| 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 | 61.8 | Low | 77 | Confident | 207 Ų | 207 | 114.6 Ų | 114.6 | 100% | 1.02 | 61% | 0.612 | S | S | * | * | 0 | -47.2 | 0 | -62 | -55.1 | -97.2 | 0 | 0 | 113.7 | T3 L4 A5 | M1-T3 PolarHBondContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-A5 PolarHBondContact O-N 2.83Å | |||
| 2 | A | 70.8 | Confident | 77.3 | Confident | 69 Ų | 69 | 110.9 Ų | 110.9 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.9 | -19.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | R6 | A2-R6 WeakPolarHBondContact O-CG 3.31Å; A2-R6 PolarHBondContact O-NE 3.42Å; A2-R6 VanDerWaalsContact O-NE 3.08Å |
| 3 | T | 75 | Confident | 77.9 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79.8 | -43.6 | 176.9 | 45.8 | 0 | 0 | 0 | 0 | 112 | M1 R6 L7 | M1-T3 PolarHBondContact O-N 3.14Å; T3-R6 PolarHBondContact O-N 3.25Å; T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.18Å |
| 4 | L | 77.8 | Confident | 78.6 | Confident | 101 Ų | 101 | 105.8 Ų | 105.8 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -41.4 | 179.2 | -168.2 | 146.8 | 0 | 0 | 0 | 111.6 | M1 R6 L7 Q8 | M1-L4 PolarHBondContact O-N 3.4Å; L4-R6 PolarHBondContact O-N 2.97Å; L4-L7 PolarHBondContact O-N 3.18Å; L4-Q8 VanDerWaalsContact CD2-CD 3.5Å; L4-Q8 HydrophobicContact CD2-CG 4.19Å; L4-Q8 WeakPolarHBondContact O-CG 3.41Å; L4-Q8 PolarHBondContact O-N 2.99Å |
| 5 | A | 78.9 | Confident | 79.2 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 Q8 A9 | M1-A5 PolarHBondContact O-N 2.83Å; A5-Q8 PolarHBondContact O-N 3.37Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 3.35Å |
| 6 | R | 78.4 | Confident | 79.7 | Confident | 169 Ų | 169 | 101.4 Ų | 101.4 | 64% | 0.638 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.5 | -38.7 | 174.4 | -80.4 | -175.5 | -75.6 | 174 | -4.3 | 112.6 | A2 T3 L4 R10 | A2-R6 WeakPolarHBondContact O-CG 3.31Å; A2-R6 PolarHBondContact O-NE 3.42Å; A2-R6 VanDerWaalsContact O-NE 3.08Å; T3-R6 PolarHBondContact O-N 3.25Å; L4-R6 PolarHBondContact O-N 2.97Å; R6-R10 VanDerWaalsContact O-CB 3.31Å; R6-R10 WeakPolarHBondContact O-CB 3.28Å; R6-R10 PolarHBondContact O-N 3.12Å |
| 7 | L | 79.7 | Confident | 80.1 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.6 | -40.2 | 176.3 | -71.5 | 172 | 0 | 0 | 0 | 111.9 | T3 L4 R10 S11 | T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.18Å; L4-L7 PolarHBondContact O-N 3.18Å; L7-R10 PolarHBondContact O-N 3.02Å; L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 2.7Å |
| 8 | Q | 80.4 | Confident | 80.6 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -43.8 | 174.1 | -76.5 | 176.7 | -30.2 | 0 | 0 | 111.8 | L4 A5 R10 S11 | L4-Q8 VanDerWaalsContact CD2-CD 3.5Å; L4-Q8 HydrophobicContact CD2-CG 4.19Å; L4-Q8 WeakPolarHBondContact O-CG 3.41Å; L4-Q8 PolarHBondContact O-N 2.99Å; A5-Q8 PolarHBondContact O-N 3.37Å; Q8-R10 VanDerWaalsContact C-N 3.33Å; Q8-R10 PolarHBondContact O-N 3.05Å; Q8-S11 WeakPolarHBondContact O-CB 3.4Å; Q8-S11 PolarHBondContact O-N 3.43Å |
| 9 | A | 78.2 | Confident | 81.1 | Confident | 61 Ų | 61 | 106.7 Ų | 106.7 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.1 | -44.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A5 S12 | A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 3.35Å; A9-S12 PolarHBondContact O-OG 3.19Å |
| 10 | R | 81.1 | Confident | 81.5 | Confident | 181 Ų | 181 | 108.5 Ų | 108.5 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.8 | -28.4 | 179.5 | -162.9 | 171.4 | -176.2 | 174.7 | 0.8 | 113.5 | R6 L7 Q8 S12 T13 V14 | R6-R10 VanDerWaalsContact O-CB 3.31Å; R6-R10 WeakPolarHBondContact O-CB 3.28Å; R6-R10 PolarHBondContact O-N 3.12Å; L7-R10 PolarHBondContact O-N 3.02Å; Q8-R10 VanDerWaalsContact C-N 3.33Å; Q8-R10 PolarHBondContact O-N 3.05Å; R10-S12 VanDerWaalsContact C-N 3.32Å; R10-S12 PolarHBondContact O-N 2.86Å; R10-T13 PolarHBondContact O-N 3.07Å; R10-V14 HydrophobicContact CG-CG2 4.32Å; R10-V14 VanDerWaalsContact O-CG2 3.29Å; R10-V14 WeakPolarHBondContact O-CG2 3.28Å; R10-V14 PolarHBondContact O-N 3.34Å |
| 11 | S | 84.4 | Confident | 81.7 | Confident | 81 Ų | 81 | 111.4 Ų | 111.4 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60 | -42 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | L7 Q8 V14 G15 | L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 2.7Å; Q8-S11 WeakPolarHBondContact O-CB 3.4Å; Q8-S11 PolarHBondContact O-N 3.43Å; S11-V14 PolarHBondContact O-N 3.23Å; S11-G15 PolarHBondContact O-N 3.24Å |
| 12 | S | 81 | Confident | 82.9 | Confident | 70 Ų | 70 | 104.4 Ų | 104.4 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.6 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | A9 R10 G15 N16 | A9-S12 PolarHBondContact O-OG 3.19Å; R10-S12 VanDerWaalsContact C-N 3.32Å; R10-S12 PolarHBondContact O-N 2.86Å; S12-G15 PolarHBondContact O-N 2.83Å; S12-N16 VanDerWaalsContact O-CG 3.32Å; S12-N16 PolarHBondContact O-N 3.03Å |
| 13 | T | 85.6 | Confident | 83.7 | Confident | 71 Ų | 71 | 104.3 Ų | 104.3 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 176.8 | -44 | 0 | 0 | 0 | 0 | 111.8 | R10 N16 Q17 | R10-T13 PolarHBondContact O-N 3.07Å; T13-N16 PolarHBondContact O-N 3.06Å; T13-Q17 WeakPolarHBondContact O-CB 3.43Å; T13-Q17 VanDerWaalsContact O-CG 3.3Å; T13-Q17 WeakPolarHBondContact O-CG 3.27Å; T13-Q17 PolarHBondContact O-N 3.01Å |
| 14 | V | 86.7 | Confident | 84.3 | Confident | 79 Ų | 79 | 103.3 Ų | 103.3 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | R10 S11 Q17 Y18 | R10-V14 HydrophobicContact CG-CG2 4.32Å; R10-V14 VanDerWaalsContact O-CG2 3.29Å; R10-V14 WeakPolarHBondContact O-CG2 3.28Å; R10-V14 PolarHBondContact O-N 3.34Å; S11-V14 PolarHBondContact O-N 3.23Å; V14-Q17 PolarHBondContact O-N 2.97Å; V14-Y18 WeakPolarHBondContact O-CB 3.2Å; V14-Y18 PolarHBondContact O-N 3.3Å |
| 15 | G | 87.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 102.5 Ų | 102.5 | 27% | 0.268 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -50.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S11 S12 Q17 Y18 Y19 | S11-G15 PolarHBondContact O-N 3.24Å; S12-G15 PolarHBondContact O-N 2.83Å; G15-Q17 VanDerWaalsContact C-N 3.35Å; G15-Q17 PolarHBondContact O-N 3.27Å; G15-Y18 WeakPolarHBondContact O-CB 3.34Å; G15-Y18 PolarHBondContact O-N 3.01Å; G15-Y18 VanDerWaalsContact O-N 3.15Å; G15-Y19 WeakPolarHBondContact O-CD2 3.14Å; G15-Y19 PolarHBondContact O-N 3.35Å |
| 16 | N | 87.3 | Confident | 85.2 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -40.2 | 178.2 | -70.1 | -14.1 | 0 | 0 | 0 | 112.5 | S12 T13 Y18 Y19 F20 | S12-N16 VanDerWaalsContact O-CG 3.32Å; S12-N16 PolarHBondContact O-N 3.03Å; T13-N16 PolarHBondContact O-N 3.06Å; N16-Y18 VanDerWaalsContact C-N 3.34Å; N16-Y19 PolarHBondContact O-N 3.4Å; N16-F20 WeakPolarHBondContact O-CB 3.48Å; N16-F20 PolarHBondContact O-N 3.03Å |
| 17 | Q | 87.1 | Confident | 85.7 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 174.6 | -76.3 | -180 | -0.7 | 0 | 0 | 112.3 | T13 V14 G15 R21 | T13-Q17 WeakPolarHBondContact O-CB 3.43Å; T13-Q17 VanDerWaalsContact O-CG 3.3Å; T13-Q17 WeakPolarHBondContact O-CG 3.27Å; T13-Q17 PolarHBondContact O-N 3.01Å; V14-Q17 PolarHBondContact O-N 2.97Å; G15-Q17 VanDerWaalsContact C-N 3.35Å; G15-Q17 PolarHBondContact O-N 3.27Å; Q17-R21 WeakPolarHBondContact O-CB 3.38Å; Q17-R21 VanDerWaalsContact O-CG 3.23Å; Q17-R21 WeakPolarHBondContact O-CG 3.39Å; Q17-R21 PolarHBondContact O-N 3.15Å |
| 18 | Y | 88.6 | Confident | 86.2 | Confident | 137 Ų | 137 | 97.4 Ų | 97.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 176.1 | 174.9 | -98 | 0 | 0 | 0 | 111.6 | V14 G15 N16 F20 R21 N22 | V14-Y18 WeakPolarHBondContact O-CB 3.2Å; V14-Y18 PolarHBondContact O-N 3.3Å; G15-Y18 WeakPolarHBondContact O-CB 3.34Å; G15-Y18 PolarHBondContact O-N 3.01Å; G15-Y18 VanDerWaalsContact O-N 3.15Å; N16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-F20 PolarHBondContact O-N 3.22Å; Y18-R21 PolarHBondContact O-N 2.98Å; Y18-N22 WeakPolarHBondContact CE1-ND2 3.21Å; Y18-N22 PolarHBondContact O-N 2.69Å; Y18-N22 PolarHBondContact OH-ND2 3.39Å; Y18-N22 VanDerWaalsContact OH-ND2 3.14Å |
| 19 | Y | 89.4 | Confident | 86.7 | Confident | 164 Ų | 164 | 97.8 Ų | 97.8 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 177.2 | -76.1 | -68.2 | 0 | 0 | 0 | 112.1 | G15 N16 N22 S23 | G15-Y19 WeakPolarHBondContact O-CD2 3.14Å; G15-Y19 PolarHBondContact O-N 3.35Å; N16-Y19 PolarHBondContact O-N 3.4Å; Y19-N22 PolarHBondContact O-N 2.83Å; Y19-S23 WeakPolarHBondContact O-CB 3.48Å; Y19-S23 PolarHBondContact O-N 3.3Å; Y19-S23 PolarHBondContact O-OG 3.39Å |
| 20 | F | 89.3 | Confident | 87.3 | Confident | 141 Ų | 141 | 99.5 Ų | 99.5 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 177 | -176.3 | -99.4 | 0 | 0 | 0 | 111.5 | N16 Y18 N22 S23 V24 | N16-F20 WeakPolarHBondContact O-CB 3.48Å; N16-F20 PolarHBondContact O-N 3.03Å; Y18-F20 PolarHBondContact O-N 3.22Å; F20-N22 PolarHBondContact O-N 3.34Å; F20-S23 WeakPolarHBondContact CA-OG 3.42Å; F20-S23 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-OG 3.43Å; F20-V24 HydrophobicContact CD1-CG2 4.29Å; F20-V24 HydrophobicContact CE1-CG2 3.9Å; F20-V24 HydrophobicContact CE2-CG2 4.31Å; F20-V24 HydrophobicContact CZ-CG2 3.92Å; F20-V24 WeakPolarHBondContact O-CG2 3.24Å; F20-V24 PolarHBondContact O-N 3.16Å |
| 21 | R | 86.9 | Confident | 87.9 | Confident | 171 Ų | 171 | 97.5 Ų | 97.5 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.2 | -45.2 | 175.7 | -76.3 | 175.2 | 179 | -167.2 | 0.3 | 112.3 | Q17 Y18 V24 V25 | Q17-R21 WeakPolarHBondContact O-CB 3.38Å; Q17-R21 VanDerWaalsContact O-CG 3.23Å; Q17-R21 WeakPolarHBondContact O-CG 3.39Å; Q17-R21 PolarHBondContact O-N 3.15Å; Y18-R21 PolarHBondContact O-N 2.98Å; R21-V24 PolarHBondContact O-N 3.19Å; R21-V25 VanDerWaalsContact O-CG2 3.25Å; R21-V25 WeakPolarHBondContact O-CG2 3.25Å; R21-V25 PolarHBondContact O-N 3.08Å; R21-V25 VanDerWaalsContact O-N 3.11Å |
| 22 | N | 87.3 | Confident | 88.4 | Confident | 60 Ų | 60 | 100 Ų | 100 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 177.1 | -77.2 | -3.1 | 0 | 0 | 0 | 111.9 | Y18 Y19 F20 V24 V25 D26 | Y18-N22 WeakPolarHBondContact CE1-ND2 3.21Å; Y18-N22 PolarHBondContact O-N 2.69Å; Y18-N22 PolarHBondContact OH-ND2 3.39Å; Y18-N22 VanDerWaalsContact OH-ND2 3.14Å; Y19-N22 PolarHBondContact O-N 2.83Å; F20-N22 PolarHBondContact O-N 3.34Å; N22-V24 VanDerWaalsContact C-N 3.28Å; N22-V24 PolarHBondContact O-N 3.11Å; N22-V25 PolarHBondContact O-N 3.4Å; N22-V25 VanDerWaalsContact O-N 3.09Å; N22-D26 WeakPolarHBondContact O-CB 3.34Å; N22-D26 PolarHBondContact O-N 3.28Å |
| 23 | S | 87.3 | Confident | 89.1 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 113 | Y19 F20 P27 | Y19-S23 WeakPolarHBondContact O-CB 3.48Å; Y19-S23 PolarHBondContact O-N 3.3Å; Y19-S23 PolarHBondContact O-OG 3.39Å; F20-S23 WeakPolarHBondContact CA-OG 3.42Å; F20-S23 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-OG 3.43Å; S23-P27 WeakPolarHBondContact O-CD 3.5Å |
| 24 | V | 87.3 | Confident | 89.6 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.2 | -33 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | F20 R21 N22 P27 F28 | F20-V24 HydrophobicContact CD1-CG2 4.29Å; F20-V24 HydrophobicContact CE1-CG2 3.9Å; F20-V24 HydrophobicContact CE2-CG2 4.31Å; F20-V24 HydrophobicContact CZ-CG2 3.92Å; F20-V24 WeakPolarHBondContact O-CG2 3.24Å; F20-V24 PolarHBondContact O-N 3.16Å; R21-V24 PolarHBondContact O-N 3.19Å; N22-V24 VanDerWaalsContact C-N 3.28Å; N22-V24 PolarHBondContact O-N 3.11Å; V24-P27 WeakPolarHBondContact O-CD 3.46Å; V24-P27 VanDerWaalsContact O-CG 3.3Å; V24-P27 WeakPolarHBondContact O-CG 3.36Å; V24-F28 WeakPolarHBondContact O-CD2 3.34Å; V24-F28 WeakPolarHBondContact O-CE2 3.34Å |
| 25 | V | 88.2 | Confident | 90 | Very high | 85 Ų | 85 | 100.3 Ų | 100.3 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -82 | -34.1 | -178.8 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | R21 N22 P27 F28 R29 | R21-V25 VanDerWaalsContact O-CG2 3.25Å; R21-V25 WeakPolarHBondContact O-CG2 3.25Å; R21-V25 PolarHBondContact O-N 3.08Å; R21-V25 VanDerWaalsContact O-N 3.11Å; N22-V25 PolarHBondContact O-N 3.4Å; N22-V25 VanDerWaalsContact O-N 3.09Å; V25-P27 VanDerWaalsContact C-CD 3.49Å; V25-F28 WeakPolarHBondContact O-CA 3.24Å; V25-F28 WeakPolarHBondContact O-CB 3.48Å; V25-F28 PolarHBondContact O-N 3.43Å; V25-R29 PolarHBondContact O-N 3.27Å |
| 26 | D | 87.9 | Confident | 90.4 | Very high | 60 Ų | 60 | 100.9 Ų | 100.9 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -49.9 | -44.4 | 179.5 | -86.8 | -33.9 | 0 | 0 | 0 | 115.5 | N22 F28 R29 I30 | N22-D26 WeakPolarHBondContact O-CB 3.34Å; N22-D26 PolarHBondContact O-N 3.28Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 2.86Å; D26-R29 WeakPolarHBondContact O-CB 3.5Å; D26-R29 PolarHBondContact O-N 3.24Å; D26-R29 IonicContact OD1-CZ 3.35Å; D26-R29 IonicContact OD1-NE 3.2Å; D26-R29 PolarHBondContact OD1-NE 2.98Å; D26-R29 IonicContact OD1-NH2 2.74Å; D26-R29 PolarHBondContact OD1-NH2 3.19Å; D26-I30 WeakPolarHBondContact O-CG1 3.48Å; D26-I30 PolarHBondContact O-N 2.85Å; D26-I30 VanDerWaalsContact O-N 3.09Å |
