Å; R38-E42 PolarHBondContact NH2-OE1 3.38Å; R38-E42 WeakPolarHBondContact O-CB 3.44Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 3.23Å; R39-E42 PolarHBondContact O-N 2.94Å; E42-S46 WeakPolarHBondContact O-CB 3.42Å; E42-S46 PolarHBondContact O-N 3.49Å; E42-S46 PolarHBondContact O-OG 3.16Å; E42-Y370 PolarHBondContact OE1-OH 3.13Å |
| 43 | Q | 94.3 | Very high | 91.9 | Very high | 117 Ų | 117 | 110.5 Ų | 110.5 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -51.6 | 174 | -173.2 | -178.4 | -20.7 | 0 | 0 | 111.4 | R39 I40 L41 R45 S46 E47 | R39-Q43 WeakPolarHBondContact O-CB 3.35Å; R39-Q43 PolarHBondContact O-N 3.31Å; I40-Q43 PolarHBondContact O-N 3.28Å; L41-Q43 VanDerWaalsContact C-N 3.33Å; L41-Q43 PolarHBondContact O-N 2.94Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-R45 PolarHBondContact O-N 3.39Å; Q43-S46 PolarHBondContact O-N 3.18Å; Q43-S46 VanDerWaalsContact O-N 3.09Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.25Å; Q43-E47 PolarHBondContact NE2-OE1 3.48Å; Q43-E47 WeakPolarHBondContact O-CG 3.41Å; Q43-E47 PolarHBondContact O-N 3.28Å |
| 44 | K | 91.9 | Very high | 91.8 | Very high | 121 Ų | 121 | 111.2 Ų | 111.2 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 177.3 | -76.8 | -177.4 | 177.9 | -178.6 | 0 | 112.1 | I40 L41 E47 M48 | I40-K44 HydrophobicContact CG2-CD 4.33Å; I40-K44 WeakPolarHBondContact O-CB 3.41Å; I40-K44 WeakPolarHBondContact O-CG 3.33Å; I40-K44 PolarHBondContact O-N 3.19Å; L41-K44 PolarHBondContact O-N 3.32Å; K44-E47 PolarHBondContact O-N 2.96Å; K44-M48 WeakPolarHBondContact O-CG 3.38Å; K44-M48 PolarHBondContact O-N 3.43Å |
| 45 | R | 88.1 | Confident | 91.6 | Very high | 70 Ų | 70 | 108.3 Ų | 108.3 | 26% | 0.264 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 174.1 | 174.5 | 175.3 | -172.4 | -160.3 | 2.6 | 111.1 | L41 Q43 M48 K49 E56 Y59 | L41-R45 VanDerWaalsContact O-CB 3.24Å; L41-R45 WeakPolarHBondContact O-CB 3.46Å; L41-R45 PolarHBondContact O-N 3.37Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-R45 PolarHBondContact O-N 3.39Å; R45-M48 PolarHBondContact O-N 3.45Å; R45-K49 HydrophobicContact CG-CD 4.35Å; R45-K49 WeakPolarHBondContact O-CG 3.43Å; R45-K49 PolarHBondContact O-N 2.91Å; R45-E56 IonicContact NH2-OE2 3.92Å; R45-Y59 HydrophobicContact CG-CE1 4.13Å; R45-Y59 HydrophobicContact CG-CE2 3.91Å; R45-Y59 WeakPolarHBondContact CG-OH 3.49Å |
| 46 | S | 89.6 | Confident | 91.3 | Very high | 74 Ų | 74 | 109 Ų | 109 | 52% | 0.517 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | -179.4 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E42 Q43 K49 R50 | E42-S46 WeakPolarHBondContact O-CB 3.42Å; E42-S46 PolarHBondContact O-N 3.49Å; E42-S46 PolarHBondContact O-OG 3.16Å; Q43-S46 PolarHBondContact O-N 3.18Å; Q43-S46 VanDerWaalsContact O-N 3.09Å; S46-K49 PolarHBondContact O-N 3.39Å; S46-R50 WeakPolarHBondContact O-CB 3.08Å; S46-R50 PolarHBondContact O-N 2.84Å |
| 47 | E | 93.1 | Very high | 91.1 | Very high | 89 Ų | 89 | 111.1 Ų | 111.1 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.8 | -73.6 | 174 | -171.4 | 0 | 0 | 112 | Q43 K44 R50 K51 | Q43-E47 WeakPolarHBondContact CG-OE1 3.25Å; Q43-E47 PolarHBondContact NE2-OE1 3.48Å; Q43-E47 WeakPolarHBondContact O-CG 3.41Å; Q43-E47 PolarHBondContact O-N 3.28Å; K44-E47 PolarHBondContact O-N 2.96Å; E47-R50 PolarHBondContact O-N 2.93Å; E47-K51 VanDerWaalsContact O-CB 3.24Å; E47-K51 WeakPolarHBondContact O-CB 3.47Å; E47-K51 PolarHBondContact O-N 2.89Å |
| 48 | M | 89.8 | Confident | 90.8 | Very high | 85 Ų | 85 | 107.8 Ų | 107.8 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 176.6 | -73.5 | -172.3 | -66.3 | 0 | 0 | 112 | K44 R45 R50 K51 Y52 | K44-M48 WeakPolarHBondContact O-CG 3.38Å; K44-M48 PolarHBondContact O-N 3.43Å; R45-M48 PolarHBondContact O-N 3.45Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.14Å; M48-K51 PolarHBondContact O-N 3.34Å; M48-Y52 WeakPolarHBondContact O-CD2 3.31Å; M48-Y52 PolarHBondContact O-N 3.28Å |
| 49 | K | 89.3 | Confident | 90.7 | Very high | 31 Ų | 31 | 104.5 Ų | 104.5 | 14% | 0.135 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 176.2 | -77.9 | 177.3 | 172.4 | -178.8 | 0 | 111.6 | R45 S46 R53 F54 E56 Y59 | R45-K49 HydrophobicContact CG-CD 4.35Å; R45-K49 WeakPolarHBondContact O-CG 3.43Å; R45-K49 PolarHBondContact O-N 2.91Å; S46-K49 PolarHBondContact O-N 3.39Å; K49-R53 WeakPolarHBondContact O-CA 3.31Å; K49-R53 PolarHBondContact O-N 2.94Å; K49-F54 PolarHBondContact O-N 3.42Å; K49-E56 WeakPolarHBondContact CE-OE1 3.09Å; K49-E56 IonicContact NZ-OE1 3.75Å; K49-E56 PolarHBondContact NZ-OE1 2.91Å; K49-E56 IonicContact NZ-OE2 2.71Å; K49-E56 PolarHBondContact NZ-OE2 2.93Å; K49-Y59 HydrophobicContact CG-CD2 3.93Å; K49-Y59 HydrophobicContact CG-CG 4.4Å |
| 50 | R | 90.7 | Very high | 90.4 | Very high | 203 Ų | 203 | 102 Ų | 102 | 77% | 0.766 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 178.4 | -172.3 | 178.5 | 65.7 | 167.2 | -1.1 | 112.5 | S46 E47 M48 | S46-R50 WeakPolarHBondContact O-CB 3.08Å; S46-R50 PolarHBondContact O-N 2.84Å; E47-R50 PolarHBondContact O-N 2.93Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.14Å |
| 51 | K | 93.6 | Very high | 90.1 | Very high | 152 Ų | 152 | 102 Ų | 102 | 66% | 0.661 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | -176.5 | -175.9 | 177.5 | 179.5 | -173.3 | 0 | 112.3 | E47 M48 | E47-K51 VanDerWaalsContact O-CB 3.24Å; E47-K51 WeakPolarHBondContact O-CB 3.47Å; E47-K51 PolarHBondContact O-N 2.89Å; M48-K51 PolarHBondContact O-N 3.34Å |
| 52 | Y | 91.1 | Very high | 90 | Very high | 132 Ų | 132 | 100.3 Ų | 100.3 | 52% | 0.518 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -102.3 | -0.1 | -176.2 | -61.3 | -74.2 | 0 | 0 | 0 | 113.7 | M48 F54 | M48-Y52 WeakPolarHBondContact O-CD2 3.31Å; M48-Y52 PolarHBondContact O-N 3.28Å; Y52-F54 VanDerWaalsContact C-N 3.27Å; Y52-F54 HydrophobicContact CD2-CE2 4.37Å; Y52-F54 HydrophobicContact CG-CE2 4.33Å; Y52-F54 PolarHBondContact O-N 3.27Å |
| 53 | R | 90.3 | Very high | 89.8 | Confident | 228 Ų | 228 | 101 Ų | 101 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.7 | -178.8 | -57.8 | -177.8 | 177.1 | 172.6 | -1.3 | 113.2 | K49 | K49-R53 WeakPolarHBondContact O-CA 3.31Å; K49-R53 PolarHBondContact O-N 2.94Å |
| 54 | F | 89.6 | Confident | 89.6 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | trans | -67.9 | 136.7 | 173.2 | -69.1 | -45.5 | 0 | 0 | 0 | 110.7 | K49 Y52 D58 I62 | K49-F54 PolarHBondContact O-N 3.42Å; Y52-F54 VanDerWaalsContact C-N 3.27Å; Y52-F54 HydrophobicContact CD2-CE2 4.37Å; Y52-F54 HydrophobicContact CG-CE2 4.33Å; Y52-F54 PolarHBondContact O-N 3.27Å; F54-D58 HydrophobicContact CB-CB 4.44Å; F54-D58 HydrophobicContact CD1-CB 4.25Å; F54-I62 HydrophobicContact CD1-CD1 4.11Å; F54-I62 HydrophobicContact CD2-CD1 4.46Å; F54-I62 HydrophobicContact CE1-CD1 3.61Å; F54-I62 HydrophobicContact CE2-CD1 3.99Å; F54-I62 HydrophobicContact CZ-CD1 3.54Å | ||
| 55 | S | 89.4 | Confident | 89.5 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | trans | -72.8 | 167.6 | 162.8 | 79.8 | 0 | 0 | 0 | 0 | 110.5 | D57 D58 Y59 | S55-D57 PolarHBondContact O-N 2.55Å; S55-D57 PolarHBondContact OG-N 3.37Å; S55-D58 VanDerWaalsContact CB-OD2 3.25Å; S55-D58 WeakPolarHBondContact CB-OD2 3.47Å; S55-D58 PolarHBondContact N-OD2 3.44Å; S55-D58 VanDerWaalsContact N-OD2 3.08Å; S55-D58 PolarHBondContact O-N 3.37Å; S55-D58 PolarHBondContact OG-N 3.42Å; S55-D58 PolarHBondContact OG-OD2 3.02Å; S55-Y59 PolarHBondContact O-N 2.86Å; S55-Y59 VanDerWaalsContact O-N 3.09Å | ||
| 56 | E | 87.6 | Confident | 89.4 | Confident | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 174.6 | -73.8 | -58.3 | 143.7 | 0 | 0 | 112.6 | R45 K49 R60 | R45-E56 IonicContact NH2-OE2 3.92Å; K49-E56 WeakPolarHBondContact CE-OE1 3.09Å; K49-E56 IonicContact NZ-OE1 3.75Å; K49-E56 PolarHBondContact NZ-OE1 2.91Å; K49-E56 IonicContact NZ-OE2 2.71Å; K49-E56 PolarHBondContact NZ-OE2 2.93Å; E56-R60 WeakPolarHBondContact O-CB 3.36Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 3.36Å; E56-R60 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 87.8 | Confident | 89.2 | Confident | 103 Ų | 103 | 100.8 Ų | 100.8 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.3 | -40.8 | -179.8 | -66.4 | -35 | 0 | 0 | 0 | 111.7 | S55 Y59 R60 E61 | S55-D57 PolarHBondContact O-N 2.55Å; S55-D57 PolarHBondContact OG-N 3.37Å; D57-Y59 VanDerWaalsContact C-N 3.32Å; D57-Y59 PolarHBondContact O-N 3.32Å; D57-R60 PolarHBondContact O-N 2.9Å; D57-R60 IonicContact OD1-CZ 2.72Å; D57-R60 IonicContact OD1-NE 3.47Å; D57-R60 PolarHBondContact OD1-NE 3.02Å; D57-R60 IonicContact OD1-NH2 2.62Å; D57-R60 PolarHBondContact OD1-NH2 2.97Å; D57-E61 PolarHBondContact O-N 3Å |
| 58 | D | 87.5 | Confident | 88.7 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.1 | -56.4 | -47.4 | 0 | 0 | 0 | 111.1 | F54 S55 E61 I62 | F54-D58 HydrophobicContact CB-CB 4.44Å; F54-D58 HydrophobicContact CD1-CB 4.25Å; S55-D58 VanDerWaalsContact CB-OD2 3.25Å; S55-D58 WeakPolarHBondContact CB-OD2 3.47Å; S55-D58 PolarHBondContact N-OD2 3.44Å; S55-D58 VanDerWaalsContact N-OD2 3.08Å; S55-D58 PolarHBondContact O-N 3.37Å; S55-D58 PolarHBondContact OG-N 3.42Å; S55-D58 PolarHBondContact OG-OD2 3.02Å; D58-E61 PolarHBondContact O-N 3.25Å; D58-I62 VanDerWaalsContact O-CG1 3.31Å; D58-I62 WeakPolarHBondContact O-CG1 3.32Å; D58-I62 PolarHBondContact O-N 3.28Å |
| 59 | Y | 87.3 | Confident | 88.2 | Confident | 38 Ų | 38 | 100.3 Ų | 100.3 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 177.4 | -173.6 | -84.3 | 0 | 0 | 0 | 111.4 | R45 K49 S55 D57 E61 I62 E63 | R45-Y59 HydrophobicContact CG-CE1 4.13Å; R45-Y59 HydrophobicContact CG-CE2 3.91Å; R45-Y59 WeakPolarHBondContact CG-OH 3.49Å; K49-Y59 HydrophobicContact CG-CD2 3.93Å; K49-Y59 HydrophobicContact CG-CG 4.4Å; S55-Y59 PolarHBondContact O-N 2.86Å; S55-Y59 VanDerWaalsContact O-N 3.09Å; D57-Y59 VanDerWaalsContact C-N 3.32Å; D57-Y59 PolarHBondContact O-N 3.32Å; Y59-E61 VanDerWaalsContact C-N 3.32Å; Y59-E61 PolarHBondContact O-N 3.42Å; Y59-I62 PolarHBondContact O-N 2.95Å; Y59-E63 HydrophobicContact CE1-CB 4.36Å; Y59-E63 VanDerWaalsContact O-CB 3.3Å; Y59-E63 WeakPolarHBondContact O-CB 3.46Å; Y59-E63 PolarHBondContact O-N 3.33Å |
| 60 | R | 88.1 | Confident | 87.6 | Confident | 129 Ų | 129 | 103.4 Ų | 103.4 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.5 | -82.6 | -171.4 | -82 | -129.4 | 3.1 | 112.2 | E56 D57 R64 | E56-R60 WeakPolarHBondContact O-CB 3.36Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 3.36Å; E56-R60 VanDerWaalsContact O-N 3.09Å; D57-R60 PolarHBondContact O-N 2.9Å; D57-R60 IonicContact OD1-CZ 2.72Å; D57-R60 IonicContact OD1-NE 3.47Å; D57-R60 PolarHBondContact OD1-NE 3.02Å; D57-R60 IonicContact OD1-NH2 2.62Å; D57-R60 PolarHBondContact OD1-NH2 2.97Å; R60-R64 WeakPolarHBondContact O-CB 3.29Å; R60-R64 PolarHBondContact O-N 2.85Å |
| 61 | E | 89.6 | Confident | 86.6 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 176.9 | -164 | 61.4 | -138 | 0 | 0 | 111.1 | D57 D58 Y59 E63 R64 V65 | D57-E61 PolarHBondContact O-N 3Å; D58-E61 PolarHBondContact O-N 3.25Å; Y59-E61 VanDerWaalsContact C-N 3.32Å; Y59-E61 PolarHBondContact O-N 3.42Å; E61-E63 VanDerWaalsContact C-N 3.33Å; E61-E63 PolarHBondContact O-N 3.35Å; E61-R64 WeakPolarHBondContact O-CB 3.5Å; E61-R64 PolarHBondContact O-N 2.99Å; E61-R64 IonicContact OE1-CZ 3.02Å; E61-R64 IonicContact OE1-NH1 3.15Å; E61-R64 PolarHBondContact OE1-NH1 2.94Å; E61-R64 IonicContact OE2-CZ 2.63Å; E61-R64 IonicContact OE2-NH1 4Å; E61-R64 PolarHBondContact OE2-NH1 3.08Å; E61-R64 IonicContact OE2-NH2 3.43Å; E61-V65 WeakPolarHBondContact O-CG2 3.46Å; E61-V65 PolarHBondContact O-N 3.22Å |
| 62 | I | 89.3 | Confident | 85.6 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 176 | -68.8 | 167.4 | 0 | 0 | 0 | 110.7 | F54 D58 Y59 R64 V65 V66 | F54-I62 HydrophobicContact CD1-CD1 4.11Å; F54-I62 HydrophobicContact CD2-CD1 4.46Å; F54-I62 HydrophobicContact CE1-CD1 3.61Å; F54-I62 HydrophobicContact CE2-CD1 3.99Å; F54-I62 HydrophobicContact CZ-CD1 3.54Å; D58-I62 VanDerWaalsContact O-CG1 3.31Å; D58-I62 WeakPolarHBondContact O-CG1 3.32Å; D58-I62 PolarHBondContact O-N 3.28Å; Y59-I62 PolarHBondContact O-N 2.95Å; I62-R64 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.13Å; I62-V65 PolarHBondContact O-N 2.92Å; I62-V66 HydrophobicContact CG2-CG2 4.23Å; I62-V66 WeakPolarHBondContact O-CB 3.35Å; I62-V66 VanDerWaalsContact O-CG2 3.27Å; I62-V66 WeakPolarHBondContact O-CG2 3.33Å; I62-V66 PolarHBondContact O-N 2.78Å |
| 63 | E | 88.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 38% | 0.383 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 176.9 | -178.1 | 167.9 | -140.9 | 0 | 0 | 111.2 | Y59 E61 V65 V66 L67 | Y59-E63 HydrophobicContact CE1-CB 4.36Å; Y59-E63 VanDerWaalsContact O-CB 3.3Å; Y59-E63 WeakPolarHBondContact O-CB 3.46Å; Y59-E63 PolarHBondContact O-N 3.33Å; E61-E63 VanDerWaalsContact C-N 3.33Å; E61-E63 PolarHBondContact O-N 3.35Å; E63-V65 PolarHBondContact O-N 3.34Å; E63-V66 PolarHBondContact O-N 3.04Å; E63-L67 HydrophobicContact CG-CD1 4.11Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 VanDerWaalsContact O-CG 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 2.94Å |
| 64 | R | 88.8 | Confident | 83.1 | Confident | 124 Ų | 124 | 87.1 Ų | 87.1 | 47% | 0.468 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 175.6 | -170.8 | -169.5 | -62 | 140.1 | 5.1 | 112 | R60 E61 I62 V66 L67 Q68 | R60-R64 WeakPolarHBondContact O-CB 3.29Å; R60-R64 PolarHBondContact O-N 2.85Å; E61-R64 WeakPolarHBondContact O-CB 3.5Å; E61-R64 PolarHBondContact O-N 2.99Å; E61-R64 IonicContact OE1-CZ 3.02Å; E61-R64 IonicContact OE1-NH1 3.15Å; E61-R64 PolarHBondContact OE1-NH1 2.94Å; E61-R64 IonicContact OE2-CZ 2.63Å; E61-R64 IonicContact OE2-NH1 4Å; E61-R64 PolarHBondContact OE2-NH1 3.08Å; E61-R64 IonicContact OE2-NH2 3.43Å; I62-R64 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.13Å; R64-V66 VanDerWaalsContact C-N 3.35Å; R64-V66 PolarHBondContact O-N 3.37Å; R64-L67 PolarHBondContact O-N 3.49Å; R64-Q68 WeakPolarHBondContact O-CG 3.43Å; R64-Q68 PolarHBondContact O-N 2.89Å |
| 65 | V | 89.4 | Confident | 82.2 | Confident | 81 Ų | 81 | 85 Ų | 85 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | E61 I62 E63 Q68 A69 | E61-V65 WeakPolarHBondContact O-CG2 3.46Å; E61-V65 PolarHBondContact O-N 3.22Å; I62-V65 PolarHBondContact O-N 2.92Å; E63-V65 PolarHBondContact O-N 3.34Å; V65-Q68 PolarHBondContact O-N 3.31Å; V65-A69 VanDerWaalsContact O-CB 3.23Å; V65-A69 WeakPolarHBondContact O-CB 3.37Å; V65-A69 PolarHBondContact O-N 3.46Å |
| 66 | V | 87.7 | Confident | 81.4 | Confident | 62 Ų | 62 | 91 Ų | 91 | 38% | 0.376 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I62 E63 R64 Q68 A69 E70 | I62-V66 HydrophobicContact CG2-CG2 4.23Å; I62-V66 WeakPolarHBondContact O-CB 3.35Å; I62-V66 VanDerWaalsContact O-CG2 3.27Å; I62-V66 WeakPolarHBondContact O-CG2 3.33Å; I62-V66 PolarHBondContact O-N 2.78Å; E63-V66 PolarHBondContact O-N 3.04Å; R64-V66 VanDerWaalsContact C-N 3.35Å; R64-V66 PolarHBondContact O-N 3.37Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 2.97Å; V66-A69 PolarHBondContact O-N 2.87Å; V66-A69 VanDerWaalsContact O-N 3.16Å; V66-E70 PolarHBondContact O-N 3.32Å |
| 67 | L | 84.8 | Confident | 80.8 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 178.9 | -70.1 | 171.8 | 0 | 0 | 0 | 112.6 | E63 R64 | E63-L67 HydrophobicContact CG-CD1 4.11Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 VanDerWaalsContact O-CG 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 2.94Å; R64-L67 PolarHBondContact O-N 3.49Å |
| 68 | Q | 82.6 | Confident | 80.6 | Confident | 126 Ų | 126 | 88.4 Ų | 88.4 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -74.8 | -27.7 | 175.9 | -70.5 | 179.8 | -0.1 | 0 | 0 | 113.1 | R64 V65 V66 H72 | R64-Q68 WeakPolarHBondContact O-CG 3.43Å; R64-Q68 PolarHBondContact O-N 2.89Å; V65-Q68 PolarHBondContact O-N 3.31Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 2.97Å; Q68-H72 PolarHBondContact O-ND1 2.82Å |
| 69 | A | 80.1 | Confident | 80.5 | Confident | 39 Ų | 39 | 88.4 Ų | 88.4 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -80.3 | -25.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V65 V66 H72 R73 | V65-A69 VanDerWaalsContact O-CB 3.23Å; V65-A69 WeakPolarHBondContact O-CB 3.37Å; V65-A69 PolarHBondContact O-N 3.46Å; V66-A69 PolarHBondContact O-N 2.87Å; V66-A69 VanDerWaalsContact O-N 3.16Å; A69-H72 WeakPolarHBondContact O-CA 3.41Å; A69-H72 WeakPolarHBondContact O-CB 3.3Å; A69-H72 PolarHBondContact O-N 3.34Å; A69-R73 PolarHBondContact O-N 3.47Å |
| 70 | E | 76.9 | Confident | 80.5 | Confident | 95 Ų | 95 | 95 Ų | 95 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -48.9 | -52.1 | -178.2 | -86.9 | -60.5 | 134.5 | 0 | 0 | 114 | V66 H72 R73 | V66-E70 PolarHBondContact O-N 3.32Å; E70-H72 PolarHBondContact O-N 2.85Å; E70-H72 VanDerWaalsContact O-N 3.07Å; E70-R73 WeakPolarHBondContact O-CB 3.47Å; E70-R73 PolarHBondContact O-N 3.36Å; E70-R73 IonicContact OE1-CZ 2.68Å; E70-R73 IonicContact OE1-NH1 3.37Å; E70-R73 PolarHBondContact OE1-NH1 2.93Å |
| 71 | P | 69.3 | Low | 80.4 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 41% | 0.409 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.3 | -24.3 | 179.4 | -23.1 | 33.9 | 0 | 0 | 0 | 114 | ||
| 72 | H | 72 | Confident | 80.3 | Confident | 143 Ų | 143 | 86.2 Ų | 86.2 | 66% | 0.662 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -86.2 | -14.5 | -179.8 | -56.5 | 88.5 | 0 | 0 | 0 | 112.1 | Q68 A69 E70 A74 G75 | Q68-H72 PolarHBondContact O-ND1 2.82Å; A69-H72 WeakPolarHBondContact O-CA 3.41Å; A69-H72 WeakPolarHBondContact O-CB 3.3Å; A69-H72 PolarHBondContact O-N 3.34Å; E70-H72 PolarHBondContact O-N 2.85Å; E70-H72 VanDerWaalsContact O-N 3.07Å; H72-A74 VanDerWaalsContact C-N 3.31Å; H72-A74 PolarHBondContact O-N 3.01Å; H72-G75 PolarHBondContact O-N 2.8Å; H72-G75 VanDerWaalsContact O-N 3.17Å |
| 73 | R | 65.3 | Low | 80.4 | Confident | 144 Ų | 144 | 84.9 Ų | 84.9 | 54% | 0.543 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.8 | -30.8 | 179 | -77.9 | -170.2 | 147.5 | 132.7 | 2.1 | 113.5 | A69 E70 G75 | A69-R73 PolarHBondContact O-N 3.47Å; E70-R73 WeakPolarHBondContact O-CB 3.47Å; E70-R73 PolarHBondContact O-N 3.36Å; E70-R73 IonicContact OE1-CZ 2.68Å; E70-R73 IonicContact OE1-NH1 3.37Å; E70-R73 PolarHBondContact OE1-NH1 2.93Å; R73-G75 PolarHBondContact O-N 3.02Å |
| 74 | A | 64.2 | Low | 80.6 | Confident | 23 Ų | 23 | 85.5 Ų | 85.5 | 19% | 0.19 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H72 Q77 Q209 | H72-A74 VanDerWaalsContact C-N 3.31Å; H72-A74 PolarHBondContact O-N 3.01Å; A74-Q77 PolarHBondContact O-NE2 3.34Å; A74-Q209 HydrophobicContact CB-CB 4.4Å |
| 75 | G | 70.3 | Confident | 80.7 | Confident | 33 Ų | 33 | 79.7 Ų | 79.7 | 34% | 0.34 | 40% | 0.397 | S | S | . | . | trans | 93.6 | -165.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H72 R73 Q77 | H72-G75 PolarHBondContact O-N 2.8Å; H72-G75 VanDerWaalsContact O-N 3.17Å; R73-G75 PolarHBondContact O-N 3.02Å; G75-Q77 PolarHBondContact O-N 2.94Å | ||
| 76 | R | 72.1 | Confident | 80.9 | Confident | 179 Ų | 179 | 77.4 Ų | 77.4 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | trans | -75.1 | 92.8 | -178.1 | -69.7 | 179.5 | 64.6 | 139 | 1.1 | 111.1 | ||||
| 77 | Q | 75.4 | Confident | 81.3 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | trans | -66.8 | -31.9 | 179.3 | -59.8 | -60.6 | -36.1 | 0 | 0 | 113.8 | A74 G75 K79 G82 A99 | A74-Q77 PolarHBondContact O-NE2 3.34Å; G75-Q77 PolarHBondContact O-N 2.94Å; Q77-K79 PolarHBondContact O-N 3.44Å; Q77-G82 CarbonylContact O-C 3.59Å; Q77-G82 VanDerWaalsContact O-CA 3.31Å; Q77-G82 WeakPolarHBondContact O-CA 3.43Å; Q77-A99 HydrophobicContact CB-CB 4.43Å | ||
| 78 | W | 83.6 | Confident | 81.7 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | trans | -95.6 | 57.6 | -175 | -63.1 | 106.4 | 0 | 0 | 0 | 113.6 | F86 | W78-F86 HydrophobicContact CH2-CB 4.4Å; W78-F86 AromaticContact CH2-CD1 3.75Å; W78-F86 HydrophobicContact CH2-CD1 3.75Å; W78-F86 HydrophobicContact CH2-CD2 4Å; W78-F86 AromaticContact CH2-CE1 3.98Å; W78-F86 HydrophobicContact CH2-CE1 3.98Å; W78-F86 HydrophobicContact CH2-CE2 4.23Å; W78-F86 AromaticContact CH2-CG 3.76Å; W78-F86 HydrophobicContact CH2-CG 3.76Å; W78-F86 HydrophobicContact CH2-CZ 4.23Å; W78-F86 HydrophobicContact CZ3-CB 4.29Å; W78-F86 AromaticContact CZ3-CD1 3.85Å; W78-F86 HydrophobicContact CZ3-CD1 3.85Å; W78-F86 HydrophobicContact CZ3-CE1 4.39Å; W78-F86 HydrophobicContact CZ3-CG 4.01Å | ||
| 79 | K | 86.1 | Confident | 82.3 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -108.8 | 170.1 | 160.9 | -70.2 | -165.8 | -179.9 | -178.2 | 0 | 109.1 | Q77 A81 G82 S83 Q215 | Q77-K79 PolarHBondContact O-N 3.44Å; K79-A81 VanDerWaalsContact C-N 3.3Å; K79-A81 PolarHBondContact O-N 3.01Å; K79-A81 VanDerWaalsContact O-N 3.13Å; K79-G82 PolarHBondContact O-N 3.49Å; K79-S83 PolarHBondContact O-N 3Å; K79-S83 PolarHBondContact O-OG 2.82Å; K79-Q215 HydrophobicContact CD-CG 4.29Å; K79-Q215 VanDerWaalsContact CE-NE2 3.28Å |
| 80 | F | 86.4 | Confident | 83.1 | Confident | 176 Ų | 176 | 63.9 Ų | 63.9 | 77% | 0.772 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -47.9 | -47.5 | -175.5 | -177.3 | -98 | 0 | 0 | 0 | 113.9 | S83 F84 | F80-S83 PolarHBondContact O-N 3.27Å; F80-F84 VanDerWaalsContact O-CB 3.26Å; F80-F84 WeakPolarHBondContact O-CB 3.49Å; F80-F84 PolarHBondContact O-N 2.76Å |
| 81 | A | 85.7 | Confident | 84 | Confident | 30 Ų | 30 | 61 Ų | 61 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K79 F84 Y85 V221 | K79-A81 VanDerWaalsContact C-N 3.3Å; K79-A81 PolarHBondContact O-N 3.01Å; K79-A81 VanDerWaalsContact O-N 3.13Å; A81-F84 PolarHBondContact O-N 3.17Å; A81-Y85 PolarHBondContact O-N 2.97Å; A81-V221 HydrophobicContact CB-CG1 4.42Å |
| 82 | G | 87.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.2 | -36.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q77 K79 F84 Y85 F86 | Q77-G82 CarbonylContact O-C 3.59Å; Q77-G82 VanDerWaalsContact O-CA 3.31Å; Q77-G82 WeakPolarHBondContact O-CA 3.43Å; K79-G82 PolarHBondContact O-N 3.49Å; G82-F84 VanDerWaalsContact C-N 3.32Å; G82-F84 PolarHBondContact O-N 2.83Å; G82-Y85 PolarHBondContact O-N 3.46Å; G82-F86 WeakPolarHBondContact O-CB 3.48Å; G82-F86 PolarHBondContact O-N 3.13Å |