| 27 | P | 87.9 | Confident | 90.9 | Very high | 58 Ų | 58 | 99.6 Ų | 99.6 | 38% | 0.377 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -29.4 | 176.3 | 25 | -35.2 | 0 | 0 | 0 | 113.3 | S23 V24 V25 K31 | S23-P27 WeakPolarHBondContact O-CD 3.5Å; V24-P27 WeakPolarHBondContact O-CD 3.46Å; V24-P27 VanDerWaalsContact O-CG 3.3Å; V24-P27 WeakPolarHBondContact O-CG 3.36Å; V25-P27 VanDerWaalsContact C-CD 3.49Å; P27-K31 VanDerWaalsContact O-CG 3.31Å; P27-K31 WeakPolarHBondContact O-CG 3.38Å; P27-K31 PolarHBondContact O-N 2.93Å |
| 28 | F | 90.9 | Very high | 91.4 | Very high | 118 Ų | 118 | 101.7 Ų | 101.7 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.3 | -40.5 | 174 | -64.6 | -77.6 | 0 | 0 | 0 | 111.1 | V24 V25 D26 I30 K31 E32 | V24-F28 WeakPolarHBondContact O-CD2 3.34Å; V24-F28 WeakPolarHBondContact O-CE2 3.34Å; V25-F28 WeakPolarHBondContact O-CA 3.24Å; V25-F28 WeakPolarHBondContact O-CB 3.48Å; V25-F28 PolarHBondContact O-N 3.43Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 2.86Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.5Å; F28-K31 PolarHBondContact O-N 3.48Å; F28-K31 VanDerWaalsContact O-N 3.16Å; F28-E32 WeakPolarHBondContact O-CB 3.5Å; F28-E32 WeakPolarHBondContact O-CG 3.5Å; F28-E32 PolarHBondContact O-N 2.94Å |
| 29 | R | 90.8 | Very high | 91.8 | Very high | 137 Ų | 137 | 100.7 Ų | 100.7 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 175.2 | -177.4 | 173.2 | 65.1 | 128.5 | -2.6 | 112.2 | V25 D26 N33 | V25-R29 PolarHBondContact O-N 3.27Å; D26-R29 WeakPolarHBondContact O-CB 3.5Å; D26-R29 PolarHBondContact O-N 3.24Å; D26-R29 IonicContact OD1-CZ 3.35Å; D26-R29 IonicContact OD1-NE 3.2Å; D26-R29 PolarHBondContact OD1-NE 2.98Å; D26-R29 IonicContact OD1-NH2 2.74Å; D26-R29 PolarHBondContact OD1-NH2 3.19Å; R29-N33 WeakPolarHBondContact O-CB 3.45Å; R29-N33 PolarHBondContact O-N 3.45Å; R29-N33 PolarHBondContact O-ND2 2.91Å |
| 30 | I | 90.8 | Very high | 92.2 | Very high | 97 Ų | 97 | 97.2 Ų | 97.2 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.5 | -64.7 | 167.7 | 0 | 0 | 0 | 110.5 | D26 F28 E32 N33 D34 | D26-I30 WeakPolarHBondContact O-CG1 3.48Å; D26-I30 PolarHBondContact O-N 2.85Å; D26-I30 VanDerWaalsContact O-N 3.09Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.5Å; I30-E32 PolarHBondContact O-N 2.88Å; I30-N33 PolarHBondContact O-N 3.17Å; I30-D34 PolarHBondContact O-N 3.25Å |
| 31 | K | 93.4 | Very high | 92.5 | Very high | 139 Ų | 139 | 93.8 Ų | 93.8 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.8 | -42.4 | 178.4 | -73.1 | 173.6 | -178 | 178.2 | 0 | 112.7 | P27 F28 D34 A35 | P27-K31 VanDerWaalsContact O-CG 3.31Å; P27-K31 WeakPolarHBondContact O-CG 3.38Å; P27-K31 PolarHBondContact O-N 2.93Å; F28-K31 PolarHBondContact O-N 3.48Å; F28-K31 VanDerWaalsContact O-N 3.16Å; K31-D34 PolarHBondContact O-N 3.41Å; K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 3.33Å |
| 32 | E | 94.6 | Very high | 93 | Very high | 133 Ų | 133 | 93.6 Ų | 93.6 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 176.9 | -73.7 | 176.4 | 175.1 | 0 | 0 | 111.5 | F28 I30 A35 A36 | F28-E32 WeakPolarHBondContact O-CB 3.5Å; F28-E32 WeakPolarHBondContact O-CG 3.5Å; F28-E32 PolarHBondContact O-N 2.94Å; I30-E32 PolarHBondContact O-N 2.88Å; E32-A35 PolarHBondContact O-N 3.19Å; E32-A36 WeakPolarHBondContact O-CB 3.28Å; E32-A36 PolarHBondContact O-N 3.31Å |
| 33 | N | 95.6 | Very high | 93.5 | Very high | 90 Ų | 90 | 96 Ų | 96 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 175.7 | -74.5 | -24.3 | 0 | 0 | 0 | 111.6 | R29 I30 A35 A36 V37 | R29-N33 WeakPolarHBondContact O-CB 3.45Å; R29-N33 PolarHBondContact O-N 3.45Å; R29-N33 PolarHBondContact O-ND2 2.91Å; I30-N33 PolarHBondContact O-N 3.17Å; N33-A35 PolarHBondContact O-N 3.34Å; N33-A36 PolarHBondContact O-N 3.33Å; N33-V37 WeakPolarHBondContact O-CB 3.27Å; N33-V37 VanDerWaalsContact O-CG2 3.27Å; N33-V37 WeakPolarHBondContact O-CG2 3.36Å; N33-V37 PolarHBondContact O-N 2.88Å |
| 34 | D | 95.9 | Very high | 94 | Very high | 90 Ų | 90 | 99.7 Ų | 99.7 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.8 | -74.3 | -16.7 | 0 | 0 | 0 | 112 | I30 K31 V37 K38 | I30-D34 PolarHBondContact O-N 3.25Å; K31-D34 PolarHBondContact O-N 3.41Å; D34-V37 PolarHBondContact O-N 2.93Å; D34-K38 VanDerWaalsContact O-CG 3.32Å; D34-K38 WeakPolarHBondContact O-CG 3.48Å; D34-K38 PolarHBondContact O-N 2.86Å |
| 35 | A | 96.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 97.4 Ų | 97.4 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K31 E32 N33 K38 I39 | K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 3.33Å; E32-A35 PolarHBondContact O-N 3.19Å; N33-A35 PolarHBondContact O-N 3.34Å; A35-K38 WeakPolarHBondContact O-CB 3.15Å; A35-K38 PolarHBondContact O-N 3.46Å; A35-I39 WeakPolarHBondContact O-CG1 3.47Å; A35-I39 PolarHBondContact O-N 3.2Å |
| 36 | A | 96.7 | Very high | 94.9 | Very high | 39 Ų | 39 | 95.2 Ų | 95.2 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | E32 N33 K38 I39 Q40 | E32-A36 WeakPolarHBondContact O-CB 3.28Å; E32-A36 PolarHBondContact O-N 3.31Å; N33-A36 PolarHBondContact O-N 3.33Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 3.13Å; A36-I39 PolarHBondContact O-N 3.32Å; A36-Q40 WeakPolarHBondContact O-CB 3.48Å; A36-Q40 VanDerWaalsContact O-CG 3.23Å; A36-Q40 WeakPolarHBondContact O-CG 3.28Å; A36-Q40 PolarHBondContact O-N 2.85Å |
| 37 | V | 97.1 | Very high | 95.4 | Very high | 87 Ų | 87 | 97.5 Ų | 97.5 | 53% | 0.527 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | N33 D34 S41 | N33-V37 WeakPolarHBondContact O-CB 3.27Å; N33-V37 VanDerWaalsContact O-CG2 3.27Å; N33-V37 WeakPolarHBondContact O-CG2 3.36Å; N33-V37 PolarHBondContact O-N 2.88Å; D34-V37 PolarHBondContact O-N 2.93Å; V37-S41 VanDerWaalsContact O-CB 3.27Å; V37-S41 WeakPolarHBondContact O-CB 3.42Å; V37-S41 PolarHBondContact O-N 3.4Å; V37-S41 PolarHBondContact O-OG 3.23Å |
| 38 | K | 97.4 | Very high | 95.8 | Very high | 149 Ų | 149 | 98.8 Ų | 98.8 | 65% | 0.648 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 174.2 | -76.1 | 174.3 | -177 | 175.7 | 0 | 112.4 | D34 A35 A36 S41 W42 | D34-K38 VanDerWaalsContact O-CG 3.32Å; D34-K38 WeakPolarHBondContact O-CG 3.48Å; D34-K38 PolarHBondContact O-N 2.86Å; A35-K38 WeakPolarHBondContact O-CB 3.15Å; A35-K38 PolarHBondContact O-N 3.46Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 3.13Å; K38-S41 PolarHBondContact O-OG 3.02Å; K38-S41 VanDerWaalsContact O-OG 3.12Å; K38-W42 VanDerWaalsContact O-CB 3.24Å; K38-W42 WeakPolarHBondContact O-CB 3.22Å; K38-W42 PolarHBondContact O-N 3.46Å |
| 39 | I | 96.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 178.7 | -67.9 | 166.7 | 0 | 0 | 0 | 110.3 | A35 A36 W42 F43 | A35-I39 WeakPolarHBondContact O-CG1 3.47Å; A35-I39 PolarHBondContact O-N 3.2Å; A36-I39 PolarHBondContact O-N 3.32Å; I39-W42 PolarHBondContact O-N 3.39Å; I39-F43 WeakPolarHBondContact O-CB 3.38Å; I39-F43 PolarHBondContact O-N 3.47Å |
| 40 | Q | 97.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 94.8 Ų | 94.8 | 43% | 0.425 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | -179.3 | -68.5 | 177.9 | 3.1 | 0 | 0 | 112.4 | A36 F43 R44 | A36-Q40 WeakPolarHBondContact O-CB 3.48Å; A36-Q40 VanDerWaalsContact O-CG 3.23Å; A36-Q40 WeakPolarHBondContact O-CG 3.28Å; A36-Q40 PolarHBondContact O-N 2.85Å; Q40-F43 PolarHBondContact O-N 3.15Å; Q40-R44 WeakPolarHBondContact O-CB 3.3Å; Q40-R44 VanDerWaalsContact O-CG 3.31Å; Q40-R44 WeakPolarHBondContact O-CG 3.43Å; Q40-R44 PolarHBondContact O-N 3.11Å |
| 41 | S | 96.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 97.1 Ų | 97.1 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 111.5 | V37 K38 G45 | V37-S41 VanDerWaalsContact O-CB 3.27Å; V37-S41 WeakPolarHBondContact O-CB 3.42Å; V37-S41 PolarHBondContact O-N 3.4Å; V37-S41 PolarHBondContact O-OG 3.23Å; K38-S41 PolarHBondContact O-OG 3.02Å; K38-S41 VanDerWaalsContact O-OG 3.12Å; S41-G45 PolarHBondContact O-N 2.98Å |
| 42 | W | 97.5 | Very high | 97.1 | Very high | 167 Ų | 167 | 94.4 Ų | 94.4 | 63% | 0.633 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 172.7 | 177.7 | 85.2 | 0 | 0 | 0 | 112 | K38 I39 G45 C46 | K38-W42 VanDerWaalsContact O-CB 3.24Å; K38-W42 WeakPolarHBondContact O-CB 3.22Å; K38-W42 PolarHBondContact O-N 3.46Å; I39-W42 PolarHBondContact O-N 3.39Å; W42-G45 CarbonylContact O-C 3.48Å; W42-G45 PolarHBondContact O-N 3.23Å; W42-C46 VanDerWaalsContact CE2-SG 3.51Å; W42-C46 VanDerWaalsContact CZ2-SG 3.59Å; W42-C46 PolarHBondContact O-N 3.47Å; W42-C46 PolarHBondContact O-SG 2.87Å |
| 43 | F | 97.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 96 Ų | 96 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 179.5 | 178.2 | -104.3 | 0 | 0 | 0 | 112.2 | I39 Q40 G45 C46 Q47 | I39-F43 WeakPolarHBondContact O-CB 3.38Å; I39-F43 PolarHBondContact O-N 3.47Å; Q40-F43 PolarHBondContact O-N 3.15Å; F43-G45 VanDerWaalsContact C-N 3.28Å; F43-G45 PolarHBondContact O-N 3.4Å; F43-C46 WeakPolarHBondContact O-CB 3.46Å; F43-C46 PolarHBondContact O-N 3.22Å; F43-Q47 HydrophobicContact CD1-CG 4.48Å; F43-Q47 VanDerWaalsContact CE1-CD 3.45Å; F43-Q47 HydrophobicContact CE1-CG 4.07Å; F43-Q47 HydrophobicContact CE2-CG 4.49Å; F43-Q47 HydrophobicContact CZ-CG 4.08Å; F43-Q47 VanDerWaalsContact CZ-NE2 3.27Å; F43-Q47 PolarHBondContact O-N 3.4Å |
| 44 | R | 97.6 | Very high | 97.4 | Very high | 143 Ų | 143 | 96.8 Ų | 96.8 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 174 | -71.3 | 176 | -174.5 | 114.8 | 4.1 | 111.1 | Q40 C46 Q47 V48 | Q40-R44 WeakPolarHBondContact O-CB 3.3Å; Q40-R44 VanDerWaalsContact O-CG 3.31Å; Q40-R44 WeakPolarHBondContact O-CG 3.43Å; Q40-R44 PolarHBondContact O-N 3.11Å; R44-C46 PolarHBondContact O-N 3.25Å; R44-Q47 PolarHBondContact O-N 3.48Å; R44-V48 WeakPolarHBondContact O-CG2 3.44Å; R44-V48 PolarHBondContact O-N 2.96Å |
| 45 | G | 97.5 | Very high | 97.5 | Very high | 18 Ų | 18 | 95.9 Ų | 95.9 | 19% | 0.186 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | S41 W42 F43 V48 R49 | S41-G45 PolarHBondContact O-N 2.98Å; W42-G45 CarbonylContact O-C 3.48Å; W42-G45 PolarHBondContact O-N 3.23Å; F43-G45 VanDerWaalsContact C-N 3.28Å; F43-G45 PolarHBondContact O-N 3.4Å; G45-V48 PolarHBondContact O-N 2.95Å; G45-R49 VanDerWaalsContact C-CZ 3.49Å; G45-R49 WeakPolarHBondContact O-CB 3.27Å; G45-R49 WeakPolarHBondContact O-CG 3.42Å; G45-R49 PolarHBondContact O-N 3.25Å |
| 46 | C | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 98.1 Ų | 98.1 | 26% | 0.264 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | W42 F43 R44 R49 A50 | W42-C46 VanDerWaalsContact CE2-SG 3.51Å; W42-C46 VanDerWaalsContact CZ2-SG 3.59Å; W42-C46 PolarHBondContact O-N 3.47Å; W42-C46 PolarHBondContact O-SG 2.87Å; F43-C46 WeakPolarHBondContact O-CB 3.46Å; F43-C46 PolarHBondContact O-N 3.22Å; R44-C46 PolarHBondContact O-N 3.25Å; C46-R49 PolarHBondContact SG-NH2 3.5Å; C46-A50 WeakPolarHBondContact O-CB 3.49Å; C46-A50 PolarHBondContact O-N 2.93Å |
| 47 | Q | 97.3 | Very high | 97.6 | Very high | 109 Ų | 109 | 104.7 Ų | 104.7 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 175.3 | -70.9 | -175.8 | -33.7 | 0 | 0 | 111.7 | F43 R44 R49 A50 Y51 | F43-Q47 HydrophobicContact CD1-CG 4.48Å; F43-Q47 VanDerWaalsContact CE1-CD 3.45Å; F43-Q47 HydrophobicContact CE1-CG 4.07Å; F43-Q47 HydrophobicContact CE2-CG 4.49Å; F43-Q47 HydrophobicContact CZ-CG 4.08Å; F43-Q47 VanDerWaalsContact CZ-NE2 3.27Å; F43-Q47 PolarHBondContact O-N 3.4Å; R44-Q47 PolarHBondContact O-N 3.48Å; Q47-R49 PolarHBondContact O-N 3.36Å; Q47-A50 WeakPolarHBondContact O-CB 3.34Å; Q47-A50 PolarHBondContact O-N 3.09Å; Q47-Y51 PolarHBondContact O-N 2.81Å |
| 48 | V | 98.1 | Very high | 97.7 | Very high | 84 Ų | 84 | 103.9 Ų | 103.9 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 179.3 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | R44 G45 A50 Y51 I52 | R44-V48 WeakPolarHBondContact O-CG2 3.44Å; R44-V48 PolarHBondContact O-N 2.96Å; G45-V48 PolarHBondContact O-N 2.95Å; V48-A50 VanDerWaalsContact C-N 3.32Å; V48-A50 PolarHBondContact O-N 2.87Å; V48-Y51 PolarHBondContact O-N 2.89Å; V48-I52 HydrophobicContact CG1-CD1 3.8Å; V48-I52 HydrophobicContact CG1-CG1 4.4Å; V48-I52 WeakPolarHBondContact O-CG1 3.32Å; V48-I52 PolarHBondContact O-N 2.64Å |
| 49 | R | 98.2 | Very high | 97.7 | Very high | 128 Ų | 128 | 100 Ų | 100 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 177.2 | -73.7 | -173.8 | -66 | -90.3 | 0.5 | 112.9 | G45 C46 Q47 R53 | G45-R49 VanDerWaalsContact C-CZ 3.49Å; G45-R49 WeakPolarHBondContact O-CB 3.27Å; G45-R49 WeakPolarHBondContact O-CG 3.42Å; G45-R49 PolarHBondContact O-N 3.25Å; C46-R49 PolarHBondContact SG-NH2 3.5Å; Q47-R49 PolarHBondContact O-N 3.36Å; R49-R53 WeakPolarHBondContact O-CB 3.33Å; R49-R53 WeakPolarHBondContact O-CG 3.43Å; R49-R53 PolarHBondContact O-N 3.49Å; R49-R53 VanDerWaalsContact O-N 3.12Å; R49-R53 PolarHBondContact O-NE 3.21Å; R49-R53 VanDerWaalsContact O-NE 3.16Å |
| 50 | A | 97.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 98.5 Ų | 98.5 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C46 Q47 V48 R53 H54 | C46-A50 WeakPolarHBondContact O-CB 3.49Å; C46-A50 PolarHBondContact O-N 2.93Å; Q47-A50 WeakPolarHBondContact O-CB 3.34Å; Q47-A50 PolarHBondContact O-N 3.09Å; V48-A50 VanDerWaalsContact C-N 3.32Å; V48-A50 PolarHBondContact O-N 2.87Å; A50-R53 PolarHBondContact O-N 3.32Å; A50-H54 PolarHBondContact O-N 3.26Å |
| 51 | Y | 97.8 | Very high | 97.8 | Very high | 146 Ų | 146 | 97.4 Ų | 97.4 | 57% | 0.573 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 177.2 | -176.8 | -114.9 | 0 | 0 | 0 | 112.4 | Q47 V48 R53 H54 L55 | Q47-Y51 PolarHBondContact O-N 2.81Å; V48-Y51 PolarHBondContact O-N 2.89Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 2.88Å; Y51-H54 WeakPolarHBondContact O-CB 3.44Å; Y51-H54 PolarHBondContact O-N 2.91Å; Y51-H54 VanDerWaalsContact O-N 3.1Å; Y51-L55 HydrophobicContact CD1-CD1 4.02Å; Y51-L55 HydrophobicContact CD1-CG 4.44Å; Y51-L55 HydrophobicContact CE1-CD1 3.5Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.5Å; Y51-L55 HydrophobicContact CE1-CG 4.07Å; Y51-L55 HydrophobicContact CE2-CD2 4.26Å; Y51-L55 HydrophobicContact CE2-CG 4.28Å; Y51-L55 PolarHBondContact O-N 2.9Å |
| 52 | I | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.8 | -67.6 | 168.9 | 0 | 0 | 0 | 111.2 | V48 H54 L55 N56 | V48-I52 HydrophobicContact CG1-CD1 3.8Å; V48-I52 HydrophobicContact CG1-CG1 4.4Å; V48-I52 WeakPolarHBondContact O-CG1 3.32Å; V48-I52 PolarHBondContact O-N 2.64Å; I52-H54 VanDerWaalsContact C-N 3.3Å; I52-H54 PolarHBondContact O-N 2.89Å; I52-L55 PolarHBondContact O-N 3.46Å; I52-N56 WeakPolarHBondContact O-CB 3.48Å; I52-N56 VanDerWaalsContact O-CG 3.32Å; I52-N56 PolarHBondContact O-N 2.94Å |
| 53 | R | 98.3 | Very high | 97.9 | Very high | 168 Ų | 168 | 95.4 Ų | 95.4 | 63% | 0.634 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 175.3 | -78.3 | -179.2 | -70 | 141.9 | -6.4 | 112 | R49 A50 Y51 R57 | R49-R53 WeakPolarHBondContact O-CB 3.33Å; R49-R53 WeakPolarHBondContact O-CG 3.43Å; R49-R53 PolarHBondContact O-N 3.49Å; R49-R53 VanDerWaalsContact O-N 3.12Å; R49-R53 PolarHBondContact O-NE 3.21Å; R49-R53 VanDerWaalsContact O-NE 3.16Å; A50-R53 PolarHBondContact O-N 3.32Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 2.88Å; R53-R57 WeakPolarHBondContact O-CB 3.37Å; R53-R57 PolarHBondContact O-N 2.74Å |
| 54 | H | 97.6 | Very high | 98 | Very high | 105 Ų | 105 | 97.2 Ų | 97.2 | 49% | 0.486 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 175 | 177.4 | 75.5 | 0 | 0 | 0 | 111.3 | A50 Y51 I52 N56 R57 I58 | A50-H54 PolarHBondContact O-N 3.26Å; Y51-H54 WeakPolarHBondContact O-CB 3.44Å; Y51-H54 PolarHBondContact O-N 2.91Å; Y51-H54 VanDerWaalsContact O-N 3.1Å; I52-H54 VanDerWaalsContact C-N 3.3Å; I52-H54 PolarHBondContact O-N 2.89Å; H54-N56 PolarHBondContact O-N 3.22Å; H54-R57 WeakPolarHBondContact O-CB 3.31Å; H54-R57 PolarHBondContact O-N 2.92Å; H54-R57 VanDerWaalsContact O-N 3.17Å; H54-I58 WeakPolarHBondContact O-CG1 3.38Å; H54-I58 PolarHBondContact O-N 2.89Å |
| 55 | L | 98.3 | Very high | 98 | Very high | 72 Ų | 72 | 98.9 Ų | 98.9 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 176.8 | -69.3 | -177.7 | 0 | 0 | 0 | 112.1 | Y51 I52 R57 I58 V59 | Y51-L55 HydrophobicContact CD1-CD1 4.02Å; Y51-L55 HydrophobicContact CD1-CG 4.44Å; Y51-L55 HydrophobicContact CE1-CD1 3.5Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.5Å; Y51-L55 HydrophobicContact CE1-CG 4.07Å; Y51-L55 HydrophobicContact CE2-CD2 4.26Å; Y51-L55 HydrophobicContact CE2-CG 4.28Å; Y51-L55 PolarHBondContact O-N 2.9Å; I52-L55 PolarHBondContact O-N 3.46Å; L55-R57 VanDerWaalsContact C-N 3.27Å; L55-R57 PolarHBondContact O-N 2.74Å; L55-I58 PolarHBondContact O-N 2.99Å; L55-I58 VanDerWaalsContact O-N 3.11Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 2.98Å |
| 56 | N | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 178.2 | -73.6 | -16.1 | 0 | 0 | 0 | 112.2 | I52 H54 V59 T60 | I52-N56 WeakPolarHBondContact O-CB 3.48Å; I52-N56 VanDerWaalsContact O-CG 3.32Å; I52-N56 PolarHBondContact O-N 2.94Å; H54-N56 PolarHBondContact O-N 3.22Å; N56-V59 PolarHBondContact O-N 2.83Å; N56-T60 WeakPolarHBondContact O-CB 3.5Å; N56-T60 PolarHBondContact O-N 2.95Å; N56-T60 PolarHBondContact O-OG1 3.33Å |
| 57 | R | 98.1 | Very high | 98 | Very high | 177 Ų | 177 | 111.1 Ų | 111.1 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 174.6 | 178.7 | -177.1 | 175.3 | 117.5 | -2.8 | 111 | R53 H54 L55 T60 I61 | R53-R57 WeakPolarHBondContact O-CB 3.37Å; R53-R57 PolarHBondContact O-N 2.74Å; H54-R57 WeakPolarHBondContact O-CB 3.31Å; H54-R57 PolarHBondContact O-N 2.92Å; H54-R57 VanDerWaalsContact O-N 3.17Å; L55-R57 VanDerWaalsContact C-N 3.27Å; L55-R57 PolarHBondContact O-N 2.74Å; R57-T60 PolarHBondContact O-N 3.26Å; R57-I61 HydrophobicContact CG-CD1 4.13Å; R57-I61 VanDerWaalsContact O-CG1 3.31Å; R57-I61 WeakPolarHBondContact O-CG1 3.34Å; R57-I61 PolarHBondContact O-N 3.28Å |
| 58 | I | 98.3 | Very high | 98 | Very high | 71 Ų | 71 | 107.9 Ų | 107.9 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 178.3 | -63.3 | -57.6 | 0 | 0 | 0 | 110.8 | H54 L55 T60 I61 I62 | H54-I58 WeakPolarHBondContact O-CG1 3.38Å; H54-I58 PolarHBondContact O-N 2.89Å; L55-I58 PolarHBondContact O-N 2.99Å; L55-I58 VanDerWaalsContact O-N 3.11Å; I58-T60 VanDerWaalsContact C-N 3.32Å; I58-T60 PolarHBondContact O-N 3.48Å; I58-I61 WeakPolarHBondContact O-CB 3.37Å; I58-I61 PolarHBondContact O-N 3.16Å; I58-I61 VanDerWaalsContact O-N 3.14Å; I58-I62 HydrophobicContact CG2-CD1 3.99Å; I58-I62 WeakPolarHBondContact O-CG1 3.42Å; I58-I62 PolarHBondContact O-N 3.2Å |
| 59 | V | 98.2 | Very high | 98 | Very high | 66 Ų | 66 | 109.1 Ų | 109.1 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L55 N56 I61 I62 Q63 | L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 2.98Å; N56-V59 PolarHBondContact O-N 2.83Å; V59-I61 VanDerWaalsContact C-N 3.3Å; V59-I61 PolarHBondContact O-N 3Å; V59-I62 PolarHBondContact O-N 3.39Å; V59-Q63 HydrophobicContact CG1-CG 4.19Å; V59-Q63 WeakPolarHBondContact O-CB 3.33Å; V59-Q63 VanDerWaalsContact O-CG 3.28Å; V59-Q63 WeakPolarHBondContact O-CG 3.22Å; V59-Q63 PolarHBondContact O-N 2.96Å |
| 60 | T | 98.3 | Very high | 98 | Very high | 85 Ų | 85 | 106.8 Ų | 106.8 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | N56 R57 I58 K64 | N56-T60 WeakPolarHBondContact O-CB 3.5Å; N56-T60 PolarHBondContact O-N 2.95Å; N56-T60 PolarHBondContact O-OG1 3.33Å; R57-T60 PolarHBondContact O-N 3.26Å; I58-T60 VanDerWaalsContact C-N 3.32Å; I58-T60 PolarHBondContact O-N 3.48Å; T60-K64 VanDerWaalsContact O-CB 3.23Å; T60-K64 WeakPolarHBondContact O-CB 3.41Å; T60-K64 PolarHBondContact O-N 2.83Å |
| 61 | I | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 106.8 Ų | 106.8 | 35% | 0.354 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 175.9 | -70.3 | 165.2 | 0 | 0 | 0 | 109.8 | R57 I58 V59 Q63 K64 W65 | R57-I61 HydrophobicContact CG-CD1 4.13Å; R57-I61 VanDerWaalsContact O-CG1 3.31Å; R57-I61 WeakPolarHBondContact O-CG1 3.34Å; R57-I61 PolarHBondContact O-N 3.28Å; I58-I61 WeakPolarHBondContact O-CB 3.37Å; I58-I61 PolarHBondContact O-N 3.16Å; I58-I61 VanDerWaalsContact O-N 3.14Å; V59-I61 VanDerWaalsContact C-N 3.3Å; V59-I61 PolarHBondContact O-N 3Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 2.85Å; I61-K64 WeakPolarHBondContact O-CB 3.36Å; I61-K64 PolarHBondContact O-N 3.44Å; I61-W65 PolarHBondContact O-N 2.79Å |
| 62 | I | 98 | Very high | 97.9 | Very high | 109 Ų | 109 | 107.5 Ų | 107.5 | 56% | 0.559 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.2 | -49.2 | 179.6 | -64.9 | 167.6 | 0 | 0 | 0 | 110.6 | I58 V59 K64 W65 W66 | I58-I62 HydrophobicContact CG2-CD1 3.99Å; I58-I62 WeakPolarHBondContact O-CG1 3.42Å; I58-I62 PolarHBondContact O-N 3.2Å; V59-I62 PolarHBondContact O-N 3.39Å; I62-K64 VanDerWaalsContact C-N 3.35Å; I62-K64 PolarHBondContact O-N 3.43Å; I62-W65 PolarHBondContact O-N 2.81Å; I62-W66 PolarHBondContact O-N 3.42Å |
| 63 | Q | 97.8 | Very high | 97.9 | Very high | 84 Ų | 84 | 109.2 Ų | 109.2 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.4 | -70 | 179.8 | -6.8 | 0 | 0 | 112.7 | V59 I61 W66 R67 | V59-Q63 HydrophobicContact CG1-CG 4.19Å; V59-Q63 WeakPolarHBondContact O-CB 3.33Å; V59-Q63 VanDerWaalsContact O-CG 3.28Å; V59-Q63 WeakPolarHBondContact O-CG 3.22Å; V59-Q63 PolarHBondContact O-N 2.96Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 2.85Å; Q63-W66 PolarHBondContact O-N 2.92Å; Q63-R67 WeakPolarHBondContact O-CG 3.31Å; Q63-R67 PolarHBondContact O-N 3.36Å |
| 64 | K | 97.8 | Very high | 97.8 | Very high | 151 Ų | 151 | 106.9 Ų | 106.9 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 175.5 | 175.8 | -175.5 | 173.5 | -177.5 | 0 | 110.9 | T60 I61 I62 R67 S68 | T60-K64 VanDerWaalsContact O-CB 3.23Å; T60-K64 WeakPolarHBondContact O-CB 3.41Å; T60-K64 PolarHBondContact O-N 2.83Å; I61-K64 WeakPolarHBondContact O-CB 3.36Å; I61-K64 PolarHBondContact O-N 3.44Å; I62-K64 VanDerWaalsContact C-N 3.35Å; I62-K64 PolarHBondContact O-N 3.43Å; K64-R67 PolarHBondContact O-N 2.97Å; K64-S68 WeakPolarHBondContact O-CB 3.44Å; K64-S68 PolarHBondContact O-N 3.48Å |
| 65 | W | 97.8 | Very high | 97.8 | Very high | 177 Ų | 177 | 109.5 Ų | 109.5 | 67% | 0.67 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 177.8 | -77.5 | 109.1 | 0 | 0 | 0 | 111.8 | I61 I62 S68 F69 | I61-W65 PolarHBondContact O-N 2.79Å; I62-W65 PolarHBondContact O-N 2.81Å; W65-S68 WeakPolarHBondContact O-CB 3.22Å; W65-S68 PolarHBondContact O-N 3.5Å; W65-F69 PolarHBondContact O-N 3.42Å |
| 66 | W | 97.6 | Very high | 97.8 | Very high | 153 Ų | 153 | 112.4 Ų | 112.4 | 58% | 0.58 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 177.7 | -176.1 | -115.1 | 0 | 0 | 0 | 112.9 | I62 Q63 S68 F69 L70 | I62-W66 PolarHBondContact O-N 3.42Å; Q63-W66 PolarHBondContact O-N 2.92Å; W66-S68 VanDerWaalsContact C-N 3.3Å; W66-S68 PolarHBondContact O-N 3.4Å; W66-F69 HydrophobicContact CE3-CD1 4Å; W66-F69 HydrophobicContact CH2-CD1 4.25Å; W66-F69 HydrophobicContact CH2-CE1 4.27Å; W66-F69 AromaticContact CZ3-CD1 3.7Å; W66-F69 HydrophobicContact CZ3-CD1 3.7Å; W66-F69 AromaticContact CZ3-CE1 3.97Å; W66-F69 HydrophobicContact CZ3-CE1 3.97Å; W66-F69 WeakPolarHBondContact O-CB 3.3Å; W66-F69 PolarHBondContact O-N 2.86Å; W66-L70 HydrophobicContact CZ2-CD1 4.43Å; W66-L70 HydrophobicContact CZ2-CD2 4.07Å; W66-L70 HydrophobicContact CZ2-CG 4.33Å; W66-L70 PolarHBondContact O-N 3.29Å |
| 67 | R | 98 | Very high | 97.7 | Very high | 162 Ų | 162 | 111.8 Ų | 111.8 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 175.9 | -71.2 | -177.6 | -177.6 | 106.4 | 1.5 | 111.9 | Q63 K64 G71 | Q63-R67 WeakPolarHBondContact O-CG 3.31Å; Q63-R67 PolarHBondContact O-N 3.36Å; K64-R67 PolarHBondContact O-N 2.97Å; R67-G71 PolarHBondContact O-N 2.97Å |
| 68 | S | 97.3 | Very high | 97.7 | Very high | 40 Ų | 40 | 107 Ų | 107 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 112 | K64 W65 W66 G71 R72 | K64-S68 WeakPolarHBondContact O-CB 3.44Å; K64-S68 PolarHBondContact O-N 3.48Å; W65-S68 WeakPolarHBondContact O-CB 3.22Å; W65-S68 PolarHBondContact O-N 3.5Å; W66-S68 VanDerWaalsContact C-N 3.3Å; W66-S68 PolarHBondContact O-N 3.4Å; S68-G71 PolarHBondContact O-N 3.24Å; S68-R72 VanDerWaalsContact O-CG 3.31Å; S68-R72 WeakPolarHBondContact O-CG 3.45Å; S68-R72 PolarHBondContact O-N 3.17Å; S68-R72 PolarHBondContact OG-NE 2.85Å; S68-R72 PolarHBondContact OG-NH2 3.41Å |
| 69 | F | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 106.9 Ų | 106.9 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 177 | 171.7 | -102.9 | 0 | 0 | 0 | 112 | W65 W66 G71 R72 K73 | W65-F69 PolarHBondContact O-N 3.42Å; W66-F69 HydrophobicContact CE3-CD1 4Å; W66-F69 HydrophobicContact CH2-CD1 4.25Å; W66-F69 HydrophobicContact CH2-CE1 4.27Å; W66-F69 AromaticContact CZ3-CD1 3.7Å; W66-F69 HydrophobicContact CZ3-CD1 3.7Å; W66-F69 AromaticContact CZ3-CE1 3.97Å; W66-F69 HydrophobicContact CZ3-CE1 3.97Å; W66-F69 WeakPolarHBondContact O-CB 3.3Å; W66-F69 PolarHBondContact O-N 2.86Å; F69-G71 VanDerWaalsContact C-N 3.32Å; F69-G71 PolarHBondContact O-N 2.94Å; F69-R72 PolarHBondContact O-N 3.19Å; F69-K73 PolarHBondContact O-N 3.26Å |
| 70 | L | 97.9 | Very high | 97.7 | Very high | 79 Ų | 79 | 108.3 Ų | 108.3 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 176.2 | -71.4 | 177.3 | 0 | 0 | 0 | 111.7 | W66 R72 K73 Q74 | W66-L70 HydrophobicContact CZ2-CD1 4.43Å; W66-L70 HydrophobicContact CZ2-CD2 4.07Å; W66-L70 HydrophobicContact CZ2-CG 4.33Å; W66-L70 PolarHBondContact O-N 3.29Å; L70-R72 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 3.3Å; L70-Q74 PolarHBondContact O-N 2.9Å |