| 83 | S | 91.9 | Very high | 86.4 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 171.5 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | K79 F80 A87 | K79-S83 PolarHBondContact O-N 3Å; K79-S83 PolarHBondContact O-OG 2.82Å; F80-S83 PolarHBondContact O-N 3.27Å; S83-A87 WeakPolarHBondContact O-CB 3.49Å; S83-A87 PolarHBondContact O-N 3.11Å |
| 84 | F | 91.4 | Very high | 87.9 | Confident | 94 Ų | 94 | 48 Ų | 48 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.4 | -41.6 | 175.3 | -172.5 | -99.4 | 0 | 0 | 0 | 111.5 | F80 A81 G82 A87 I88 F225 | F80-F84 VanDerWaalsContact O-CB 3.26Å; F80-F84 WeakPolarHBondContact O-CB 3.49Å; F80-F84 PolarHBondContact O-N 2.76Å; A81-F84 PolarHBondContact O-N 3.17Å; G82-F84 VanDerWaalsContact C-N 3.32Å; G82-F84 PolarHBondContact O-N 2.83Å; F84-A87 WeakPolarHBondContact O-CB 3.4Å; F84-A87 PolarHBondContact O-N 3Å; F84-I88 HydrophobicContact CD1-CD1 3.75Å; F84-I88 HydrophobicContact CD1-CG1 4.38Å; F84-I88 HydrophobicContact CE1-CD1 3.49Å; F84-I88 VanDerWaalsContact CE1-CD1 3.49Å; F84-I88 HydrophobicContact CE1-CG1 4.18Å; F84-I88 HydrophobicContact CZ-CD1 4.29Å; F84-I88 WeakPolarHBondContact O-CG1 3.28Å; F84-I88 PolarHBondContact O-N 2.97Å; F84-F225 AromaticContact CD1-CD2 3.66Å; F84-F225 HydrophobicContact CD1-CD2 3.66Å; F84-F225 AromaticContact CD1-CE2 3.48Å; F84-F225 HydrophobicContact CD1-CE2 3.48Å; F84-F225 VanDerWaalsContact CD1-CE2 3.48Å; F84-F225 HydrophobicContact CD1-CG 4.41Å; F84-F225 HydrophobicContact CD1-CZ 4.13Å; F84-F225 AromaticContact CE1-CD2 3.73Å; F84-F225 HydrophobicContact CE1-CD2 3.73Å; F84-F225 HydrophobicContact CE1-CE2 4.06Å; F84-F225 HydrophobicContact CE1-CG 4.35Å |
| 85 | Y | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 172.5 | -175 | -134.7 | 0 | 0 | 0 | 111.5 | A81 G82 A87 I88 T89 Y96 H98 V206 F225 I228 | A81-Y85 PolarHBondContact O-N 2.97Å; G82-Y85 PolarHBondContact O-N 3.46Å; Y85-A87 VanDerWaalsContact C-N 3.34Å; Y85-A87 PolarHBondContact O-N 3.42Å; Y85-I88 WeakPolarHBondContact O-CB 3.48Å; Y85-I88 PolarHBondContact O-N 3.34Å; Y85-T89 HydrophobicContact CD2-CG2 4.39Å; Y85-T89 HydrophobicContact CE2-CG2 4.24Å; Y85-T89 WeakPolarHBondContact O-CG2 3.48Å; Y85-T89 PolarHBondContact O-N 3.38Å; Y85-Y96 HydrophobicContact CE2-CE2 4.31Å; Y85-Y96 AromaticContact CZ-CE2 3.78Å; Y85-Y96 WeakPolarHBondContact OH-CE2 3.35Å; Y85-H98 AromaticContact CD1-CE1 3.83Å; Y85-H98 AromaticContact CD1-NE2 3.62Å; Y85-H98 AromaticContact CE1-CE1 3.37Å; Y85-H98 WeakPolarHBondContact CE1-CE1 3.33Å; Y85-H98 AromaticContact CE1-NE2 3.48Å; Y85-H98 WeakPolarHBondContact CE1-NE2 3.49Å; Y85-V206 HydrophobicContact CE1-CG1 4.05Å; Y85-F225 AromaticContact CD2-CD1 3.94Å; Y85-F225 HydrophobicContact CD2-CD1 3.94Å; Y85-F225 AromaticContact CD2-CE1 3.41Å; Y85-F225 HydrophobicContact CD2-CE1 3.41Å; Y85-F225 VanDerWaalsContact CD2-CE1 3.41Å; Y85-F225 HydrophobicContact CD2-CZ 4.44Å; Y85-F225 HydrophobicContact CE2-CE1 4.32Å; Y85-F225 AromaticContact CG-CE1 3.78Å; Y85-F225 HydrophobicContact CG-CE1 3.78Å; Y85-F225 HydrophobicContact CG-CZ 4.45Å; Y85-I228 HydrophobicContact CE2-CD1 3.86Å |
| 86 | F | 93.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 48 Ų | 48 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.3 | -47.7 | 173.9 | 175.5 | -99.9 | 0 | 0 | 0 | 111.3 | W78 G82 I88 T89 V90 A99 P101 | W78-F86 HydrophobicContact CH2-CB 4.4Å; W78-F86 AromaticContact CH2-CD1 3.75Å; W78-F86 HydrophobicContact CH2-CD1 3.75Å; W78-F86 HydrophobicContact CH2-CD2 4Å; W78-F86 AromaticContact CH2-CE1 3.98Å; W78-F86 HydrophobicContact CH2-CE1 3.98Å; W78-F86 HydrophobicContact CH2-CE2 4.23Å; W78-F86 AromaticContact CH2-CG 3.76Å; W78-F86 HydrophobicContact CH2-CG 3.76Å; W78-F86 HydrophobicContact CH2-CZ 4.23Å; W78-F86 HydrophobicContact CZ3-CB 4.29Å; W78-F86 AromaticContact CZ3-CD1 3.85Å; W78-F86 HydrophobicContact CZ3-CD1 3.85Å; W78-F86 HydrophobicContact CZ3-CE1 4.39Å; W78-F86 HydrophobicContact CZ3-CG 4.01Å; G82-F86 WeakPolarHBondContact O-CB 3.48Å; G82-F86 PolarHBondContact O-N 3.13Å; F86-I88 VanDerWaalsContact C-N 3.34Å; F86-I88 PolarHBondContact O-N 2.91Å; F86-T89 PolarHBondContact O-N 3.41Å; F86-T89 VanDerWaalsContact O-N 3.07Å; F86-T89 PolarHBondContact O-OG1 3.46Å; F86-V90 HydrophobicContact CD1-CG2 4.25Å; F86-V90 HydrophobicContact CD2-CG2 4.45Å; F86-V90 HydrophobicContact CE1-CG2 3.76Å; F86-V90 HydrophobicContact CE2-CG2 3.98Å; F86-V90 HydrophobicContact CZ-CG2 3.6Å; F86-V90 WeakPolarHBondContact O-CG2 3.4Å; F86-V90 PolarHBondContact O-N 3.23Å; F86-A99 WeakPolarHBondContact CD2-O 3.33Å; F86-A99 WeakPolarHBondContact CE2-O 3.45Å; F86-P101 HydrophobicContact CZ-CG 4.43Å |
| 87 | A | 95.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S83 F84 Y85 T89 V90 I91 Y113 | S83-A87 WeakPolarHBondContact O-CB 3.49Å; S83-A87 PolarHBondContact O-N 3.11Å; F84-A87 WeakPolarHBondContact O-CB 3.4Å; F84-A87 PolarHBondContact O-N 3Å; Y85-A87 VanDerWaalsContact C-N 3.34Å; Y85-A87 PolarHBondContact O-N 3.42Å; A87-T89 PolarHBondContact O-N 3.04Å; A87-V90 PolarHBondContact O-N 3.42Å; A87-I91 WeakPolarHBondContact O-CG1 3.44Å; A87-I91 PolarHBondContact O-N 2.89Å; A87-Y113 HydrophobicContact CB-CE1 4.11Å |
| 88 | I | 94.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -51.4 | 172.6 | -69 | 167.9 | 0 | 0 | 0 | 109.8 | F84 Y85 F86 V90 I91 T92 F225 I228 | F84-I88 HydrophobicContact CD1-CD1 3.75Å; F84-I88 HydrophobicContact CD1-CG1 4.38Å; F84-I88 HydrophobicContact CE1-CD1 3.49Å; F84-I88 VanDerWaalsContact CE1-CD1 3.49Å; F84-I88 HydrophobicContact CE1-CG1 4.18Å; F84-I88 HydrophobicContact CZ-CD1 4.29Å; F84-I88 WeakPolarHBondContact O-CG1 3.28Å; F84-I88 PolarHBondContact O-N 2.97Å; Y85-I88 WeakPolarHBondContact O-CB 3.48Å; Y85-I88 PolarHBondContact O-N 3.34Å; F86-I88 VanDerWaalsContact C-N 3.34Å; F86-I88 PolarHBondContact O-N 2.91Å; I88-V90 PolarHBondContact O-N 3.42Å; I88-I91 WeakPolarHBondContact O-CG1 3.3Å; I88-I91 PolarHBondContact O-N 3.16Å; I88-T92 HydrophobicContact CG2-CG2 4Å; I88-T92 VanDerWaalsContact O-CB 3.31Å; I88-T92 WeakPolarHBondContact O-CB 3.39Å; I88-T92 VanDerWaalsContact O-CG2 3.32Å; I88-T92 WeakPolarHBondContact O-CG2 3.24Å; I88-T92 PolarHBondContact O-N 3.29Å; I88-T92 PolarHBondContact O-OG1 2.87Å; I88-F225 HydrophobicContact CD1-CB 4.01Å; I88-F225 HydrophobicContact CD1-CD1 3.87Å; I88-F225 HydrophobicContact CD1-CD2 4.35Å; I88-F225 HydrophobicContact CD1-CE1 4.47Å; I88-F225 HydrophobicContact CD1-CG 3.81Å; I88-I228 HydrophobicContact CG2-CG2 4.14Å |
| 89 | T | 95 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -30.4 | -176.7 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | Y85 F86 A87 T93 I94 G95 Y96 | Y85-T89 HydrophobicContact CD2-CG2 4.39Å; Y85-T89 HydrophobicContact CE2-CG2 4.24Å; Y85-T89 WeakPolarHBondContact O-CG2 3.48Å; Y85-T89 PolarHBondContact O-N 3.38Å; F86-T89 PolarHBondContact O-N 3.41Å; F86-T89 VanDerWaalsContact O-N 3.07Å; F86-T89 PolarHBondContact O-OG1 3.46Å; A87-T89 PolarHBondContact O-N 3.04Å; T89-T93 PolarHBondContact O-N 3.49Å; T89-I94 PolarHBondContact O-N 2.82Å; T89-G95 PolarHBondContact O-N 2.85Å; T89-G95 VanDerWaalsContact O-N 3.1Å; T89-Y96 HydrophobicContact CG2-CD2 3.64Å; T89-Y96 HydrophobicContact CG2-CE2 3.86Å |
| 90 | V | 96.8 | Very high | 91.7 | Very high | 21 Ų | 21 | 35.4 Ų | 35.4 | 13% | 0.127 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.2 | -53.9 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | F86 A87 I88 T92 T93 Y113 A114 | F86-V90 HydrophobicContact CD1-CG2 4.25Å; F86-V90 HydrophobicContact CD2-CG2 4.45Å; F86-V90 HydrophobicContact CE1-CG2 3.76Å; F86-V90 HydrophobicContact CE2-CG2 3.98Å; F86-V90 HydrophobicContact CZ-CG2 3.6Å; F86-V90 WeakPolarHBondContact O-CG2 3.4Å; F86-V90 PolarHBondContact O-N 3.23Å; A87-V90 PolarHBondContact O-N 3.42Å; I88-V90 PolarHBondContact O-N 3.42Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 2.96Å; V90-T93 PolarHBondContact O-N 3.32Å; V90-T93 VanDerWaalsContact O-N 3.15Å; V90-Y113 HydrophobicContact CB-CD1 4.4Å; V90-Y113 HydrophobicContact CB-CE1 4.41Å; V90-Y113 HydrophobicContact CG1-CD1 3.88Å; V90-Y113 HydrophobicContact CG1-CE1 4.3Å; V90-A114 HydrophobicContact CG1-CB 3.9Å |
| 91 | I | 96.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 19% | 0.185 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -28 | -175.4 | 67.7 | -176.3 | 0 | 0 | 0 | 113 | A87 I88 T93 Y113 T121 | A87-I91 WeakPolarHBondContact O-CG1 3.44Å; A87-I91 PolarHBondContact O-N 2.89Å; I88-I91 WeakPolarHBondContact O-CG1 3.3Å; I88-I91 PolarHBondContact O-N 3.16Å; I91-T93 VanDerWaalsContact C-N 3.32Å; I91-Y113 HydrophobicContact CG2-CD1 4.16Å; I91-Y113 HydrophobicContact CG2-CE1 3.32Å; I91-Y113 WeakPolarHBondContact CG2-OH 3.46Å; I91-T121 WeakPolarHBondContact CB-OG1 3.34Å; I91-T121 WeakPolarHBondContact O-CB 3.32Å |
| 92 | T | 94.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.5 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 113 | I88 V90 I94 T121 F125 T199 L232 | I88-T92 HydrophobicContact CG2-CG2 4Å; I88-T92 VanDerWaalsContact O-CB 3.31Å; I88-T92 WeakPolarHBondContact O-CB 3.39Å; I88-T92 VanDerWaalsContact O-CG2 3.32Å; I88-T92 WeakPolarHBondContact O-CG2 3.24Å; I88-T92 PolarHBondContact O-N 3.29Å; I88-T92 PolarHBondContact O-OG1 2.87Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 2.96Å; T92-I94 PolarHBondContact O-N 3.35Å; T92-I94 VanDerWaalsContact O-N 3.16Å; T92-I94 VanDerWaalsContact OG1-CD1 3.27Å; T92-I94 WeakPolarHBondContact OG1-CD1 3.38Å; T92-I94 WeakPolarHBondContact OG1-CG1 3.34Å; T92-T121 HydrophobicContact CG2-CG2 4.39Å; T92-F125 HydrophobicContact CG2-CE2 4.25Å; T92-F125 HydrophobicContact CG2-CZ 4.34Å; T92-T199 VanDerWaalsContact O-CG2 3.24Å; T92-T199 WeakPolarHBondContact O-CG2 3.12Å; T92-L232 HydrophobicContact CG2-CD1 3.49Å; T92-L232 VanDerWaalsContact CG2-CD1 3.49Å |
| 93 | T | 96.2 | Very high | 92.3 | Very high | 66 Ų | 66 | 34.3 Ų | 34.3 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 18.6 | -178.9 | 65.1 | 0 | 0 | 0 | 0 | 115.3 | T89 V90 I91 I118 | T89-T93 PolarHBondContact O-N 3.49Å; V90-T93 PolarHBondContact O-N 3.32Å; V90-T93 VanDerWaalsContact O-N 3.15Å; I91-T93 VanDerWaalsContact C-N 3.32Å; T93-I118 HydrophobicContact CG2-CB 4.41Å; T93-I118 HydrophobicContact CG2-CD1 3.66Å; T93-I118 HydrophobicContact CG2-CG1 3.7Å; T93-I118 HydrophobicContact CG2-CG2 3.83Å |
| 94 | I | 95.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | -69.7 | -51.7 | 175.1 | -60.1 | 166.6 | 0 | 0 | 0 | 110.3 | T89 T92 Y96 T196 T199 G201 I228 L232 | T89-I94 PolarHBondContact O-N 2.82Å; T92-I94 PolarHBondContact O-N 3.35Å; T92-I94 VanDerWaalsContact O-N 3.16Å; T92-I94 VanDerWaalsContact OG1-CD1 3.27Å; T92-I94 WeakPolarHBondContact OG1-CD1 3.38Å; T92-I94 WeakPolarHBondContact OG1-CG1 3.34Å; I94-Y96 HydrophobicContact CG2-CD1 3.96Å; I94-Y96 HydrophobicContact CG2-CD2 4.06Å; I94-Y96 HydrophobicContact CG2-CE1 3.64Å; I94-Y96 HydrophobicContact CG2-CE2 3.73Å; I94-Y96 HydrophobicContact CG2-CG 4.16Å; I94-Y96 PolarHBondContact O-N 3.42Å; I94-T196 HydrophobicContact CD1-CG2 4.13Å; I94-T199 HydrophobicContact CG1-CG2 4.15Å; I94-G201 WeakPolarHBondContact O-CA 3.28Å; I94-I228 HydrophobicContact CD1-CG2 3.75Å; I94-L232 HydrophobicContact CD1-CD1 4.3Å | ||
| 95 | G | 94 | Very high | 92.7 | Very high | 46 Ų | 46 | 37 Ų | 37 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | trans | 55.2 | 48.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | T89 G97 | T89-G95 PolarHBondContact O-N 2.85Å; T89-G95 VanDerWaalsContact O-N 3.1Å; G95-G97 PolarHBondContact O-N 3.4Å | ||
| 96 | Y | 91.2 | Very high | 93 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | trans | -49.6 | -24.8 | -179.2 | -64.2 | -63.9 | 0 | 0 | 0 | 116.9 | Y85 T89 I94 H98 Y192 T196 G201 G203 V206 | Y85-Y96 HydrophobicContact CE2-CE2 4.31Å; Y85-Y96 AromaticContact CZ-CE2 3.78Å; Y85-Y96 WeakPolarHBondContact OH-CE2 3.35Å; T89-Y96 HydrophobicContact CG2-CD2 3.64Å; T89-Y96 HydrophobicContact CG2-CE2 3.86Å; I94-Y96 HydrophobicContact CG2-CD1 3.96Å; I94-Y96 HydrophobicContact CG2-CD2 4.06Å; I94-Y96 HydrophobicContact CG2-CE1 3.64Å; I94-Y96 HydrophobicContact CG2-CE2 3.73Å; I94-Y96 HydrophobicContact CG2-CG 4.16Å; I94-Y96 PolarHBondContact O-N 3.42Å; Y96-H98 VanDerWaalsContact CB-ND1 3.28Å; Y96-H98 WeakPolarHBondContact CB-ND1 3.41Å; Y96-H98 AromaticContact CD2-CE1 3.94Å; Y96-H98 AromaticContact CD2-ND1 3.95Å; Y96-H98 PolarHBondContact O-N 3.33Å; Y96-H98 VanDerWaalsContact O-N 3.13Å; Y96-Y192 HydrophobicContact CE1-CE2 4.12Å; Y96-Y192 AromaticContact CZ-CE2 3.99Å; Y96-Y192 WeakPolarHBondContact OH-CE2 3.32Å; Y96-Y192 PolarHBondContact OH-OH 2.94Å; Y96-T196 WeakPolarHBondContact OH-CB 3.5Å; Y96-T196 WeakPolarHBondContact OH-CG2 3.49Å; Y96-T196 PolarHBondContact OH-OG1 3.41Å; Y96-G201 VanDerWaalsContact CA-O 3.31Å; Y96-G201 WeakPolarHBondContact CA-O 3.48Å; Y96-G203 VanDerWaalsContact O-CA 3.29Å; Y96-G203 WeakPolarHBondContact O-CA 3.42Å; Y96-V206 HydrophobicContact CD1-CG2 4.15Å; Y96-V206 HydrophobicContact CD2-CG1 4.31Å; Y96-V206 HydrophobicContact CG-CG1 4.48Å; Y96-V206 HydrophobicContact CG-CG2 4.07Å | ||
| 97 | G | 88.4 | Confident | 93.1 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | trans | 74.6 | -2.2 | -180 | 0 | 0 | 0 | 0 | 0 | 116.3 | G95 A99 | G95-G97 PolarHBondContact O-N 3.4Å; G97-A99 PolarHBondContact O-N 3.34Å | ||
| 98 | H | 84.3 | Confident | 93.2 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -61.3 | -27.7 | 173.4 | 67.9 | -84.5 | 0 | 0 | 0 | 113.1 | Y85 Y96 V206 Q209 | Y85-H98 AromaticContact CD1-CE1 3.83Å; Y85-H98 AromaticContact CD1-NE2 3.62Å; Y85-H98 AromaticContact CE1-CE1 3.37Å; Y85-H98 WeakPolarHBondContact CE1-CE1 3.33Å; Y85-H98 AromaticContact CE1-NE2 3.48Å; Y85-H98 WeakPolarHBondContact CE1-NE2 3.49Å; Y96-H98 VanDerWaalsContact CB-ND1 3.28Å; Y96-H98 WeakPolarHBondContact CB-ND1 3.41Å; Y96-H98 AromaticContact CD2-CE1 3.94Å; Y96-H98 AromaticContact CD2-ND1 3.95Å; Y96-H98 PolarHBondContact O-N 3.33Å; Y96-H98 VanDerWaalsContact O-N 3.13Å; H98-V206 HydrophobicContact CB-CG1 4.49Å; H98-V206 HydrophobicContact CB-CG2 4.21Å; H98-Q209 PolarHBondContact CD2-NE2 2.84Å; H98-Q209 VanDerWaalsContact CD2-NE2 3.32Å |
| 99 | A | 85.1 | Confident | 93.4 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -133.9 | 129.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q77 F86 G97 | Q77-A99 HydrophobicContact CB-CB 4.43Å; F86-A99 WeakPolarHBondContact CD2-O 3.33Å; F86-A99 WeakPolarHBondContact CE2-O 3.45Å; G97-A99 PolarHBondContact O-N 3.34Å |
| 100 | A | 89.4 | Confident | 93.5 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | trans | -137.9 | 148.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G102 | A100-G102 PolarHBondContact O-N 3.47Å; A100-G102 VanDerWaalsContact O-N 3.08Å | ||
| 101 | P | 91.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | trans | -65 | 112.2 | 179.9 | 24.8 | -32.2 | 0 | 0 | 0 | 110.5 | F86 K107 C110 | F86-P101 HydrophobicContact CZ-CG 4.43Å; P101-K107 HydrophobicContact CB-CG 4.25Å; P101-K107 HydrophobicContact CG-CG 3.98Å; P101-K107 VanDerWaalsContact O-CE 3.31Å; P101-K107 WeakPolarHBondContact O-CE 3.38Å; P101-K107 WeakPolarHBondContact O-CG 3.18Å; P101-C110 HydrophobicContact CG-CB 4.3Å | ||
| 102 | G | 88.2 | Confident | 93.6 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | trans | -75.3 | -24.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A100 | A100-G102 PolarHBondContact O-N 3.47Å; A100-G102 VanDerWaalsContact O-N 3.08Å | ||
| 103 | T | 93.5 | Very high | 93.7 | Very high | 93 Ų | 93 | 62.9 Ų | 62.9 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -91.3 | 146.6 | -178.2 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | A105 G106 K107 | T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.29Å; T103-G106 PolarHBondContact O-N 3.48Å; T103-G106 VanDerWaalsContact O-N 3.13Å; T103-G106 PolarHBondContact OG1-N 3.24Å; T103-G106 VanDerWaalsContact OG1-N 3.17Å; T103-K107 WeakPolarHBondContact O-CG 3.49Å; T103-K107 PolarHBondContact O-N 3.47Å |
| 104 | D | 95.9 | Very high | 93.8 | Very high | 119 Ų | 119 | 60.8 Ų | 60.8 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.3 | -37.7 | 178.9 | -65.1 | -23.5 | 0 | 0 | 0 | 112 | G106 K107 V108 | D104-G106 VanDerWaalsContact C-N 3.34Å; D104-G106 PolarHBondContact O-N 2.92Å; D104-K107 PolarHBondContact O-N 3.42Å; D104-K107 IonicContact OD1-NZ 2.67Å; D104-K107 PolarHBondContact OD1-NZ 3.19Å; D104-K107 VanDerWaalsContact OD1-NZ 3.15Å; D104-V108 WeakPolarHBondContact O-CG2 3.17Å; D104-V108 PolarHBondContact O-N 3.36Å |
| 105 | A | 96.3 | Very high | 93.8 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | T103 V108 F109 | T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.29Å; A105-V108 PolarHBondContact O-N 3.27Å; A105-F109 WeakPolarHBondContact O-CB 2.98Å; A105-F109 PolarHBondContact O-N 2.97Å |
| 106 | G | 95.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T103 D104 C110 | T103-G106 PolarHBondContact O-N 3.48Å; T103-G106 VanDerWaalsContact O-N 3.13Å; T103-G106 PolarHBondContact OG1-N 3.24Å; T103-G106 VanDerWaalsContact OG1-N 3.17Å; D104-G106 VanDerWaalsContact C-N 3.34Å; D104-G106 PolarHBondContact O-N 2.92Å; G106-C110 VanDerWaalsContact O-CB 3.28Å; G106-C110 WeakPolarHBondContact O-CB 3.43Å; G106-C110 PolarHBondContact O-N 2.85Å |
| 107 | K | 96.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 30% | 0.3 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 174.9 | -67.3 | 170.2 | -166.3 | 158 | 0 | 111.4 | P101 T103 D104 F109 C110 M111 | P101-K107 HydrophobicContact CB-CG 4.25Å; P101-K107 HydrophobicContact CG-CG 3.98Å; P101-K107 VanDerWaalsContact O-CE 3.31Å; P101-K107 WeakPolarHBondContact O-CE 3.38Å; P101-K107 WeakPolarHBondContact O-CG 3.18Å; T103-K107 WeakPolarHBondContact O-CG 3.49Å; T103-K107 PolarHBondContact O-N 3.47Å; D104-K107 PolarHBondContact O-N 3.42Å; D104-K107 IonicContact OD1-NZ 2.67Å; D104-K107 PolarHBondContact OD1-NZ 3.19Å; D104-K107 VanDerWaalsContact OD1-NZ 3.15Å; K107-F109 PolarHBondContact O-N 2.79Å; K107-C110 WeakPolarHBondContact O-CB 3.25Å; K107-C110 PolarHBondContact O-N 3.1Å; K107-M111 WeakPolarHBondContact O-CG 3.38Å; K107-M111 PolarHBondContact O-N 2.96Å |
| 108 | V | 97.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | D104 A105 C110 M111 F112 | D104-V108 WeakPolarHBondContact O-CG2 3.17Å; D104-V108 PolarHBondContact O-N 3.36Å; A105-V108 PolarHBondContact O-N 3.27Å; V108-C110 VanDerWaalsContact C-N 3.35Å; V108-C110 PolarHBondContact O-N 3.46Å; V108-M111 WeakPolarHBondContact O-CB 3.26Å; V108-M111 PolarHBondContact O-N 3.36Å; V108-F112 HydrophobicContact CG1-CD2 3.95Å; V108-F112 HydrophobicContact CG1-CE2 3.66Å; V108-F112 VanDerWaalsContact O-CD2 3.24Å; V108-F112 WeakPolarHBondContact O-CD2 3.42Å; V108-F112 PolarHBondContact O-N 2.84Å |
| 109 | F | 97.5 | Very high | 95.1 | Very high | 139 Ų | 139 | 71.6 Ų | 71.6 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.8 | -45.1 | 175.3 | 176.5 | -99.3 | 0 | 0 | 0 | 112.1 | A105 K107 M111 F112 Y113 | A105-F109 WeakPolarHBondContact O-CB 2.98Å; A105-F109 PolarHBondContact O-N 2.97Å; K107-F109 PolarHBondContact O-N 2.79Å; F109-M111 VanDerWaalsContact C-N 3.29Å; F109-M111 PolarHBondContact O-N 3.41Å; F109-F112 PolarHBondContact O-N 3.06Å; F109-Y113 HydrophobicContact CE1-CG 4.37Å; F109-Y113 HydrophobicContact CZ-CD2 4.28Å; F109-Y113 VanDerWaalsContact O-CB 3.26Å; F109-Y113 WeakPolarHBondContact O-CB 3.39Å; F109-Y113 PolarHBondContact O-N 3.49Å |
| 110 | C | 97.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 76.9 Ų | 76.9 | 18% | 0.176 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 178.2 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | P101 G106 K107 V108 Y113 A114 | P101-C110 HydrophobicContact CG-CB 4.3Å; G106-C110 VanDerWaalsContact O-CB 3.28Å; G106-C110 WeakPolarHBondContact O-CB 3.43Å; G106-C110 PolarHBondContact O-N 2.85Å; K107-C110 WeakPolarHBondContact O-CB 3.25Å; K107-C110 PolarHBondContact O-N 3.1Å; V108-C110 VanDerWaalsContact C-N 3.35Å; V108-C110 PolarHBondContact O-N 3.46Å; C110-Y113 PolarHBondContact O-N 2.85Å; C110-A114 WeakPolarHBondContact O-CB 3.25Å; C110-A114 PolarHBondContact O-N 3.24Å |
| 111 | M | 97.5 | Very high | 95.8 | Very high | 124 Ų | 124 | 75.5 Ų | 75.5 | 61% | 0.611 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.7 | -51.2 | 176.4 | -66.7 | 169.9 | -170.9 | 0 | 0 | 111.3 | K107 V108 F109 Y113 A114 V115 | K107-M111 WeakPolarHBondContact O-CG 3.38Å; K107-M111 PolarHBondContact O-N 2.96Å; V108-M111 WeakPolarHBondContact O-CB 3.26Å; V108-M111 PolarHBondContact O-N 3.36Å; F109-M111 VanDerWaalsContact C-N 3.29Å; F109-M111 PolarHBondContact O-N 3.41Å; M111-Y113 PolarHBondContact O-N 2.91Å; M111-A114 PolarHBondContact O-N 2.77Å; M111-V115 WeakPolarHBondContact O-CG2 3.45Å; M111-V115 PolarHBondContact O-N 2.83Å; M111-V115 VanDerWaalsContact O-N 3.14Å |
| 112 | F | 97.8 | Very high | 95.8 | Very high | 141 Ų | 141 | 79.2 Ų | 79.2 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178.1 | -72.7 | -69.1 | 0 | 0 | 0 | 112.6 | V108 F109 A114 V115 L116 | V108-F112 HydrophobicContact CG1-CD2 3.95Å; V108-F112 HydrophobicContact CG1-CE2 3.66Å; V108-F112 VanDerWaalsContact O-CD2 3.24Å; V108-F112 WeakPolarHBondContact O-CD2 3.42Å; V108-F112 PolarHBondContact O-N 2.84Å; F109-F112 PolarHBondContact O-N 3.06Å; F112-A114 PolarHBondContact O-N 3.4Å; F112-V115 PolarHBondContact O-N 3.49Å; F112-L116 PolarHBondContact O-N 3.44Å |
| 113 | Y | 97.7 | Very high | 96 | Very high | 79 Ų | 79 | 80.4 Ų | 80.4 | 31% | 0.31 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.6 | -175.8 | -109.2 | 0 | 0 | 0 | 111.9 | A87 V90 I91 F109 C110 M111 G117 | A87-Y113 HydrophobicContact CB-CE1 4.11Å; V90-Y113 HydrophobicContact CB-CD1 4.4Å; V90-Y113 HydrophobicContact CB-CE1 4.41Å; V90-Y113 HydrophobicContact CG1-CD1 3.88Å; V90-Y113 HydrophobicContact CG1-CE1 4.3Å; I91-Y113 HydrophobicContact CG2-CD1 4.16Å; I91-Y113 HydrophobicContact CG2-CE1 3.32Å; I91-Y113 WeakPolarHBondContact CG2-OH 3.46Å; F109-Y113 HydrophobicContact CE1-CG 4.37Å; F109-Y113 HydrophobicContact CZ-CD2 4.28Å; F109-Y113 VanDerWaalsContact O-CB 3.26Å; F109-Y113 WeakPolarHBondContact O-CB 3.39Å; F109-Y113 PolarHBondContact O-N 3.49Å; C110-Y113 PolarHBondContact O-N 2.85Å; M111-Y113 PolarHBondContact O-N 2.91Å; Y113-G117 WeakPolarHBondContact O-CA 3.49Å; Y113-G117 PolarHBondContact O-N 3.19Å |