| 71 | G | 97 | Very high | 97.7 | Very high | 43 Ų | 43 | 108.5 Ų | 108.5 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R67 S68 F69 Q74 Y75 | R67-G71 PolarHBondContact O-N 2.97Å; S68-G71 PolarHBondContact O-N 3.24Å; F69-G71 VanDerWaalsContact C-N 3.32Å; F69-G71 PolarHBondContact O-N 2.94Å; G71-Q74 PolarHBondContact O-N 3.42Å; G71-Y75 WeakPolarHBondContact O-CB 3.46Å; G71-Y75 PolarHBondContact O-N 3.36Å |
| 72 | R | 97.5 | Very high | 97.7 | Very high | 160 Ų | 160 | 107.9 Ų | 107.9 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 177 | -69.5 | 171.6 | -160.4 | -99.4 | 1.2 | 112.3 | S68 F69 L70 Y75 Q76 | S68-R72 VanDerWaalsContact O-CG 3.31Å; S68-R72 WeakPolarHBondContact O-CG 3.45Å; S68-R72 PolarHBondContact O-N 3.17Å; S68-R72 PolarHBondContact OG-NE 2.85Å; S68-R72 PolarHBondContact OG-NH2 3.41Å; F69-R72 PolarHBondContact O-N 3.19Å; L70-R72 PolarHBondContact O-N 2.95Å; R72-Y75 PolarHBondContact O-N 2.92Å; R72-Q76 WeakPolarHBondContact O-CG 3.5Å; R72-Q76 PolarHBondContact O-N 3.35Å |
| 73 | K | 97.3 | Very high | 97.7 | Very high | 119 Ų | 119 | 108.9 Ų | 108.9 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.9 | -174.1 | -179.7 | -179.9 | -178.6 | 0 | 111.2 | F69 L70 Y75 Q76 L77 | F69-K73 PolarHBondContact O-N 3.26Å; L70-K73 PolarHBondContact O-N 3.3Å; K73-Y75 VanDerWaalsContact C-N 3.35Å; K73-Y75 PolarHBondContact O-N 3.12Å; K73-Q76 PolarHBondContact O-N 3.42Å; K73-L77 PolarHBondContact O-N 2.88Å |
| 74 | Q | 97.3 | Very high | 97.7 | Very high | 118 Ų | 118 | 111.5 Ų | 111.5 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 177.5 | -174.5 | 58.7 | 30.6 | 0 | 0 | 112 | L70 G71 L77 T78 | L70-Q74 PolarHBondContact O-N 2.9Å; G71-Q74 PolarHBondContact O-N 3.42Å; Q74-L77 PolarHBondContact O-N 3.38Å; Q74-T78 WeakPolarHBondContact O-CB 3.48Å; Q74-T78 PolarHBondContact O-N 3.37Å; Q74-T78 PolarHBondContact O-OG1 2.91Å |
| 75 | Y | 97.2 | Very high | 97.7 | Very high | 160 Ų | 160 | 107.7 Ų | 107.7 | 63% | 0.627 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | 175.9 | 174.3 | -99.6 | 0 | 0 | 0 | 111.7 | G71 R72 K73 L77 T78 V79 | G71-Y75 WeakPolarHBondContact O-CB 3.46Å; G71-Y75 PolarHBondContact O-N 3.36Å; R72-Y75 PolarHBondContact O-N 2.92Å; K73-Y75 VanDerWaalsContact C-N 3.35Å; K73-Y75 PolarHBondContact O-N 3.12Å; Y75-L77 PolarHBondContact O-N 3.47Å; Y75-T78 PolarHBondContact O-N 3.12Å; Y75-T78 VanDerWaalsContact O-N 3.16Å; Y75-V79 HydrophobicContact CD1-CG2 4.21Å; Y75-V79 HydrophobicContact CD2-CG2 4.2Å; Y75-V79 HydrophobicContact CE1-CG2 3.75Å; Y75-V79 HydrophobicContact CE2-CG2 3.74Å; Y75-V79 HydrophobicContact CG-CG2 4.42Å; Y75-V79 VanDerWaalsContact CZ-CG2 3.49Å; Y75-V79 WeakPolarHBondContact O-CG2 3.4Å; Y75-V79 PolarHBondContact O-N 2.76Å |
| 76 | Q | 97.4 | Very high | 97.7 | Very high | 134 Ų | 134 | 105.5 Ų | 105.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.8 | -46.1 | 177.3 | -75.8 | 175.7 | -10.7 | 0 | 0 | 112.1 | R72 K73 T78 V79 Q80 | R72-Q76 WeakPolarHBondContact O-CG 3.5Å; R72-Q76 PolarHBondContact O-N 3.35Å; K73-Q76 PolarHBondContact O-N 3.42Å; Q76-T78 VanDerWaalsContact C-N 3.34Å; Q76-T78 PolarHBondContact O-N 3.01Å; Q76-V79 PolarHBondContact O-N 3.38Å; Q76-Q80 WeakPolarHBondContact O-CB 3.26Å; Q76-Q80 PolarHBondContact O-N 2.89Å |
| 77 | L | 97.8 | Very high | 97.8 | Very high | 80 Ų | 80 | 100.6 Ų | 100.6 | 42% | 0.419 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.5 | -71.9 | 171.3 | 0 | 0 | 0 | 111.8 | K73 Q74 Y75 V79 Q80 V81 | K73-L77 PolarHBondContact O-N 2.88Å; Q74-L77 PolarHBondContact O-N 3.38Å; Y75-L77 PolarHBondContact O-N 3.47Å; L77-V79 PolarHBondContact O-N 2.94Å; L77-Q80 PolarHBondContact O-N 2.96Å; L77-V81 WeakPolarHBondContact O-CG2 3.4Å; L77-V81 PolarHBondContact O-N 2.96Å |
| 78 | T | 97.8 | Very high | 97.8 | Very high | 75 Ų | 75 | 98.2 Ų | 98.2 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | -179.8 | -53 | 0 | 0 | 0 | 0 | 111.4 | Q74 Y75 Q76 V81 A82 | Q74-T78 WeakPolarHBondContact O-CB 3.48Å; Q74-T78 PolarHBondContact O-N 3.37Å; Q74-T78 PolarHBondContact O-OG1 2.91Å; Y75-T78 PolarHBondContact O-N 3.12Å; Y75-T78 VanDerWaalsContact O-N 3.16Å; Q76-T78 VanDerWaalsContact C-N 3.34Å; Q76-T78 PolarHBondContact O-N 3.01Å; T78-V81 PolarHBondContact O-N 3.03Å; T78-A82 WeakPolarHBondContact O-CB 3.49Å; T78-A82 PolarHBondContact O-N 3.41Å |
| 79 | V | 98.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 101 Ų | 101 | 42% | 0.418 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | Y75 Q76 L77 A82 Y83 | Y75-V79 HydrophobicContact CD1-CG2 4.21Å; Y75-V79 HydrophobicContact CD2-CG2 4.2Å; Y75-V79 HydrophobicContact CE1-CG2 3.75Å; Y75-V79 HydrophobicContact CE2-CG2 3.74Å; Y75-V79 HydrophobicContact CG-CG2 4.42Å; Y75-V79 VanDerWaalsContact CZ-CG2 3.49Å; Y75-V79 WeakPolarHBondContact O-CG2 3.4Å; Y75-V79 PolarHBondContact O-N 2.76Å; Q76-V79 PolarHBondContact O-N 3.38Å; L77-V79 PolarHBondContact O-N 2.94Å; V79-A82 PolarHBondContact O-N 2.93Å; V79-Y83 WeakPolarHBondContact O-CB 3.33Å; V79-Y83 PolarHBondContact O-N 2.94Å |
| 80 | Q | 97.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 99.4 Ų | 99.4 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 178.3 | -176.5 | 178.5 | 24.3 | 0 | 0 | 111.6 | Q76 L77 Y83 Y84 | Q76-Q80 WeakPolarHBondContact O-CB 3.26Å; Q76-Q80 PolarHBondContact O-N 2.89Å; L77-Q80 PolarHBondContact O-N 2.96Å; Q80-Y83 PolarHBondContact O-N 3.33Å; Q80-Y84 HydrophobicContact CG-CD2 3.81Å; Q80-Y84 HydrophobicContact CG-CE2 3.39Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.37Å; Q80-Y84 PolarHBondContact O-N 3.49Å |
| 81 | V | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 102.1 Ų | 102.1 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L77 T78 Y83 Y84 T85 | L77-V81 WeakPolarHBondContact O-CG2 3.4Å; L77-V81 PolarHBondContact O-N 2.96Å; T78-V81 PolarHBondContact O-N 3.03Å; V81-Y83 VanDerWaalsContact C-N 3.28Å; V81-Y83 PolarHBondContact O-N 3.17Å; V81-Y84 PolarHBondContact O-N 3.27Å; V81-T85 PolarHBondContact O-N 3.37Å; V81-T85 PolarHBondContact O-OG1 3.05Å |
| 82 | A | 98 | Very high | 97.9 | Very high | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | T78 V79 T85 M86 | T78-A82 WeakPolarHBondContact O-CB 3.49Å; T78-A82 PolarHBondContact O-N 3.41Å; V79-A82 PolarHBondContact O-N 2.93Å; A82-T85 PolarHBondContact O-N 3.5Å; A82-M86 WeakPolarHBondContact O-CB 3.33Å; A82-M86 PolarHBondContact O-N 3.34Å |
| 83 | Y | 98 | Very high | 97.9 | Very high | 129 Ų | 129 | 99.1 Ų | 99.1 | 51% | 0.506 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 175.1 | 173.1 | -98.6 | 0 | 0 | 0 | 111.9 | V79 Q80 V81 T85 M86 M87 | V79-Y83 WeakPolarHBondContact O-CB 3.33Å; V79-Y83 PolarHBondContact O-N 2.94Å; Q80-Y83 PolarHBondContact O-N 3.33Å; V81-Y83 VanDerWaalsContact C-N 3.28Å; V81-Y83 PolarHBondContact O-N 3.17Å; Y83-T85 VanDerWaalsContact C-N 3.35Å; Y83-T85 PolarHBondContact O-N 2.94Å; Y83-M86 PolarHBondContact O-N 2.96Å; Y83-M87 HydrophobicContact CD1-CG 4.47Å; Y83-M87 HydrophobicContact CD2-CG 4.45Å; Y83-M87 HydrophobicContact CE1-CG 4.02Å; Y83-M87 HydrophobicContact CE2-CG 4Å; Y83-M87 HydrophobicContact CE2-SD 4.43Å; Y83-M87 WeakPolarHBondContact O-CG 3.45Å; Y83-M87 PolarHBondContact O-N 3.16Å |
| 84 | Y | 98.1 | Very high | 98 | Very high | 139 Ų | 139 | 97.6 Ų | 97.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 178.7 | -72.5 | -56.7 | 0 | 0 | 0 | 112.5 | Q80 V81 M87 M88 | Q80-Y84 HydrophobicContact CG-CD2 3.81Å; Q80-Y84 HydrophobicContact CG-CE2 3.39Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.37Å; Q80-Y84 PolarHBondContact O-N 3.49Å; V81-Y84 PolarHBondContact O-N 3.27Å; Y84-M87 PolarHBondContact O-N 2.7Å; Y84-M88 VanDerWaalsContact O-CB 3.27Å; Y84-M88 WeakPolarHBondContact O-CB 3.49Å; Y84-M88 PolarHBondContact O-N 3.36Å |
| 85 | T | 98.2 | Very high | 98 | Very high | 71 Ų | 71 | 93.6 Ų | 93.6 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.3 | -57 | 0 | 0 | 0 | 0 | 111.2 | V81 A82 Y83 M88 N89 | V81-T85 PolarHBondContact O-N 3.37Å; V81-T85 PolarHBondContact O-OG1 3.05Å; A82-T85 PolarHBondContact O-N 3.5Å; Y83-T85 VanDerWaalsContact C-N 3.35Å; Y83-T85 PolarHBondContact O-N 2.94Å; T85-M88 PolarHBondContact O-N 3.37Å; T85-N89 WeakPolarHBondContact O-CB 3.37Å; T85-N89 PolarHBondContact O-N 2.99Å; T85-N89 PolarHBondContact O-ND2 3.36Å |
| 86 | M | 97.9 | Very high | 98.1 | Very high | 131 Ų | 131 | 90.2 Ų | 90.2 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 176.8 | 178.8 | -178.3 | 168.3 | 0 | 0 | 111.7 | A82 Y83 N89 L90 | A82-M86 WeakPolarHBondContact O-CB 3.33Å; A82-M86 PolarHBondContact O-N 3.34Å; Y83-M86 PolarHBondContact O-N 2.96Å; M86-N89 PolarHBondContact O-N 3.29Å; M86-L90 PolarHBondContact O-N 2.87Å |
| 87 | M | 98.2 | Very high | 98.1 | Very high | 50 Ų | 50 | 92.2 Ų | 92.2 | 25% | 0.246 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62 | -45 | 178.2 | -72.9 | -63.1 | -69.4 | 0 | 0 | 111.8 | Y83 Y84 N89 L90 Y91 | Y83-M87 HydrophobicContact CD1-CG 4.47Å; Y83-M87 HydrophobicContact CD2-CG 4.45Å; Y83-M87 HydrophobicContact CE1-CG 4.02Å; Y83-M87 HydrophobicContact CE2-CG 4Å; Y83-M87 HydrophobicContact CE2-SD 4.43Å; Y83-M87 WeakPolarHBondContact O-CG 3.45Å; Y83-M87 PolarHBondContact O-N 3.16Å; Y84-M87 PolarHBondContact O-N 2.7Å; M87-N89 VanDerWaalsContact C-N 3.34Å; M87-N89 PolarHBondContact O-N 3Å; M87-L90 WeakPolarHBondContact O-CB 3.48Å; M87-L90 PolarHBondContact O-N 3.49Å; M87-Y91 HydrophobicContact CB-CE2 4.41Å; M87-Y91 HydrophobicContact CE-CE2 3.86Å; M87-Y91 WeakPolarHBondContact CE-OH 3.42Å; M87-Y91 VanDerWaalsContact O-CD2 3.23Å; M87-Y91 WeakPolarHBondContact O-CD2 3.43Å; M87-Y91 PolarHBondContact O-N 2.93Å |
| 88 | M | 98 | Very high | 98.1 | Very high | 112 Ų | 112 | 94.2 Ų | 94.2 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 177.4 | -173.4 | 62.5 | 103.3 | 0 | 0 | 111.6 | Y84 T85 L90 Y91 N92 | Y84-M88 VanDerWaalsContact O-CB 3.27Å; Y84-M88 WeakPolarHBondContact O-CB 3.49Å; Y84-M88 PolarHBondContact O-N 3.36Å; T85-M88 PolarHBondContact O-N 3.37Å; M88-L90 VanDerWaalsContact C-N 3.33Å; M88-L90 PolarHBondContact O-N 3.39Å; M88-Y91 PolarHBondContact O-N 3.47Å; M88-N92 WeakPolarHBondContact O-CB 3.31Å; M88-N92 VanDerWaalsContact O-CG 3.26Å; M88-N92 PolarHBondContact O-N 2.89Å; M88-N92 PolarHBondContact O-ND2 2.9Å |
| 89 | N | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 95.1 Ų | 95.1 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.3 | -72.3 | -17.3 | 0 | 0 | 0 | 112.1 | T85 M86 M87 A93 | T85-N89 WeakPolarHBondContact O-CB 3.37Å; T85-N89 PolarHBondContact O-N 2.99Å; T85-N89 PolarHBondContact O-ND2 3.36Å; M86-N89 PolarHBondContact O-N 3.29Å; M87-N89 VanDerWaalsContact C-N 3.34Å; M87-N89 PolarHBondContact O-N 3Å; N89-A93 WeakPolarHBondContact O-CB 3.34Å; N89-A93 PolarHBondContact O-N 2.93Å |
| 90 | L | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 101.5 Ų | 101.5 | 41% | 0.414 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.4 | -177.1 | 147.5 | 0 | 0 | 0 | 111.2 | M86 M87 M88 N92 A93 M94 | M86-L90 PolarHBondContact O-N 2.87Å; M87-L90 WeakPolarHBondContact O-CB 3.48Å; M87-L90 PolarHBondContact O-N 3.49Å; M88-L90 VanDerWaalsContact C-N 3.33Å; M88-L90 PolarHBondContact O-N 3.39Å; L90-N92 PolarHBondContact O-N 2.93Å; L90-A93 PolarHBondContact O-N 2.79Å; L90-M94 HydrophobicContact CD2-CG 4.38Å; L90-M94 WeakPolarHBondContact O-CG 3.37Å; L90-M94 PolarHBondContact O-N 2.93Å |
| 91 | Y | 98.3 | Very high | 98 | Very high | 136 Ų | 136 | 106 Ų | 106 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 178.7 | -66.9 | -43.7 | 0 | 0 | 0 | 112.4 | M87 M88 A93 M94 A95 | M87-Y91 HydrophobicContact CB-CE2 4.41Å; M87-Y91 HydrophobicContact CE-CE2 3.86Å; M87-Y91 WeakPolarHBondContact CE-OH 3.42Å; M87-Y91 VanDerWaalsContact O-CD2 3.23Å; M87-Y91 WeakPolarHBondContact O-CD2 3.43Å; M87-Y91 PolarHBondContact O-N 2.93Å; M88-Y91 PolarHBondContact O-N 3.47Å; Y91-A93 VanDerWaalsContact C-N 3.34Å; Y91-A93 PolarHBondContact O-N 3.4Å; Y91-M94 PolarHBondContact O-N 3.22Å; Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 2.86Å |
| 92 | N | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 108.5 Ų | 108.5 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.9 | -75.6 | -25 | 0 | 0 | 0 | 111.6 | M88 L90 M94 A95 V96 | M88-N92 WeakPolarHBondContact O-CB 3.31Å; M88-N92 VanDerWaalsContact O-CG 3.26Å; M88-N92 PolarHBondContact O-N 2.89Å; M88-N92 PolarHBondContact O-ND2 2.9Å; L90-N92 PolarHBondContact O-N 2.93Å; N92-M94 VanDerWaalsContact C-N 3.35Å; N92-M94 PolarHBondContact O-N 2.65Å; N92-A95 PolarHBondContact O-N 3.14Å; N92-V96 WeakPolarHBondContact O-CG2 3.35Å; N92-V96 PolarHBondContact O-N 3.39Å |
| 93 | A | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 113.3 Ų | 113.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N89 L90 Y91 V96 R97 | N89-A93 WeakPolarHBondContact O-CB 3.34Å; N89-A93 PolarHBondContact O-N 2.93Å; L90-A93 PolarHBondContact O-N 2.79Å; Y91-A93 VanDerWaalsContact C-N 3.34Å; Y91-A93 PolarHBondContact O-N 3.4Å; A93-V96 PolarHBondContact O-N 2.94Å; A93-R97 WeakPolarHBondContact O-CG 3.43Å; A93-R97 PolarHBondContact O-N 3.42Å; A93-R97 VanDerWaalsContact O-N 3.14Å |
| 94 | M | 98 | Very high | 97.7 | Very high | 87 Ų | 87 | 108.2 Ų | 108.2 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 176.3 | -65 | -55.9 | 177.6 | 0 | 0 | 112 | L90 Y91 N92 V96 R97 I98 | L90-M94 HydrophobicContact CD2-CG 4.38Å; L90-M94 WeakPolarHBondContact O-CG 3.37Å; L90-M94 PolarHBondContact O-N 2.93Å; Y91-M94 PolarHBondContact O-N 3.22Å; N92-M94 VanDerWaalsContact C-N 3.35Å; N92-M94 PolarHBondContact O-N 2.65Å; M94-V96 VanDerWaalsContact C-N 3.34Å; M94-V96 PolarHBondContact O-N 3.34Å; M94-R97 WeakPolarHBondContact O-CB 3.35Å; M94-R97 PolarHBondContact O-N 3.27Å; M94-R97 VanDerWaalsContact O-N 3.13Å; M94-I98 WeakPolarHBondContact O-CG1 3.33Å; M94-I98 PolarHBondContact O-N 3.42Å |
| 95 | A | 98.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 105.9 Ų | 105.9 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y91 N92 R97 I98 Q99 | Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 2.86Å; N92-A95 PolarHBondContact O-N 3.14Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.48Å; A95-I98 PolarHBondContact O-N 3.36Å; A95-Q99 VanDerWaalsContact O-CB 3.31Å; A95-Q99 WeakPolarHBondContact O-CB 3.42Å; A95-Q99 WeakPolarHBondContact O-CG 3.2Å; A95-Q99 PolarHBondContact O-N 3.33Å |
| 96 | V | 98.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 108.1 Ų | 108.1 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | N92 A93 M94 Q99 R100 | N92-V96 WeakPolarHBondContact O-CG2 3.35Å; N92-V96 PolarHBondContact O-N 3.39Å; A93-V96 PolarHBondContact O-N 2.94Å; M94-V96 VanDerWaalsContact C-N 3.34Å; M94-V96 PolarHBondContact O-N 3.34Å; V96-Q99 PolarHBondContact O-N 2.9Å; V96-R100 VanDerWaalsContact O-CB 3.22Å; V96-R100 WeakPolarHBondContact O-CB 3.43Å; V96-R100 PolarHBondContact O-N 3.38Å |
| 97 | R | 98.2 | Very high | 97.1 | Very high | 177 Ų | 177 | 104.7 Ų | 104.7 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 176.8 | -68.4 | 175.6 | 84.5 | 173.4 | 7.2 | 111.7 | A93 M94 A95 R100 R101 | A93-R97 WeakPolarHBondContact O-CG 3.43Å; A93-R97 PolarHBondContact O-N 3.42Å; A93-R97 VanDerWaalsContact O-N 3.14Å; M94-R97 WeakPolarHBondContact O-CB 3.35Å; M94-R97 PolarHBondContact O-N 3.27Å; M94-R97 VanDerWaalsContact O-N 3.13Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.48Å; R97-R100 PolarHBondContact O-N 2.94Å; R97-R101 PolarHBondContact O-N 3Å |
| 98 | I | 98.3 | Very high | 96.6 | Very high | 122 Ų | 122 | 109.5 Ų | 109.5 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -50.2 | 176.8 | -65.7 | 167.7 | 0 | 0 | 0 | 109.8 | M94 A95 R100 R101 W102 | M94-I98 WeakPolarHBondContact O-CG1 3.33Å; M94-I98 PolarHBondContact O-N 3.42Å; A95-I98 PolarHBondContact O-N 3.36Å; I98-R100 PolarHBondContact O-N 3.43Å; I98-R101 PolarHBondContact O-N 3.19Å; I98-W102 WeakPolarHBondContact O-CB 3.41Å; I98-W102 PolarHBondContact O-N 2.79Å |
| 99 | Q | 97.7 | Very high | 96.2 | Very high | 94 Ų | 94 | 109.6 Ų | 109.6 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 179.4 | -72.5 | 174.5 | 0.8 | 0 | 0 | 112 | A95 V96 R101 W102 R103 | A95-Q99 VanDerWaalsContact O-CB 3.31Å; A95-Q99 WeakPolarHBondContact O-CB 3.42Å; A95-Q99 WeakPolarHBondContact O-CG 3.2Å; A95-Q99 PolarHBondContact O-N 3.33Å; V96-Q99 PolarHBondContact O-N 2.9Å; Q99-R101 PolarHBondContact O-N 2.97Å; Q99-W102 PolarHBondContact O-N 2.58Å; Q99-R103 WeakPolarHBondContact O-CB 3.49Å; Q99-R103 VanDerWaalsContact O-CG 3.24Å; Q99-R103 WeakPolarHBondContact O-CG 3.46Å; Q99-R103 PolarHBondContact O-N 3.26Å |
| 100 | R | 97.6 | Very high | 95.8 | Very high | 203 Ų | 203 | 111.8 Ų | 111.8 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -46.8 | 176.1 | 179 | -178.5 | 177.4 | -172.6 | -0.1 | 111 | V96 R97 I98 G104 | V96-R100 VanDerWaalsContact O-CB 3.22Å; V96-R100 WeakPolarHBondContact O-CB 3.43Å; V96-R100 PolarHBondContact O-N 3.38Å; R97-R100 PolarHBondContact O-N 2.94Å; I98-R100 PolarHBondContact O-N 3.43Å; R100-G104 PolarHBondContact O-N 3.44Å |
| 101 | R | 97 | Very high | 95.3 | Very high | 189 Ų | 189 | 113.8 Ų | 113.8 | 71% | 0.713 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 179 | -175.2 | 65.8 | -177.4 | -166.7 | 1.7 | 111 | R97 I98 Q99 G104 Y105 | R97-R101 PolarHBondContact O-N 3Å; I98-R101 PolarHBondContact O-N 3.19Å; Q99-R101 PolarHBondContact O-N 2.97Å; R101-G104 PolarHBondContact O-N 2.67Å; R101-Y105 PolarHBondContact O-N 3.06Å |
| 102 | W | 97.3 | Very high | 94.6 | Very high | 143 Ų | 143 | 112 Ų | 112 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 178 | 177.3 | -117.1 | 0 | 0 | 0 | 112.8 | I98 Q99 G104 Y105 R106 | I98-W102 WeakPolarHBondContact O-CB 3.41Å; I98-W102 PolarHBondContact O-N 2.79Å; Q99-W102 PolarHBondContact O-N 2.58Å; W102-G104 VanDerWaalsContact C-N 3.28Å; W102-G104 PolarHBondContact O-N 3.38Å; W102-Y105 HydrophobicContact CD2-CD1 4.49Å; W102-Y105 AromaticContact CE3-CD1 3.62Å; W102-Y105 HydrophobicContact CE3-CD1 3.62Å; W102-Y105 HydrophobicContact CE3-CE1 4.21Å; W102-Y105 HydrophobicContact CE3-CG 4.41Å; W102-Y105 AromaticContact CH2-CD1 3.93Å; W102-Y105 HydrophobicContact CH2-CD1 3.93Å; W102-Y105 AromaticContact CH2-CE1 3.8Å; W102-Y105 HydrophobicContact CH2-CE1 3.8Å; W102-Y105 AromaticContact CZ3-CD1 3.29Å; W102-Y105 HydrophobicContact CZ3-CD1 3.29Å; W102-Y105 AromaticContact CZ3-CE1 3.41Å; W102-Y105 HydrophobicContact CZ3-CE1 3.41Å; W102-Y105 VanDerWaalsContact CZ3-CE1 3.41Å; W102-Y105 HydrophobicContact CZ3-CG 4.36Å; W102-Y105 WeakPolarHBondContact O-CB 3.14Å; W102-Y105 PolarHBondContact O-N 2.88Å; W102-Y105 VanDerWaalsContact O-N 3.12Å; W102-R106 WeakPolarHBondContact O-CB 3.32Å; W102-R106 PolarHBondContact O-N 3.34Å |
| 103 | R | 95.6 | Very high | 94 | Very high | 158 Ų | 158 | 111.2 Ų | 111.2 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.6 | -44.6 | 176.5 | -73.1 | 175.4 | -174.9 | -170.4 | 3.3 | 111 | Q99 R106 V107 | Q99-R103 WeakPolarHBondContact O-CB 3.49Å; Q99-R103 VanDerWaalsContact O-CG 3.24Å; Q99-R103 WeakPolarHBondContact O-CG 3.46Å; Q99-R103 PolarHBondContact O-N 3.26Å; R103-R106 PolarHBondContact O-N 3.25Å; R103-V107 WeakPolarHBondContact O-CG2 3.49Å; R103-V107 PolarHBondContact O-N 2.88Å |
| 104 | G | 94 | Very high | 93.4 | Very high | 21 Ų | 21 | 115 Ų | 115 | 22% | 0.216 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R100 R101 W102 R108 | R100-G104 PolarHBondContact O-N 3.44Å; R101-G104 PolarHBondContact O-N 2.67Å; W102-G104 VanDerWaalsContact C-N 3.28Å; W102-G104 PolarHBondContact O-N 3.38Å; G104-R108 WeakPolarHBondContact O-CG 3.41Å; G104-R108 VanDerWaalsContact O-CZ 3.23Å; G104-R108 PolarHBondContact O-N 2.87Å; G104-R108 PolarHBondContact O-NH1 3.28Å |
| 105 | Y | 94.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 119.2 Ų | 119.2 | 35% | 0.353 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 173.5 | 167.6 | -95.9 | 0 | 0 | 0 | 111.8 | R101 W102 V107 R108 K109 Y110 | R101-Y105 PolarHBondContact O-N 3.06Å; W102-Y105 HydrophobicContact CD2-CD1 4.49Å; W102-Y105 AromaticContact CE3-CD1 3.62Å; W102-Y105 HydrophobicContact CE3-CD1 3.62Å; W102-Y105 HydrophobicContact CE3-CE1 4.21Å; W102-Y105 HydrophobicContact CE3-CG 4.41Å; W102-Y105 AromaticContact CH2-CD1 3.93Å; W102-Y105 HydrophobicContact CH2-CD1 3.93Å; W102-Y105 AromaticContact CH2-CE1 3.8Å; W102-Y105 HydrophobicContact CH2-CE1 3.8Å; W102-Y105 AromaticContact CZ3-CD1 3.29Å; W102-Y105 HydrophobicContact CZ3-CD1 3.29Å; W102-Y105 AromaticContact CZ3-CE1 3.41Å; W102-Y105 HydrophobicContact CZ3-CE1 3.41Å; W102-Y105 VanDerWaalsContact CZ3-CE1 3.41Å; W102-Y105 HydrophobicContact CZ3-CG 4.36Å; W102-Y105 WeakPolarHBondContact O-CB 3.14Å; W102-Y105 PolarHBondContact O-N 2.88Å; W102-Y105 VanDerWaalsContact O-N 3.12Å; Y105-V107 VanDerWaalsContact C-N 3.33Å; Y105-V107 PolarHBondContact O-N 3.16Å; Y105-R108 PolarHBondContact O-N 3.34Å; Y105-K109 HydrophobicContact CE1-CD 3.94Å; Y105-K109 HydrophobicContact CE2-CD 3.98Å; Y105-K109 VanDerWaalsContact CZ-CD 3.41Å; Y105-K109 WeakPolarHBondContact O-CB 3.44Å; Y105-K109 PolarHBondContact O-N 3.01Å; Y105-K109 WeakPolarHBondContact OH-CD 3.34Å; Y105-K109 PolarHBondContact OH-NZ 2.96Å; Y105-Y110 HydrophobicContact CE1-CE2 4.34Å |
| 106 | R | 94.9 | Very high | 92.5 | Very high | 118 Ų | 118 | 126.1 Ų | 126.1 | 45% | 0.445 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | -178.1 | -168.4 | -174.6 | 86.4 | -159.9 | 7.4 | 111.5 | W102 R103 K109 Y110 | W102-R106 WeakPolarHBondContact O-CB 3.32Å; W102-R106 PolarHBondContact O-N 3.34Å; R103-R106 PolarHBondContact O-N 3.25Å; R106-K109 PolarHBondContact O-N 3Å; R106-Y110 HydrophobicContact CG-CD2 4.01Å; R106-Y110 WeakPolarHBondContact O-CB 3.28Å; R106-Y110 PolarHBondContact O-N 3.22Å |
| 107 | V | 92.4 | Very high | 92.1 | Very high | 60 Ų | 60 | 125.3 Ų | 125.3 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | I | π-helix | trans | -62.1 | -49.7 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | R103 Y105 K109 L111 F112 | R103-V107 WeakPolarHBondContact O-CG2 3.49Å; R103-V107 PolarHBondContact O-N 2.88Å; Y105-V107 VanDerWaalsContact C-N 3.33Å; Y105-V107 PolarHBondContact O-N 3.16Å; V107-K109 VanDerWaalsContact C-N 3.28Å; V107-K109 PolarHBondContact O-N 2.84Å; V107-L111 PolarHBondContact O-N 3.3Å; V107-F112 HydrophobicContact CG1-CB 4.32Å; V107-F112 PolarHBondContact O-N 3.38Å |
| 108 | R | 88.8 | Confident | 92 | Very high | 150 Ų | 150 | 122.7 Ų | 122.7 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | I | π-helix | trans | -65.8 | -28.9 | -178.6 | -71.5 | -171.5 | -63.7 | -85.9 | -0.8 | 113.7 | G104 Y105 | G104-R108 WeakPolarHBondContact O-CG 3.41Å; G104-R108 VanDerWaalsContact O-CZ 3.23Å; G104-R108 PolarHBondContact O-N 2.87Å; G104-R108 PolarHBondContact O-NH1 3.28Å; Y105-R108 PolarHBondContact O-N 3.34Å |
| 109 | K | 88.3 | Confident | 91.8 | Very high | 115 Ų | 115 | 121 Ų | 121 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | I | π-helix | trans | -87.8 | -42.2 | -178.8 | -173.6 | 169.7 | 179.3 | -167.5 | 0 | 113 | Y105 R106 V107 | Y105-K109 HydrophobicContact CE1-CD 3.94Å; Y105-K109 HydrophobicContact CE2-CD 3.98Å; Y105-K109 VanDerWaalsContact CZ-CD 3.41Å; Y105-K109 WeakPolarHBondContact O-CB 3.44Å; Y105-K109 PolarHBondContact O-N 3.01Å; Y105-K109 WeakPolarHBondContact OH-CD 3.34Å; Y105-K109 PolarHBondContact OH-NZ 2.96Å; R106-K109 PolarHBondContact O-N 3Å; V107-K109 VanDerWaalsContact C-N 3.28Å; V107-K109 PolarHBondContact O-N 2.84Å |
| 110 | Y | 90.1 | Very high | 91.7 | Very high | 143 Ų | 143 | 123.7 Ų | 123.7 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | I | π-helix | trans | -116.7 | -23.9 | -165.4 | -60.6 | -71 | 0 | 0 | 0 | 115.2 | Y105 R106 | Y105-Y110 HydrophobicContact CE1-CE2 4.34Å; R106-Y110 HydrophobicContact CG-CD2 4.01Å; R106-Y110 WeakPolarHBondContact O-CB 3.28Å; R106-Y110 PolarHBondContact O-N 3.22Å |
| 111 | L | 87.4 | Confident | 91.7 | Very high | 122 Ų | 122 | 118.5 Ų | 118.5 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | I | π-helix | trans | -104.9 | -49.3 | -176.8 | -87.6 | 72.4 | 0 | 0 | 0 | 112.4 | V107 | V107-L111 PolarHBondContact O-N 3.3Å |
| 112 | F | 84.2 | Confident | 91.7 | Very high | 99 Ų | 99 | 114.6 Ų | 114.6 | 43% | 0.434 | 49% | 0.49 | S | S | . | . | trans | -136.5 | 119.7 | -167.3 | -178.1 | -103.5 | 0 | 0 | 0 | 111.8 | V107 L117 | V107-F112 HydrophobicContact CG1-CB 4.32Å; V107-F112 PolarHBondContact O-N 3.38Å; F112-L117 HydrophobicContact CE2-CB 4Å; F112-L117 HydrophobicContact CE2-CD2 3.7Å; F112-L117 HydrophobicContact CE2-CG 4.37Å; F112-L117 HydrophobicContact CZ-CB 4Å; F112-L117 HydrophobicContact CZ-CD2 3.54Å; F112-L117 HydrophobicContact CZ-CG 4.39Å | ||
| 113 | N | 86 | Confident | 91.7 | Very high | 67 Ų | 67 | 110.8 Ų | 110.8 | 36% | 0.358 | 48% | 0.482 | S | S | . | . | trans | -110.6 | 109.9 | 172.6 | -175.9 | -25.7 | 0 | 0 | 0 | 109.6 | Y115 Y116 L117 | N113-Y115 VanDerWaalsContact C-N 3.29Å; N113-Y115 PolarHBondContact O-N 2.91Å; N113-Y115 PolarHBondContact OD1-N 3.34Å; N113-Y116 HydrophobicContact CB-CD2 3.68Å; N113-Y116 HydrophobicContact CB-CE2 4.45Å; N113-Y116 WeakPolarHBondContact ND2-CD2 3.37Å; N113-Y116 WeakPolarHBondContact ND2-CE2 3.39Å; N113-Y116 PolarHBondContact O-N 2.88Å; N113-L117 PolarHBondContact O-N 3.38Å | ||
| 114 | Y | 84.8 | Confident | 91.8 | Very high | 134 Ų | 134 | 105.3 Ų | 105.3 | 53% | 0.525 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -37.7 | -178.4 | 170.8 | -104.5 | 0 | 0 | 0 | 113.4 | L117 K118 | Y114-L117 PolarHBondContact O-N 2.97Å; Y114-K118 HydrophobicContact CE1-CD 4.22Å; Y114-K118 WeakPolarHBondContact O-CB 3.47Å; Y114-K118 PolarHBondContact O-N 3.36Å |
| 115 | Y | 88.6 | Confident | 92 | Very high | 176 Ų | 176 | 106.8 Ų | 106.8 | 69% | 0.69 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.8 | -39.8 | -176 | -62.3 | -79.1 | 0 | 0 | 0 | 111.5 | N113 K118 E119 | N113-Y115 VanDerWaalsContact C-N 3.29Å; N113-Y115 PolarHBondContact O-N 2.91Å; N113-Y115 PolarHBondContact OD1-N 3.34Å; Y115-K118 PolarHBondContact O-N 3.06Å; Y115-E119 WeakPolarHBondContact O-CB 3.49Å; Y115-E119 PolarHBondContact O-N 2.91Å |