| 114 | A | 97.1 | Very high | 96 | Very high | 21 Ų | 21 | 79.8 Ų | 79.8 | 17% | 0.174 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V90 C110 M111 F112 L116 G117 I118 | V90-A114 HydrophobicContact CG1-CB 3.9Å; C110-A114 WeakPolarHBondContact O-CB 3.25Å; C110-A114 PolarHBondContact O-N 3.24Å; M111-A114 PolarHBondContact O-N 2.77Å; F112-A114 PolarHBondContact O-N 3.4Å; A114-L116 VanDerWaalsContact C-N 3.28Å; A114-L116 PolarHBondContact O-N 3.24Å; A114-G117 PolarHBondContact O-N 3.27Å; A114-I118 HydrophobicContact CB-CD1 3.99Å; A114-I118 WeakPolarHBondContact O-CB 3.39Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.33Å; A114-I118 PolarHBondContact O-N 2.82Å |
| 115 | V | 97.3 | Very high | 95.7 | Very high | 104 Ų | 104 | 75.1 Ų | 75.1 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.8 | -39.9 | -179.7 | 167.8 | 0 | 0 | 0 | 0 | 112.2 | M111 F112 P119 | M111-V115 WeakPolarHBondContact O-CG2 3.45Å; M111-V115 PolarHBondContact O-N 2.83Å; M111-V115 VanDerWaalsContact O-N 3.14Å; F112-V115 PolarHBondContact O-N 3.49Å; V115-P119 WeakPolarHBondContact O-CD 3.46Å; V115-P119 VanDerWaalsContact O-CG 3.31Å; V115-P119 WeakPolarHBondContact O-CG 3.47Å |
| 116 | L | 95.9 | Very high | 95.4 | Very high | 136 Ų | 136 | 75.3 Ų | 75.3 | 71% | 0.712 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -88.9 | -38.1 | 178.5 | -62.6 | 178 | 0 | 0 | 0 | 112.7 | F112 A114 L120 | F112-L116 PolarHBondContact O-N 3.44Å; A114-L116 VanDerWaalsContact C-N 3.28Å; A114-L116 PolarHBondContact O-N 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.44Å; L116-L120 PolarHBondContact O-N 3.47Å |
| 117 | G | 96.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 76.7 Ų | 76.7 | 9% | 0.093 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.8 | -40.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y113 A114 L120 T121 | Y113-G117 WeakPolarHBondContact O-CA 3.49Å; Y113-G117 PolarHBondContact O-N 3.19Å; A114-G117 PolarHBondContact O-N 3.27Å; G117-L120 PolarHBondContact O-N 2.82Å; G117-T121 VanDerWaalsContact O-CB 3.3Å; G117-T121 WeakPolarHBondContact O-CB 3.29Å; G117-T121 PolarHBondContact O-N 2.91Å; G117-T121 PolarHBondContact O-OG1 3.01Å |
| 118 | I | 96.4 | Very high | 95 | Very high | 50 Ų | 50 | 76.5 Ų | 76.5 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -51.4 | -177.4 | -63.1 | 166.1 | 0 | 0 | 0 | 111.1 | T93 A114 L120 T121 L122 | T93-I118 HydrophobicContact CG2-CB 4.41Å; T93-I118 HydrophobicContact CG2-CD1 3.66Å; T93-I118 HydrophobicContact CG2-CG1 3.7Å; T93-I118 HydrophobicContact CG2-CG2 3.83Å; A114-I118 HydrophobicContact CB-CD1 3.99Å; A114-I118 WeakPolarHBondContact O-CB 3.39Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.33Å; A114-I118 PolarHBondContact O-N 2.82Å; I118-L120 VanDerWaalsContact C-N 3.34Å; I118-L120 PolarHBondContact O-N 3.05Å; I118-T121 PolarHBondContact O-N 3Å; I118-L122 HydrophobicContact CG2-CD1 4.07Å; I118-L122 HydrophobicContact CG2-CG 4.36Å; I118-L122 WeakPolarHBondContact O-CG 3.41Å; I118-L122 PolarHBondContact O-N 3.1Å |
| 119 | P | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 73 Ų | 73 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 177.2 | -24.4 | 35.1 | 0 | 0 | 0 | 113 | V115 T121 L122 V123 | V115-P119 WeakPolarHBondContact O-CD 3.46Å; V115-P119 VanDerWaalsContact O-CG 3.31Å; V115-P119 WeakPolarHBondContact O-CG 3.47Å; P119-T121 VanDerWaalsContact C-N 3.32Å; P119-T121 PolarHBondContact O-N 3.19Å; P119-L122 PolarHBondContact O-N 3.49Å; P119-V123 WeakPolarHBondContact O-CG2 3.48Å; P119-V123 PolarHBondContact O-N 3.43Å |
| 120 | L | 95 | Very high | 94.4 | Very high | 127 Ų | 127 | 71.6 Ų | 71.6 | 67% | 0.665 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 176.7 | 178.7 | 63.7 | 0 | 0 | 0 | 111.4 | L116 G117 I118 V123 M124 | L116-L120 WeakPolarHBondContact O-CB 3.44Å; L116-L120 PolarHBondContact O-N 3.47Å; G117-L120 PolarHBondContact O-N 2.82Å; I118-L120 VanDerWaalsContact C-N 3.34Å; I118-L120 PolarHBondContact O-N 3.05Å; L120-V123 PolarHBondContact O-N 3.27Å; L120-M124 WeakPolarHBondContact O-CB 3.5Å; L120-M124 PolarHBondContact O-N 2.82Å |
| 121 | T | 93.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | I91 T92 G117 I118 P119 M124 F125 | I91-T121 WeakPolarHBondContact CB-OG1 3.34Å; I91-T121 WeakPolarHBondContact O-CB 3.32Å; T92-T121 HydrophobicContact CG2-CG2 4.39Å; G117-T121 VanDerWaalsContact O-CB 3.3Å; G117-T121 WeakPolarHBondContact O-CB 3.29Å; G117-T121 PolarHBondContact O-N 2.91Å; G117-T121 PolarHBondContact O-OG1 3.01Å; I118-T121 PolarHBondContact O-N 3Å; P119-T121 VanDerWaalsContact C-N 3.32Å; P119-T121 PolarHBondContact O-N 3.19Å; T121-M124 HydrophobicContact CG2-CE 4.4Å; T121-M124 PolarHBondContact O-N 3.29Å; T121-F125 HydrophobicContact CG2-CD2 3.62Å; T121-F125 HydrophobicContact CG2-CE2 3.3Å; T121-F125 HydrophobicContact CG2-CZ 4.13Å; T121-F125 WeakPolarHBondContact O-CD2 3.36Å; T121-F125 PolarHBondContact O-N 3.3Å |
| 122 | L | 91.4 | Very high | 93.9 | Very high | 104 Ų | 104 | 75.9 Ų | 75.9 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.5 | -71.7 | 174.8 | 0 | 0 | 0 | 111.7 | I118 P119 M124 F125 Q126 | I118-L122 HydrophobicContact CG2-CD1 4.07Å; I118-L122 HydrophobicContact CG2-CG 4.36Å; I118-L122 WeakPolarHBondContact O-CG 3.41Å; I118-L122 PolarHBondContact O-N 3.1Å; P119-L122 PolarHBondContact O-N 3.49Å; L122-M124 VanDerWaalsContact C-N 3.32Å; L122-M124 PolarHBondContact O-N 2.85Å; L122-F125 PolarHBondContact O-N 3.27Å; L122-Q126 VanDerWaalsContact O-CG 3.27Å; L122-Q126 WeakPolarHBondContact O-CG 3.33Å; L122-Q126 PolarHBondContact O-N 3.18Å |
| 123 | V | 92.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 70.5 Ų | 70.5 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111.4 | P119 L120 Q126 S127 | P119-V123 WeakPolarHBondContact O-CG2 3.48Å; P119-V123 PolarHBondContact O-N 3.43Å; L120-V123 PolarHBondContact O-N 3.27Å; V123-Q126 PolarHBondContact O-N 2.88Å; V123-S127 WeakPolarHBondContact O-CB 3.11Å; V123-S127 PolarHBondContact O-N 2.9Å; V123-S127 PolarHBondContact O-OG 3.44Å |
| 124 | M | 92.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 39% | 0.394 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 175.8 | -177.5 | -169.3 | 71.2 | 0 | 0 | 111.2 | L120 T121 L122 Q126 S127 L128 | L120-M124 WeakPolarHBondContact O-CB 3.5Å; L120-M124 PolarHBondContact O-N 2.82Å; T121-M124 HydrophobicContact CG2-CE 4.4Å; T121-M124 PolarHBondContact O-N 3.29Å; L122-M124 VanDerWaalsContact C-N 3.32Å; L122-M124 PolarHBondContact O-N 2.85Å; M124-Q126 VanDerWaalsContact C-N 3.35Å; M124-Q126 PolarHBondContact O-N 2.89Å; M124-S127 PolarHBondContact O-N 3.46Å; M124-L128 HydrophobicContact CG-CD1 3.92Å; M124-L128 HydrophobicContact CG-CG 4.4Å; M124-L128 WeakPolarHBondContact O-CB 3.29Å; M124-L128 WeakPolarHBondContact O-CG 3.49Å; M124-L128 PolarHBondContact O-N 3.05Å; M124-L128 HydrophobicContact SD-CD1 4.5Å |
| 125 | F | 90.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 75.8 Ų | 75.8 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 179.4 | -75.7 | -44.3 | 0 | 0 | 0 | 113 | T92 T121 L122 G129 L232 | T92-F125 HydrophobicContact CG2-CE2 4.25Å; T92-F125 HydrophobicContact CG2-CZ 4.34Å; T121-F125 HydrophobicContact CG2-CD2 3.62Å; T121-F125 HydrophobicContact CG2-CE2 3.3Å; T121-F125 HydrophobicContact CG2-CZ 4.13Å; T121-F125 WeakPolarHBondContact O-CD2 3.36Å; T121-F125 PolarHBondContact O-N 3.3Å; L122-F125 PolarHBondContact O-N 3.27Å; F125-G129 WeakPolarHBondContact O-CA 3.38Å; F125-G129 PolarHBondContact O-N 3.39Å; F125-L232 HydrophobicContact CE1-CB 3.87Å; F125-L232 HydrophobicContact CE2-CB 4.04Å; F125-L232 HydrophobicContact CE2-CD1 4.01Å; F125-L232 HydrophobicContact CZ-CB 3.56Å; F125-L232 HydrophobicContact CZ-CD1 3.77Å; F125-L232 HydrophobicContact CZ-CG 4.34Å |
| 126 | Q | 89.5 | Confident | 92.6 | Very high | 82 Ų | 82 | 72.5 Ų | 72.5 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 172.5 | -71.1 | -65.2 | -26.9 | 0 | 0 | 111 | L122 V123 M124 L128 G129 E130 N240 | L122-Q126 VanDerWaalsContact O-CG 3.27Å; L122-Q126 WeakPolarHBondContact O-CG 3.33Å; L122-Q126 PolarHBondContact O-N 3.18Å; V123-Q126 PolarHBondContact O-N 2.88Å; M124-Q126 VanDerWaalsContact C-N 3.35Å; M124-Q126 PolarHBondContact O-N 2.89Å; Q126-L128 PolarHBondContact O-N 2.92Å; Q126-G129 PolarHBondContact O-N 3.42Å; Q126-G129 VanDerWaalsContact O-N 3.16Å; Q126-E130 WeakPolarHBondContact O-CG 3.42Å; Q126-E130 PolarHBondContact O-N 2.96Å; Q126-N240 PolarHBondContact OE1-ND2 3.41Å; Q126-N240 PolarHBondContact OE1-OD1 3.32Å |
| 127 | S | 91.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | -179.9 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | V123 M124 R131 | V123-S127 WeakPolarHBondContact O-CB 3.11Å; V123-S127 PolarHBondContact O-N 2.9Å; V123-S127 PolarHBondContact O-OG 3.44Å; M124-S127 PolarHBondContact O-N 3.46Å; S127-R131 WeakPolarHBondContact O-CG 3.35Å; S127-R131 PolarHBondContact O-N 2.89Å |
| 128 | L | 93.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 77.4 Ų | 77.4 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 175.3 | -70.5 | 176.1 | 0 | 0 | 0 | 111.4 | M124 Q126 R131 M132 T233 | M124-L128 HydrophobicContact CG-CD1 3.92Å; M124-L128 HydrophobicContact CG-CG 4.4Å; M124-L128 WeakPolarHBondContact O-CB 3.29Å; M124-L128 WeakPolarHBondContact O-CG 3.49Å; M124-L128 PolarHBondContact O-N 3.05Å; M124-L128 HydrophobicContact SD-CD1 4.5Å; Q126-L128 PolarHBondContact O-N 2.92Å; L128-R131 PolarHBondContact O-N 2.85Å; L128-M132 WeakPolarHBondContact O-CB 3.33Å; L128-M132 PolarHBondContact O-N 3.21Å; L128-T233 HydrophobicContact CB-CG2 3.64Å; L128-T233 HydrophobicContact CD1-CG2 4.44Å |
| 129 | G | 90.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | F125 Q126 M132 N133 | F125-G129 WeakPolarHBondContact O-CA 3.38Å; F125-G129 PolarHBondContact O-N 3.39Å; Q126-G129 PolarHBondContact O-N 3.42Å; Q126-G129 VanDerWaalsContact O-N 3.16Å; G129-M132 PolarHBondContact O-N 3.4Å; G129-N133 WeakPolarHBondContact O-CB 3.19Å; G129-N133 VanDerWaalsContact O-CG 3.27Å; G129-N133 PolarHBondContact O-N 3.46Å; G129-N133 PolarHBondContact O-ND2 3.2Å |
| 130 | E | 90.9 | Very high | 91.1 | Very high | 111 Ų | 111 | 76.8 Ų | 76.8 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.2 | -70.5 | -177.8 | 177.1 | 0 | 0 | 112.3 | Q126 N133 T134 N240 | Q126-E130 WeakPolarHBondContact O-CG 3.42Å; Q126-E130 PolarHBondContact O-N 2.96Å; E130-N133 PolarHBondContact O-N 2.84Å; E130-T134 WeakPolarHBondContact O-CB 3.32Å; E130-T134 PolarHBondContact O-N 2.77Å; E130-T134 PolarHBondContact O-OG1 3.32Å; E130-N240 WeakPolarHBondContact CG-ND2 3.47Å |
| 131 | R | 93 | Very high | 90.7 | Very high | 181 Ų | 181 | 73.7 Ų | 73.7 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 176.4 | -70.3 | 178.8 | -177.2 | 161.3 | 2.7 | 111.3 | S127 L128 T134 F135 | S127-R131 WeakPolarHBondContact O-CG 3.35Å; S127-R131 PolarHBondContact O-N 2.89Å; L128-R131 PolarHBondContact O-N 2.85Å; R131-T134 PolarHBondContact O-N 2.88Å; R131-F135 WeakPolarHBondContact O-CB 3.47Å; R131-F135 PolarHBondContact O-N 2.87Å |
| 132 | M | 91.3 | Very high | 90.4 | Very high | 59 Ų | 59 | 77.5 Ų | 77.5 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 175 | -171.2 | 89.9 | 79.1 | 0 | 0 | 110.8 | L128 G129 T134 F135 V136 T233 V234 A237 | L128-M132 WeakPolarHBondContact O-CB 3.33Å; L128-M132 PolarHBondContact O-N 3.21Å; G129-M132 PolarHBondContact O-N 3.4Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-T134 PolarHBondContact O-N 2.97Å; M132-F135 WeakPolarHBondContact O-CB 3.47Å; M132-F135 PolarHBondContact O-N 3.44Å; M132-V136 WeakPolarHBondContact O-CG2 3.42Å; M132-V136 PolarHBondContact O-N 3.34Å; M132-T233 HydrophobicContact CE-CG2 3.55Å; M132-V234 HydrophobicContact CE-CG2 4.2Å; M132-A237 HydrophobicContact CB-CB 4.14Å; M132-A237 HydrophobicContact CG-CB 4.23Å |
| 133 | N | 91 | Very high | 90.2 | Very high | 27 Ų | 27 | 77.8 Ų | 77.8 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 178.1 | -74.2 | -26.5 | 0 | 0 | 0 | 111.9 | G129 E130 V136 R137 M159 A237 | G129-N133 WeakPolarHBondContact O-CB 3.19Å; G129-N133 VanDerWaalsContact O-CG 3.27Å; G129-N133 PolarHBondContact O-N 3.46Å; G129-N133 PolarHBondContact O-ND2 3.2Å; E130-N133 PolarHBondContact O-N 2.84Å; N133-V136 PolarHBondContact O-N 3.42Å; N133-R137 WeakPolarHBondContact O-CB 3.15Å; N133-R137 PolarHBondContact O-N 3.19Å; N133-M159 HydrophobicContact CB-CE 4.4Å; N133-M159 VanDerWaalsContact O-CE 3.3Å; N133-M159 WeakPolarHBondContact O-CE 3.36Å; N133-A237 PolarHBondContact ND2-O 3.04Å |
| 134 | T | 91.2 | Very high | 89.9 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 60% | 0.601 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | E130 R131 M132 R137 Y138 | E130-T134 WeakPolarHBondContact O-CB 3.32Å; E130-T134 PolarHBondContact O-N 2.77Å; E130-T134 PolarHBondContact O-OG1 3.32Å; R131-T134 PolarHBondContact O-N 2.88Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-T134 PolarHBondContact O-N 2.97Å; T134-R137 WeakPolarHBondContact O-CB 3.49Å; T134-R137 PolarHBondContact O-N 3.4Å; T134-Y138 PolarHBondContact O-N 3.41Å |
| 135 | F | 91 | Very high | 89.4 | Confident | 114 Ų | 114 | 75.6 Ų | 75.6 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 176.6 | 179.1 | -110.3 | 0 | 0 | 0 | 112.1 | R131 M132 R137 Y138 L139 | R131-F135 WeakPolarHBondContact O-CB 3.47Å; R131-F135 PolarHBondContact O-N 2.87Å; M132-F135 WeakPolarHBondContact O-CB 3.47Å; M132-F135 PolarHBondContact O-N 3.44Å; F135-R137 VanDerWaalsContact C-N 3.3Å; F135-R137 PolarHBondContact O-N 2.96Å; F135-Y138 WeakPolarHBondContact O-CB 3.38Å; F135-Y138 PolarHBondContact O-N 3.34Å; F135-L139 HydrophobicContact CD1-CD1 3.88Å; F135-L139 HydrophobicContact CD1-CG 4.38Å; F135-L139 HydrophobicContact CE1-CD1 3.32Å; F135-L139 HydrophobicContact CE1-CG 4.01Å; F135-L139 HydrophobicContact CE2-CD1 4.36Å; F135-L139 HydrophobicContact CE2-CD2 4.34Å; F135-L139 HydrophobicContact CE2-CG 4.19Å; F135-L139 HydrophobicContact CZ-CD1 3.6Å; F135-L139 HydrophobicContact CZ-CD2 4.08Å; F135-L139 HydrophobicContact CZ-CG 3.9Å; F135-L139 WeakPolarHBondContact O-CG 3.28Å; F135-L139 PolarHBondContact O-N 3.1Å |
| 136 | V | 89.1 | Confident | 89.2 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 21% | 0.212 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | M132 N133 Y138 L139 L140 M159 V162 | M132-V136 WeakPolarHBondContact O-CG2 3.42Å; M132-V136 PolarHBondContact O-N 3.34Å; N133-V136 PolarHBondContact O-N 3.42Å; V136-Y138 VanDerWaalsContact C-N 3.35Å; V136-Y138 PolarHBondContact O-N 3.3Å; V136-L139 PolarHBondContact O-N 2.81Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 PolarHBondContact O-N 2.89Å; V136-M159 HydrophobicContact CG1-CE 4.36Å; V136-V162 HydrophobicContact CG1-CG1 3.63Å |
| 137 | R | 88.5 | Confident | 89 | Confident | 116 Ų | 116 | 82 Ų | 82 | 44% | 0.438 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.2 | -168.1 | 176.5 | -139.9 | 161.6 | 6.8 | 111.9 | N133 T134 F135 L140 H141 V154 M159 | N133-R137 WeakPolarHBondContact O-CB 3.15Å; N133-R137 PolarHBondContact O-N 3.19Å; T134-R137 WeakPolarHBondContact O-CB 3.49Å; T134-R137 PolarHBondContact O-N 3.4Å; F135-R137 VanDerWaalsContact C-N 3.3Å; F135-R137 PolarHBondContact O-N 2.96Å; R137-L140 PolarHBondContact O-N 3.39Å; R137-H141 WeakPolarHBondContact O-CB 3.39Å; R137-H141 PolarHBondContact O-N 2.96Å; R137-V154 HydrophobicContact CG-CB 4.05Å; R137-V154 HydrophobicContact CG-CG1 3.96Å; R137-V154 HydrophobicContact CG-CG2 4.29Å; R137-V154 PolarHBondContact NH2-O 2.96Å; R137-V154 VanDerWaalsContact NH2-O 3.16Å; R137-M159 HydrophobicContact CB-CE 4Å; R137-M159 HydrophobicContact CB-SD 3.88Å; R137-M159 HydrophobicContact CG-SD 4.11Å |
| 138 | Y | 89.7 | Confident | 88.4 | Confident | 132 Ų | 132 | 82.7 Ų | 82.7 | 52% | 0.518 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.7 | 171.4 | -98.5 | 0 | 0 | 0 | 111.7 | T134 F135 V136 L140 H141 K142 | T134-Y138 PolarHBondContact O-N 3.41Å; F135-Y138 WeakPolarHBondContact O-CB 3.38Å; F135-Y138 PolarHBondContact O-N 3.34Å; V136-Y138 VanDerWaalsContact C-N 3.35Å; V136-Y138 PolarHBondContact O-N 3.3Å; Y138-L140 PolarHBondContact O-N 3.49Å; Y138-H141 PolarHBondContact O-N 3.26Å; Y138-K142 HydrophobicContact CE1-CG 4.07Å; Y138-K142 HydrophobicContact CE2-CG 4.07Å; Y138-K142 PolarHBondContact O-N 3.47Å; Y138-K142 VanDerWaalsContact OH-CE 3.24Å; Y138-K142 WeakPolarHBondContact OH-CE 3.39Å |
| 139 | L | 88.9 | Confident | 87.7 | Confident | 76 Ų | 76 | 85.7 Ų | 85.7 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.5 | -74.3 | -178.7 | 0 | 0 | 0 | 111.7 | F135 V136 H141 K142 M143 | F135-L139 HydrophobicContact CD1-CD1 3.88Å; F135-L139 HydrophobicContact CD1-CG 4.38Å; F135-L139 HydrophobicContact CE1-CD1 3.32Å; F135-L139 HydrophobicContact CE1-CG 4.01Å; F135-L139 HydrophobicContact CE2-CD1 4.36Å; F135-L139 HydrophobicContact CE2-CD2 4.34Å; F135-L139 HydrophobicContact CE2-CG 4.19Å; F135-L139 HydrophobicContact CZ-CD1 3.6Å; F135-L139 HydrophobicContact CZ-CD2 4.08Å; F135-L139 HydrophobicContact CZ-CG 3.9Å; F135-L139 WeakPolarHBondContact O-CG 3.28Å; F135-L139 PolarHBondContact O-N 3.1Å; V136-L139 PolarHBondContact O-N 2.81Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 2.76Å; L139-K142 PolarHBondContact O-N 2.95Å; L139-M143 WeakPolarHBondContact O-CB 3.5Å; L139-M143 WeakPolarHBondContact O-CG 3.4Å; L139-M143 PolarHBondContact O-N 2.91Å |
| 140 | L | 87.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 98.1 Ų | 98.1 | 16% | 0.157 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 179.3 | -164.6 | 75.1 | 0 | 0 | 0 | 111.5 | V136 R137 Y138 M143 K144 V154 N158 V162 | V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 PolarHBondContact O-N 2.89Å; R137-L140 PolarHBondContact O-N 3.39Å; Y138-L140 PolarHBondContact O-N 3.49Å; L140-M143 PolarHBondContact O-N 3.44Å; L140-K144 WeakPolarHBondContact O-CB 3.26Å; L140-K144 WeakPolarHBondContact O-CG 3.46Å; L140-K144 PolarHBondContact O-N 2.81Å; L140-V154 HydrophobicContact CB-CG2 4.45Å; L140-V154 HydrophobicContact CD2-CB 4.5Å; L140-V154 HydrophobicContact CD2-CG1 3.68Å; L140-V154 HydrophobicContact CD2-CG2 4.1Å; L140-N158 HydrophobicContact CD2-CB 4.17Å; L140-V162 HydrophobicContact CD1-CG2 4.1Å |
| 141 | H | 87.1 | Confident | 85.2 | Confident | 63 Ų | 63 | 99.5 Ų | 99.5 | 29% | 0.292 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.1 | -170.3 | 77.3 | 0 | 0 | 0 | 111.3 | R137 Y138 L139 K144 Q145 T152 V154 | R137-H141 WeakPolarHBondContact O-CB 3.39Å; R137-H141 PolarHBondContact O-N 2.96Å; Y138-H141 PolarHBondContact O-N 3.26Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 2.76Å; H141-K144 PolarHBondContact O-N 3.29Å; H141-Q145 PolarHBondContact CD2-NE2 2.99Å; H141-Q145 PolarHBondContact NE2-NE2 3.12Å; H141-Q145 WeakPolarHBondContact O-CG 3.49Å; H141-Q145 PolarHBondContact O-N 3.43Å; H141-T152 VanDerWaalsContact CE1-CB 3.44Å; H141-T152 WeakPolarHBondContact CE1-CB 3.29Å; H141-T152 PolarHBondContact CE1-O 2.81Å; H141-T152 PolarHBondContact CE1-OG1 3.28Å; H141-T152 PolarHBondContact ND1-O 3.48Å; H141-V154 HydrophobicContact CB-CG2 4.27Å |
| 142 | K | 87.1 | Confident | 84 | Confident | 90 Ų | 90 | 93 Ų | 93 | 39% | 0.391 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.7 | -82.2 | -69.3 | -172.5 | -176.1 | 0 | 112.4 | Y138 L139 Q145 C146 | Y138-K142 HydrophobicContact CE1-CG 4.07Å; Y138-K142 HydrophobicContact CE2-CG 4.07Å; Y138-K142 PolarHBondContact O-N 3.47Å; Y138-K142 VanDerWaalsContact OH-CE 3.24Å; Y138-K142 WeakPolarHBondContact OH-CE 3.39Å; L139-K142 PolarHBondContact O-N 2.95Å; K142-Q145 WeakPolarHBondContact O-CB 3.34Å; K142-Q145 PolarHBondContact O-N 3.36Å; K142-C146 PolarHBondContact O-N 2.91Å; K142-C146 PolarHBondContact O-SG 3.07Å |
| 143 | M | 86.6 | Confident | 83.2 | Confident | 110 Ų | 110 | 97 Ų | 97 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 175.6 | -74 | -179.6 | 70.3 | 0 | 0 | 111 | L139 L140 Q145 C146 L147 | L139-M143 WeakPolarHBondContact O-CB 3.5Å; L139-M143 WeakPolarHBondContact O-CG 3.4Å; L139-M143 PolarHBondContact O-N 2.91Å; L140-M143 PolarHBondContact O-N 3.44Å; M143-Q145 VanDerWaalsContact C-N 3.28Å; M143-Q145 PolarHBondContact O-N 3.45Å; M143-C146 PolarHBondContact O-N 3.22Å; M143-C146 VanDerWaalsContact O-N 3.14Å; M143-L147 HydrophobicContact CB-CD1 4.42Å; M143-L147 WeakPolarHBondContact O-CB 3.33Å; M143-L147 WeakPolarHBondContact O-CD1 3.5Å; M143-L147 PolarHBondContact O-N 3.4Å |
| 144 | K | 85.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 17% | 0.17 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 176.8 | -75.8 | -173.4 | 178.3 | -166.8 | 0 | 112.7 | L140 H141 G148 F149 E153 N158 | L140-K144 WeakPolarHBondContact O-CB 3.26Å; L140-K144 WeakPolarHBondContact O-CG 3.46Å; L140-K144 PolarHBondContact O-N 2.81Å; H141-K144 PolarHBondContact O-N 3.29Å; K144-G148 PolarHBondContact O-N 2.62Å; K144-F149 PolarHBondContact O-N 2.94Å; K144-F149 VanDerWaalsContact O-N 3.1Å; K144-E153 PolarHBondContact NZ-O 2.91Å; K144-N158 PolarHBondContact NZ-ND2 3.31Å |
| 145 | Q | 83.8 | Confident | 82.5 | Confident | 90 Ų | 90 | 94.5 Ų | 94.5 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 173.1 | -76.1 | -178.2 | -8.4 | 0 | 0 | 111.8 | H141 K142 M143 L147 G148 T152 | H141-Q145 PolarHBondContact CD2-NE2 2.99Å; H141-Q145 PolarHBondContact NE2-NE2 3.12Å; H141-Q145 WeakPolarHBondContact O-CG 3.49Å; H141-Q145 PolarHBondContact O-N 3.43Å; K142-Q145 WeakPolarHBondContact O-CB 3.34Å; K142-Q145 PolarHBondContact O-N 3.36Å; M143-Q145 VanDerWaalsContact C-N 3.28Å; M143-Q145 PolarHBondContact O-N 3.45Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 3.19Å; Q145-G148 PolarHBondContact O-N 2.96Å; Q145-G148 VanDerWaalsContact O-N 3.11Å; Q145-T152 HydrophobicContact CG-CG2 3.93Å |
| 146 | C | 86 | Confident | 82.1 | Confident | 115 Ų | 115 | 93.1 Ų | 93.1 | 78% | 0.777 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -34.5 | 178.1 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | K142 M143 G148 | K142-C146 PolarHBondContact O-N 2.91Å; K142-C146 PolarHBondContact O-SG 3.07Å; M143-C146 PolarHBondContact O-N 3.22Å; M143-C146 VanDerWaalsContact O-N 3.14Å; C146-G148 PolarHBondContact O-N 3.21Å |