| 116 | Y | 89.3 | Confident | 92.2 | Very high | 179 Ų | 179 | 106.9 Ų | 106.9 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 173.8 | -72.9 | -59 | 0 | 0 | 0 | 112.2 | N113 E119 Y120 | N113-Y116 HydrophobicContact CB-CD2 3.68Å; N113-Y116 HydrophobicContact CB-CE2 4.45Å; N113-Y116 WeakPolarHBondContact ND2-CD2 3.37Å; N113-Y116 WeakPolarHBondContact ND2-CE2 3.39Å; N113-Y116 PolarHBondContact O-N 2.88Å; Y116-E119 PolarHBondContact O-N 3.01Å; Y116-Y120 WeakPolarHBondContact O-CB 3.38Å; Y116-Y120 PolarHBondContact O-N 3.35Å |
| 117 | L | 90.6 | Very high | 92.3 | Very high | 71 Ų | 71 | 104.5 Ų | 104.5 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.2 | -179.6 | 67.6 | 0 | 0 | 0 | 111.2 | F112 N113 Y114 E119 Y120 L121 | F112-L117 HydrophobicContact CE2-CB 4Å; F112-L117 HydrophobicContact CE2-CD2 3.7Å; F112-L117 HydrophobicContact CE2-CG 4.37Å; F112-L117 HydrophobicContact CZ-CB 4Å; F112-L117 HydrophobicContact CZ-CD2 3.54Å; F112-L117 HydrophobicContact CZ-CG 4.39Å; N113-L117 PolarHBondContact O-N 3.38Å; Y114-L117 PolarHBondContact O-N 2.97Å; L117-E119 VanDerWaalsContact C-N 3.31Å; L117-E119 PolarHBondContact O-N 3.07Å; L117-Y120 HydrophobicContact CD1-CD1 4.41Å; L117-Y120 PolarHBondContact O-N 2.96Å; L117-L121 HydrophobicContact CD1-CD1 4.39Å; L117-L121 HydrophobicContact CD1-CG 4.3Å; L117-L121 HydrophobicContact CD2-CD1 4.45Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 HydrophobicContact CG-CG 4.36Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 3.49Å |
| 118 | K | 94.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 179.8 | -175.3 | -178.1 | 178.5 | -172.6 | 0 | 111.1 | Y114 Y115 L121 R122 | Y114-K118 HydrophobicContact CE1-CD 4.22Å; Y114-K118 WeakPolarHBondContact O-CB 3.47Å; Y114-K118 PolarHBondContact O-N 3.36Å; Y115-K118 PolarHBondContact O-N 3.06Å; K118-L121 PolarHBondContact O-N 2.87Å; K118-R122 PolarHBondContact O-N 3.36Å |
| 119 | E | 95.3 | Very high | 93 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 178.8 | -170.4 | 55.7 | -151.2 | 0 | 0 | 111.8 | Y115 Y116 L117 L121 R122 V123 | Y115-E119 WeakPolarHBondContact O-CB 3.49Å; Y115-E119 PolarHBondContact O-N 2.91Å; Y116-E119 PolarHBondContact O-N 3.01Å; L117-E119 VanDerWaalsContact C-N 3.31Å; L117-E119 PolarHBondContact O-N 3.07Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 2.93Å; E119-R122 WeakPolarHBondContact O-CB 3.4Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 3.32Å; E119-R122 IonicContact OE1-NE 2.7Å; E119-R122 PolarHBondContact OE1-NE 3.31Å; E119-R122 IonicContact OE1-NH2 2.67Å; E119-R122 PolarHBondContact OE1-NH2 3.44Å; E119-R122 IonicContact OE2-NE 3.55Å; E119-R122 PolarHBondContact OE2-NE 3.22Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 2.82Å |
| 120 | Y | 95.2 | Very high | 93.4 | Very high | 149 Ų | 149 | 98.5 Ų | 98.5 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.4 | -47.6 | 173.1 | 172 | -100.6 | 0 | 0 | 0 | 111.7 | Y116 L117 R122 V123 V124 | Y116-Y120 WeakPolarHBondContact O-CB 3.38Å; Y116-Y120 PolarHBondContact O-N 3.35Å; L117-Y120 HydrophobicContact CD1-CD1 4.41Å; L117-Y120 PolarHBondContact O-N 2.96Å; Y120-R122 VanDerWaalsContact C-N 3.32Å; Y120-R122 PolarHBondContact O-N 2.93Å; Y120-V123 PolarHBondContact O-N 3.21Å; Y120-V124 HydrophobicContact CD1-CG2 4.26Å; Y120-V124 HydrophobicContact CD2-CG2 4.33Å; Y120-V124 HydrophobicContact CE1-CG2 3.82Å; Y120-V124 HydrophobicContact CE2-CG2 3.88Å; Y120-V124 VanDerWaalsContact O-CG2 3.31Å; Y120-V124 WeakPolarHBondContact O-CG2 3.28Å; Y120-V124 PolarHBondContact O-N 2.82Å |
| 121 | L | 97.1 | Very high | 93.7 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 178.1 | -71.1 | 175.4 | 0 | 0 | 0 | 112.5 | L117 K118 E119 V124 S125 | L117-L121 HydrophobicContact CD1-CD1 4.39Å; L117-L121 HydrophobicContact CD1-CG 4.3Å; L117-L121 HydrophobicContact CD2-CD1 4.45Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 HydrophobicContact CG-CG 4.36Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 3.49Å; K118-L121 PolarHBondContact O-N 2.87Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 2.93Å; L121-V124 PolarHBondContact O-N 3.02Å; L121-S125 PolarHBondContact O-N 3.34Å; L121-S125 PolarHBondContact O-OG 3.24Å |
| 122 | R | 97.4 | Very high | 94.2 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 40% | 0.4 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -50.7 | 173.7 | -172.5 | -168.6 | 70.8 | 85 | 6.9 | 110.6 | K118 E119 Y120 V124 S125 E126 | K118-R122 PolarHBondContact O-N 3.36Å; E119-R122 WeakPolarHBondContact O-CB 3.4Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 3.32Å; E119-R122 IonicContact OE1-NE 2.7Å; E119-R122 PolarHBondContact OE1-NE 3.31Å; E119-R122 IonicContact OE1-NH2 2.67Å; E119-R122 PolarHBondContact OE1-NH2 3.44Å; E119-R122 IonicContact OE2-NE 3.55Å; E119-R122 PolarHBondContact OE2-NE 3.22Å; Y120-R122 VanDerWaalsContact C-N 3.32Å; Y120-R122 PolarHBondContact O-N 2.93Å; R122-V124 VanDerWaalsContact C-N 3.31Å; R122-V124 PolarHBondContact O-N 3.12Å; R122-S125 WeakPolarHBondContact CA-OG 3.44Å; R122-S125 PolarHBondContact O-N 3.34Å; R122-S125 VanDerWaalsContact O-N 3.14Å; R122-S125 PolarHBondContact O-OG 3.42Å; R122-E126 IonicContact CZ-OE1 3.38Å; R122-E126 IonicContact CZ-OE2 3.54Å; R122-E126 IonicContact NH1-OE1 2.88Å; R122-E126 PolarHBondContact NH1-OE1 2.94Å; R122-E126 IonicContact NH1-OE2 2.58Å; R122-E126 PolarHBondContact NH1-OE2 3.06Å; R122-E126 IonicContact NH2-OE2 3.18Å; R122-E126 WeakPolarHBondContact O-CG 3.24Å; R122-E126 PolarHBondContact O-N 3.05Å |
| 123 | V | 97.6 | Very high | 94.8 | Very high | 63 Ų | 63 | 99.3 Ų | 99.3 | 38% | 0.382 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | E119 Y120 S125 E126 T127 | E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 2.82Å; Y120-V123 PolarHBondContact O-N 3.21Å; V123-S125 PolarHBondContact O-N 3.26Å; V123-E126 PolarHBondContact O-N 2.97Å; V123-T127 HydrophobicContact CG1-CG2 4.4Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 WeakPolarHBondContact O-CG2 3.48Å; V123-T127 PolarHBondContact O-N 3.1Å; V123-T127 PolarHBondContact O-OG1 3.25Å |
| 124 | V | 97.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 98.7 Ų | 98.7 | 27% | 0.267 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | Y120 L121 R122 T127 N128 | Y120-V124 HydrophobicContact CD1-CG2 4.26Å; Y120-V124 HydrophobicContact CD2-CG2 4.33Å; Y120-V124 HydrophobicContact CE1-CG2 3.82Å; Y120-V124 HydrophobicContact CE2-CG2 3.88Å; Y120-V124 VanDerWaalsContact O-CG2 3.31Å; Y120-V124 WeakPolarHBondContact O-CG2 3.28Å; Y120-V124 PolarHBondContact O-N 2.82Å; L121-V124 PolarHBondContact O-N 3.02Å; R122-V124 VanDerWaalsContact C-N 3.31Å; R122-V124 PolarHBondContact O-N 3.12Å; V124-T127 WeakPolarHBondContact CA-OG1 3.43Å; V124-T127 PolarHBondContact O-OG1 3.12Å; V124-N128 WeakPolarHBondContact O-CB 3.42Å; V124-N128 PolarHBondContact O-N 3.46Å; V124-N128 PolarHBondContact O-ND2 3.41Å; V124-N128 VanDerWaalsContact O-ND2 3.16Å |
| 125 | S | 97.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 97.5 Ų | 97.5 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.2 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | L121 R122 V123 T127 N128 D129 | L121-S125 PolarHBondContact O-N 3.34Å; L121-S125 PolarHBondContact O-OG 3.24Å; R122-S125 WeakPolarHBondContact CA-OG 3.44Å; R122-S125 PolarHBondContact O-N 3.34Å; R122-S125 VanDerWaalsContact O-N 3.14Å; R122-S125 PolarHBondContact O-OG 3.42Å; V123-S125 PolarHBondContact O-N 3.26Å; S125-T127 PolarHBondContact O-N 2.95Å; S125-N128 PolarHBondContact O-N 2.9Å; S125-D129 WeakPolarHBondContact O-CB 3.47Å; S125-D129 VanDerWaalsContact O-CG 3.3Å; S125-D129 PolarHBondContact O-N 3.46Å |
| 126 | E | 97.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | -179.5 | -73.7 | 172 | -176.5 | 0 | 0 | 112.1 | R122 V123 D129 A130 | R122-E126 IonicContact CZ-OE1 3.38Å; R122-E126 IonicContact CZ-OE2 3.54Å; R122-E126 IonicContact NH1-OE1 2.88Å; R122-E126 PolarHBondContact NH1-OE1 2.94Å; R122-E126 IonicContact NH1-OE2 2.58Å; R122-E126 PolarHBondContact NH1-OE2 3.06Å; R122-E126 IonicContact NH2-OE2 3.18Å; R122-E126 WeakPolarHBondContact O-CG 3.24Å; R122-E126 PolarHBondContact O-N 3.05Å; V123-E126 PolarHBondContact O-N 2.97Å; E126-D129 PolarHBondContact O-N 3.49Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.81Å |
| 127 | T | 97.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 92.4 Ų | 92.4 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 174.8 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | V123 V124 S125 D129 A130 I131 | V123-T127 HydrophobicContact CG1-CG2 4.4Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 WeakPolarHBondContact O-CG2 3.48Å; V123-T127 PolarHBondContact O-N 3.1Å; V123-T127 PolarHBondContact O-OG1 3.25Å; V124-T127 WeakPolarHBondContact CA-OG1 3.43Å; V124-T127 PolarHBondContact O-OG1 3.12Å; S125-T127 PolarHBondContact O-N 2.95Å; T127-D129 VanDerWaalsContact C-N 3.35Å; T127-D129 PolarHBondContact O-N 3.47Å; T127-A130 PolarHBondContact O-N 3.25Å; T127-I131 VanDerWaalsContact O-CG1 3.26Å; T127-I131 WeakPolarHBondContact O-CG1 3.36Å; T127-I131 PolarHBondContact O-N 3.27Å |
| 128 | N | 97.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 95.8 Ų | 95.8 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.5 | -75.7 | -25.2 | 0 | 0 | 0 | 112.1 | V124 S125 I131 R132 | V124-N128 WeakPolarHBondContact O-CB 3.42Å; V124-N128 PolarHBondContact O-N 3.46Å; V124-N128 PolarHBondContact O-ND2 3.41Å; V124-N128 VanDerWaalsContact O-ND2 3.16Å; S125-N128 PolarHBondContact O-N 2.9Å; N128-I131 PolarHBondContact O-N 2.82Å; N128-R132 WeakPolarHBondContact O-CG 3.34Å; N128-R132 PolarHBondContact O-N 2.91Å |
| 129 | D | 97.4 | Very high | 96.9 | Very high | 69 Ų | 69 | 92.2 Ų | 92.2 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 178.5 | -71.3 | -14.9 | 0 | 0 | 0 | 111.6 | S125 E126 T127 R132 K133 | S125-D129 WeakPolarHBondContact O-CB 3.47Å; S125-D129 VanDerWaalsContact O-CG 3.3Å; S125-D129 PolarHBondContact O-N 3.46Å; E126-D129 PolarHBondContact O-N 3.49Å; T127-D129 VanDerWaalsContact C-N 3.35Å; T127-D129 PolarHBondContact O-N 3.47Å; D129-R132 PolarHBondContact O-N 3.48Å; D129-R132 IonicContact OD1-CZ 2.79Å; D129-R132 IonicContact OD1-NH1 3.19Å; D129-R132 PolarHBondContact OD1-NH1 3.42Å; D129-R132 IonicContact OD1-NH2 3.98Å; D129-K133 WeakPolarHBondContact O-CG 3.11Å; D129-K133 PolarHBondContact O-N 3.47Å |
| 130 | A | 97.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 92.9 Ų | 92.9 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E126 T127 R132 K133 A134 | E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.81Å; T127-A130 PolarHBondContact O-N 3.25Å; A130-R132 PolarHBondContact O-N 3.22Å; A130-K133 PolarHBondContact O-N 3.42Å; A130-A134 PolarHBondContact O-N 3.4Å |
| 131 | I | 97.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 89.9 Ų | 89.9 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.2 | -68.9 | 165.2 | 0 | 0 | 0 | 110.6 | T127 N128 K133 A134 L135 | T127-I131 VanDerWaalsContact O-CG1 3.26Å; T127-I131 WeakPolarHBondContact O-CG1 3.36Å; T127-I131 PolarHBondContact O-N 3.27Å; N128-I131 PolarHBondContact O-N 2.82Å; I131-K133 PolarHBondContact O-N 3.25Å; I131-A134 PolarHBondContact O-N 3.37Å; I131-L135 HydrophobicContact CG2-CD1 3.95Å; I131-L135 HydrophobicContact CG2-CG 4.34Å; I131-L135 WeakPolarHBondContact O-CB 3.19Å; I131-L135 VanDerWaalsContact O-CG 3.3Å; I131-L135 WeakPolarHBondContact O-CG 3.31Å; I131-L135 PolarHBondContact O-N 3.34Å |
| 132 | R | 97.4 | Very high | 96.7 | Very high | 149 Ų | 149 | 90.5 Ų | 90.5 | 56% | 0.562 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.4 | -45.5 | 177.1 | -74.1 | -173.9 | -140.2 | 130.6 | 10.3 | 111.9 | N128 D129 A130 L135 E136 | N128-R132 WeakPolarHBondContact O-CG 3.34Å; N128-R132 PolarHBondContact O-N 2.91Å; D129-R132 PolarHBondContact O-N 3.48Å; D129-R132 IonicContact OD1-CZ 2.79Å; D129-R132 IonicContact OD1-NH1 3.19Å; D129-R132 PolarHBondContact OD1-NH1 3.42Å; D129-R132 IonicContact OD1-NH2 3.98Å; A130-R132 PolarHBondContact O-N 3.22Å; R132-L135 PolarHBondContact O-N 3.06Å; R132-E136 PolarHBondContact O-N 3.31Å |
| 133 | K | 97.3 | Very high | 96.6 | Very high | 133 Ų | 133 | 90.3 Ų | 90.3 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 176.2 | -71.3 | 177.5 | -177.7 | -178.8 | 0 | 112 | D129 A130 I131 L135 E136 E137 | D129-K133 WeakPolarHBondContact O-CG 3.11Å; D129-K133 PolarHBondContact O-N 3.47Å; A130-K133 PolarHBondContact O-N 3.42Å; I131-K133 PolarHBondContact O-N 3.25Å; K133-L135 VanDerWaalsContact C-N 3.3Å; K133-L135 PolarHBondContact O-N 3.31Å; K133-E136 WeakPolarHBondContact O-CB 3.47Å; K133-E136 PolarHBondContact O-N 3.44Å; K133-E137 WeakPolarHBondContact O-CG 3.22Å; K133-E137 PolarHBondContact O-N 2.86Å |