| 147 | L | 85.8 | Confident | 81.9 | Confident | 121 Ų | 121 | 97.9 Ų | 97.9 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.7 | 176.1 | -81.1 | 140.6 | 0 | 0 | 0 | 113.4 | M143 Q145 F149 | M143-L147 HydrophobicContact CB-CD1 4.42Å; M143-L147 WeakPolarHBondContact O-CB 3.33Å; M143-L147 WeakPolarHBondContact O-CD1 3.5Å; M143-L147 PolarHBondContact O-N 3.4Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 3.19Å; L147-F149 HydrophobicContact CB-CD2 3.71Å; L147-F149 HydrophobicContact CB-CE2 3.76Å; L147-F149 PolarHBondContact O-N 2.87Å |
| 148 | G | 78.8 | Confident | 81.9 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 20 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K144 Q145 C146 R150 | K144-G148 PolarHBondContact O-N 2.62Å; Q145-G148 PolarHBondContact O-N 2.96Å; Q145-G148 VanDerWaalsContact O-N 3.11Å; C146-G148 PolarHBondContact O-N 3.21Å; G148-R150 PolarHBondContact O-N 3.47Å |
| 149 | F | 79.1 | Confident | 82 | Confident | 127 Ų | 127 | 89.3 Ų | 89.3 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | trans | -69.8 | 127 | 178.9 | -78.2 | -85.3 | 0 | 0 | 0 | 111.5 | K144 L147 H151 T152 | K144-F149 PolarHBondContact O-N 2.94Å; K144-F149 VanDerWaalsContact O-N 3.1Å; L147-F149 HydrophobicContact CB-CD2 3.71Å; L147-F149 HydrophobicContact CB-CE2 3.76Å; L147-F149 PolarHBondContact O-N 2.87Å; F149-H151 PolarHBondContact O-N 2.78Å; F149-T152 WeakPolarHBondContact O-CG2 3.48Å | ||
| 150 | R | 65.4 | Low | 82.1 | Confident | 261 Ų | 261 | 87.3 Ų | 87.3 | 99% | 0.985 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -63.6 | -23.1 | 177.5 | -111.5 | 175.3 | 161.1 | 176 | -5.7 | 114.1 | G148 | G148-R150 PolarHBondContact O-N 3.47Š|
| 151 | H | 62.3 | Low | 82.3 | Confident | 140 Ų | 140 | 90.7 Ų | 90.7 | 65% | 0.648 | 46% | 0.46 | S | S | * | . | trans | -114.2 | 96.9 | 179 | -132.7 | -74.1 | 0 | 0 | 0 | 110 | F149 E153 | F149-H151 PolarHBondContact O-N 2.78Å; H151-E153 IonicContact CE1-OE2 3.89Å | ||
| 152 | T | 68.6 | Low | 82.5 | Confident | 44 Ų | 44 | 89.8 Ų | 89.8 | 27% | 0.27 | 46% | 0.459 | S | S | . | . | trans | -92 | 6.1 | -175.1 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | H141 Q145 F149 V154 | H141-T152 VanDerWaalsContact CE1-CB 3.44Å; H141-T152 WeakPolarHBondContact CE1-CB 3.29Å; H141-T152 PolarHBondContact CE1-O 2.81Å; H141-T152 PolarHBondContact CE1-OG1 3.28Å; H141-T152 PolarHBondContact ND1-O 3.48Å; Q145-T152 HydrophobicContact CG-CG2 3.93Å; F149-T152 WeakPolarHBondContact O-CG2 3.48Å; T152-V154 PolarHBondContact O-N 3.43Å | ||
| 153 | E | 74.7 | Confident | 82.8 | Confident | 145 Ų | 145 | 86.1 Ų | 86.1 | 68% | 0.678 | 45% | 0.447 | S | S | * | . | trans | -68.2 | 129.5 | 176.7 | -63.9 | -167.6 | 161.5 | 0 | 0 | 111.6 | K144 H151 S155 | K144-E153 PolarHBondContact NZ-O 2.91Å; H151-E153 IonicContact CE1-OE2 3.89Å; E153-S155 PolarHBondContact O-N 3.16Å | ||
| 154 | V | 80.6 | Confident | 83.2 | Confident | 16 Ų | 16 | 86 Ų | 86 | 10% | 0.097 | 44% | 0.443 | C | S | . | . | trans | -93.2 | 91.9 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | R137 L140 H141 T152 M159 | R137-V154 HydrophobicContact CG-CB 4.05Å; R137-V154 HydrophobicContact CG-CG1 3.96Å; R137-V154 HydrophobicContact CG-CG2 4.29Å; R137-V154 PolarHBondContact NH2-O 2.96Å; R137-V154 VanDerWaalsContact NH2-O 3.16Å; L140-V154 HydrophobicContact CB-CG2 4.45Å; L140-V154 HydrophobicContact CD2-CB 4.5Å; L140-V154 HydrophobicContact CD2-CG1 3.68Å; L140-V154 HydrophobicContact CD2-CG2 4.1Å; H141-V154 HydrophobicContact CB-CG2 4.27Å; T152-V154 PolarHBondContact O-N 3.43Å; V154-M159 HydrophobicContact CG1-CG 3.62Å; V154-M159 HydrophobicContact CG1-SD 3.56Å; V154-M159 VanDerWaalsContact CG1-SD 3.56Å | ||
| 155 | S | 85.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 88.9 Ų | 88.9 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | trans | -56.7 | 149.2 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | E153 E157 N158 M159 | E153-S155 PolarHBondContact O-N 3.16Å; S155-E157 PolarHBondContact O-N 3.43Å; S155-E157 PolarHBondContact OG-N 2.95Å; S155-N158 WeakPolarHBondContact O-CB 3.32Å; S155-N158 PolarHBondContact O-N 2.86Å; S155-M159 PolarHBondContact O-N 2.93Å | ||
| 156 | M | 83.1 | Confident | 84.1 | Confident | 85 Ų | 85 | 87.1 Ų | 87.1 | 42% | 0.419 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.1 | -33.7 | 174.7 | -70.3 | -65.2 | -78.2 | 0 | 0 | 112 | N158 M159 V160 | M156-N158 PolarHBondContact O-N 3.29Å; M156-M159 WeakPolarHBondContact O-CB 3.14Å; M156-M159 PolarHBondContact O-N 3.42Å; M156-V160 WeakPolarHBondContact O-CG2 3.45Å; M156-V160 PolarHBondContact O-N 2.94Å |
| 157 | E | 86.1 | Confident | 84.6 | Confident | 136 Ų | 136 | 82.1 Ų | 82.1 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 177.3 | -64.5 | 178 | 171.3 | 0 | 0 | 111.9 | S155 M159 V160 L161 | S155-E157 PolarHBondContact O-N 3.43Å; S155-E157 PolarHBondContact OG-N 2.95Å; E157-M159 VanDerWaalsContact C-N 3.28Å; E157-M159 PolarHBondContact O-N 3.3Å; E157-V160 PolarHBondContact O-N 3.11Å; E157-L161 WeakPolarHBondContact O-CB 3.41Å; E157-L161 PolarHBondContact O-N 2.91Å |
| 158 | N | 88.4 | Confident | 85.1 | Confident | 57 Ų | 57 | 79.3 Ų | 79.3 | 31% | 0.305 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 175.1 | -66.1 | -36.6 | 0 | 0 | 0 | 111.1 | L140 K144 S155 M156 L161 V162 | L140-N158 HydrophobicContact CD2-CB 4.17Å; K144-N158 PolarHBondContact NZ-ND2 3.31Å; S155-N158 WeakPolarHBondContact O-CB 3.32Å; S155-N158 PolarHBondContact O-N 2.86Å; M156-N158 PolarHBondContact O-N 3.29Å; N158-L161 PolarHBondContact O-N 3.07Å; N158-V162 WeakPolarHBondContact O-CB 3.15Å; N158-V162 WeakPolarHBondContact O-CG2 3.42Å; N158-V162 PolarHBondContact O-N 3.34Å |
| 159 | M | 90.1 | Very high | 86 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 5% | 0.049 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 176.8 | -67.4 | -69 | -62.8 | 0 | 0 | 112.1 | N133 V136 R137 V154 S155 M156 E157 V162 G163 L241 | N133-M159 HydrophobicContact CB-CE 4.4Å; N133-M159 VanDerWaalsContact O-CE 3.3Å; N133-M159 WeakPolarHBondContact O-CE 3.36Å; V136-M159 HydrophobicContact CG1-CE 4.36Å; R137-M159 HydrophobicContact CB-CE 4Å; R137-M159 HydrophobicContact CB-SD 3.88Å; R137-M159 HydrophobicContact CG-SD 4.11Å; V154-M159 HydrophobicContact CG1-CG 3.62Å; V154-M159 HydrophobicContact CG1-SD 3.56Å; V154-M159 VanDerWaalsContact CG1-SD 3.56Å; S155-M159 PolarHBondContact O-N 2.93Å; M156-M159 WeakPolarHBondContact O-CB 3.14Å; M156-M159 PolarHBondContact O-N 3.42Å; E157-M159 VanDerWaalsContact C-N 3.28Å; E157-M159 PolarHBondContact O-N 3.3Å; M159-V162 PolarHBondContact O-N 3.35Å; M159-G163 PolarHBondContact O-N 2.95Å; M159-L241 HydrophobicContact CB-CD1 3.71Å; M159-L241 HydrophobicContact CE-CD1 4.19Å |
| 160 | V | 91.4 | Very high | 86.8 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | M156 E157 G163 F164 F238 L241 | M156-V160 WeakPolarHBondContact O-CG2 3.45Å; M156-V160 PolarHBondContact O-N 2.94Å; E157-V160 PolarHBondContact O-N 3.11Å; V160-G163 PolarHBondContact O-N 3.36Å; V160-F164 WeakPolarHBondContact O-CB 3.31Å; V160-F164 PolarHBondContact O-N 2.9Å; V160-F238 HydrophobicContact CG1-CE2 4.37Å; V160-L241 HydrophobicContact CB-CD2 4.34Å; V160-L241 HydrophobicContact CG2-CD2 3.38Å |
| 161 | L | 91.8 | Very high | 88.3 | Confident | 100 Ų | 100 | 61 Ų | 61 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 179 | -178.8 | 64.6 | 0 | 0 | 0 | 111.7 | E157 N158 G163 F164 L165 | E157-L161 WeakPolarHBondContact O-CB 3.41Å; E157-L161 PolarHBondContact O-N 2.91Å; N158-L161 PolarHBondContact O-N 3.07Å; L161-G163 VanDerWaalsContact C-N 3.34Å; L161-G163 PolarHBondContact O-N 3.49Å; L161-F164 PolarHBondContact O-N 2.84Å; L161-L165 HydrophobicContact CD1-CD1 4.45Å; L161-L165 HydrophobicContact CG-CD1 4.22Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.35Å |
| 162 | V | 92.6 | Very high | 90 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V136 L140 N158 M159 L165 S166 | V136-V162 HydrophobicContact CG1-CG1 3.63Å; L140-V162 HydrophobicContact CD1-CG2 4.1Å; N158-V162 WeakPolarHBondContact O-CB 3.15Å; N158-V162 WeakPolarHBondContact O-CG2 3.42Å; N158-V162 PolarHBondContact O-N 3.34Å; M159-V162 PolarHBondContact O-N 3.35Å; V162-L165 PolarHBondContact O-N 3.47Å; V162-S166 VanDerWaalsContact O-CB 3.28Å; V162-S166 WeakPolarHBondContact O-CB 3.24Å; V162-S166 PolarHBondContact O-N 2.87Å |
| 163 | G | 92.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M159 V160 L161 S166 C167 | M159-G163 PolarHBondContact O-N 2.95Å; V160-G163 PolarHBondContact O-N 3.36Å; L161-G163 VanDerWaalsContact C-N 3.34Å; L161-G163 PolarHBondContact O-N 3.49Å; G163-S166 WeakPolarHBondContact O-CB 3.29Å; G163-S166 PolarHBondContact O-N 3.16Å; G163-C167 PolarHBondContact O-N 3.38Å; G163-C167 PolarHBondContact O-SG 3.48Å |
| 164 | F | 93.7 | Very high | 92.4 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.1 | -178.6 | -107.2 | 0 | 0 | 0 | 112.2 | V160 L161 S166 C167 I168 F238 | V160-F164 WeakPolarHBondContact O-CB 3.31Å; V160-F164 PolarHBondContact O-N 2.9Å; L161-F164 PolarHBondContact O-N 2.84Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 2.84Å; F164-C167 WeakPolarHBondContact O-CB 3.39Å; F164-C167 PolarHBondContact O-N 3.36Å; F164-I168 HydrophobicContact CD1-CD1 3.86Å; F164-I168 HydrophobicContact CE1-CD1 3.32Å; F164-I168 HydrophobicContact CE1-CG1 4.44Å; F164-I168 HydrophobicContact CE2-CD1 4.22Å; F164-I168 HydrophobicContact CZ-CD1 3.54Å; F164-I168 HydrophobicContact CZ-CG1 4.41Å; F164-I168 PolarHBondContact O-N 3.29Å; F164-F238 HydrophobicContact CB-CE2 4.13Å; F164-F238 HydrophobicContact CB-CZ 4.42Å; F164-F238 HydrophobicContact CD2-CZ 4.44Å |
| 165 | L | 95.2 | Very high | 93.1 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 175.1 | -69.2 | 174.2 | 0 | 0 | 0 | 112.2 | L161 V162 I168 G169 | L161-L165 HydrophobicContact CD1-CD1 4.45Å; L161-L165 HydrophobicContact CG-CD1 4.22Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.35Å; V162-L165 PolarHBondContact O-N 3.47Å; L165-I168 PolarHBondContact O-N 2.93Å; L165-G169 PolarHBondContact O-N 3.43Å |
| 166 | S | 95 | Very high | 93.7 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.2 | -174 | 0 | 0 | 0 | 0 | 112 | V162 G163 F164 G169 T170 | V162-S166 VanDerWaalsContact O-CB 3.28Å; V162-S166 WeakPolarHBondContact O-CB 3.24Å; V162-S166 PolarHBondContact O-N 2.87Å; G163-S166 WeakPolarHBondContact O-CB 3.29Å; G163-S166 PolarHBondContact O-N 3.16Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 2.84Å; S166-G169 PolarHBondContact O-N 3.1Å; S166-T170 WeakPolarHBondContact O-CB 3.39Å; S166-T170 PolarHBondContact O-N 3.28Å; S166-T170 PolarHBondContact O-OG1 3.16Å |
| 167 | C | 95.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -49.8 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 111 | G163 F164 G169 T170 L171 I235 F238 | G163-C167 PolarHBondContact O-N 3.38Å; G163-C167 PolarHBondContact O-SG 3.48Å; F164-C167 WeakPolarHBondContact O-CB 3.39Å; F164-C167 PolarHBondContact O-N 3.36Å; C167-G169 VanDerWaalsContact C-N 3.35Å; C167-G169 PolarHBondContact O-N 3.14Å; C167-T170 PolarHBondContact O-N 2.96Å; C167-L171 WeakPolarHBondContact O-CG 3.24Å; C167-L171 PolarHBondContact O-N 3.19Å; C167-I235 HydrophobicContact CB-CD1 3.81Å; C167-F238 VanDerWaalsContact SG-CB 3.58Å |
| 168 | I | 96.5 | Very high | 94.6 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.9 | -67.1 | 173.8 | 0 | 0 | 0 | 110.7 | F164 L165 T170 L171 C172 | F164-I168 HydrophobicContact CD1-CD1 3.86Å; F164-I168 HydrophobicContact CE1-CD1 3.32Å; F164-I168 HydrophobicContact CE1-CG1 4.44Å; F164-I168 HydrophobicContact CE2-CD1 4.22Å; F164-I168 HydrophobicContact CZ-CD1 3.54Å; F164-I168 HydrophobicContact CZ-CG1 4.41Å; F164-I168 PolarHBondContact O-N 3.29Å; L165-I168 PolarHBondContact O-N 2.93Å; I168-T170 VanDerWaalsContact C-N 3.32Å; I168-T170 PolarHBondContact O-N 3.08Å; I168-L171 PolarHBondContact O-N 3.39Å; I168-C172 PolarHBondContact O-N 2.8Å; I168-C172 PolarHBondContact O-SG 3.34Å |
| 169 | G | 96.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.7 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L165 S166 C167 C172 V173 | L165-G169 PolarHBondContact O-N 3.43Å; S166-G169 PolarHBondContact O-N 3.1Å; C167-G169 VanDerWaalsContact C-N 3.35Å; C167-G169 PolarHBondContact O-N 3.14Å; G169-C172 PolarHBondContact O-N 3.02Å; G169-V173 WeakPolarHBondContact O-CB 3.24Å; G169-V173 VanDerWaalsContact O-CG2 3.29Å; G169-V173 WeakPolarHBondContact O-CG2 3.27Å; G169-V173 PolarHBondContact O-N 2.85Å |
| 170 | T | 96.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 47 Ų | 47 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | S166 C167 I168 V173 G174 L197 Y227 | S166-T170 WeakPolarHBondContact O-CB 3.39Å; S166-T170 PolarHBondContact O-N 3.28Å; S166-T170 PolarHBondContact O-OG1 3.16Å; C167-T170 PolarHBondContact O-N 2.96Å; I168-T170 VanDerWaalsContact C-N 3.32Å; I168-T170 PolarHBondContact O-N 3.08Å; T170-V173 PolarHBondContact O-N 3.4Å; T170-G174 PolarHBondContact O-N 2.94Å; T170-L197 HydrophobicContact CG2-CD1 3.98Å; T170-Y227 HydrophobicContact CG2-CE2 4.23Å; T170-Y227 PolarHBondContact O-OH 2.87Å |
| 171 | L | 97.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.6 | -66.6 | 172.2 | 0 | 0 | 0 | 112.1 | C167 I168 G174 A175 Y190 C193 F194 L197 | C167-L171 WeakPolarHBondContact O-CG 3.24Å; C167-L171 PolarHBondContact O-N 3.19Å; I168-L171 PolarHBondContact O-N 3.39Å; L171-G174 PolarHBondContact O-N 3Å; L171-A175 VanDerWaalsContact O-CB 3.25Å; L171-A175 WeakPolarHBondContact O-CB 3.41Å; L171-A175 PolarHBondContact O-N 3.42Å; L171-Y190 HydrophobicContact CB-CD2 4.21Å; L171-Y190 HydrophobicContact CB-CE2 3.56Å; L171-Y190 HydrophobicContact CD1-CE1 4.33Å; L171-Y190 WeakPolarHBondContact CD1-OH 3.41Å; L171-C193 HydrophobicContact CD2-CB 3.91Å; L171-F194 HydrophobicContact CD1-CD2 4.07Å; L171-F194 HydrophobicContact CD2-CB 4.27Å; L171-L197 HydrophobicContact CD2-CD1 4Å |
| 172 | C | 97.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 32% | 0.324 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 177.9 | -70 | 0 | 0 | 0 | 0 | 112.4 | I168 G169 A175 A176 | I168-C172 PolarHBondContact O-N 2.8Å; I168-C172 PolarHBondContact O-SG 3.34Å; G169-C172 PolarHBondContact O-N 3.02Å; C172-A175 PolarHBondContact O-N 2.89Å; C172-A176 WeakPolarHBondContact O-CB 3.33Å; C172-A176 PolarHBondContact O-N 3.09Å |
| 173 | V | 96.8 | Very high | 94.5 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 58% | 0.576 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | G169 T170 A176 A177 | G169-V173 WeakPolarHBondContact O-CB 3.24Å; G169-V173 VanDerWaalsContact O-CG2 3.29Å; G169-V173 WeakPolarHBondContact O-CG2 3.27Å; G169-V173 PolarHBondContact O-N 2.85Å; T170-V173 PolarHBondContact O-N 3.4Å; V173-A176 PolarHBondContact O-N 3.19Å; V173-A177 PolarHBondContact O-N 3.4Å; V173-A177 VanDerWaalsContact O-N 3.08Å |
| 174 | G | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T170 L171 A176 A177 F178 | T170-G174 PolarHBondContact O-N 2.94Å; L171-G174 PolarHBondContact O-N 3Å; G174-A176 VanDerWaalsContact C-N 3.33Å; G174-A176 PolarHBondContact O-N 3.07Å; G174-A177 PolarHBondContact O-N 3.49Å; G174-A177 VanDerWaalsContact O-N 3.14Å; G174-F178 WeakPolarHBondContact O-CD2 3.01Å; G174-F178 PolarHBondContact O-N 3.16Å |
| 175 | A | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L171 C172 S179 F186 A189 Y190 | L171-A175 VanDerWaalsContact O-CB 3.25Å; L171-A175 WeakPolarHBondContact O-CB 3.41Å; L171-A175 PolarHBondContact O-N 3.42Å; C172-A175 PolarHBondContact O-N 2.89Å; A175-S179 WeakPolarHBondContact O-CB 3.45Å; A175-S179 PolarHBondContact O-N 3.45Å; A175-S179 PolarHBondContact O-OG 3.45Å; A175-F186 HydrophobicContact CB-CD2 3.98Å; A175-F186 HydrophobicContact CB-CE1 4.3Å; A175-F186 HydrophobicContact CB-CE2 3.55Å; A175-F186 HydrophobicContact CB-CZ 3.73Å; A175-A189 HydrophobicContact CB-CB 4.3Å; A175-A189 VanDerWaalsContact O-CB 3.32Å; A175-A189 WeakPolarHBondContact O-CB 3.31Å; A175-Y190 HydrophobicContact CB-CD2 3.95Å; A175-Y190 HydrophobicContact CB-CG 4.35Å |
| 176 | A | 96.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C172 V173 G174 S179 H180 F186 | C172-A176 WeakPolarHBondContact O-CB 3.33Å; C172-A176 PolarHBondContact O-N 3.09Å; V173-A176 PolarHBondContact O-N 3.19Å; G174-A176 VanDerWaalsContact C-N 3.33Å; G174-A176 PolarHBondContact O-N 3.07Å; A176-S179 PolarHBondContact O-OG 2.95Å; A176-H180 PolarHBondContact O-N 3.33Å; A176-F186 HydrophobicContact CB-CE2 4.42Å |
| 177 | A | 94.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -52 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V173 G174 S179 H180 F181 F223 | V173-A177 PolarHBondContact O-N 3.4Å; V173-A177 VanDerWaalsContact O-N 3.08Å; G174-A177 PolarHBondContact O-N 3.49Å; G174-A177 VanDerWaalsContact O-N 3.14Å; A177-S179 PolarHBondContact O-N 3.44Å; A177-H180 PolarHBondContact O-N 2.79Å; A177-F181 HydrophobicContact CB-CD2 4.43Å; A177-F181 HydrophobicContact CB-CE2 4.44Å; A177-F181 WeakPolarHBondContact O-CD2 3.27Å; A177-F181 PolarHBondContact O-N 3.47Å; A177-F223 HydrophobicContact CB-CE1 3.73Å; A177-F223 HydrophobicContact CB-CZ 3.46Å; A177-F223 VanDerWaalsContact CB-CZ 3.46Å |
| 178 | F | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -31.9 | -177.6 | -69.5 | -65.8 | 0 | 0 | 0 | 112.8 | G174 H180 E182 A189 Y192 C193 A207 Y220 F223 Y227 | G174-F178 WeakPolarHBondContact O-CD2 3.01Å; G174-F178 PolarHBondContact O-N 3.16Å; F178-H180 VanDerWaalsContact C-N 3.28Å; F178-H180 PolarHBondContact O-N 3.03Å; F178-E182 WeakPolarHBondContact O-CA 3.34Å; F178-E182 VanDerWaalsContact O-CB 3.28Å; F178-E182 WeakPolarHBondContact O-CB 3.21Å; F178-E182 PolarHBondContact O-N 3.46Å; F178-A189 HydrophobicContact CB-CB 4.16Å; F178-Y192 HydrophobicContact CB-CD1 4.49Å; F178-Y192 HydrophobicContact CD1-CE1 4.07Å; F178-Y192 HydrophobicContact CD2-CD1 4.01Å; F178-Y192 AromaticContact CD2-CE1 3.76Å; F178-Y192 HydrophobicContact CD2-CE1 3.76Å; F178-Y192 HydrophobicContact CE1-CE1 4.1Å; F178-Y192 HydrophobicContact CE2-CD1 4.45Å; F178-Y192 AromaticContact CE2-CE1 3.8Å; F178-Y192 HydrophobicContact CE2-CE1 3.8Å; F178-Y192 HydrophobicContact CG-CD1 4.15Å; F178-Y192 AromaticContact CG-CE1 3.91Å; F178-Y192 HydrophobicContact CG-CE1 3.91Å; F178-Y192 AromaticContact CZ-CE1 3.97Å; F178-Y192 HydrophobicContact CZ-CE1 3.97Å; F178-C193 VanDerWaalsContact CD2-SG 3.55Å; F178-A207 HydrophobicContact CD1-CB 3.99Å; F178-A207 HydrophobicContact CE1-CB 3.77Å; F178-Y220 HydrophobicContact CD1-CE2 4.3Å; F178-Y220 HydrophobicContact CE1-CE2 4.16Å; F178-F223 HydrophobicContact CE1-CE1 4.46Å; F178-F223 HydrophobicContact CZ-CE1 4.24Å; F178-Y227 AromaticContact CE2-CD1 3.53Å; F178-Y227 HydrophobicContact CE2-CD1 3.53Å; F178-Y227 AromaticContact CE2-CE1 3.7Å; F178-Y227 HydrophobicContact CE2-CE1 3.7Å; F178-Y227 HydrophobicContact CE2-CG 4Å; F178-Y227 AromaticContact CZ-CD1 3.93Å; F178-Y227 HydrophobicContact CZ-CD1 3.93Å; F178-Y227 HydrophobicContact CZ-CG 4.32Å |
| 179 | S | 95.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 171.6 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | A175 A176 A177 G183 W184 | A175-S179 WeakPolarHBondContact O-CB 3.45Å; A175-S179 PolarHBondContact O-N 3.45Å; A175-S179 PolarHBondContact O-OG 3.45Å; A176-S179 PolarHBondContact O-OG 2.95Å; A177-S179 PolarHBondContact O-N 3.44Å; S179-G183 CarbonylContact O-C 3.59Å; S179-G183 WeakPolarHBondContact O-CA 3.48Å; S179-G183 PolarHBondContact O-N 2.81Å; S179-W184 WeakPolarHBondContact CA-O 3.32Å; S179-W184 VanDerWaalsContact CB-O 3.29Å; S179-W184 WeakPolarHBondContact CB-O 3.42Å; S179-W184 PolarHBondContact O-N 2.9Å |
| 180 | H | 90.9 | Very high | 94.9 | Very high | 152 Ų | 152 | 52.5 Ų | 52.5 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.9 | -47.5 | 176.8 | -177.7 | -88 | 0 | 0 | 0 | 112.5 | A176 A177 F178 | A176-H180 PolarHBondContact O-N 3.33Å; A177-H180 PolarHBondContact O-N 2.79Å; F178-H180 VanDerWaalsContact C-N 3.28Å; F178-H180 PolarHBondContact O-N 3.03Å |
| 181 | F | 88.8 | Confident | 95 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.8 | -43.2 | -177.1 | -72.3 | -64.7 | 0 | 0 | 0 | 113.3 | A177 Y220 F223 | A177-F181 HydrophobicContact CB-CD2 4.43Å; A177-F181 HydrophobicContact CB-CE2 4.44Å; A177-F181 WeakPolarHBondContact O-CD2 3.27Å; A177-F181 PolarHBondContact O-N 3.47Å; F181-Y220 HydrophobicContact CB-CD2 4.1Å; F181-Y220 HydrophobicContact CB-CE1 4.48Å; F181-Y220 HydrophobicContact CB-CE2 3.55Å; F181-Y220 HydrophobicContact CD1-CD2 4.01Å; F181-Y220 HydrophobicContact CD1-CE2 4.32Å; F181-Y220 HydrophobicContact CD1-CG 4.48Å; F181-Y220 AromaticContact CD2-CD2 3.8Å; F181-Y220 HydrophobicContact CD2-CD2 3.8Å; F181-Y220 AromaticContact CD2-CE2 3.68Å; F181-Y220 HydrophobicContact CD2-CE2 3.68Å; F181-Y220 HydrophobicContact CE1-CD2 4.4Å; F181-Y220 HydrophobicContact CE2-CD2 4.22Å; F181-Y220 HydrophobicContact CE2-CE2 4.49Å; F181-Y220 AromaticContact CG-CD2 3.71Å; F181-Y220 HydrophobicContact CG-CD2 3.71Å; F181-Y220 AromaticContact CG-CE2 3.6Å; F181-Y220 HydrophobicContact CG-CE2 3.6Å; F181-F223 HydrophobicContact CE2-CD1 4.5Å; F181-F223 HydrophobicContact CE2-CE1 4.47Å |
| 182 | E | 88.1 | Confident | 95 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -93.8 | -1.4 | -177.5 | -62.2 | -69.4 | 168.2 | 0 | 0 | 112.6 | F178 W184 A207 L208 K210 Y220 | F178-E182 WeakPolarHBondContact O-CA 3.34Å; F178-E182 VanDerWaalsContact O-CB 3.28Å; F178-E182 WeakPolarHBondContact O-CB 3.21Å; F178-E182 PolarHBondContact O-N 3.46Å; E182-W184 HydrophobicContact CB-CD2 3.51Å; E182-W184 VanDerWaalsContact CB-CE2 3.49Å; E182-W184 HydrophobicContact CB-CE3 3.88Å; E182-W184 HydrophobicContact CB-CG 3.91Å; E182-W184 HydrophobicContact CB-CH2 4.21Å; E182-W184 HydrophobicContact CB-CZ2 3.86Å; E182-W184 HydrophobicContact CB-CZ3 4.21Å; E182-W184 HydrophobicContact CG-CD2 4.27Å; E182-W184 HydrophobicContact CG-CE3 4.26Å; E182-W184 HydrophobicContact CG-CH2 3.92Å; E182-W184 HydrophobicContact CG-CZ2 3.91Å; E182-W184 HydrophobicContact CG-CZ3 4.09Å; E182-W184 PolarHBondContact O-N 2.88Å; E182-W184 VanDerWaalsContact O-N 3.16Å; E182-A207 WeakPolarHBondContact OE1-CA 3.31Å; E182-L208 PolarHBondContact OE1-N 3.32Å; E182-K210 WeakPolarHBondContact O-CE 3.28Å; E182-K210 PolarHBondContact O-NZ 3.34Å; E182-Y220 VanDerWaalsContact CG-OH 3.31Å; E182-Y220 WeakPolarHBondContact CG-OH 3.38Å; E182-Y220 PolarHBondContact OE1-OH 3.45Å |