| 134 | A | 96.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 92.6 Ų | 92.6 | 45% | 0.446 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A130 I131 F138 | A130-A134 PolarHBondContact O-N 3.4Å; I131-A134 PolarHBondContact O-N 3.37Å; A134-F138 VanDerWaalsContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CB 3.38Å; A134-F138 PolarHBondContact O-N 3.31Å |
| 135 | L | 97.1 | Very high | 96.2 | Very high | 109 Ų | 109 | 96.3 Ų | 96.3 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68 | -37.7 | 175 | -72.5 | 172.4 | 0 | 0 | 0 | 112.3 | I131 R132 K133 F138 A139 | I131-L135 HydrophobicContact CG2-CD1 3.95Å; I131-L135 HydrophobicContact CG2-CG 4.34Å; I131-L135 WeakPolarHBondContact O-CB 3.19Å; I131-L135 VanDerWaalsContact O-CG 3.3Å; I131-L135 WeakPolarHBondContact O-CG 3.31Å; I131-L135 PolarHBondContact O-N 3.34Å; R132-L135 PolarHBondContact O-N 3.06Å; K133-L135 VanDerWaalsContact C-N 3.3Å; K133-L135 PolarHBondContact O-N 3.31Å; L135-F138 PolarHBondContact O-N 2.81Å; L135-A139 WeakPolarHBondContact O-CB 3.27Å; L135-A139 PolarHBondContact O-N 3.25Å |
| 136 | E | 96.5 | Very high | 96 | Very high | 126 Ų | 126 | 98.4 Ų | 98.4 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.8 | -48 | 175.4 | -171.5 | 168 | -158.6 | 0 | 0 | 111.1 | R132 K133 F138 A139 E140 | R132-E136 PolarHBondContact O-N 3.31Å; K133-E136 WeakPolarHBondContact O-CB 3.47Å; K133-E136 PolarHBondContact O-N 3.44Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.45Å; E136-A139 WeakPolarHBondContact O-CB 3.33Å; E136-A139 PolarHBondContact O-N 3Å; E136-A139 VanDerWaalsContact O-N 3.12Å; E136-E140 WeakPolarHBondContact O-CG 3.4Å; E136-E140 PolarHBondContact O-N 3.46Å |
| 137 | E | 95.8 | Very high | 95.9 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.5 | -43 | 173.7 | -71.7 | 173.4 | -170.6 | 0 | 0 | 111.8 | K133 E140 M141 | K133-E137 WeakPolarHBondContact O-CG 3.22Å; K133-E137 PolarHBondContact O-N 2.86Å; E137-E140 PolarHBondContact O-N 3.28Å; E137-M141 WeakPolarHBondContact O-CB 3.28Å; E137-M141 VanDerWaalsContact O-CG 3.22Å; E137-M141 WeakPolarHBondContact O-CG 3.38Å; E137-M141 PolarHBondContact O-N 3.49Å |
| 138 | F | 96.1 | Very high | 95.7 | Very high | 142 Ų | 142 | 103.8 Ų | 103.8 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 176.6 | -174.7 | -97.5 | 0 | 0 | 0 | 112.1 | A134 L135 E136 M141 K142 | A134-F138 VanDerWaalsContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CB 3.38Å; A134-F138 PolarHBondContact O-N 3.31Å; L135-F138 PolarHBondContact O-N 2.81Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.45Å; F138-M141 PolarHBondContact O-N 3Å; F138-K142 WeakPolarHBondContact O-CB 3.33Å; F138-K142 PolarHBondContact O-N 3.44Å |
| 139 | A | 95.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L135 E136 K142 E143 | L135-A139 WeakPolarHBondContact O-CB 3.27Å; L135-A139 PolarHBondContact O-N 3.25Å; E136-A139 WeakPolarHBondContact O-CB 3.33Å; E136-A139 PolarHBondContact O-N 3Å; E136-A139 VanDerWaalsContact O-N 3.12Å; A139-K142 PolarHBondContact O-N 3.44Å; A139-E143 PolarHBondContact O-N 3.15Å |
| 140 | E | 95.8 | Very high | 95.3 | Very high | 102 Ų | 102 | 102.3 Ų | 102.3 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.2 | -70.8 | -174.7 | 176.3 | 0 | 0 | 112.9 | E136 E137 K142 E143 R144 | E136-E140 WeakPolarHBondContact O-CG 3.4Å; E136-E140 PolarHBondContact O-N 3.46Å; E137-E140 PolarHBondContact O-N 3.28Å; E140-K142 VanDerWaalsContact C-N 3.32Å; E140-E143 PolarHBondContact O-N 3.21Å; E140-R144 WeakPolarHBondContact O-CB 3.33Å; E140-R144 WeakPolarHBondContact O-CG 3.47Å; E140-R144 PolarHBondContact O-N 3Å; E140-R144 PolarHBondContact O-NE 2.91Å |
| 141 | M | 93 | Very high | 95.1 | Very high | 85 Ų | 85 | 105 Ų | 105 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.1 | -74.8 | -67.3 | -55.6 | 0 | 0 | 110.2 | E137 F138 R144 E145 | E137-M141 WeakPolarHBondContact O-CB 3.28Å; E137-M141 VanDerWaalsContact O-CG 3.22Å; E137-M141 WeakPolarHBondContact O-CG 3.38Å; E137-M141 PolarHBondContact O-N 3.49Å; F138-M141 PolarHBondContact O-N 3Å; M141-R144 PolarHBondContact O-N 3.13Å; M141-R144 PolarHBondContact SD-NH1 2.93Å; M141-R144 PolarHBondContact SD-NH2 3.25Å; M141-E145 WeakPolarHBondContact O-CG 3.39Å; M141-E145 PolarHBondContact O-N 3.14Å |
| 142 | K | 95 | Very high | 94.9 | Very high | 109 Ų | 109 | 105 Ų | 105 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 178.9 | -168.6 | -174.9 | 179.5 | -166.1 | 0 | 112 | F138 A139 E140 R144 E145 E146 | F138-K142 WeakPolarHBondContact O-CB 3.33Å; F138-K142 PolarHBondContact O-N 3.44Å; A139-K142 PolarHBondContact O-N 3.44Å; E140-K142 VanDerWaalsContact C-N 3.32Å; K142-R144 VanDerWaalsContact C-N 3.31Å; K142-R144 PolarHBondContact O-N 3.1Å; K142-E145 PolarHBondContact O-N 3.03Å; K142-E146 VanDerWaalsContact CE-OE1 3.31Å; K142-E146 WeakPolarHBondContact CE-OE1 3.47Å; K142-E146 IonicContact NZ-OE1 2.79Å; K142-E146 WeakPolarHBondContact O-CB 3.37Å; K142-E146 WeakPolarHBondContact O-CG 3.21Å; K142-E146 PolarHBondContact O-N 2.92Å |
| 143 | E | 94.3 | Very high | 94.6 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 174.8 | -79.5 | -165.4 | -171.4 | 0 | 0 | 112.3 | A139 E140 E146 K147 | A139-E143 PolarHBondContact O-N 3.15Å; E140-E143 PolarHBondContact O-N 3.21Å; E143-E146 PolarHBondContact O-N 3.42Å; E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 VanDerWaalsContact O-CG 3.22Å; E143-K147 WeakPolarHBondContact O-CG 3.49Å; E143-K147 PolarHBondContact O-N 3.32Å; E143-K147 IonicContact OE2-NZ 2.74Å; E143-K147 PolarHBondContact OE2-NZ 2.88Å |
| 144 | R | 94.3 | Very high | 94.4 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 177 | -78.3 | -176.6 | -85.2 | 121.1 | -8.5 | 111.5 | E140 M141 K142 K147 K148 | E140-R144 WeakPolarHBondContact O-CB 3.33Å; E140-R144 WeakPolarHBondContact O-CG 3.47Å; E140-R144 PolarHBondContact O-N 3Å; E140-R144 PolarHBondContact O-NE 2.91Å; M141-R144 PolarHBondContact O-N 3.13Å; M141-R144 PolarHBondContact SD-NH1 2.93Å; M141-R144 PolarHBondContact SD-NH2 3.25Å; K142-R144 VanDerWaalsContact C-N 3.31Å; K142-R144 PolarHBondContact O-N 3.1Å; R144-K147 PolarHBondContact O-N 2.94Å; R144-K148 WeakPolarHBondContact O-CB 3.41Å; R144-K148 WeakPolarHBondContact O-CG 3.23Å; R144-K148 PolarHBondContact O-N 3.18Å |
| 145 | E | 93.4 | Very high | 94.1 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 173.8 | -73.1 | 179.5 | 176.4 | 0 | 0 | 111.8 | M141 K142 K147 K148 A149 | M141-E145 WeakPolarHBondContact O-CG 3.39Å; M141-E145 PolarHBondContact O-N 3.14Å; K142-E145 PolarHBondContact O-N 3.03Å; E145-K147 PolarHBondContact O-N 3.32Å; E145-K148 PolarHBondContact O-N 3.38Å; E145-A149 WeakPolarHBondContact O-CB 3.35Å; E145-A149 PolarHBondContact O-N 2.96Å |
| 146 | E | 93.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.7 | -74.3 | 179.7 | -172.8 | 0 | 0 | 111.9 | K142 E143 A149 N150 | K142-E146 VanDerWaalsContact CE-OE1 3.31Å; K142-E146 WeakPolarHBondContact CE-OE1 3.47Å; K142-E146 IonicContact NZ-OE1 2.79Å; K142-E146 WeakPolarHBondContact O-CB 3.37Å; K142-E146 WeakPolarHBondContact O-CG 3.21Å; K142-E146 PolarHBondContact O-N 2.92Å; E143-E146 PolarHBondContact O-N 3.42Å; E146-A149 PolarHBondContact O-N 3.45Å; E146-N150 VanDerWaalsContact O-CB 3.32Å; E146-N150 WeakPolarHBondContact O-CB 3.42Å; E146-N150 PolarHBondContact O-N 2.86Å; E146-N150 PolarHBondContact O-ND2 3.02Å |
| 147 | K | 93.9 | Very high | 93.4 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.1 | -76.5 | 167.4 | -175.6 | 159.7 | 0 | 111.3 | E143 R144 E145 N150 L151 | E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 VanDerWaalsContact O-CG 3.22Å; E143-K147 WeakPolarHBondContact O-CG 3.49Å; E143-K147 PolarHBondContact O-N 3.32Å; E143-K147 IonicContact OE2-NZ 2.74Å; E143-K147 PolarHBondContact OE2-NZ 2.88Å; R144-K147 PolarHBondContact O-N 2.94Å; E145-K147 PolarHBondContact O-N 3.32Å; K147-N150 PolarHBondContact O-N 3.05Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 3.45Å |
| 148 | K | 93.8 | Very high | 93 | Very high | 155 Ų | 155 | 104.4 Ų | 104.4 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 175.5 | -74.7 | 177.7 | -179.3 | -176.9 | 0 | 111.7 | R144 E145 N150 L151 E152 | R144-K148 WeakPolarHBondContact O-CB 3.41Å; R144-K148 WeakPolarHBondContact O-CG 3.23Å; R144-K148 PolarHBondContact O-N 3.18Å; E145-K148 PolarHBondContact O-N 3.38Å; K148-N150 VanDerWaalsContact C-N 3.31Å; K148-N150 PolarHBondContact O-N 2.97Å; K148-L151 PolarHBondContact O-N 3.34Å; K148-E152 PolarHBondContact O-N 2.77Å |
| 149 | A | 93.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 101.4 Ų | 101.4 | 28% | 0.281 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E145 E146 R153 | E145-A149 WeakPolarHBondContact O-CB 3.35Å; E145-A149 PolarHBondContact O-N 2.96Å; E146-A149 PolarHBondContact O-N 3.45Å; A149-R153 WeakPolarHBondContact O-CB 3.36Å; A149-R153 VanDerWaalsContact O-CG 3.28Å; A149-R153 WeakPolarHBondContact O-CG 3.37Å; A149-R153 PolarHBondContact O-N 3.38Å; A149-R153 PolarHBondContact O-NE 2.88Å |
| 150 | N | 93.8 | Very high | 92.3 | Very high | 76 Ų | 76 | 105.5 Ų | 105.5 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 173 | -76.5 | -18.4 | 0 | 0 | 0 | 110.9 | E146 K147 K148 E152 R153 E154 | E146-N150 VanDerWaalsContact O-CB 3.32Å; E146-N150 WeakPolarHBondContact O-CB 3.42Å; E146-N150 PolarHBondContact O-N 2.86Å; E146-N150 PolarHBondContact O-ND2 3.02Å; K147-N150 PolarHBondContact O-N 3.05Å; K148-N150 VanDerWaalsContact C-N 3.31Å; K148-N150 PolarHBondContact O-N 2.97Å; N150-E152 PolarHBondContact O-N 3.22Å; N150-R153 WeakPolarHBondContact O-CB 3.5Å; N150-R153 PolarHBondContact O-N 2.76Å; N150-R153 PolarHBondContact OD1-NH1 3.48Å; N150-R153 PolarHBondContact OD1-NH2 3.4Å; N150-E154 WeakPolarHBondContact O-CG 3.39Å; N150-E154 PolarHBondContact O-N 3.45Å |
| 151 | L | 93.4 | Very high | 92 | Very high | 114 Ų | 114 | 105.5 Ų | 105.5 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.1 | -46.6 | 176 | -71 | 172.1 | 0 | 0 | 0 | 111.5 | K147 K148 R153 E154 E155 | K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 3.45Å; K148-L151 PolarHBondContact O-N 3.34Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.95Å; L151-E154 PolarHBondContact O-N 2.95Å; L151-E154 VanDerWaalsContact O-N 3.16Å; L151-E155 WeakPolarHBondContact O-CG 3.13Å; L151-E155 PolarHBondContact O-N 3.16Å |
| 152 | E | 92.5 | Very high | 91.7 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 177 | -166.9 | -168.2 | 167.9 | 0 | 0 | 111.8 | K148 N150 K156 | K148-E152 PolarHBondContact O-N 2.77Å; N150-E152 PolarHBondContact O-N 3.22Å; E152-K156 HydrophobicContact CG-CD 4.44Å; E152-K156 WeakPolarHBondContact O-CB 3.19Å; E152-K156 VanDerWaalsContact O-CG 3.27Å; E152-K156 WeakPolarHBondContact O-CG 3.38Å; E152-K156 PolarHBondContact O-N 3.35Å; E152-K156 WeakPolarHBondContact OE1-CE 3.28Å; E152-K156 IonicContact OE1-NZ 3.15Å; E152-K156 PolarHBondContact OE1-NZ 3.45Å |
| 153 | R | 92.2 | Very high | 91.4 | Very high | 132 Ų | 132 | 101.1 Ų | 101.1 | 50% | 0.498 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 173.8 | -82.5 | -177.7 | -98.2 | 135.3 | -2.9 | 111.8 | A149 N150 L151 K156 K157 | A149-R153 WeakPolarHBondContact O-CB 3.36Å; A149-R153 VanDerWaalsContact O-CG 3.28Å; A149-R153 WeakPolarHBondContact O-CG 3.37Å; A149-R153 PolarHBondContact O-N 3.38Å; A149-R153 PolarHBondContact O-NE 2.88Å; N150-R153 WeakPolarHBondContact O-CB 3.5Å; N150-R153 PolarHBondContact O-N 2.76Å; N150-R153 PolarHBondContact OD1-NH1 3.48Å; N150-R153 PolarHBondContact OD1-NH2 3.4Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.95Å; R153-K156 PolarHBondContact O-N 3.4Å; R153-K157 WeakPolarHBondContact O-CB 3.35Å; R153-K157 VanDerWaalsContact O-CG 3.28Å; R153-K157 WeakPolarHBondContact O-CG 3.36Å; R153-K157 PolarHBondContact O-N 2.99Å |
| 154 | E | 92.3 | Very high | 91.1 | Very high | 94 Ų | 94 | 102.2 Ų | 102.2 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 176.3 | -70.3 | -55.2 | 130.2 | 0 | 0 | 111.9 | N150 L151 K157 R158 | N150-E154 WeakPolarHBondContact O-CG 3.39Å; N150-E154 PolarHBondContact O-N 3.45Å; L151-E154 PolarHBondContact O-N 2.95Å; L151-E154 VanDerWaalsContact O-N 3.16Å; E154-K157 WeakPolarHBondContact O-CB 3.44Å; E154-K157 PolarHBondContact O-N 3.38Å; E154-K157 IonicContact OE1-NZ 2.64Å; E154-K157 PolarHBondContact OE1-NZ 3.28Å; E154-R158 WeakPolarHBondContact O-CG 3.31Å; E154-R158 PolarHBondContact O-N 2.93Å |
| 155 | E | 89.1 | Confident | 90.8 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 172.8 | -73.8 | -179.4 | 169.2 | 0 | 0 | 111.3 | L151 K157 R158 D159 | L151-E155 WeakPolarHBondContact O-CG 3.13Å; L151-E155 PolarHBondContact O-N 3.16Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.19Å; E155-R158 PolarHBondContact O-N 2.91Å; E155-R158 VanDerWaalsContact O-N 3.09Å; E155-D159 PolarHBondContact O-N 3.47Å |