| 183 | G | 89.1 | Confident | 94.9 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | trans | 59.5 | 24.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S179 | S179-G183 CarbonylContact O-C 3.59Å; S179-G183 WeakPolarHBondContact O-CA 3.48Å; S179-G183 PolarHBondContact O-N 2.81Å | ||
| 184 | W | 94.1 | Very high | 95 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 19% | 0.186 | 27% | 0.266 | C | S | . | . | trans | -81.5 | 159.8 | 175.8 | -62.6 | -23.9 | 0 | 0 | 0 | 110.8 | S179 E182 H188 A189 Y192 F205 | S179-W184 WeakPolarHBondContact CA-O 3.32Å; S179-W184 VanDerWaalsContact CB-O 3.29Å; S179-W184 WeakPolarHBondContact CB-O 3.42Å; S179-W184 PolarHBondContact O-N 2.9Å; E182-W184 HydrophobicContact CB-CD2 3.51Å; E182-W184 VanDerWaalsContact CB-CE2 3.49Å; E182-W184 HydrophobicContact CB-CE3 3.88Å; E182-W184 HydrophobicContact CB-CG 3.91Å; E182-W184 HydrophobicContact CB-CH2 4.21Å; E182-W184 HydrophobicContact CB-CZ2 3.86Å; E182-W184 HydrophobicContact CB-CZ3 4.21Å; E182-W184 HydrophobicContact CG-CD2 4.27Å; E182-W184 HydrophobicContact CG-CE3 4.26Å; E182-W184 HydrophobicContact CG-CH2 3.92Å; E182-W184 HydrophobicContact CG-CZ2 3.91Å; E182-W184 HydrophobicContact CG-CZ3 4.09Å; E182-W184 PolarHBondContact O-N 2.88Å; E182-W184 VanDerWaalsContact O-N 3.16Å; W184-H188 HydrophobicContact CB-CB 4.25Å; W184-A189 HydrophobicContact CE3-CB 4.41Å; W184-Y192 HydrophobicContact CH2-CD2 4.49Å; W184-Y192 HydrophobicContact CH2-CG 4.41Å; W184-Y192 AromaticContact CZ3-CD1 3.83Å; W184-Y192 HydrophobicContact CZ3-CD1 3.83Å; W184-Y192 HydrophobicContact CZ3-CD2 4.27Å; W184-Y192 HydrophobicContact CZ3-CE1 4.39Å; W184-Y192 AromaticContact CZ3-CG 3.76Å; W184-Y192 HydrophobicContact CZ3-CG 3.76Å; W184-F205 AromaticContact CD2-CD1 3.86Å; W184-F205 HydrophobicContact CD2-CD1 3.86Å; W184-F205 HydrophobicContact CD2-CE1 4.34Å; W184-F205 AromaticContact CE2-CD1 3.73Å; W184-F205 HydrophobicContact CE3-CD1 4.15Å; W184-F205 HydrophobicContact CG-CD1 4.38Å; W184-F205 HydrophobicContact CG-CE1 4.39Å; W184-F205 HydrophobicContact CH2-CB 4.06Å; W184-F205 HydrophobicContact CH2-CD1 4.23Å; W184-F205 HydrophobicContact CZ2-CB 4.42Å; W184-F205 AromaticContact CZ2-CD1 3.95Å; W184-F205 HydrophobicContact CZ2-CD1 3.95Å; W184-F205 HydrophobicContact CZ3-CB 4.31Å; W184-F205 HydrophobicContact CZ3-CD1 4.33Å | ||
| 185 | S | 96.4 | Very high | 95 | Very high | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | trans | -63.1 | 151 | 167 | 75.9 | 0 | 0 | 0 | 0 | 109.8 | F187 H188 A189 | S185-F187 PolarHBondContact O-N 2.98Å; S185-H188 PolarHBondContact O-N 3.36Å; S185-H188 VanDerWaalsContact O-N 3.1Å; S185-H188 PolarHBondContact OG-CD2 2.84Å; S185-H188 PolarHBondContact OG-N 3.29Å; S185-A189 PolarHBondContact O-N 3.48Å | ||
| 186 | F | 96.8 | Very high | 95 | Very high | 107 Ų | 107 | 52 Ų | 52 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.1 | -38.4 | 177.1 | -177.6 | -91.5 | 0 | 0 | 0 | 111.7 | A175 A176 A189 Y190 | A175-F186 HydrophobicContact CB-CD2 3.98Å; A175-F186 HydrophobicContact CB-CE1 4.3Å; A175-F186 HydrophobicContact CB-CE2 3.55Å; A175-F186 HydrophobicContact CB-CZ 3.73Å; A176-F186 HydrophobicContact CB-CE2 4.42Å; F186-A189 PolarHBondContact O-N 3.06Å; F186-Y190 HydrophobicContact CE1-CD2 4.15Å; F186-Y190 HydrophobicContact CZ-CD2 4.35Å; F186-Y190 VanDerWaalsContact O-CB 3.26Å; F186-Y190 WeakPolarHBondContact O-CB 3.33Å; F186-Y190 PolarHBondContact O-N 2.74Å |
| 187 | F | 97.3 | Very high | 95 | Very high | 148 Ų | 148 | 49.7 Ų | 49.7 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.1 | -47 | 176.9 | 179 | -100.2 | 0 | 0 | 0 | 112.6 | S185 A189 Y190 Y191 | S185-F187 PolarHBondContact O-N 2.98Å; F187-A189 VanDerWaalsContact C-N 3.35Å; F187-A189 PolarHBondContact O-N 2.9Å; F187-Y190 PolarHBondContact O-N 2.79Å; F187-Y191 WeakPolarHBondContact O-CB 3.17Å; F187-Y191 PolarHBondContact O-N 3.02Å |
| 188 | H | 96.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 177.3 | -71.3 | -47.8 | 0 | 0 | 0 | 112 | W184 S185 Y191 Y192 F205 | W184-H188 HydrophobicContact CB-CB 4.25Å; S185-H188 PolarHBondContact O-N 3.36Å; S185-H188 VanDerWaalsContact O-N 3.1Å; S185-H188 PolarHBondContact OG-CD2 2.84Å; S185-H188 PolarHBondContact OG-N 3.29Å; H188-Y191 PolarHBondContact O-N 2.61Å; H188-Y192 WeakPolarHBondContact O-CB 3.42Å; H188-Y192 PolarHBondContact O-N 3.37Å; H188-F205 HydrophobicContact CB-CD1 4.42Å; H188-F205 HydrophobicContact CB-CE1 3.77Å; H188-F205 HydrophobicContact CB-CZ 3.88Å; H188-F205 AromaticContact CG-CE1 3.96Å; H188-F205 AromaticContact CG-CZ 3.62Å; H188-F205 AromaticContact ND1-CE2 3.97Å; H188-F205 AromaticContact ND1-CZ 3.54Å |
| 189 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A175 F178 W184 S185 F186 F187 Y192 C193 | A175-A189 HydrophobicContact CB-CB 4.3Å; A175-A189 VanDerWaalsContact O-CB 3.32Å; A175-A189 WeakPolarHBondContact O-CB 3.31Å; F178-A189 HydrophobicContact CB-CB 4.16Å; W184-A189 HydrophobicContact CE3-CB 4.41Å; S185-A189 PolarHBondContact O-N 3.48Å; F186-A189 PolarHBondContact O-N 3.06Å; F187-A189 VanDerWaalsContact C-N 3.35Å; F187-A189 PolarHBondContact O-N 2.9Å; A189-Y192 WeakPolarHBondContact O-CB 3.31Å; A189-Y192 PolarHBondContact O-N 3.45Å; A189-C193 PolarHBondContact O-N 2.82Å; A189-C193 PolarHBondContact O-SG 3.17Å |
| 190 | Y | 97.8 | Very high | 95.2 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 26% | 0.255 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 174.9 | -168.8 | -82.4 | 0 | 0 | 0 | 111.8 | L171 A175 F186 F187 C193 F194 | L171-Y190 HydrophobicContact CB-CD2 4.21Å; L171-Y190 HydrophobicContact CB-CE2 3.56Å; L171-Y190 HydrophobicContact CD1-CE1 4.33Å; L171-Y190 WeakPolarHBondContact CD1-OH 3.41Å; A175-Y190 HydrophobicContact CB-CD2 3.95Å; A175-Y190 HydrophobicContact CB-CG 4.35Å; F186-Y190 HydrophobicContact CE1-CD2 4.15Å; F186-Y190 HydrophobicContact CZ-CD2 4.35Å; F186-Y190 VanDerWaalsContact O-CB 3.26Å; F186-Y190 WeakPolarHBondContact O-CB 3.33Å; F186-Y190 PolarHBondContact O-N 2.74Å; F187-Y190 PolarHBondContact O-N 2.79Å; Y190-C193 PolarHBondContact O-N 3.11Å; Y190-F194 WeakPolarHBondContact O-CB 3.29Å; Y190-F194 PolarHBondContact O-N 3.27Å |
| 191 | Y | 97.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 49 Ų | 49 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 174 | 166.7 | -94.4 | 0 | 0 | 0 | 111.4 | F187 H188 C193 F194 I195 F202 D204 F205 | F187-Y191 WeakPolarHBondContact O-CB 3.17Å; F187-Y191 PolarHBondContact O-N 3.02Å; H188-Y191 PolarHBondContact O-N 2.61Å; Y191-C193 PolarHBondContact O-N 3.02Å; Y191-F194 PolarHBondContact O-N 2.85Å; Y191-I195 HydrophobicContact CD1-CG1 4.47Å; Y191-I195 HydrophobicContact CD2-CG1 3.95Å; Y191-I195 HydrophobicContact CE1-CG1 4.13Å; Y191-I195 HydrophobicContact CE2-CD1 4Å; Y191-I195 HydrophobicContact CE2-CG1 3.58Å; Y191-I195 HydrophobicContact CG-CG1 4.4Å; Y191-I195 WeakPolarHBondContact O-CB 3.31Å; Y191-I195 WeakPolarHBondContact O-CG1 3.11Å; Y191-I195 PolarHBondContact O-N 3.42Å; Y191-F202 WeakPolarHBondContact OH-CD2 3.2Å; Y191-D204 WeakPolarHBondContact CE1-OD2 3.35Å; Y191-D204 PolarHBondContact OH-OD2 3.15Å; Y191-F205 HydrophobicContact CD1-CD2 4.09Å; Y191-F205 HydrophobicContact CD1-CE2 4.49Å; Y191-F205 AromaticContact CE1-CD2 3.99Å; Y191-F205 HydrophobicContact CE1-CD2 3.99Å; Y191-F205 HydrophobicContact CE1-CE2 4.47Å |
| 192 | Y | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.3 | -51.8 | 173.6 | 163.8 | -106.3 | 0 | 0 | 0 | 111.3 | Y96 F178 W184 H188 A189 F194 I195 T196 F205 A207 | Y96-Y192 HydrophobicContact CE1-CE2 4.12Å; Y96-Y192 AromaticContact CZ-CE2 3.99Å; Y96-Y192 WeakPolarHBondContact OH-CE2 3.32Å; Y96-Y192 PolarHBondContact OH-OH 2.94Å; F178-Y192 HydrophobicContact CB-CD1 4.49Å; F178-Y192 HydrophobicContact CD1-CE1 4.07Å; F178-Y192 HydrophobicContact CD2-CD1 4.01Å; F178-Y192 AromaticContact CD2-CE1 3.76Å; F178-Y192 HydrophobicContact CD2-CE1 3.76Å; F178-Y192 HydrophobicContact CE1-CE1 4.1Å; F178-Y192 HydrophobicContact CE2-CD1 4.45Å; F178-Y192 AromaticContact CE2-CE1 3.8Å; F178-Y192 HydrophobicContact CE2-CE1 3.8Å; F178-Y192 HydrophobicContact CG-CD1 4.15Å; F178-Y192 AromaticContact CG-CE1 3.91Å; F178-Y192 HydrophobicContact CG-CE1 3.91Å; F178-Y192 AromaticContact CZ-CE1 3.97Å; F178-Y192 HydrophobicContact CZ-CE1 3.97Å; W184-Y192 HydrophobicContact CH2-CD2 4.49Å; W184-Y192 HydrophobicContact CH2-CG 4.41Å; W184-Y192 AromaticContact CZ3-CD1 3.83Å; W184-Y192 HydrophobicContact CZ3-CD1 3.83Å; W184-Y192 HydrophobicContact CZ3-CD2 4.27Å; W184-Y192 HydrophobicContact CZ3-CE1 4.39Å; W184-Y192 AromaticContact CZ3-CG 3.76Å; W184-Y192 HydrophobicContact CZ3-CG 3.76Å; H188-Y192 WeakPolarHBondContact O-CB 3.42Å; H188-Y192 PolarHBondContact O-N 3.37Å; A189-Y192 WeakPolarHBondContact O-CB 3.31Å; A189-Y192 PolarHBondContact O-N 3.45Å; Y192-F194 VanDerWaalsContact C-N 3.31Å; Y192-F194 PolarHBondContact O-N 2.8Å; Y192-I195 PolarHBondContact O-N 2.86Å; Y192-T196 WeakPolarHBondContact CE2-OG1 3.24Å; Y192-T196 WeakPolarHBondContact O-CB 3.28Å; Y192-T196 PolarHBondContact O-N 2.94Å; Y192-T196 PolarHBondContact O-OG1 3.42Å; Y192-F205 HydrophobicContact CD2-CB 4.04Å; Y192-F205 VanDerWaalsContact CD2-O 3.24Å; Y192-F205 WeakPolarHBondContact CD2-O 3.32Å; Y192-F205 HydrophobicContact CG-CB 4.38Å; Y192-A207 HydrophobicContact CE1-CB 4.17Å; Y192-A207 VanDerWaalsContact OH-CB 3.31Å; Y192-A207 WeakPolarHBondContact OH-CB 3.48Å |
| 193 | C | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 178.3 | -72.6 | 0 | 0 | 0 | 0 | 112.5 | L171 F178 A189 Y190 Y191 L197 Y227 | L171-C193 HydrophobicContact CD2-CB 3.91Å; F178-C193 VanDerWaalsContact CD2-SG 3.55Å; A189-C193 PolarHBondContact O-N 2.82Å; A189-C193 PolarHBondContact O-SG 3.17Å; Y190-C193 PolarHBondContact O-N 3.11Å; Y191-C193 PolarHBondContact O-N 3.02Å; C193-L197 WeakPolarHBondContact O-CB 3.37Å; C193-L197 VanDerWaalsContact O-CG 3.28Å; C193-L197 WeakPolarHBondContact O-CG 3.33Å; C193-L197 PolarHBondContact O-N 3.03Å; C193-Y227 WeakPolarHBondContact CB-OH 3.41Å; C193-Y227 PolarHBondContact SG-OH 2.78Å |
| 194 | F | 97.6 | Very high | 95.9 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -57.2 | 178 | -178.9 | -95.8 | 0 | 0 | 0 | 111.1 | L171 Y190 Y191 Y192 T196 L197 T198 | L171-F194 HydrophobicContact CD1-CD2 4.07Å; L171-F194 HydrophobicContact CD2-CB 4.27Å; Y190-F194 WeakPolarHBondContact O-CB 3.29Å; Y190-F194 PolarHBondContact O-N 3.27Å; Y191-F194 PolarHBondContact O-N 2.85Å; Y192-F194 VanDerWaalsContact C-N 3.31Å; Y192-F194 PolarHBondContact O-N 2.8Å; F194-T196 PolarHBondContact O-N 3.36Å; F194-L197 PolarHBondContact O-N 3.45Å; F194-T198 HydrophobicContact CD1-CG2 4.46Å; F194-T198 HydrophobicContact CD2-CG2 4.28Å; F194-T198 HydrophobicContact CE1-CG2 4.19Å; F194-T198 HydrophobicContact CE2-CG2 3.99Å; F194-T198 HydrophobicContact CZ-CG2 3.94Å; F194-T198 WeakPolarHBondContact O-CG2 3.4Å; F194-T198 PolarHBondContact O-N 2.87Å; F194-T198 PolarHBondContact O-OG1 3.38Å |
| 195 | I | 97.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -33.6 | -179.9 | -66.7 | -57.5 | 0 | 0 | 0 | 112.3 | Y191 Y192 T198 I200 G201 F202 | Y191-I195 HydrophobicContact CD1-CG1 4.47Å; Y191-I195 HydrophobicContact CD2-CG1 3.95Å; Y191-I195 HydrophobicContact CE1-CG1 4.13Å; Y191-I195 HydrophobicContact CE2-CD1 4Å; Y191-I195 HydrophobicContact CE2-CG1 3.58Å; Y191-I195 HydrophobicContact CG-CG1 4.4Å; Y191-I195 WeakPolarHBondContact O-CB 3.31Å; Y191-I195 WeakPolarHBondContact O-CG1 3.11Å; Y191-I195 PolarHBondContact O-N 3.42Å; Y192-I195 PolarHBondContact O-N 2.86Å; I195-T198 PolarHBondContact O-OG1 2.96Å; I195-I200 HydrophobicContact CD1-CB 4.35Å; I195-I200 HydrophobicContact CD1-CD1 3.94Å; I195-I200 HydrophobicContact CD1-CG2 4.29Å; I195-I200 HydrophobicContact CG2-CB 4.07Å; I195-I200 HydrophobicContact CG2-CG2 4.18Å; I195-I200 PolarHBondContact O-N 2.92Å; I195-G201 PolarHBondContact O-N 3.1Å; I195-G201 VanDerWaalsContact O-N 3.07Å; I195-F202 HydrophobicContact CD1-CD2 3.91Å; I195-F202 HydrophobicContact CD1-CE2 3.64Å; I195-F202 HydrophobicContact CG1-CD2 4.17Å; I195-F202 HydrophobicContact CG1-CE2 4.38Å; I195-F202 HydrophobicContact CG2-CB 4.43Å; I195-F202 HydrophobicContact CG2-CD2 3.86Å; I195-F202 HydrophobicContact CG2-CG 4.34Å |
| 196 | T | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -54.1 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | I94 Y96 Y192 F194 T198 T199 I228 | I94-T196 HydrophobicContact CD1-CG2 4.13Å; Y96-T196 WeakPolarHBondContact OH-CB 3.5Å; Y96-T196 WeakPolarHBondContact OH-CG2 3.49Å; Y96-T196 PolarHBondContact OH-OG1 3.41Å; Y192-T196 WeakPolarHBondContact CE2-OG1 3.24Å; Y192-T196 WeakPolarHBondContact O-CB 3.28Å; Y192-T196 PolarHBondContact O-N 2.94Å; Y192-T196 PolarHBondContact O-OG1 3.42Å; F194-T196 PolarHBondContact O-N 3.36Å; T196-T198 VanDerWaalsContact C-N 3.32Å; T196-T198 PolarHBondContact O-N 2.98Å; T196-T199 PolarHBondContact O-N 3.41Å; T196-I228 HydrophobicContact CG2-CD1 4.45Å; T196-I228 HydrophobicContact CG2-CG1 4.01Å |
| 197 | L | 96.1 | Very high | 95 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -77.5 | -19 | -173 | -63.7 | -172.7 | 0 | 0 | 0 | 113 | T170 L171 C193 F194 Y227 L232 I235 | T170-L197 HydrophobicContact CG2-CD1 3.98Å; L171-L197 HydrophobicContact CD2-CD1 4Å; C193-L197 WeakPolarHBondContact O-CB 3.37Å; C193-L197 VanDerWaalsContact O-CG 3.28Å; C193-L197 WeakPolarHBondContact O-CG 3.33Å; C193-L197 PolarHBondContact O-N 3.03Å; F194-L197 PolarHBondContact O-N 3.45Å; L197-Y227 HydrophobicContact CD1-CE1 4.36Å; L197-Y227 HydrophobicContact CD2-CE1 4.3Å; L197-Y227 HydrophobicContact CG-CE1 4.41Å; L197-L232 HydrophobicContact CD2-CG 4.25Å; L197-L232 WeakPolarHBondContact O-CD2 3.26Å; L197-I235 HydrophobicContact CB-CG1 3.91Å; L197-I235 HydrophobicContact CD1-CG1 4.38Å |
| 198 | T | 95.4 | Very high | 94.3 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.6 | 167.8 | 61.5 | 0 | 0 | 0 | 0 | 113 | F194 I195 T196 I200 | F194-T198 HydrophobicContact CD1-CG2 4.46Å; F194-T198 HydrophobicContact CD2-CG2 4.28Å; F194-T198 HydrophobicContact CE1-CG2 4.19Å; F194-T198 HydrophobicContact CE2-CG2 3.99Å; F194-T198 HydrophobicContact CZ-CG2 3.94Å; F194-T198 WeakPolarHBondContact O-CG2 3.4Å; F194-T198 PolarHBondContact O-N 2.87Å; F194-T198 PolarHBondContact O-OG1 3.38Å; I195-T198 PolarHBondContact O-OG1 2.96Å; T196-T198 VanDerWaalsContact C-N 3.32Å; T196-T198 PolarHBondContact O-N 2.98Å; T198-I200 PolarHBondContact O-N 3.13Å; T198-I200 VanDerWaalsContact O-N 3.12Å; T198-I200 WeakPolarHBondContact OG1-CD1 3.49Å; T198-I200 WeakPolarHBondContact OG1-CG1 3.31Å |
| 199 | T | 95.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 36.5 Ų | 36.5 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 32.1 | 179.9 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | T92 I94 T196 L232 | T92-T199 VanDerWaalsContact O-CG2 3.24Å; T92-T199 WeakPolarHBondContact O-CG2 3.12Å; I94-T199 HydrophobicContact CG1-CG2 4.15Å; T196-T199 PolarHBondContact O-N 3.41Å; T199-L232 HydrophobicContact CG2-CD2 3.58Å |
| 200 | I | 96.6 | Very high | 92 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | trans | -82.9 | -48 | 174.1 | -66.3 | 170.6 | 0 | 0 | 0 | 109.2 | I195 T198 F202 | I195-I200 HydrophobicContact CD1-CB 4.35Å; I195-I200 HydrophobicContact CD1-CD1 3.94Å; I195-I200 HydrophobicContact CD1-CG2 4.29Å; I195-I200 HydrophobicContact CG2-CB 4.07Å; I195-I200 HydrophobicContact CG2-CG2 4.18Å; I195-I200 PolarHBondContact O-N 2.92Å; T198-I200 PolarHBondContact O-N 3.13Å; T198-I200 VanDerWaalsContact O-N 3.12Å; T198-I200 WeakPolarHBondContact OG1-CD1 3.49Å; T198-I200 WeakPolarHBondContact OG1-CG1 3.31Å; I200-F202 HydrophobicContact CG2-CD1 3.88Å; I200-F202 HydrophobicContact CG2-CD2 3.99Å; I200-F202 HydrophobicContact CG2-CE1 3.55Å; I200-F202 HydrophobicContact CG2-CE2 3.69Å; I200-F202 HydrophobicContact CG2-CG 4.09Å; I200-F202 HydrophobicContact CG2-CZ 3.46Å; I200-F202 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 201 | G | 95.3 | Very high | 90 | Very high | 4 Ų | 4 | 46 Ų | 46 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | 52.5 | 57.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I94 Y96 I195 G203 | I94-G201 WeakPolarHBondContact O-CA 3.28Å; Y96-G201 VanDerWaalsContact CA-O 3.31Å; Y96-G201 WeakPolarHBondContact CA-O 3.48Å; I195-G201 PolarHBondContact O-N 3.1Å; I195-G201 VanDerWaalsContact O-N 3.07Å; G201-G203 PolarHBondContact O-N 3.04Å | ||
| 202 | F | 93.1 | Very high | 88.1 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | trans | -58.9 | -30.3 | 178.3 | -67.6 | -52.6 | 0 | 0 | 0 | 114.4 | Y191 I195 I200 D204 | Y191-F202 WeakPolarHBondContact OH-CD2 3.2Å; I195-F202 HydrophobicContact CD1-CD2 3.91Å; I195-F202 HydrophobicContact CD1-CE2 3.64Å; I195-F202 HydrophobicContact CG1-CD2 4.17Å; I195-F202 HydrophobicContact CG1-CE2 4.38Å; I195-F202 HydrophobicContact CG2-CB 4.43Å; I195-F202 HydrophobicContact CG2-CD2 3.86Å; I195-F202 HydrophobicContact CG2-CG 4.34Å; I200-F202 HydrophobicContact CG2-CD1 3.88Å; I200-F202 HydrophobicContact CG2-CD2 3.99Å; I200-F202 HydrophobicContact CG2-CE1 3.55Å; I200-F202 HydrophobicContact CG2-CE2 3.69Å; I200-F202 HydrophobicContact CG2-CG 4.09Å; I200-F202 HydrophobicContact CG2-CZ 3.46Å; I200-F202 VanDerWaalsContact CG2-CZ 3.46Å; F202-D204 VanDerWaalsContact C-N 3.31Å | ||
| 203 | G | 90.9 | Very high | 86.3 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 80.9 | 8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y96 G201 F205 V206 | Y96-G203 VanDerWaalsContact O-CA 3.29Å; Y96-G203 WeakPolarHBondContact O-CA 3.42Å; G201-G203 PolarHBondContact O-N 3.04Å; G203-F205 VanDerWaalsContact C-N 3.35Å; G203-V206 WeakPolarHBondContact O-CG2 3.08Å |
| 204 | D | 90.7 | Very high | 84.6 | Confident | 85 Ų | 85 | 51.7 Ų | 51.7 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -67.1 | -36.3 | 170 | 56.8 | -18.1 | 0 | 0 | 0 | 112.1 | Y191 F202 | Y191-D204 WeakPolarHBondContact CE1-OD2 3.35Å; Y191-D204 PolarHBondContact OH-OD2 3.15Å; F202-D204 VanDerWaalsContact C-N 3.31Å |
| 205 | F | 91.9 | Very high | 82.8 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -119.3 | 125.7 | 167.1 | -70.9 | -94.9 | 0 | 0 | 0 | 109.7 | W184 H188 Y191 Y192 G203 | W184-F205 AromaticContact CD2-CD1 3.86Å; W184-F205 HydrophobicContact CD2-CD1 3.86Å; W184-F205 HydrophobicContact CD2-CE1 4.34Å; W184-F205 AromaticContact CE2-CD1 3.73Å; W184-F205 HydrophobicContact CE3-CD1 4.15Å; W184-F205 HydrophobicContact CG-CD1 4.38Å; W184-F205 HydrophobicContact CG-CE1 4.39Å; W184-F205 HydrophobicContact CH2-CB 4.06Å; W184-F205 HydrophobicContact CH2-CD1 4.23Å; W184-F205 HydrophobicContact CZ2-CB 4.42Å; W184-F205 AromaticContact CZ2-CD1 3.95Å; W184-F205 HydrophobicContact CZ2-CD1 3.95Å; W184-F205 HydrophobicContact CZ3-CB 4.31Å; W184-F205 HydrophobicContact CZ3-CD1 4.33Å; H188-F205 HydrophobicContact CB-CD1 4.42Å; H188-F205 HydrophobicContact CB-CE1 3.77Å; H188-F205 HydrophobicContact CB-CZ 3.88Å; H188-F205 AromaticContact CG-CE1 3.96Å; H188-F205 AromaticContact CG-CZ 3.62Å; H188-F205 AromaticContact ND1-CE2 3.97Å; H188-F205 AromaticContact ND1-CZ 3.54Å; Y191-F205 HydrophobicContact CD1-CD2 4.09Å; Y191-F205 HydrophobicContact CD1-CE2 4.49Å; Y191-F205 AromaticContact CE1-CD2 3.99Å; Y191-F205 HydrophobicContact CE1-CD2 3.99Å; Y191-F205 HydrophobicContact CE1-CE2 4.47Å; Y192-F205 HydrophobicContact CD2-CB 4.04Å; Y192-F205 VanDerWaalsContact CD2-O 3.24Å; Y192-F205 WeakPolarHBondContact CD2-O 3.32Å; Y192-F205 HydrophobicContact CG-CB 4.38Å; G203-F205 VanDerWaalsContact C-N 3.35Å |
| 206 | V | 90 | Very high | 81.2 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | trans | -139.4 | 121.4 | 178.4 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | Y85 Y96 H98 G203 Q209 | Y85-V206 HydrophobicContact CE1-CG1 4.05Å; Y96-V206 HydrophobicContact CD1-CG2 4.15Å; Y96-V206 HydrophobicContact CD2-CG1 4.31Å; Y96-V206 HydrophobicContact CG-CG1 4.48Å; Y96-V206 HydrophobicContact CG-CG2 4.07Å; H98-V206 HydrophobicContact CB-CG1 4.49Å; H98-V206 HydrophobicContact CB-CG2 4.21Å; G203-V206 WeakPolarHBondContact O-CG2 3.08Å; V206-Q209 HydrophobicContact CB-CG 3.78Å; V206-Q209 HydrophobicContact CG1-CG 3.7Å | ||
| 207 | A | 88.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 159.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F178 E182 Y192 Q209 | F178-A207 HydrophobicContact CD1-CB 3.99Å; F178-A207 HydrophobicContact CE1-CB 3.77Å; E182-A207 WeakPolarHBondContact OE1-CA 3.31Å; Y192-A207 HydrophobicContact CE1-CB 4.17Å; Y192-A207 VanDerWaalsContact OH-CB 3.31Å; Y192-A207 WeakPolarHBondContact OH-CB 3.48Å; A207-Q209 VanDerWaalsContact C-N 3.26Å; A207-Q209 PolarHBondContact O-N 3.39Å |
| 208 | L | 81.3 | Confident | 78.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 16.8 | 177.1 | -45.6 | 166.3 | 0 | 0 | 0 | 114.5 | E182 L214 Y220 V221 F225 | E182-L208 PolarHBondContact OE1-N 3.32Å; L208-L214 HydrophobicContact CB-CD1 3.74Å; L208-L214 HydrophobicContact CD1-CD1 4.15Å; L208-L214 HydrophobicContact CG-CD1 4.43Å; L208-Y220 HydrophobicContact CD2-CD1 3.4Å; L208-Y220 VanDerWaalsContact CD2-CD1 3.4Å; L208-Y220 HydrophobicContact CD2-CE1 3.32Å; L208-Y220 HydrophobicContact CD2-CG 4.2Å; L208-Y220 HydrophobicContact CG-CE1 4.28Å; L208-V221 HydrophobicContact CD2-CB 4.42Å; L208-V221 HydrophobicContact CD2-CG2 3.93Å; L208-F225 HydrophobicContact CD1-CE1 3.98Å |
| 209 | Q | 74.9 | Confident | 78.2 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -100.6 | -10.6 | 179.1 | -68.4 | -62.5 | -65.6 | 0 | 0 | 114.3 | A74 H98 V206 A207 | A74-Q209 HydrophobicContact CB-CB 4.4Å; H98-Q209 PolarHBondContact CD2-NE2 2.84Å; H98-Q209 VanDerWaalsContact CD2-NE2 3.32Å; V206-Q209 HydrophobicContact CB-CG 3.78Å; V206-Q209 HydrophobicContact CG1-CG 3.7Å; A207-Q209 VanDerWaalsContact C-N 3.26Å; A207-Q209 PolarHBondContact O-N 3.39Å | ||
| 210 | K | 69.6 | Low | 77.8 | Confident | 100 Ų | 100 | 68.6 Ų | 68.6 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -67.8 | 135.5 | 173.8 | -73.8 | -171.6 | -175.2 | -171.1 | 0 | 110.3 | E182 E212 D213 | E182-K210 WeakPolarHBondContact O-CE 3.28Å; E182-K210 PolarHBondContact O-NZ 3.34Å; K210-E212 PolarHBondContact O-N 2.95Å; K210-D213 WeakPolarHBondContact CB-OD2 3.48Å; K210-D213 PolarHBondContact O-N 2.91Å |
| 211 | K | 56.1 | Low | 77.3 | Confident | 165 Ų | 165 | 65.3 Ų | 65.3 | 72% | 0.717 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.9 | 122.6 | -170.1 | -79 | -178.2 | 175.2 | -179 | 0 | 111.6 | D213 | K211-D213 VanDerWaalsContact C-N 3.27Å; K211-D213 PolarHBondContact O-N 2.91Å |
| 212 | E | 58.3 | Low | 76.9 | Confident | 141 Ų | 141 | 67.6 Ų | 67.6 | 66% | 0.659 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -4.9 | 171.3 | -54.2 | -175 | 173.7 | 0 | 0 | 117.4 | K210 L214 Q215 E216 | K210-E212 PolarHBondContact O-N 2.95Å; E212-L214 VanDerWaalsContact C-N 3.27Å; E212-L214 PolarHBondContact O-N 3.47Å; E212-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 VanDerWaalsContact O-N 3.09Å; E212-E216 PolarHBondContact O-N 3.2Å; E212-E216 VanDerWaalsContact O-N 3.1Å |
| 213 | D | 60 | Low | 76.9 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.102 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -30.1 | 178.8 | -76.4 | -36.4 | 0 | 0 | 0 | 113.5 | K210 K211 Q215 K217 | K210-D213 WeakPolarHBondContact CB-OD2 3.48Å; K210-D213 PolarHBondContact O-N 2.91Å; K211-D213 VanDerWaalsContact C-N 3.27Å; K211-D213 PolarHBondContact O-N 2.91Å; D213-Q215 PolarHBondContact O-N 3.38Å; D213-K217 PolarHBondContact O-N 3.45Å; D213-K217 VanDerWaalsContact O-N 3.11Å; D213-K217 WeakPolarHBondContact OD1-CD 3.36Å; D213-K217 VanDerWaalsContact OD1-CE 3.26Å; D213-K217 WeakPolarHBondContact OD1-CE 3.43Å; D213-K217 IonicContact OD1-NZ 2.81Å; D213-K217 PolarHBondContact OD1-NZ 3.34Å; D213-K217 IonicContact OD2-NZ 3.85Å |
| 214 | L | 61.1 | Low | 76.9 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -18.3 | 178.1 | -159.9 | 72.8 | 0 | 0 | 0 | 112.9 | L208 E212 V221 | L208-L214 HydrophobicContact CB-CD1 3.74Å; L208-L214 HydrophobicContact CD1-CD1 4.15Å; L208-L214 HydrophobicContact CG-CD1 4.43Å; E212-L214 VanDerWaalsContact C-N 3.27Å; E212-L214 PolarHBondContact O-N 3.47Å; L214-V221 HydrophobicContact CD1-CG2 4.4Å |
| 215 | Q | 59.2 | Low | 77 | Confident | 95 Ų | 95 | 60.4 Ų | 60.4 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -112.9 | -29.6 | -178.9 | -67.8 | 179.1 | 35.6 | 0 | 0 | 113.3 | K79 E212 D213 | K79-Q215 HydrophobicContact CD-CG 4.29Å; K79-Q215 VanDerWaalsContact CE-NE2 3.28Å; E212-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 VanDerWaalsContact O-N 3.09Å; D213-Q215 PolarHBondContact O-N 3.38Å |
| 216 | E | 63.3 | Low | 77 | Confident | 150 Ų | 150 | 63.3 Ų | 63.3 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -89.7 | -30 | 179.9 | -77.2 | -157.5 | 138.9 | 0 | 0 | 114.4 | E212 | E212-E216 PolarHBondContact O-N 3.2Å; E212-E216 VanDerWaalsContact O-N 3.1Å |
| 217 | K | 69 | Low | 77.3 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | trans | -111.7 | 63.9 | -171.1 | -64.8 | 178.7 | -174.7 | 150.9 | 0 | 113.5 | D213 P219 Y220 V221 | D213-K217 PolarHBondContact O-N 3.45Å; D213-K217 VanDerWaalsContact O-N 3.11Å; D213-K217 WeakPolarHBondContact OD1-CD 3.36Å; D213-K217 VanDerWaalsContact OD1-CE 3.26Å; D213-K217 WeakPolarHBondContact OD1-CE 3.43Å; D213-K217 IonicContact OD1-NZ 2.81Å; D213-K217 PolarHBondContact OD1-NZ 3.34Å; D213-K217 IonicContact OD2-NZ 3.85Å; K217-P219 VanDerWaalsContact C-N 3.33Å; K217-P219 VanDerWaalsContact O-N 3.17Å; K217-Y220 PolarHBondContact O-N 2.96Å; K217-V221 PolarHBondContact O-N 2.58Å | ||
| 218 | T | 74.3 | Confident | 77.6 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 66% | 0.656 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -43.4 | -44.5 | 173.5 | -51.4 | 0 | 0 | 0 | 0 | 115.2 | Y220 V221 A222 | T218-Y220 PolarHBondContact O-N 3.35Å; T218-V221 PolarHBondContact O-N 2.62Å; T218-A222 PolarHBondContact O-N 3.46Å; T218-A222 VanDerWaalsContact O-N 3.14Å |
| 219 | P | 82.9 | Confident | 78.2 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 69% | 0.688 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.6 | -33.1 | -180 | 25.6 | -34.8 | 0 | 0 | 0 | 113.5 | K217 F223 | K217-P219 VanDerWaalsContact C-N 3.33Å; K217-P219 VanDerWaalsContact O-N 3.17Å; P219-F223 WeakPolarHBondContact O-CB 3.35Å; P219-F223 PolarHBondContact O-N 3.09Å |
| 220 | Y | 86.2 | Confident | 79.1 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 4% | 0.043 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 178.7 | 174.5 | -127.5 | 0 | 0 | 0 | 112 | F178 F181 E182 L208 K217 T218 F223 S224 | F178-Y220 HydrophobicContact CD1-CE2 4.3Å; F178-Y220 HydrophobicContact CE1-CE2 4.16Å; F181-Y220 HydrophobicContact CB-CD2 4.1Å; F181-Y220 HydrophobicContact CB-CE1 4.48Å; F181-Y220 HydrophobicContact CB-CE2 3.55Å; F181-Y220 HydrophobicContact CD1-CD2 4.01Å; F181-Y220 HydrophobicContact CD1-CE2 4.32Å; F181-Y220 HydrophobicContact CD1-CG 4.48Å; F181-Y220 AromaticContact CD2-CD2 3.8Å; F181-Y220 HydrophobicContact CD2-CD2 3.8Å; F181-Y220 AromaticContact CD2-CE2 3.68Å; F181-Y220 HydrophobicContact CD2-CE2 3.68Å; F181-Y220 HydrophobicContact CE1-CD2 4.4Å; F181-Y220 HydrophobicContact CE2-CD2 4.22Å; F181-Y220 HydrophobicContact CE2-CE2 4.49Å; F181-Y220 AromaticContact CG-CD2 3.71Å; F181-Y220 HydrophobicContact CG-CD2 3.71Å; F181-Y220 AromaticContact CG-CE2 3.6Å; F181-Y220 HydrophobicContact CG-CE2 3.6Å; E182-Y220 VanDerWaalsContact CG-OH 3.31Å; E182-Y220 WeakPolarHBondContact CG-OH 3.38Å; E182-Y220 PolarHBondContact OE1-OH 3.45Å; L208-Y220 HydrophobicContact CD2-CD1 3.4Å; L208-Y220 VanDerWaalsContact CD2-CD1 3.4Å; L208-Y220 HydrophobicContact CD2-CE1 3.32Å; L208-Y220 HydrophobicContact CD2-CG 4.2Å; L208-Y220 HydrophobicContact CG-CE1 4.28Å; K217-Y220 PolarHBondContact O-N 2.96Å; T218-Y220 PolarHBondContact O-N 3.35Å; Y220-F223 HydrophobicContact CD2-CD1 4.25Å; Y220-F223 HydrophobicContact CE2-CD1 4.4Å; Y220-F223 PolarHBondContact O-N 2.89Å; Y220-S224 WeakPolarHBondContact O-CB 3.41Å; Y220-S224 PolarHBondContact O-N 2.92Å; Y220-S224 PolarHBondContact O-OG 3.32Å |
| 221 | V | 86.1 | Confident | 80.4 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | 173.1 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | A81 L208 L214 K217 T218 F223 S224 F225 | A81-V221 HydrophobicContact CB-CG1 4.42Å; L208-V221 HydrophobicContact CD2-CB 4.42Å; L208-V221 HydrophobicContact CD2-CG2 3.93Å; L214-V221 HydrophobicContact CD1-CG2 4.4Å; K217-V221 PolarHBondContact O-N 2.58Å; T218-V221 PolarHBondContact O-N 2.62Å; V221-F223 PolarHBondContact O-N 2.88Å; V221-S224 PolarHBondContact O-N 3.25Å; V221-F225 HydrophobicContact CG1-CD2 4.12Å; V221-F225 HydrophobicContact CG1-CE1 4.11Å; V221-F225 HydrophobicContact CG1-CE2 3.37Å; V221-F225 HydrophobicContact CG1-CZ 3.37Å; V221-F225 WeakPolarHBondContact O-CG 3.45Å; V221-F225 PolarHBondContact O-N 3.39Å; V221-F225 VanDerWaalsContact O-N 3.09Å |
| 222 | A | 88.6 | Confident | 82.2 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T218 S224 F225 M226 | T218-A222 PolarHBondContact O-N 3.46Å; T218-A222 VanDerWaalsContact O-N 3.14Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 3.44Å; A222-F225 PolarHBondContact O-N 2.97Å; A222-M226 WeakPolarHBondContact O-CB 3.39Å; A222-M226 WeakPolarHBondContact O-CG 3.46Å; A222-M226 PolarHBondContact O-N 2.95Å |
| 223 | F | 91.6 | Very high | 83.9 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 173.8 | 168.1 | -97.4 | 0 | 0 | 0 | 111.6 | A177 F178 F181 P219 Y220 V221 F225 M226 Y227 | A177-F223 HydrophobicContact CB-CE1 3.73Å; A177-F223 HydrophobicContact CB-CZ 3.46Å; A177-F223 VanDerWaalsContact CB-CZ 3.46Å; F178-F223 HydrophobicContact CE1-CE1 4.46Å; F178-F223 HydrophobicContact CZ-CE1 4.24Å; F181-F223 HydrophobicContact CE2-CD1 4.5Å; F181-F223 HydrophobicContact CE2-CE1 4.47Å; P219-F223 WeakPolarHBondContact O-CB 3.35Å; P219-F223 PolarHBondContact O-N 3.09Å; Y220-F223 HydrophobicContact CD2-CD1 4.25Å; Y220-F223 HydrophobicContact CE2-CD1 4.4Å; Y220-F223 PolarHBondContact O-N 2.89Å; V221-F223 PolarHBondContact O-N 2.88Å; F223-F225 PolarHBondContact O-N 2.72Å; F223-M226 PolarHBondContact O-N 3.36Å; F223-Y227 WeakPolarHBondContact O-CB 3.36Å; F223-Y227 PolarHBondContact O-N 2.67Å |
| 224 | S | 92 | Very high | 85.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | -178.8 | -60.5 | 0 | 0 | 0 | 0 | 112 | Y220 V221 A222 Y227 I228 | Y220-S224 WeakPolarHBondContact O-CB 3.41Å; Y220-S224 PolarHBondContact O-N 2.92Å; Y220-S224 PolarHBondContact O-OG 3.32Å; V221-S224 PolarHBondContact O-N 3.25Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 3.44Å; S224-Y227 PolarHBondContact O-N 3.48Å; S224-I228 WeakPolarHBondContact O-CG1 3.3Å; S224-I228 PolarHBondContact O-N 3.38Å |
| 225 | F | 91.9 | Very high | 87.2 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 176.5 | -60.6 | -18 | 0 | 0 | 0 | 112.1 | F84 Y85 I88 L208 V221 A222 F223 Y227 I228 L229 | F84-F225 AromaticContact CD1-CD2 3.66Å; F84-F225 HydrophobicContact CD1-CD2 3.66Å; F84-F225 AromaticContact CD1-CE2 3.48Å; F84-F225 HydrophobicContact CD1-CE2 3.48Å; F84-F225 VanDerWaalsContact CD1-CE2 3.48Å; F84-F225 HydrophobicContact CD1-CG 4.41Å; F84-F225 HydrophobicContact CD1-CZ 4.13Å; F84-F225 AromaticContact CE1-CD2 3.73Å; F84-F225 HydrophobicContact CE1-CD2 3.73Å; F84-F225 HydrophobicContact CE1-CE2 4.06Å; F84-F225 HydrophobicContact CE1-CG 4.35Å; Y85-F225 AromaticContact CD2-CD1 3.94Å; Y85-F225 HydrophobicContact CD2-CD1 3.94Å; Y85-F225 AromaticContact CD2-CE1 3.41Å; Y85-F225 HydrophobicContact CD2-CE1 3.41Å; Y85-F225 VanDerWaalsContact CD2-CE1 3.41Å; Y85-F225 HydrophobicContact CD2-CZ 4.44Å; Y85-F225 HydrophobicContact CE2-CE1 4.32Å; Y85-F225 AromaticContact CG-CE1 3.78Å; Y85-F225 HydrophobicContact CG-CE1 3.78Å; Y85-F225 HydrophobicContact CG-CZ 4.45Å; I88-F225 HydrophobicContact CD1-CB 4.01Å; I88-F225 HydrophobicContact CD1-CD1 3.87Å; I88-F225 HydrophobicContact CD1-CD2 4.35Å; I88-F225 HydrophobicContact CD1-CE1 4.47Å; I88-F225 HydrophobicContact CD1-CG 3.81Å; L208-F225 HydrophobicContact CD1-CE1 3.98Å; V221-F225 HydrophobicContact CG1-CD2 4.12Å; V221-F225 HydrophobicContact CG1-CE1 4.11Å; V221-F225 HydrophobicContact CG1-CE2 3.37Å; V221-F225 HydrophobicContact CG1-CZ 3.37Å; V221-F225 WeakPolarHBondContact O-CG 3.45Å; V221-F225 PolarHBondContact O-N 3.39Å; V221-F225 VanDerWaalsContact O-N 3.09Å; A222-F225 PolarHBondContact O-N 2.97Å; F223-F225 PolarHBondContact O-N 2.72Å; F225-Y227 VanDerWaalsContact C-N 3.34Å; F225-I228 PolarHBondContact O-N 3.15Å; F225-L229 WeakPolarHBondContact O-CG 3.32Å; F225-L229 PolarHBondContact O-N 3Å |
| 226 | M | 92.9 | Very high | 88.7 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 53% | 0.532 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 176 | -74.7 | -64.7 | 99.6 | 0 | 0 | 111.7 | A222 F223 I228 L229 V230 | A222-M226 WeakPolarHBondContact O-CB 3.39Å; A222-M226 WeakPolarHBondContact O-CG 3.46Å; A222-M226 PolarHBondContact O-N 2.95Å; F223-M226 PolarHBondContact O-N 3.36Å; M226-I228 PolarHBondContact O-N 2.92Å; M226-L229 HydrophobicContact CE-CD1 3.75Å; M226-L229 PolarHBondContact O-N 3.18Å; M226-V230 VanDerWaalsContact O-CB 3.31Å; M226-V230 WeakPolarHBondContact O-CB 3.46Å; M226-V230 VanDerWaalsContact O-CG2 3.29Å; M226-V230 WeakPolarHBondContact O-CG2 3.38Å; M226-V230 PolarHBondContact O-N 2.62Å |
| 227 | Y | 95.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 176.3 | 175.4 | -93.3 | 0 | 0 | 0 | 111.6 | T170 F178 C193 L197 F223 S224 F225 G231 | T170-Y227 HydrophobicContact CG2-CE2 4.23Å; T170-Y227 PolarHBondContact O-OH 2.87Å; F178-Y227 AromaticContact CE2-CD1 3.53Å; F178-Y227 HydrophobicContact CE2-CD1 3.53Å; F178-Y227 AromaticContact CE2-CE1 3.7Å; F178-Y227 HydrophobicContact CE2-CE1 3.7Å; F178-Y227 HydrophobicContact CE2-CG 4Å; F178-Y227 AromaticContact CZ-CD1 3.93Å; F178-Y227 HydrophobicContact CZ-CD1 3.93Å; F178-Y227 HydrophobicContact CZ-CG 4.32Å; C193-Y227 WeakPolarHBondContact CB-OH 3.41Å; C193-Y227 PolarHBondContact SG-OH 2.78Å; L197-Y227 HydrophobicContact CD1-CE1 4.36Å; L197-Y227 HydrophobicContact CD2-CE1 4.3Å; L197-Y227 HydrophobicContact CG-CE1 4.41Å; F223-Y227 WeakPolarHBondContact O-CB 3.36Å; F223-Y227 PolarHBondContact O-N 2.67Å; S224-Y227 PolarHBondContact O-N 3.48Å; F225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-G231 WeakPolarHBondContact O-CA 3.25Å; Y227-G231 PolarHBondContact O-N 3.37Å |
| 228 | I | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 178.6 | -68 | 168 | 0 | 0 | 0 | 110.6 | Y85 I88 I94 T196 S224 F225 M226 L232 | Y85-I228 HydrophobicContact CE2-CD1 3.86Å; I88-I228 HydrophobicContact CG2-CG2 4.14Å; I94-I228 HydrophobicContact CD1-CG2 3.75Å; T196-I228 HydrophobicContact CG2-CD1 4.45Å; T196-I228 HydrophobicContact CG2-CG1 4.01Å; S224-I228 WeakPolarHBondContact O-CG1 3.3Å; S224-I228 PolarHBondContact O-N 3.38Å; F225-I228 PolarHBondContact O-N 3.15Å; M226-I228 PolarHBondContact O-N 2.92Å; I228-L232 HydrophobicContact CG2-CD1 3.81Å; I228-L232 HydrophobicContact CG2-CG 4.38Å; I228-L232 VanDerWaalsContact O-CB 3.28Å; I228-L232 WeakPolarHBondContact O-CB 3.46Å; I228-L232 WeakPolarHBondContact O-CG 3.34Å; I228-L232 PolarHBondContact O-N 3.34Å |
| 229 | L | 93.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | -177.6 | -68.8 | 174.2 | 0 | 0 | 0 | 112.7 | F225 M226 T233 | F225-L229 WeakPolarHBondContact O-CG 3.32Å; F225-L229 PolarHBondContact O-N 3Å; M226-L229 HydrophobicContact CE-CD1 3.75Å; M226-L229 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-N 3.4Å; L229-T233 VanDerWaalsContact O-N 3.11Å; L229-T233 PolarHBondContact O-OG1 3.14Å |
| 230 | V | 94.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 31.1 Ų | 31.1 | 49% | 0.491 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68 | -45 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | M226 L232 T233 V234 | M226-V230 VanDerWaalsContact O-CB 3.31Å; M226-V230 WeakPolarHBondContact O-CB 3.46Å; M226-V230 VanDerWaalsContact O-CG2 3.29Å; M226-V230 WeakPolarHBondContact O-CG2 3.38Å; M226-V230 PolarHBondContact O-N 2.62Å; V230-L232 PolarHBondContact O-N 3.36Å; V230-T233 CarbonylContact O-C 3.58Å; V230-T233 WeakPolarHBondContact O-CA 3.43Å; V230-T233 WeakPolarHBondContact O-CB 3.22Å; V230-T233 PolarHBondContact O-N 2.96Å; V230-T233 VanDerWaalsContact O-N 3.07Å; V230-V234 WeakPolarHBondContact O-CG2 3.35Å; V230-V234 PolarHBondContact O-N 3.01Å |
| 231 | G | 95.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y227 T233 V234 I235 | Y227-G231 WeakPolarHBondContact O-CA 3.25Å; Y227-G231 PolarHBondContact O-N 3.37Å; G231-T233 PolarHBondContact O-N 3.38Å; G231-V234 PolarHBondContact O-N 3.5Å; G231-V234 VanDerWaalsContact O-N 3.11Å; G231-I235 WeakPolarHBondContact O-CG1 3.42Å; G231-I235 PolarHBondContact O-N 3.3Å |
| 232 | L | 94.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -33.9 | 173.7 | -75.2 | 173.3 | 0 | 0 | 0 | 111.9 | T92 I94 F125 L197 T199 I228 V230 G236 | T92-L232 HydrophobicContact CG2-CD1 3.49Å; T92-L232 VanDerWaalsContact CG2-CD1 3.49Å; I94-L232 HydrophobicContact CD1-CD1 4.3Å; F125-L232 HydrophobicContact CE1-CB 3.87Å; F125-L232 HydrophobicContact CE2-CB 4.04Å; F125-L232 HydrophobicContact CE2-CD1 4.01Å; F125-L232 HydrophobicContact CZ-CB 3.56Å; F125-L232 HydrophobicContact CZ-CD1 3.77Å; F125-L232 HydrophobicContact CZ-CG 4.34Å; L197-L232 HydrophobicContact CD2-CG 4.25Å; L197-L232 WeakPolarHBondContact O-CD2 3.26Å; T199-L232 HydrophobicContact CG2-CD2 3.58Å; I228-L232 HydrophobicContact CG2-CD1 3.81Å; I228-L232 HydrophobicContact CG2-CG 4.38Å; I228-L232 VanDerWaalsContact O-CB 3.28Å; I228-L232 WeakPolarHBondContact O-CB 3.46Å; I228-L232 WeakPolarHBondContact O-CG 3.34Å; I228-L232 PolarHBondContact O-N 3.34Å; V230-L232 PolarHBondContact O-N 3.36Å; L232-G236 WeakPolarHBondContact O-CA 3.3Å; L232-G236 PolarHBondContact O-N 3.4Å |
| 233 | T | 94.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.08 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -38.5 | 174.2 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | L128 M132 L229 V230 G231 A237 | L128-T233 HydrophobicContact CB-CG2 3.64Å; L128-T233 HydrophobicContact CD1-CG2 4.44Å; M132-T233 HydrophobicContact CE-CG2 3.55Å; L229-T233 PolarHBondContact O-N 3.4Å; L229-T233 VanDerWaalsContact O-N 3.11Å; L229-T233 PolarHBondContact O-OG1 3.14Å; V230-T233 CarbonylContact O-C 3.58Å; V230-T233 WeakPolarHBondContact O-CA 3.43Å; V230-T233 WeakPolarHBondContact O-CB 3.22Å; V230-T233 PolarHBondContact O-N 2.96Å; V230-T233 VanDerWaalsContact O-N 3.07Å; G231-T233 PolarHBondContact O-N 3.38Å; T233-A237 VanDerWaalsContact O-CB 3.26Å; T233-A237 WeakPolarHBondContact O-CB 3.49Å; T233-A237 PolarHBondContact O-N 2.71Å |
| 234 | V | 95.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -49.3 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | M132 V230 G231 G236 A237 F238 | M132-V234 HydrophobicContact CE-CG2 4.2Å; V230-V234 WeakPolarHBondContact O-CG2 3.35Å; V230-V234 PolarHBondContact O-N 3.01Å; G231-V234 PolarHBondContact O-N 3.5Å; G231-V234 VanDerWaalsContact O-N 3.11Å; V234-G236 VanDerWaalsContact C-N 3.33Å; V234-G236 PolarHBondContact O-N 2.94Å; V234-A237 PolarHBondContact O-N 3.16Å; V234-F238 PolarHBondContact O-N 3.27Å |
| 235 | I | 94.2 | Very high | 91.1 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.3 | -60.1 | -49.8 | 0 | 0 | 0 | 110.2 | C167 L197 G231 A237 F238 L239 | C167-I235 HydrophobicContact CB-CD1 3.81Å; L197-I235 HydrophobicContact CB-CG1 3.91Å; L197-I235 HydrophobicContact CD1-CG1 4.38Å; G231-I235 WeakPolarHBondContact O-CG1 3.42Å; G231-I235 PolarHBondContact O-N 3.3Å; I235-A237 PolarHBondContact O-N 3.41Å; I235-F238 PolarHBondContact O-N 3.5Å; I235-L239 HydrophobicContact CG2-CD1 3.99Å; I235-L239 HydrophobicContact CG2-CG 4.21Å; I235-L239 WeakPolarHBondContact O-CB 3.38Å; I235-L239 WeakPolarHBondContact O-CG 3.43Å; I235-L239 PolarHBondContact O-N 3.05Å |
| 236 | G | 92.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L232 V234 L239 N240 | L232-G236 WeakPolarHBondContact O-CA 3.3Å; L232-G236 PolarHBondContact O-N 3.4Å; V234-G236 VanDerWaalsContact C-N 3.33Å; V234-G236 PolarHBondContact O-N 2.94Å; G236-L239 PolarHBondContact O-N 3.34Å; G236-N240 VanDerWaalsContact O-CB 3.25Å; G236-N240 WeakPolarHBondContact O-CB 3.49Å; G236-N240 PolarHBondContact O-N 3Å |
| 237 | A | 92.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M132 N133 T233 V234 I235 L241 | M132-A237 HydrophobicContact CB-CB 4.14Å; M132-A237 HydrophobicContact CG-CB 4.23Å; N133-A237 PolarHBondContact ND2-O 3.04Å; T233-A237 VanDerWaalsContact O-CB 3.26Å; T233-A237 WeakPolarHBondContact O-CB 3.49Å; T233-A237 PolarHBondContact O-N 2.71Å; V234-A237 PolarHBondContact O-N 3.16Å; I235-A237 PolarHBondContact O-N 3.41Å; A237-L241 WeakPolarHBondContact O-CB 3.34Å; A237-L241 PolarHBondContact O-N 2.82Å |
| 238 | F | 93.6 | Very high | 89 | Confident | 45 Ų | 45 | 46 Ų | 46 | 20% | 0.197 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -46.7 | 176.4 | 178.4 | -108.3 | 0 | 0 | 0 | 111.9 | V160 F164 C167 V234 I235 N240 L241 V242 | V160-F238 HydrophobicContact CG1-CE2 4.37Å; F164-F238 HydrophobicContact CB-CE2 4.13Å; F164-F238 HydrophobicContact CB-CZ 4.42Å; F164-F238 HydrophobicContact CD2-CZ 4.44Å; C167-F238 VanDerWaalsContact SG-CB 3.58Å; V234-F238 PolarHBondContact O-N 3.27Å; I235-F238 PolarHBondContact O-N 3.5Å; F238-N240 VanDerWaalsContact C-N 3.35Å; F238-N240 PolarHBondContact O-N 2.76Å; F238-L241 WeakPolarHBondContact O-CB 3.48Å; F238-L241 PolarHBondContact O-N 3.44Å; F238-V242 HydrophobicContact CD2-CG2 4.32Å; F238-V242 HydrophobicContact CE1-CG2 4.1Å; F238-V242 HydrophobicContact CE2-CG2 3.9Å; F238-V242 HydrophobicContact CZ-CG2 3.78Å; F238-V242 WeakPolarHBondContact O-CG2 3.46Å; F238-V242 PolarHBondContact O-N 2.98Å |
| 239 | L | 90.8 | Very high | 88.1 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.2 | -71.8 | 178.2 | 0 | 0 | 0 | 111.1 | I235 G236 L241 V242 V243 | I235-L239 HydrophobicContact CG2-CD1 3.99Å; I235-L239 HydrophobicContact CG2-CG 4.21Å; I235-L239 WeakPolarHBondContact O-CB 3.38Å; I235-L239 WeakPolarHBondContact O-CG 3.43Å; I235-L239 PolarHBondContact O-N 3.05Å; G236-L239 PolarHBondContact O-N 3.34Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 PolarHBondContact O-N 3.3Å; L239-V242 PolarHBondContact O-N 3.23Å; L239-V243 WeakPolarHBondContact O-CB 3.44Å; L239-V243 WeakPolarHBondContact O-CG2 3.44Å; L239-V243 PolarHBondContact O-N 2.69Å |
| 240 | N | 89.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 49 Ų | 49 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 175.8 | -173.8 | 13.8 | 0 | 0 | 0 | 110.7 | Q126 E130 G236 F238 V242 L244 | Q126-N240 PolarHBondContact OE1-ND2 3.41Å; Q126-N240 PolarHBondContact OE1-OD1 3.32Å; E130-N240 WeakPolarHBondContact CG-ND2 3.47Å; G236-N240 VanDerWaalsContact O-CB 3.25Å; G236-N240 WeakPolarHBondContact O-CB 3.49Å; G236-N240 PolarHBondContact O-N 3Å; F238-N240 VanDerWaalsContact C-N 3.35Å; F238-N240 PolarHBondContact O-N 2.76Å; N240-V242 PolarHBondContact O-N 3.07Å; N240-L244 WeakPolarHBondContact O-CA 3.38Å; N240-L244 WeakPolarHBondContact O-CB 3.26Å; N240-L244 PolarHBondContact O-N 3.42Å |
| 241 | L | 88.3 | Confident | 86.7 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.8 | -171.6 | 146.3 | 0 | 0 | 0 | 112.8 | M159 V160 A237 F238 L239 R245 | M159-L241 HydrophobicContact CB-CD1 3.71Å; M159-L241 HydrophobicContact CE-CD1 4.19Å; V160-L241 HydrophobicContact CB-CD2 4.34Å; V160-L241 HydrophobicContact CG2-CD2 3.38Å; A237-L241 WeakPolarHBondContact O-CB 3.34Å; A237-L241 PolarHBondContact O-N 2.82Å; F238-L241 WeakPolarHBondContact O-CB 3.48Å; F238-L241 PolarHBondContact O-N 3.44Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 PolarHBondContact O-N 3.3Å; L241-R245 WeakPolarHBondContact O-CB 3.31Å; L241-R245 PolarHBondContact O-N 3.25Å; L241-R245 VanDerWaalsContact O-N 3.11Å |
| 242 | V | 88.1 | Confident | 85.9 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.6 | -44.8 | -177.9 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | F238 L239 N240 R245 F246 | F238-V242 HydrophobicContact CD2-CG2 4.32Å; F238-V242 HydrophobicContact CE1-CG2 4.1Å; F238-V242 HydrophobicContact CE2-CG2 3.9Å; F238-V242 HydrophobicContact CZ-CG2 3.78Å; F238-V242 WeakPolarHBondContact O-CG2 3.46Å; F238-V242 PolarHBondContact O-N 2.98Å; L239-V242 PolarHBondContact O-N 3.23Å; N240-V242 PolarHBondContact O-N 3.07Å; V242-R245 WeakPolarHBondContact O-CB 3.37Å; V242-R245 PolarHBondContact O-N 3.28Å; V242-F246 PolarHBondContact O-N 3.32Å |
| 243 | V | 85.5 | Confident | 85.1 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 110 | L239 R245 F246 L247 | L239-V243 WeakPolarHBondContact O-CB 3.44Å; L239-V243 WeakPolarHBondContact O-CG2 3.44Å; L239-V243 PolarHBondContact O-N 2.69Å; V243-R245 VanDerWaalsContact C-N 3.31Å; V243-R245 PolarHBondContact O-N 3.07Å; V243-F246 WeakPolarHBondContact O-CB 3.44Å; V243-F246 PolarHBondContact O-N 2.85Å; V243-F246 VanDerWaalsContact O-N 3.13Å; V243-L247 HydrophobicContact CG1-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CG 4.17Å; V243-L247 WeakPolarHBondContact O-CB 3.33Å; V243-L247 WeakPolarHBondContact O-CG 3.27Å; V243-L247 PolarHBondContact O-N 3.21Å |
| 244 | L | 75.8 | Confident | 84.4 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.9 | -173.6 | 65.6 | 0 | 0 | 0 | 110.5 | N240 F246 L247 T248 | N240-L244 WeakPolarHBondContact O-CA 3.38Å; N240-L244 WeakPolarHBondContact O-CB 3.26Å; N240-L244 PolarHBondContact O-N 3.42Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 2.97Å; L244-L247 PolarHBondContact O-N 3.49Å; L244-T248 HydrophobicContact CD1-CG2 4.31Å; L244-T248 HydrophobicContact CG-CG2 4.33Å; L244-T248 WeakPolarHBondContact O-CB 3.39Å; L244-T248 VanDerWaalsContact O-CG2 3.3Å; L244-T248 WeakPolarHBondContact O-CG2 3.25Å; L244-T248 PolarHBondContact O-N 3.23Å; L244-T248 PolarHBondContact O-OG1 2.9Å |
| 245 | R | 79.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 174.5 | -178.3 | -174.9 | -178.9 | -163.9 | 2.8 | 111.9 | L241 V242 V243 T248 M249 | L241-R245 WeakPolarHBondContact O-CB 3.31Å; L241-R245 PolarHBondContact O-N 3.25Å; L241-R245 VanDerWaalsContact O-N 3.11Å; V242-R245 WeakPolarHBondContact O-CB 3.37Å; V242-R245 PolarHBondContact O-N 3.28Å; V243-R245 VanDerWaalsContact C-N 3.31Å; V243-R245 PolarHBondContact O-N 3.07Å; R245-T248 WeakPolarHBondContact CA-OG1 3.49Å; R245-T248 PolarHBondContact O-OG1 3.37Å; R245-M249 WeakPolarHBondContact O-CB 3.46Å; R245-M249 PolarHBondContact O-N 3.22Å |
| 246 | F | 80 | Confident | 83.2 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 178.8 | -175.7 | -103.7 | 0 | 0 | 0 | 111.2 | V242 V243 L244 T248 M249 N250 | V242-F246 PolarHBondContact O-N 3.32Å; V243-F246 WeakPolarHBondContact O-CB 3.44Å; V243-F246 PolarHBondContact O-N 2.85Å; V243-F246 VanDerWaalsContact O-N 3.13Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 2.97Å; F246-T248 PolarHBondContact O-N 3.24Å; F246-M249 HydrophobicContact CD2-CE 4.42Å; F246-M249 PolarHBondContact O-N 3.22Å; F246-N250 VanDerWaalsContact CD1-ND2 3.33Å; F246-N250 WeakPolarHBondContact CD1-ND2 3.46Å; F246-N250 VanDerWaalsContact CE1-ND2 3.35Å; F246-N250 WeakPolarHBondContact CE1-ND2 3.31Å; F246-N250 PolarHBondContact O-N 3.5Å; F246-N250 VanDerWaalsContact O-N 3.07Å; F246-N250 PolarHBondContact O-ND2 3.2Å; F246-N250 PolarHBondContact O-OD1 3.14Å |
| 247 | L | 79.1 | Confident | 82.6 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.7 | -69.3 | 176.4 | 0 | 0 | 0 | 111.6 | V243 L244 M249 N250 T251 | V243-L247 HydrophobicContact CG1-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CG 4.17Å; V243-L247 WeakPolarHBondContact O-CB 3.33Å; V243-L247 WeakPolarHBondContact O-CG 3.27Å; V243-L247 PolarHBondContact O-N 3.21Å; L244-L247 PolarHBondContact O-N 3.49Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-M249 PolarHBondContact O-N 3.19Å; L247-N250 WeakPolarHBondContact O-CB 3.35Å; L247-N250 PolarHBondContact O-N 3.01Å; L247-T251 WeakPolarHBondContact O-CG2 3.49Å; L247-T251 PolarHBondContact O-N 2.94Å; L247-T251 PolarHBondContact O-OG1 2.92Å |
| 248 | T | 77.9 | Confident | 82.2 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | L244 R245 F246 N250 T251 E252 | L244-T248 HydrophobicContact CD1-CG2 4.31Å; L244-T248 HydrophobicContact CG-CG2 4.33Å; L244-T248 WeakPolarHBondContact O-CB 3.39Å; L244-T248 VanDerWaalsContact O-CG2 3.3Å; L244-T248 WeakPolarHBondContact O-CG2 3.25Å; L244-T248 PolarHBondContact O-N 3.23Å; L244-T248 PolarHBondContact O-OG1 2.9Å; R245-T248 WeakPolarHBondContact CA-OG1 3.49Å; R245-T248 PolarHBondContact O-OG1 3.37Å; F246-T248 PolarHBondContact O-N 3.24Å; T248-N250 VanDerWaalsContact C-N 3.29Å; T248-N250 PolarHBondContact O-N 3.45Å; T248-T251 WeakPolarHBondContact CA-OG1 3.45Å; T248-T251 PolarHBondContact O-N 3.47Å; T248-T251 VanDerWaalsContact O-N 3.17Å; T248-T251 PolarHBondContact O-OG1 2.68Å; T248-E252 WeakPolarHBondContact O-CG 3.45Å; T248-E252 PolarHBondContact O-N 3.37Å |
| 249 | M | 75.7 | Confident | 81.8 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.9 | -167.3 | 172.6 | 74.5 | 0 | 0 | 111 | R245 F246 L247 T251 E252 D253 | R245-M249 WeakPolarHBondContact O-CB 3.46Å; R245-M249 PolarHBondContact O-N 3.22Å; F246-M249 HydrophobicContact CD2-CE 4.42Å; F246-M249 PolarHBondContact O-N 3.22Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-M249 PolarHBondContact O-N 3.19Å; M249-T251 PolarHBondContact O-N 3.11Å; M249-E252 PolarHBondContact O-N 3.36Å; M249-D253 PolarHBondContact O-N 3.36Å |
| 250 | N | 77.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 81.7 Ų | 81.7 | 10% | 0.102 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 176.5 | -50 | -30 | 0 | 0 | 0 | 112 | R7 F246 L247 T248 E252 D253 E254 | R7-N250 PolarHBondContact NH1-OD1 3.19Å; R7-N250 PolarHBondContact NH2-ND2 3.37Å; R7-N250 PolarHBondContact NH2-OD1 3.36Å; F246-N250 VanDerWaalsContact CD1-ND2 3.33Å; F246-N250 WeakPolarHBondContact CD1-ND2 3.46Å; F246-N250 VanDerWaalsContact CE1-ND2 3.35Å; F246-N250 WeakPolarHBondContact CE1-ND2 3.31Å; F246-N250 PolarHBondContact O-N 3.5Å; F246-N250 VanDerWaalsContact O-N 3.07Å; F246-N250 PolarHBondContact O-ND2 3.2Å; F246-N250 PolarHBondContact O-OD1 3.14Å; L247-N250 WeakPolarHBondContact O-CB 3.35Å; L247-N250 PolarHBondContact O-N 3.01Å; T248-N250 VanDerWaalsContact C-N 3.29Å; T248-N250 PolarHBondContact O-N 3.45Å; N250-E252 VanDerWaalsContact C-N 3.32Å; N250-D253 PolarHBondContact O-N 3.09Å; N250-E254 WeakPolarHBondContact O-CG 3.36Å; N250-E254 PolarHBondContact O-N 2.66Å |
| 251 | T | 79.9 | Confident | 81.3 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.3 | -32.9 | 179.4 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | L247 T248 M249 R255 | L247-T251 WeakPolarHBondContact O-CG2 3.49Å; L247-T251 PolarHBondContact O-N 2.94Å; L247-T251 PolarHBondContact O-OG1 2.92Å; T248-T251 WeakPolarHBondContact CA-OG1 3.45Å; T248-T251 PolarHBondContact O-N 3.47Å; T248-T251 VanDerWaalsContact O-N 3.17Å; T248-T251 PolarHBondContact O-OG1 2.68Å; M249-T251 PolarHBondContact O-N 3.11Å; T251-R255 WeakPolarHBondContact O-CB 3.28Å; T251-R255 VanDerWaalsContact O-CG 3.29Å; T251-R255 WeakPolarHBondContact O-CG 3.47Å; T251-R255 PolarHBondContact O-N 3.09Å |
| 252 | E | 78.3 | Confident | 81.2 | Confident | 98 Ų | 98 | 90.4 Ų | 90.4 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 174.2 | -75.1 | -169.6 | -179.3 | 0 | 0 | 111.3 | T248 M249 N250 E254 R255 R256 | T248-E252 WeakPolarHBondContact O-CG 3.45Å; T248-E252 PolarHBondContact O-N 3.37Å; M249-E252 PolarHBondContact O-N 3.36Å; N250-E252 VanDerWaalsContact C-N 3.32Å; E252-E254 VanDerWaalsContact C-N 3.33Å; E252-E254 PolarHBondContact O-N 3.08Å; E252-R255 PolarHBondContact O-N 3.45Å; E252-R256 WeakPolarHBondContact O-CG 3.23Å; E252-R256 PolarHBondContact O-N 3.22Å; E252-R256 IonicContact OE2-NH2 3.05Å |
| 253 | D | 78.6 | Confident | 81.1 | Confident | 72 Ų | 72 | 90.6 Ų | 90.6 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.7 | -71.7 | -20.7 | 0 | 0 | 0 | 111.3 | M249 N250 R255 R256 D257 | M249-D253 PolarHBondContact O-N 3.36Å; N250-D253 PolarHBondContact O-N 3.09Å; D253-R255 VanDerWaalsContact C-N 3.34Å; D253-R255 PolarHBondContact O-N 3.18Å; D253-R256 PolarHBondContact O-N 3.48Å; D253-D257 WeakPolarHBondContact O-CB 3.41Å; D253-D257 PolarHBondContact O-N 3.43Å |
| 254 | E | 79.8 | Confident | 81.1 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 174.8 | -75.5 | -171.8 | 151.9 | 0 | 0 | 112.5 | Q4 N250 E252 A258 | Q4-E254 PolarHBondContact NE2-OE1 3.19Å; N250-E254 WeakPolarHBondContact O-CG 3.36Å; N250-E254 PolarHBondContact O-N 2.66Å; E252-E254 VanDerWaalsContact C-N 3.33Å; E252-E254 PolarHBondContact O-N 3.08Å; E254-A258 WeakPolarHBondContact O-CB 3.48Å; E254-A258 PolarHBondContact O-N 2.96Å |
| 255 | R | 81.6 | Confident | 81.5 | Confident | 175 Ų | 175 | 95.2 Ų | 95.2 | 66% | 0.66 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.5 | -43.7 | 175.2 | -77.6 | 175.4 | 178.1 | 173.9 | 1.3 | 111.9 | T251 E252 D253 A258 Q259 | T251-R255 WeakPolarHBondContact O-CB 3.28Å; T251-R255 VanDerWaalsContact O-CG 3.29Å; T251-R255 WeakPolarHBondContact O-CG 3.47Å; T251-R255 PolarHBondContact O-N 3.09Å; E252-R255 PolarHBondContact O-N 3.45Å; D253-R255 VanDerWaalsContact C-N 3.34Å; D253-R255 PolarHBondContact O-N 3.18Å; R255-A258 PolarHBondContact O-N 2.97Å; R255-Q259 WeakPolarHBondContact O-CG 3.26Å; R255-Q259 PolarHBondContact O-N 3.2Å |
| 256 | R | 81.3 | Confident | 81.7 | Confident | 146 Ų | 146 | 99.6 Ų | 99.6 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 176.6 | -71.6 | 176.5 | -170.7 | -163.8 | 6.5 | 110.8 | E252 D253 A258 Q259 E260 | E252-R256 WeakPolarHBondContact O-CG 3.23Å; E252-R256 PolarHBondContact O-N 3.22Å; E252-R256 IonicContact OE2-NH2 3.05Å; D253-R256 PolarHBondContact O-N 3.48Å; R256-A258 VanDerWaalsContact C-N 3.33Å; R256-A258 PolarHBondContact O-N 3.43Å; R256-Q259 PolarHBondContact O-N 3.43Å; R256-E260 PolarHBondContact O-N 2.86Å |
| 257 | D | 81.9 | Confident | 81.7 | Confident | 30 Ų | 30 | 101.7 Ų | 101.7 | 16% | 0.16 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 176.3 | -81.4 | -11.4 | 0 | 0 | 0 | 113.1 | K3 D253 R261 | K3-D257 WeakPolarHBondContact CD-OD2 3.43Å; K3-D257 IonicContact NZ-OD1 3.81Å; K3-D257 PolarHBondContact NZ-OD1 3.32Å; K3-D257 IonicContact NZ-OD2 2.65Å; K3-D257 PolarHBondContact NZ-OD2 2.95Å; D253-D257 WeakPolarHBondContact O-CB 3.41Å; D253-D257 PolarHBondContact O-N 3.43Å; D257-R261 VanDerWaalsContact O-CG 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.4Å; D257-R261 PolarHBondContact O-N 2.98Å |
| 258 | A | 83.3 | Confident | 81.6 | Confident | 57 Ų | 57 | 106.4 Ų | 106.4 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E254 R255 R256 R261 A262 | E254-A258 WeakPolarHBondContact O-CB 3.48Å; E254-A258 PolarHBondContact O-N 2.96Å; R255-A258 PolarHBondContact O-N 2.97Å; R256-A258 VanDerWaalsContact C-N 3.33Å; R256-A258 PolarHBondContact O-N 3.43Å; A258-R261 PolarHBondContact O-N 3.25Å; A258-A262 WeakPolarHBondContact O-CB 3.38Å; A258-A262 PolarHBondContact O-N 3Å |
| 259 | Q | 86.1 | Confident | 81.4 | Confident | 139 Ų | 139 | 107.3 Ų | 107.3 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 175.5 | -73.3 | 174.6 | -8 | 0 | 0 | 111.8 | R255 R256 R261 A262 S263 | R255-Q259 WeakPolarHBondContact O-CG 3.26Å; R255-Q259 PolarHBondContact O-N 3.2Å; R256-Q259 PolarHBondContact O-N 3.43Å; Q259-R261 VanDerWaalsContact C-N 3.34Å; Q259-R261 PolarHBondContact O-N 2.9Å; Q259-A262 PolarHBondContact O-N 3.37Å; Q259-S263 PolarHBondContact O-N 3.39Å; Q259-S263 PolarHBondContact O-OG 3.01Å |
| 260 | E | 85.2 | Confident | 81.1 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.3 | -75 | -178.4 | 179.2 | 0 | 0 | 112.5 | R256 A262 S263 L264 | R256-E260 PolarHBondContact O-N 2.86Å; E260-A262 VanDerWaalsContact C-N 3.34Å; E260-S263 WeakPolarHBondContact CA-OG 3.49Å; E260-S263 PolarHBondContact O-OG 3.24Å; E260-L264 WeakPolarHBondContact O-CB 3.26Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.36Å; E260-L264 PolarHBondContact O-N 3.49Å; E260-L264 VanDerWaalsContact O-N 3.08Å |
| 261 | R | 84.3 | Confident | 80.2 | Confident | 150 Ų | 150 | 113.5 Ų | 113.5 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.7 | -36.3 | 175.5 | -71.6 | 175.4 | -165.4 | 161.4 | 13.2 | 112.2 | D257 A258 Q259 K265 | D257-R261 VanDerWaalsContact O-CG 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.4Å; D257-R261 PolarHBondContact O-N 2.98Å; A258-R261 PolarHBondContact O-N 3.25Å; Q259-R261 VanDerWaalsContact C-N 3.34Å; Q259-R261 PolarHBondContact O-N 2.9Å; R261-K265 WeakPolarHBondContact O-CB 3.31Å; R261-K265 PolarHBondContact O-N 3.21Å; R261-K265 VanDerWaalsContact O-N 3.1Å |
| 262 | A | 85.9 | Confident | 79.2 | Confident | 62 Ų | 62 | 115.8 Ų | 115.8 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.8 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A258 Q259 E260 K265 R266 | A258-A262 WeakPolarHBondContact O-CB 3.38Å; A258-A262 PolarHBondContact O-N 3Å; Q259-A262 PolarHBondContact O-N 3.37Å; E260-A262 VanDerWaalsContact C-N 3.34Å; A262-K265 PolarHBondContact O-N 3.43Å; A262-R266 PolarHBondContact O-N 2.9Å |
| 263 | S | 84.9 | Confident | 78.2 | Confident | 63 Ų | 63 | 114.9 Ų | 114.9 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -47.2 | 176 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | Q259 E260 K265 R266 E267 | Q259-S263 PolarHBondContact O-N 3.39Å; Q259-S263 PolarHBondContact O-OG 3.01Å; E260-S263 WeakPolarHBondContact CA-OG 3.49Å; E260-S263 PolarHBondContact O-OG 3.24Å; S263-K265 VanDerWaalsContact C-N 3.28Å; S263-K265 PolarHBondContact O-N 3.5Å; S263-R266 PolarHBondContact O-N 3.34Å; S263-R266 VanDerWaalsContact O-N 3.1Å; S263-E267 PolarHBondContact O-N 2.86Å |
| 264 | L | 86.6 | Confident | 77 | Confident | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.6 | -37.2 | 176.2 | -72.7 | 169.5 | 0 | 0 | 0 | 112.7 | E260 R268 | E260-L264 WeakPolarHBondContact O-CB 3.26Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.36Å; E260-L264 PolarHBondContact O-N 3.49Å; E260-L264 VanDerWaalsContact O-N 3.08Å; L264-R268 PolarHBondContact O-N 3.28Å; L264-R268 VanDerWaalsContact O-N 3.12Å |
| 265 | K | 84.4 | Confident | 75.8 | Confident | 156 Ų | 156 | 119.6 Ų | 119.6 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 176.1 | -163.2 | 176.1 | -177.3 | -176.5 | 0 | 111.1 | R261 A262 S263 R268 T269 | R261-K265 WeakPolarHBondContact O-CB 3.31Å; R261-K265 PolarHBondContact O-N 3.21Å; R261-K265 VanDerWaalsContact O-N 3.1Å; A262-K265 PolarHBondContact O-N 3.43Å; S263-K265 VanDerWaalsContact C-N 3.28Å; S263-K265 PolarHBondContact O-N 3.5Å; K265-R268 PolarHBondContact O-N 3.48Å; K265-T269 PolarHBondContact O-N 3.07Å; K265-T269 PolarHBondContact O-OG1 2.98Å |
| 266 | R | 82.6 | Confident | 74.3 | Confident | 210 Ų | 210 | 119.1 Ų | 119.1 | 79% | 0.792 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -38.7 | 178.3 | -162.3 | 175.5 | -172.2 | 177.5 | 1.7 | 112.4 | A262 S263 G270 | A262-R266 PolarHBondContact O-N 2.9Å; S263-R266 PolarHBondContact O-N 3.34Å; S263-R266 VanDerWaalsContact O-N 3.1Å; R266-G270 PolarHBondContact O-N 3.17Å |
| 267 | E | 79.5 | Confident | 72.7 | Confident | 138 Ų | 138 | 114.7 Ų | 114.7 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 173.7 | -76.3 | -172.1 | 160.5 | 0 | 0 | 112.6 | S263 G270 R271 | S263-E267 PolarHBondContact O-N 2.86Å; E267-G270 PolarHBondContact O-N 3.03Å; E267-R271 PolarHBondContact O-N 3.46Å |
| 268 | R | 77 | Confident | 70.9 | Confident | 192 Ų | 192 | 124.3 Ų | 124.3 | 73% | 0.725 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62 | -48.9 | 174.1 | -90.9 | -177.8 | 172 | 173.5 | -2.3 | 112 | L264 K265 G270 R271 D272 | L264-R268 PolarHBondContact O-N 3.28Å; L264-R268 VanDerWaalsContact O-N 3.12Å; K265-R268 PolarHBondContact O-N 3.48Å; R268-G270 VanDerWaalsContact C-N 3.28Å; R268-G270 PolarHBondContact O-N 3.49Å; R268-R271 PolarHBondContact O-N 3.26Å; R268-D272 PolarHBondContact O-N 2.91Å |
| 269 | T | 74.3 | Confident | 68.9 | Low | 81 Ų | 81 | 126.3 Ų | 126.3 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64 | -34.8 | 178.2 | -47.2 | 0 | 0 | 0 | 0 | 112 | K265 S273 | K265-T269 PolarHBondContact O-N 3.07Å; K265-T269 PolarHBondContact O-OG1 2.98Å; T269-S273 PolarHBondContact O-N 3.41Å; T269-S273 VanDerWaalsContact O-N 3.08Å; T269-S273 PolarHBondContact O-OG 3.22Å; T269-S273 VanDerWaalsContact O-OG 3.04Å |
| 270 | G | 68.7 | Low | 66.9 | Low | 41 Ų | 41 | 127.6 Ų | 127.6 | 42% | 0.423 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R266 E267 R268 M274 | R266-G270 PolarHBondContact O-N 3.17Å; E267-G270 PolarHBondContact O-N 3.03Å; R268-G270 VanDerWaalsContact C-N 3.28Å; R268-G270 PolarHBondContact O-N 3.49Å; G270-M274 WeakPolarHBondContact O-CB 3.24Å; G270-M274 PolarHBondContact O-N 3.24Å; G270-M274 VanDerWaalsContact O-N 3.1Å |
| 271 | R | 59.9 | Low | 64.6 | Low | 197 Ų | 197 | 127.6 Ų | 127.6 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.7 | -43 | 174 | -100.9 | -179.5 | -179.4 | 159.2 | 2.1 | 112.4 | E267 R268 S273 M274 V275 | E267-R271 PolarHBondContact O-N 3.46Å; R268-R271 PolarHBondContact O-N 3.26Å; R271-S273 PolarHBondContact O-N 3.32Å; R271-M274 PolarHBondContact O-N 3.37Å; R271-V275 WeakPolarHBondContact O-CG2 3.44Å; R271-V275 PolarHBondContact O-N 2.81Å |
| 272 | D | 58.7 | Low | 62.4 | Low | 111 Ų | 111 | 126.3 Ų | 126.3 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.1 | -40.3 | 179.3 | -70.5 | -22.4 | 0 | 0 | 0 | 111.6 | R268 M274 V275 H276 | R268-D272 PolarHBondContact O-N 2.91Å; D272-M274 VanDerWaalsContact C-N 3.34Å; D272-M274 PolarHBondContact O-N 3.43Å; D272-V275 PolarHBondContact O-N 3.01Å; D272-H276 PolarHBondContact O-N 2.83Å |
| 273 | S | 58 | Low | 60.4 | Low | 79 Ų | 79 | 131.3 Ų | 131.3 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.1 | -34.6 | 173.4 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | T269 R271 G277 | T269-S273 PolarHBondContact O-N 3.41Å; T269-S273 VanDerWaalsContact O-N 3.08Å; T269-S273 PolarHBondContact O-OG 3.22Å; T269-S273 VanDerWaalsContact O-OG 3.04Å; R271-S273 PolarHBondContact O-N 3.32Å; S273-G277 PolarHBondContact O-N 3.13Å |
| 274 | M | 54.1 | Low | 57.8 | Low | 154 Ų | 154 | 138 Ų | 138 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.1 | -26.2 | 178.8 | -157.3 | 165.9 | -173.9 | 0 | 0 | 112.6 | G270 R271 D272 | G270-M274 WeakPolarHBondContact O-CB 3.24Å; G270-M274 PolarHBondContact O-N 3.24Å; G270-M274 VanDerWaalsContact O-N 3.1Å; R271-M274 PolarHBondContact O-N 3.37Å; D272-M274 VanDerWaalsContact C-N 3.34Å; D272-M274 PolarHBondContact O-N 3.43Å |
| 275 | V | 53.3 | Low | 55.4 | Low | 111 Ų | 111 | 141 Ų | 141 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -76.4 | -38.4 | 171.2 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | R271 D272 | R271-V275 WeakPolarHBondContact O-CG2 3.44Å; R271-V275 PolarHBondContact O-N 2.81Å; D272-V275 PolarHBondContact O-N 3.01Å |
| 276 | H | 50.9 | Low | 54 | Low | 165 Ų | 165 | 139 Ų | 139 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -75.2 | -29.1 | 175.1 | -113.6 | 60.3 | 0 | 0 | 0 | 113.8 | D272 R278 | D272-H276 PolarHBondContact O-N 2.83Å; H276-R278 VanDerWaalsContact C-N 3.27Å; H276-R278 PolarHBondContact O-N 3.1Å |
| 277 | G | 46.9 | Very low | 51.5 | Low | 53 Ų | 53 | 138 Ų | 138 | 55% | 0.546 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -9.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S273 | S273-G277 PolarHBondContact O-N 3.13Š|
| 278 | R | 44.8 | Very low | 49.4 | Very low | 231 Ų | 231 | 140.1 Ų | 140.1 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -0.7 | -178.6 | -133.9 | 176.3 | -173.5 | 176.1 | 1.3 | 114.3 | H276 | H276-R278 VanDerWaalsContact C-N 3.27Å; H276-R278 PolarHBondContact O-N 3.1Å |
| 279 | S | 41.8 | Very low | 47.2 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -104.9 | 0 | -177.6 | -154.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 280 | H | 42.3 | Very low | 45.1 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -134.2 | 87 | 173.7 | -89.5 | -87.8 | 0 | 0 | 0 | 110.9 | ||||
| 281 | S | 38.4 | Very low | 43.3 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -127 | 83.4 | 161.5 | -67 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 282 | T | 38 | Very low | 41.8 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -111.8 | 109.9 | 162.5 | 39.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 283 | L | 42.6 | Very low | 40.6 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -42.5 | 130.4 | 164.9 | -90.8 | 126.5 | 0 | 0 | 0 | 112.1 | ||||
| 284 | F | 30.2 | Very low | 39.3 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | trans | -160.7 | 122.6 | 147.6 | -96.9 | -72.9 | 0 | 0 | 0 | 111.2 | ||||
| 285 | L | 36.4 | Very low | 38.2 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -163.2 | 159.2 | 150.7 | -90.7 | -177.7 | 0 | 0 | 0 | 106.4 | ||||
| 286 | P | 55.3 | Low | 37.1 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -132.9 | 171.7 | -5.7 | 35.5 | -16.8 | 0 | 0 | 0 | 113.6 | ||||
| 287 | M | 30 | Very low | 36.1 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | trans | -152.1 | 139.8 | 150.2 | -132.1 | 173 | 91.6 | 0 | 0 | 111.6 | ||||
| 288 | Q | 35.7 | Very low | 35.8 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -119.5 | 132.1 | -171.6 | 177.5 | -179.2 | 30.3 | 0 | 0 | 108.9 | ||||
| 289 | E | 30.6 | Very low | 35.3 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | 172.4 | 136.2 | 156.8 | -101.5 | 171.7 | -168.5 | 0 | 0 | 106.1 | ||||
| 290 | G | 30.9 | Very low | 35.2 | Very low | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | -171.5 | 157.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 291 | T | 31.1 | Very low | 34.7 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | 37.9 | 120.2 | 147.4 | 55.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 292 | S | 27.7 | Very low | 34.2 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | 154.2 | 124.2 | 94.2 | -155.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 293 | R | 33.9 | Very low | 33.8 | Very low | 220 Ų | 220 | 144.8 Ų | 144.8 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 38 | 122.8 | 142.7 | -71.7 | -171.8 | 167 | 175.4 | -2.6 | 124.1 | ||||
| 294 | T | 30.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | 78.6 | 128.9 | 125.4 | 57.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 295 | N | 30.4 | Very low | 33 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | 96.3 | 128 | 133.3 | -77.3 | -20.8 | 0 | 0 | 0 | 122.2 | ||||
| 296 | L | 29.6 | Very low | 32.5 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | trans | 69.3 | 113.1 | 133.5 | -70.8 | 157.8 | 0 | 0 | 0 | 120.9 | ||||
| 297 | I | 31.1 | Very low | 31.1 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 66.4 | 145.5 | 131 | -63.8 | 178.5 | 0 | 0 | 0 | 119 | ||||
| 298 | P | 40.7 | Very low | 30.9 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -103.3 | 157.3 | -165.7 | 35.6 | -21.8 | 0 | 0 | 0 | 115.6 | ||||
| 299 | S | 34.1 | Very low | 30.5 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 63.5 | 147.5 | 158.4 | -142.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 300 | P | 39.3 | Very low | 30.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | -137.8 | 136.4 | 106.3 | 30.1 | -12.9 | 0 | 0 | 0 | 112 | |||||
| 301 | A | 30.8 | Very low | 30.5 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 57% | 0.57 | 74% | 0.742 | S | S | * | * | 71.5 | 111.1 | 76.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 302 | E | 28.8 | Very low | 30.2 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | -128.7 | 104.1 | 129.7 | -72.4 | -169 | 134.3 | 0 | 0 | 103.5 | |||||
| 303 | D | 29.3 | Very low | 30 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | 52.8 | 125.8 | 77.1 | -67 | -21.8 | 0 | 0 | 0 | 111.2 | |||||
| 304 | T | 28.4 | Very low | 29.5 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | -169.3 | 122.8 | 57.7 | -66.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 305 | E | 28.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | 66.5 | 144.6 | 130.4 | -72 | -169.3 | 118.8 | 0 | 0 | 121.2 | ||||
| 306 | R | 25.8 | Very low | 29 | Very low | 180 Ų | 180 | 144 Ų | 144 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | cis | -166.1 | 132.7 | 25.1 | -117.2 | 167.1 | -154 | -174 | 17.9 | 108.3 | ||||
| 307 | Q | 26.1 | Very low | 28.7 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | 90.8 | 127.8 | 90.3 | -163.7 | 169.7 | 33.3 | 0 | 0 | 110.6 | |||||
| 308 | E | 26.4 | Very low | 28.3 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | cis | -166.6 | 153.8 | 35.3 | -140.1 | 154.4 | -142.8 | 0 | 0 | 111.8 | ||||
| 309 | S | 27.5 | Very low | 27.7 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -111.1 | 174.4 | 165.2 | -34.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 310 | P | 34.9 | Very low | 27.1 | Very low | 115 Ų | 115 | 156 Ų | 156 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | -163.7 | 163 | 73 | 40.3 | -16.4 | 0 | 0 | 0 | 120.6 | |||||
| 311 | C | 24.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 156 Ų | 156 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 72.5 | 112.9 | 135.8 | -73.6 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 312 | R | 24.7 | Very low | 27.1 | Very low | 233 Ų | 233 | 156.4 Ų | 156.4 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | 19.1 | 134.3 | 126.5 | -70.9 | -176.7 | 176.3 | -166.9 | 0.6 | 121.1 | |||||
| 313 | H | 24.4 | Very low | 26.9 | Very low | 192 Ų | 192 | 159.3 Ų | 159.3 | 89% | 0.889 | 77% | 0.774 | S | S | * | * | -165.4 | 155.8 | 111.2 | -115.7 | -91.3 | 0 | 0 | 0 | 114 | |||||
| 314 | R | 23.5 | Very low | 26.7 | Very low | 215 Ų | 215 | 163.8 Ų | 163.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -98.1 | 140.4 | -173.7 | -167.1 | -170.3 | -146.4 | -149.8 | 6.4 | 108.1 | ||||
| 315 | L | 25.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 169.2 Ų | 169.2 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | 169.6 | 144.8 | 95 | -113.7 | 107.2 | 0 | 0 | 0 | 112.1 | |||||
| 316 | H | 24.3 | Very low | 26.5 | Very low | 157 Ų | 157 | 168.9 Ų | 168.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 57.3 | 121.3 | 143.3 | -83.1 | -122.3 | 0 | 0 | 0 | 122.9 | ||||
| 317 | F | 24.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 168.1 Ų | 168.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -165.9 | 152.5 | 99.9 | -129.6 | -99.5 | 0 | 0 | 0 | 113.1 | |||||
| 318 | R | 23 | Very low | 26.6 | Very low | 222 Ų | 222 | 167.1 Ų | 167.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -104.9 | 149.1 | -172.8 | 177.4 | -178.3 | -173.6 | 168.2 | 1.3 | 108.9 | ||||
| 319 | I | 26.7 | Very low | 26.6 | Very low | 157 Ų | 157 | 164.4 Ų | 164.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | 168.3 | 133.1 | 131.2 | -82.1 | 155.4 | 0 | 0 | 0 | 110.3 | ||||
| 320 | K | 22.7 | Very low | 26.5 | Very low | 190 Ų | 190 | 165.1 Ų | 165.1 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -94.2 | -160.1 | 174 | -71.6 | -174.1 | 171.6 | -178.3 | 0 | 109.7 | ||||
| 321 | P | 44.7 | Very low | 26.2 | Very low | 122 Ų | 122 | 164.3 Ų | 164.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -131.2 | -172.2 | -72.4 | 38.7 | -20.9 | 0 | 0 | 0 | 113.1 | |||||
| 322 | G | 24.3 | Very low | 26.3 | Very low | 77 Ų | 77 | 163.6 Ų | 163.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 112.9 | 142 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 323 | R | 24.3 | Very low | 26.5 | Very low | 255 Ų | 255 | 160.1 Ų | 160.1 | 96% | 0.962 | 79% | 0.786 | S | S | * | * | cis | -167.5 | 155.5 | 38 | -152.3 | 178.6 | -161.4 | 176.5 | 3.8 | 111.1 | ||||
| 324 | R | 25.6 | Very low | 26.6 | Very low | 231 Ų | 231 | 157.6 Ų | 157.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 160 | 169.4 | -66.9 | 177.3 | -178.9 | -173.2 | -0.8 | 113.7 | ||||
| 325 | R | 25 | Very low | 26.9 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | 168.2 | 120.5 | 115.2 | -135.1 | 159.1 | 177.7 | -169.6 | -0.4 | 110 | |||||
| 326 | E | 27.5 | Very low | 27.1 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 61% | 0.607 | 79% | 0.786 | S | S | * | * | 86.5 | 126.6 | 77.1 | -138.2 | 164.5 | -133.1 | 0 | 0 | 114.6 | |||||
| 327 | E | 28 | Very low | 27.2 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | 73.2 | 145.7 | 155.8 | -74.8 | 171.1 | -175.7 | 0 | 0 | 120 | ||||
| 328 | T | 26.3 | Very low | 27.5 | Very low | 118 Ų | 118 | 147 Ų | 147 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | cis | -166.9 | 145.9 | 19.8 | 2.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 329 | S | 25.5 | Very low | 27.8 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 42.7 | 151 | 139.8 | 78.1 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 330 | V | 27.2 | Very low | 27.7 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | 107.1 | 123.8 | 140.7 | -137 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 331 | S | 26.8 | Very low | 27.8 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 67.1 | 117.9 | 146 | 47.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 332 | S | 27.8 | Very low | 26.9 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 65.9 | 110.4 | 75.2 | 163.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 333 | L | 28.8 | Very low | 26.9 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 170.4 | 110.8 | 132.2 | -88.9 | 159.9 | 0 | 0 | 0 | 108.4 | ||||
| 334 | C | 26.8 | Very low | 27 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -137.6 | 98.9 | 161.4 | -153.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 335 | S | 28.8 | Very low | 27 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -116 | 149.7 | 169.9 | -80.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 336 | S | 30.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 82.5 | 112.6 | 147.6 | 34.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 337 | C | 27 | Very low | 26.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | 76.9 | 112.9 | 122.4 | -64.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 338 | V | 30.9 | Very low | 27.2 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | -138.9 | 138.6 | 126.6 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 339 | C | 27.5 | Very low | 27.1 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -85.5 | 162.2 | -160.7 | -60.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 340 | Y | 25.9 | Very low | 27.4 | Very low | 216 Ų | 216 | 136.7 Ų | 136.7 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -63.6 | 134.8 | 160.2 | -168.4 | -94.2 | 0 | 0 | 0 | 112.8 | ||||
| 341 | R | 24.6 | Very low | 27.2 | Very low | 248 Ų | 248 | 137.8 Ų | 137.8 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -164.9 | 155.5 | 139.1 | -136.9 | 174.8 | -176.2 | 170 | 0.7 | 113 | ||||
| 342 | S | 25 | Very low | 27.3 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | trans | -113.9 | 153.4 | -159 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 343 | E | 24.1 | Very low | 27.2 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -164.9 | 108.3 | 156.2 | -101.2 | 173.1 | 173.7 | 0 | 0 | 106 | ||||
| 344 | V | 27.6 | Very low | 27.1 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 74.4 | 113.2 | 71.2 | -179.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 345 | C | 24.5 | Very low | 27.1 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 62.4 | 116.8 | 154.5 | -67.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 346 | D | 24.1 | Very low | 27 | Very low | 165 Ų | 165 | 152 Ų | 152 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | -172.9 | 127.9 | 107.5 | -91.8 | -31.6 | 0 | 0 | 0 | 111.9 | |||||
| 347 | D | 25.5 | Very low | 27.2 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -126.8 | 142.8 | 156.9 | -120.6 | -35.5 | 0 | 0 | 0 | 103.3 | ||||
| 348 | P | 35.3 | Very low | 27.1 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -156.8 | 145.3 | 60.4 | 37 | -15.7 | 0 | 0 | 0 | 116 | |||||
| 349 | V | 25.5 | Very low | 27 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -146.1 | 108.7 | 151.1 | -174.9 | 0 | 0 | 0 | 0 | 112 | N351 | V349-N351 PolarHBondContact O-N 3.09Š| ||
| 350 | V | 31 | Very low | 26.9 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -61.1 | 118.5 | 160.1 | 169.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 351 | N | 23.6 | Very low | 27 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -117.6 | 106.4 | 166.1 | -130.5 | -8 | 0 | 0 | 0 | 110.3 | V349 | V349-N351 PolarHBondContact O-N 3.09Š| ||
| 352 | R | 28.8 | Very low | 27.2 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -89.5 | 105.9 | 175.2 | -160.5 | -178.7 | -167.2 | -173.7 | 4.3 | 106.7 | ||||
| 353 | S | 25.9 | Very low | 27.5 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -136.5 | 110.6 | 171.1 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 354 | K | 25.8 | Very low | 27.7 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 59.4 | 103.7 | 138.4 | -63.4 | -178.8 | 179.4 | 178 | 0 | 118.4 | H356 | K354-H356 PolarHBondContact O-N 3.12Š| ||
| 355 | H | 28 | Very low | 27.9 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -38 | 121.4 | 144.2 | -83.2 | -85.7 | 0 | 0 | 0 | 111.7 | ||||
| 356 | H | 26.6 | Very low | 28.3 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -127.5 | 117.4 | 148.1 | -98.2 | 41.5 | 0 | 0 | 0 | 107 | K354 G358 | K354-H356 PolarHBondContact O-N 3.12Å; H356-G358 PolarHBondContact O-N 3.21Å | ||
| 357 | G | 35.2 | Very low | 28.6 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 114.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 358 | G | 24.1 | Very low | 28.9 | Very low | 64 Ų | 64 | 143.8 Ų | 143.8 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | -108.4 | 117.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | H356 M360 | H356-G358 PolarHBondContact O-N 3.21Å; G358-M360 PolarHBondContact O-N 2.63Å | ||
| 359 | H | 28.2 | Very low | 28.6 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | trans | -46.3 | 111.5 | 168.8 | -108.1 | -63.1 | 0 | 0 | 0 | 110.1 | N361 | H359-N361 PolarHBondContact O-N 3.02Š| ||
| 360 | M | 26.8 | Very low | 29 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -71.9 | 110.7 | 166.3 | -77.6 | 174.7 | 78.5 | 0 | 0 | 107.9 | G358 S362 | G358-M360 PolarHBondContact O-N 2.63Å; M360-S362 PolarHBondContact O-N 2.99Å | ||
| 361 | N | 26.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -64.5 | 128.1 | 166.7 | -86.2 | -30.1 | 0 | 0 | 0 | 109.4 | H359 V363 | H359-N361 PolarHBondContact O-N 3.02Å; N361-V363 PolarHBondContact O-N 3.15Å; N361-V363 VanDerWaalsContact O-N 3.12Å | ||
| 362 | S | 29.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -64.6 | 108.2 | 171.9 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | M360 Y364 | M360-S362 PolarHBondContact O-N 2.99Å; S362-Y364 PolarHBondContact O-N 3.43Å | ||
| 363 | V | 32.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 58% | 0.576 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 105.9 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | N361 Y365 | N361-V363 PolarHBondContact O-N 3.15Å; N361-V363 VanDerWaalsContact O-N 3.12Å; V363-Y365 HydrophobicContact CG1-CD2 4.15Å; V363-Y365 HydrophobicContact CG1-CE2 3.94Å; V363-Y365 PolarHBondContact O-N 3.28Å; V363-Y365 VanDerWaalsContact O-N 3.15Å | ||
| 364 | Y | 26.6 | Very low | 29.3 | Very low | 191 Ų | 191 | 142 Ų | 142 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 108.6 | 170.4 | -88.5 | -95.8 | 0 | 0 | 0 | 109.1 | S362 | S362-Y364 PolarHBondContact O-N 3.43Š| ||
| 365 | Y | 32.9 | Very low | 29.3 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | -89.7 | 144.9 | 154 | -84.3 | -86.8 | 0 | 0 | 0 | 108.4 | V363 S367 | V363-Y365 HydrophobicContact CG1-CD2 4.15Å; V363-Y365 HydrophobicContact CG1-CE2 3.94Å; V363-Y365 PolarHBondContact O-N 3.28Å; V363-Y365 VanDerWaalsContact O-N 3.15Å; Y365-S367 PolarHBondContact O-N 3.44Å; Y365-S367 PolarHBondContact O-OG 3.17Å | ||
| 366 | N | 32.2 | Very low | 29.2 | Very low | 182 Ų | 182 | 135 Ų | 135 | 97% | 0.973 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -40.7 | 96 | 179.5 | -84.1 | -20 | 0 | 0 | 0 | 112.1 | ||
| 367 | S | 31.6 | Very low | 29.2 | Very low | 75 Ų | 75 | 132 Ų | 132 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | trans | -142.2 | 117.3 | 165.5 | 48.9 | 0 | 0 | 0 | 0 | 105.2 | Y365 S369 | Y365-S367 PolarHBondContact O-N 3.44Å; Y365-S367 PolarHBondContact O-OG 3.17Å; S367-S369 PolarHBondContact O-N 3.01Å | ||
| 368 | V | 31 | Very low | 28.8 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -64.2 | 90.9 | 168 | 177.1 | 0 | 0 | 0 | 0 | 106.2 | Y370 | V368-Y370 PolarHBondContact O-N 3.08Š| ||
| 369 | S | 27.7 | Very low | 29 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -83.7 | 104.2 | 173.3 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | S367 | S367-S369 PolarHBondContact O-N 3.01Š| ||
| 370 | Y | 34.2 | Very low | 29 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 44% | 0.435 | 75% | 0.752 | S | S | . | * | trans | -90.1 | 132 | 172.6 | 53.2 | -92.7 | 0 | 0 | 0 | 110.4 | R38 E42 V368 I372 | R38-Y370 VanDerWaalsContact NH2-CE1 3.3Å; R38-Y370 PolarHBondContact NH2-OH 3.32Å; E42-Y370 PolarHBondContact OE1-OH 3.13Å; V368-Y370 PolarHBondContact O-N 3.08Å; Y370-I372 HydrophobicContact CD2-CG1 4.32Å; Y370-I372 HydrophobicContact CE2-CG1 4.37Å | ||
| 371 | R | 26.5 | Very low | 29.1 | Very low | 222 Ų | 222 | 141.3 Ų | 141.3 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | -76.6 | 122.4 | 174.2 | -156.7 | -176.6 | -153.5 | 172.4 | 5.2 | 108.3 | E373 | R371-E373 PolarHBondContact O-N 2.95Š| ||
| 372 | I | 32.5 | Very low | 29.2 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -83.7 | 103.1 | 169.9 | -59.1 | -179.1 | 0 | 0 | 0 | 107.4 | Y370 G374 | Y370-I372 HydrophobicContact CD2-CG1 4.32Å; Y370-I372 HydrophobicContact CE2-CG1 4.37Å; I372-G374 PolarHBondContact O-N 3.42Å | ||
| 373 | E | 28.6 | Very low | 29.2 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 103.9 | 160.8 | -82 | -176.1 | 173.7 | 0 | 0 | 108.4 | R371 C375 | R371-E373 PolarHBondContact O-N 2.95Å; E373-C375 PolarHBondContact O-N 3.2Å; E373-C375 VanDerWaalsContact O-N 3.16Å | ||
| 374 | G | 28.2 | Very low | 29 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -74.5 | 98 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I372 S376 | I372-G374 PolarHBondContact O-N 3.42Å; G374-S376 PolarHBondContact O-N 3.05Å | ||
| 375 | C | 25.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 86% | 0.858 | 77% | 0.771 | S | S | * | * | trans | -79.1 | 102.3 | 165.9 | -146.8 | 0 | 0 | 0 | 0 | 108.6 | E373 S377 | E373-C375 PolarHBondContact O-N 3.2Å; E373-C375 VanDerWaalsContact O-N 3.16Å; C375-S377 PolarHBondContact O-N 3.21Å; C375-S377 VanDerWaalsContact O-N 3.1Å | ||
| 376 | S | 26.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -71.3 | 94.9 | 172.4 | 161.3 | 0 | 0 | 0 | 0 | 109.8 | G374 R378 | G374-S376 PolarHBondContact O-N 3.05Å; S376-R378 PolarHBondContact O-N 3.31Å | ||
| 377 | S | 26.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -86.3 | 97.4 | 162 | 42.3 | 0 | 0 | 0 | 0 | 108.9 | C375 S379 | C375-S377 PolarHBondContact O-N 3.21Å; C375-S377 VanDerWaalsContact O-N 3.1Å; S377-S379 PolarHBondContact O-N 3.37Å | ||
| 378 | R | 26.1 | Very low | 29.1 | Very low | 232 Ų | 232 | 139.5 Ų | 139.5 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -86.5 | 103.8 | 170.9 | -155.2 | 174.1 | -169.8 | -178.4 | 3.2 | 107.6 | S376 | S376-R378 PolarHBondContact O-N 3.31Š| ||
| 379 | S | 28 | Very low | 28.9 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -62.1 | 139.2 | 166.1 | 75.4 | 0 | 0 | 0 | 0 | 108.9 | S377 | S377-S379 PolarHBondContact O-N 3.37Š| ||
| 380 | R | 28.7 | Very low | 28.8 | Very low | 246 Ų | 246 | 136.7 Ų | 136.7 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -136.7 | 100.9 | 165.4 | -134.2 | 178.4 | 169.5 | 168.7 | -4.1 | 106.2 | ||||
| 381 | D | 28.9 | Very low | 28.5 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -60.7 | 134.9 | 168.9 | -64.5 | -44.8 | 0 | 0 | 0 | 109.4 | ||||
| 382 | N | 28.9 | Very low | 28.6 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -156.1 | 130.3 | 136.8 | -113.5 | 3.1 | 0 | 0 | 0 | 111.4 | ||||
| 383 | T | 29.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -40.7 | 145.7 | 174.1 | 46.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 384 | G | 27.9 | Very low | 28.9 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 168.9 | 133.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 385 | L | 29.1 | Very low | 28.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 163.3 | -166.8 | -82.8 | 79.5 | 0 | 0 | 0 | 117.7 | ||||
| 386 | S | 28.2 | Very low | 28.9 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 85.7 | 112.5 | 138.4 | 47.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 387 | S | 29.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | 46.7 | 152.6 | 137.5 | -59.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 388 | P | 38.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -100.6 | 150.3 | -165.2 | 38.4 | -30.4 | 0 | 0 | 0 | 114.4 | ||||
| 389 | G | 27 | Very low | 28.9 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -174.7 | 108.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 390 | S | 26.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 52.5 | 122.9 | 135.8 | 60.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 391 | T | 27.7 | Very low | 28.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | 49.2 | 122.9 | 137.2 | 44.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 392 | L | 28 | Very low | 28.7 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | 161.7 | 127.8 | 119 | -90.4 | 148.1 | 0 | 0 | 0 | 111.7 | |||||
| 393 | S | 25.2 | Very low | 28.7 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -69.4 | 178.1 | 153.2 | -46.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 394 | P | 42.3 | Very low | 28.8 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -145.3 | -175.9 | 11.5 | 41.5 | -19.7 | 0 | 0 | 0 | 116.5 | ||||
| 395 | E | 25.9 | Very low | 28.8 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 60.5 | 119.2 | 148.8 | -77.4 | -177.4 | 151.1 | 0 | 0 | 121.6 | ||||
| 396 | H | 28.1 | Very low | 28.8 | Very low | 180 Ų | 180 | 145 Ų | 145 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | -169.5 | 127 | 110.9 | -109.3 | -76.9 | 0 | 0 | 0 | 112.1 | |||||
| 397 | S | 25.5 | Very low | 28.9 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 140.1 | 166.1 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 398 | F | 26.5 | Very low | 28.8 | Very low | 214 Ų | 214 | 148.1 Ų | 148.1 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -153.7 | 144.2 | 143.6 | -116.1 | -81.8 | 0 | 0 | 0 | 111.8 | ||||
| 399 | Q | 26.9 | Very low | 28.8 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -107.6 | 152.9 | -161.6 | -176.1 | 177.7 | -8.9 | 0 | 0 | 110.6 | ||||
| 400 | E | 26.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | trans | 64 | 122.1 | 155.2 | -84.5 | 166.2 | -156.6 | 0 | 0 | 121.3 | ||||
| 401 | F | 27.2 | Very low | 29 | Very low | 185 Ų | 185 | 159 Ų | 159 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | -176.5 | 150.2 | 94 | -117.3 | -88.1 | 0 | 0 | 0 | 112.9 | |||||
| 402 | S | 27.4 | Very low | 29.1 | Very low | 97 Ų | 97 | 160.9 Ų | 160.9 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | trans | -62.1 | 147.4 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 403 | S | 28.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 160.2 Ų | 160.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -158.7 | 116.7 | 137 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 404 | L | 31.7 | Very low | 29.4 | Very low | 176 Ų | 176 | 163.7 Ų | 163.7 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -58.2 | 133.8 | 159.2 | -82.5 | 140.4 | 0 | 0 | 0 | 110.8 | ||||
| 405 | R | 29 | Very low | 28.5 | Very low | 225 Ų | 225 | 167.4 Ų | 167.4 | 85% | 0.849 | 83% | 0.834 | S | S | * | * | trans | -150.5 | 103.8 | 150.1 | -134.4 | 177.1 | -159.4 | -178.1 | 7.1 | 112.4 | ||||
| 406 | R | 29 | Very low | 28.7 | Very low | 241 Ų | 241 | 167.3 Ų | 167.3 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -49.2 | 137.6 | 150.9 | -99.3 | 176.8 | -173.6 | 167.3 | 3.3 | 109.5 | ||||
| 407 | K | 29 | Very low | 28.8 | Very low | 185 Ų | 185 | 166.3 Ų | 166.3 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -152.5 | 117.6 | 140.4 | -105.5 | 179.4 | -174.9 | -171.8 | 0 | 110 | ||||
| 408 | S | 27.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 171.9 Ų | 171.9 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | -63.9 | 135.3 | 154.6 | 49 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 409 | V | 39 | Very low | 29.3 | Very low | 217 Ų | 217 | 168.1 Ų | 168.1 | 100% | 1.315 | 84% | 0.842 | S | S | * | * | -144.2 | 0 | 120.2 | 176.2 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 409 of 409 residues in 203.8 ms
(Link to these results)