| 156 | K | 89.4 | Confident | 90.4 | Very high | 120 Ų | 120 | 95.7 Ų | 95.7 | 52% | 0.522 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 175 | -76.4 | 174.5 | -176.7 | 167.7 | 0 | 112.4 | E152 R153 Y160 | E152-K156 HydrophobicContact CG-CD 4.44Å; E152-K156 WeakPolarHBondContact O-CB 3.19Å; E152-K156 VanDerWaalsContact O-CG 3.27Å; E152-K156 WeakPolarHBondContact O-CG 3.38Å; E152-K156 PolarHBondContact O-N 3.35Å; E152-K156 WeakPolarHBondContact OE1-CE 3.28Å; E152-K156 IonicContact OE1-NZ 3.15Å; E152-K156 PolarHBondContact OE1-NZ 3.45Å; R153-K156 PolarHBondContact O-N 3.4Å; K156-Y160 VanDerWaalsContact O-CB 3.25Å; K156-Y160 WeakPolarHBondContact O-CB 3.43Å; K156-Y160 PolarHBondContact O-N 3.37Å |
| 157 | K | 90.9 | Very high | 90 | Very high | 110 Ų | 110 | 99.1 Ų | 99.1 | 48% | 0.478 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 174.3 | -76.5 | 173.5 | -172.1 | 172.5 | 0 | 111.2 | R153 E154 E155 Y160 Q161 | R153-K157 WeakPolarHBondContact O-CB 3.35Å; R153-K157 VanDerWaalsContact O-CG 3.28Å; R153-K157 WeakPolarHBondContact O-CG 3.36Å; R153-K157 PolarHBondContact O-N 2.99Å; E154-K157 WeakPolarHBondContact O-CB 3.44Å; E154-K157 PolarHBondContact O-N 3.38Å; E154-K157 IonicContact OE1-NZ 2.64Å; E154-K157 PolarHBondContact OE1-NZ 3.28Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.19Å; K157-Y160 PolarHBondContact O-N 2.91Å; K157-Q161 WeakPolarHBondContact O-CB 3.49Å; K157-Q161 WeakPolarHBondContact O-CG 3.47Å; K157-Q161 PolarHBondContact O-N 3.37Å |
| 158 | R | 87.8 | Confident | 89.6 | Confident | 119 Ų | 119 | 95 Ų | 95 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.9 | -74.9 | -152.6 | -82.3 | 125.6 | -8.2 | 111.5 | E154 E155 Y160 Q161 A162 W189 Q192 | E154-R158 WeakPolarHBondContact O-CG 3.31Å; E154-R158 PolarHBondContact O-N 2.93Å; E155-R158 PolarHBondContact O-N 2.91Å; E155-R158 VanDerWaalsContact O-N 3.09Å; R158-Y160 VanDerWaalsContact C-N 3.35Å; R158-Y160 PolarHBondContact O-N 3.34Å; R158-Q161 PolarHBondContact O-N 3.38Å; R158-A162 WeakPolarHBondContact O-CB 3.37Å; R158-A162 PolarHBondContact O-N 2.98Å; R158-W189 HydrophobicContact CB-CZ3 4.34Å; R158-W189 WeakPolarHBondContact O-CH2 3.27Å; R158-Q192 VanDerWaalsContact NH1-OE1 3.17Å |
| 159 | D | 87.5 | Confident | 89.2 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.4 | -72.7 | -15 | 0 | 0 | 0 | 111.6 | E155 Q161 A162 R163 Q192 | E155-D159 PolarHBondContact O-N 3.47Å; D159-Q161 PolarHBondContact O-N 3.19Å; D159-A162 PolarHBondContact O-N 3.46Å; D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 2.96Å; D159-Q192 PolarHBondContact OD1-NE2 2.89Å |
| 160 | Y | 89.1 | Confident | 88.8 | Confident | 132 Ų | 132 | 89.7 Ų | 89.7 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -44 | 174.8 | 179.2 | -98.8 | 0 | 0 | 0 | 112.3 | K156 K157 R158 R163 K164 L199 | K156-Y160 VanDerWaalsContact O-CB 3.25Å; K156-Y160 WeakPolarHBondContact O-CB 3.43Å; K156-Y160 PolarHBondContact O-N 3.37Å; K157-Y160 PolarHBondContact O-N 2.91Å; R158-Y160 VanDerWaalsContact C-N 3.35Å; R158-Y160 PolarHBondContact O-N 3.34Å; Y160-R163 PolarHBondContact O-N 3.21Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 2.78Å; Y160-L199 HydrophobicContact CE2-CD1 4.32Å; Y160-L199 HydrophobicContact CE2-CD2 4.4Å |
| 161 | Q | 88.8 | Confident | 88.2 | Confident | 103 Ų | 103 | 90.1 Ų | 90.1 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.4 | -74.7 | 179.5 | 21.1 | 0 | 0 | 111.6 | K157 R158 D159 R163 K164 M165 W189 | K157-Q161 WeakPolarHBondContact O-CB 3.49Å; K157-Q161 WeakPolarHBondContact O-CG 3.47Å; K157-Q161 PolarHBondContact O-N 3.37Å; R158-Q161 PolarHBondContact O-N 3.38Å; D159-Q161 PolarHBondContact O-N 3.19Å; Q161-R163 VanDerWaalsContact C-N 3.32Å; Q161-R163 PolarHBondContact O-N 3.2Å; Q161-K164 PolarHBondContact O-N 3.35Å; Q161-K164 VanDerWaalsContact O-N 3.17Å; Q161-M165 WeakPolarHBondContact O-CB 3.31Å; Q161-M165 WeakPolarHBondContact O-CG 3.48Å; Q161-M165 PolarHBondContact O-N 3.3Å; Q161-W189 HydrophobicContact CB-CH2 4.02Å; Q161-W189 HydrophobicContact CB-CZ2 4.17Å |
| 162 | A | 88 | Confident | 87.5 | Confident | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R158 D159 K164 M165 H166 W189 Q192 L193 A196 | R158-A162 WeakPolarHBondContact O-CB 3.37Å; R158-A162 PolarHBondContact O-N 2.98Å; D159-A162 PolarHBondContact O-N 3.46Å; A162-K164 PolarHBondContact O-N 3.41Å; A162-M165 CarbonylContact O-C 3.6Å; A162-M165 PolarHBondContact O-N 2.92Å; A162-H166 WeakPolarHBondContact O-CA 3.43Å; A162-H166 PolarHBondContact O-N 3.36Å; A162-W189 HydrophobicContact CB-CH2 4.12Å; A162-W189 HydrophobicContact CB-CZ2 4.28Å; A162-Q192 HydrophobicContact CB-CG 4.31Å; A162-L193 HydrophobicContact CB-CD2 4.04Å; A162-L193 VanDerWaalsContact O-CD2 3.24Å; A162-L193 WeakPolarHBondContact O-CD2 3.38Å; A162-A196 HydrophobicContact CB-CB 4.01Å |
| 163 | R | 87.3 | Confident | 86.9 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 38% | 0.381 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 175.9 | -65.2 | 175.9 | 65.6 | -159.5 | 0.3 | 113.1 | D159 Y160 Q161 A196 K197 L199 | D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 2.96Å; Y160-R163 PolarHBondContact O-N 3.21Å; Q161-R163 VanDerWaalsContact C-N 3.32Å; Q161-R163 PolarHBondContact O-N 3.2Å; R163-A196 HydrophobicContact CG-CB 4.1Å; R163-K197 VanDerWaalsContact CG-O 3.28Å; R163-K197 WeakPolarHBondContact CG-O 3.5Å; R163-K197 PolarHBondContact NE-O 3.01Å; R163-L199 HydrophobicContact CB-CD2 3.92Å; R163-L199 HydrophobicContact CB-CG 3.86Å; R163-L199 PolarHBondContact O-N 3.49Å |
| 164 | K | 88.6 | Confident | 86.3 | Confident | 125 Ų | 125 | 99 Ų | 99 | 54% | 0.543 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.2 | -42.5 | 177.3 | -175.9 | -176.4 | 177.7 | -173.6 | 0 | 111.8 | Y160 Q161 A162 H166 Y167 L199 | Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 2.78Å; Q161-K164 PolarHBondContact O-N 3.35Å; Q161-K164 VanDerWaalsContact O-N 3.17Å; A162-K164 PolarHBondContact O-N 3.41Å; K164-H166 VanDerWaalsContact C-N 3.35Å; K164-Y167 WeakPolarHBondContact O-CD1 3.34Å; K164-Y167 WeakPolarHBondContact O-CE1 3.41Å; K164-L199 HydrophobicContact CB-CD1 3.94Å; K164-L199 HydrophobicContact CG-CD1 4.43Å |
| 165 | M | 86.9 | Confident | 85.7 | Confident | 52 Ų | 52 | 97.9 Ų | 97.9 | 26% | 0.256 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -94.3 | 11.2 | -176.5 | -54 | -58.2 | -69.1 | 0 | 0 | 112.8 | Q161 A162 Y167 L168 | Q161-M165 WeakPolarHBondContact O-CB 3.31Å; Q161-M165 WeakPolarHBondContact O-CG 3.48Å; Q161-M165 PolarHBondContact O-N 3.3Å; A162-M165 CarbonylContact O-C 3.6Å; A162-M165 PolarHBondContact O-N 2.92Å; M165-Y167 HydrophobicContact CE-CE1 4.34Å; M165-Y167 WeakPolarHBondContact CE-OH 3.42Å; M165-Y167 PolarHBondContact O-N 2.94Å; M165-Y167 HydrophobicContact SD-CE1 4.16Å; M165-L168 HydrophobicContact CB-CD1 4.32Å; M165-L168 HydrophobicContact CE-CD1 3.54Å; M165-L168 HydrophobicContact CE-CG 4.38Å; M165-L168 WeakPolarHBondContact O-CB 3.32Å; M165-L168 PolarHBondContact O-N 2.97Å |
| 166 | H | 87.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 93.3 Ų | 93.3 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -54.1 | -25.8 | -176.7 | -178.3 | -74.7 | 0 | 0 | 0 | 113.2 | A162 K164 L168 L169 A196 P198 | A162-H166 WeakPolarHBondContact O-CA 3.43Å; A162-H166 PolarHBondContact O-N 3.36Å; K164-H166 VanDerWaalsContact C-N 3.35Å; H166-L168 PolarHBondContact O-N 3.45Å; H166-L169 VanDerWaalsContact O-CB 3.27Å; H166-L169 WeakPolarHBondContact O-CB 3.23Å; H166-L169 PolarHBondContact O-N 3.24Å; H166-A196 PolarHBondContact CD2-O 3.5Å; H166-A196 PolarHBondContact NE2-O 3.42Å; H166-P198 HydrophobicContact CB-CB 4.17Å |
| 167 | Y | 84.3 | Confident | 85 | Confident | 167 Ų | 167 | 93.6 Ų | 93.6 | 66% | 0.655 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -66.6 | -14.5 | 176.5 | 66.4 | -92 | 0 | 0 | 0 | 114.2 | K164 M165 L169 | K164-Y167 WeakPolarHBondContact O-CD1 3.34Å; K164-Y167 WeakPolarHBondContact O-CE1 3.41Å; M165-Y167 HydrophobicContact CE-CE1 4.34Å; M165-Y167 WeakPolarHBondContact CE-OH 3.42Å; M165-Y167 PolarHBondContact O-N 2.94Å; M165-Y167 HydrophobicContact SD-CE1 4.16Å; Y167-L169 VanDerWaalsContact C-N 3.26Å |
| 168 | L | 86 | Confident | 84.6 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 17% | 0.173 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -82.2 | -1.1 | 176.3 | -64.6 | -177.4 | 0 | 0 | 0 | 113.8 | M165 H166 I177 Y178 | M165-L168 HydrophobicContact CB-CD1 4.32Å; M165-L168 HydrophobicContact CE-CD1 3.54Å; M165-L168 HydrophobicContact CE-CG 4.38Å; M165-L168 WeakPolarHBondContact O-CB 3.32Å; M165-L168 PolarHBondContact O-N 2.97Å; H166-L168 PolarHBondContact O-N 3.45Å; L168-I177 HydrophobicContact CD2-CD1 3.9Å; L168-Y178 HydrophobicContact CB-CE2 4.3Å; L168-Y178 HydrophobicContact CD1-CE2 3.88Å |
| 169 | L | 85.6 | Confident | 84.4 | Confident | 47 Ų | 47 | 88.7 Ų | 88.7 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -62.1 | 139.7 | 178.9 | -167.1 | 96.4 | 0 | 0 | 0 | 111.5 | H166 Y167 T171 L193 Q194 | H166-L169 VanDerWaalsContact O-CB 3.27Å; H166-L169 WeakPolarHBondContact O-CB 3.23Å; H166-L169 PolarHBondContact O-N 3.24Å; Y167-L169 VanDerWaalsContact C-N 3.26Å; L169-T171 PolarHBondContact O-N 3.37Å; L169-L193 VanDerWaalsContact CD1-C 3.49Å; L169-L193 HydrophobicContact CD1-CB 3.51Å; L169-Q194 HydrophobicContact CD1-CB 4.36Å; L169-Q194 HydrophobicContact CD1-CG 3.76Å |
| 170 | S | 84.4 | Confident | 84.1 | Confident | 29 Ų | 29 | 86.9 Ų | 86.9 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -59 | 134.5 | 174.6 | -168 | 0 | 0 | 0 | 0 | 112.2 | P175 G176 N179 E190 | S170-P175 WeakPolarHBondContact OG-CA 3.46Å; S170-G176 VanDerWaalsContact CB-N 3.35Å; S170-G176 PolarHBondContact OG-N 3.41Å; S170-N179 PolarHBondContact OG-ND2 3.26Å; S170-E190 WeakPolarHBondContact CB-OE1 3.48Å; S170-E190 PolarHBondContact N-OE1 2.89Å |
| 171 | T | 82.1 | Confident | 83.6 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -103.4 | 168.8 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 110 | L169 Q173 I174 | L169-T171 PolarHBondContact O-N 3.37Å; T171-Q173 PolarHBondContact O-N 2.88Å; T171-I174 PolarHBondContact N-O 2.97Å; T171-I174 PolarHBondContact OG1-N 3.41Å; T171-I174 VanDerWaalsContact OG1-N 3.15Å; T171-I174 PolarHBondContact OG1-O 3.2Å |
| 172 | K | 78.4 | Confident | 83.2 | Confident | 228 Ų | 228 | 89.5 Ų | 89.5 | 99% | 0.991 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -61 | -24.7 | 176.7 | -70.2 | -170.8 | 176.4 | -175.2 | 0 | 113.4 | ||
| 173 | Q | 79.9 | Confident | 82.8 | Confident | 185 Ų | 185 | 97.1 Ų | 97.1 | 86% | 0.864 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -103.2 | -28.6 | -172.6 | -164.8 | 166.8 | -3.4 | 0 | 0 | 112.7 | T171 | T171-Q173 PolarHBondContact O-N 2.88Š|
| 174 | I | 79.6 | Confident | 82.4 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -133.9 | 124 | 179.7 | -57.8 | 177.6 | 0 | 0 | 0 | 109.5 | T171 | T171-I174 PolarHBondContact N-O 2.97Å; T171-I174 PolarHBondContact OG1-N 3.41Å; T171-I174 VanDerWaalsContact OG1-N 3.15Å; T171-I174 PolarHBondContact OG1-O 3.2Å |
| 175 | P | 79.8 | Confident | 82 | Confident | 70 Ų | 70 | 104.1 Ų | 104.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | trans | -65.6 | 133.8 | 174 | 26.2 | -31.6 | 0 | 0 | 0 | 111.2 | S170 N179 P181 | S170-P175 WeakPolarHBondContact OG-CA 3.46Å; P175-N179 WeakPolarHBondContact CB-O 3.46Å; P175-P181 HydrophobicContact CG-CG 4.42Å | ||
| 176 | G | 79.4 | Confident | 81.7 | Confident | 13 Ų | 13 | 104 Ų | 104 | 13% | 0.134 | 51% | 0.506 | C | S | . | . | trans | -70.7 | 162.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S170 Y178 N179 | S170-G176 VanDerWaalsContact CB-N 3.35Å; S170-G176 PolarHBondContact OG-N 3.41Å; G176-Y178 PolarHBondContact O-N 3.4Å; G176-Y178 VanDerWaalsContact O-N 3.11Å; G176-N179 CarbonylContact O-C 3.56Å; G176-N179 PolarHBondContact O-N 2.95Å | ||
| 177 | I | 83.3 | Confident | 81.7 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 65% | 0.646 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34.5 | -177.4 | -60.9 | 177.3 | 0 | 0 | 0 | 111.5 | L168 | L168-I177 HydrophobicContact CD2-CD1 3.9Š|
| 178 | Y | 83.2 | Confident | 81.8 | Confident | 78 Ų | 78 | 100.9 Ų | 100.9 | 31% | 0.306 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.1 | -177.8 | -54.4 | -75.4 | 0 | 0 | 0 | 113.9 | L168 G176 D187 W189 E190 L193 | L168-Y178 HydrophobicContact CB-CE2 4.3Å; L168-Y178 HydrophobicContact CD1-CE2 3.88Å; G176-Y178 PolarHBondContact O-N 3.4Å; G176-Y178 VanDerWaalsContact O-N 3.11Å; Y178-D187 VanDerWaalsContact O-CB 3.27Å; Y178-D187 WeakPolarHBondContact O-CB 3.4Å; Y178-D187 PolarHBondContact O-N 3.49Å; Y178-W189 HydrophobicContact CD1-CB 4.4Å; Y178-W189 AromaticContact CD1-CD1 3.82Å; Y178-W189 HydrophobicContact CD1-CG 4.49Å; Y178-W189 AromaticContact CD2-CD1 3.62Å; Y178-W189 AromaticContact CE1-CD1 3.71Å; Y178-W189 AromaticContact CE2-CD1 3.49Å; Y178-W189 VanDerWaalsContact CE2-CD1 3.49Å; Y178-W189 AromaticContact CE2-NE1 3.8Å; Y178-W189 AromaticContact CG-CD1 3.77Å; Y178-W189 AromaticContact CZ-CD1 3.53Å; Y178-W189 AromaticContact CZ-NE1 3.87Å; Y178-E190 WeakPolarHBondContact CB-OE2 3.37Å; Y178-L193 HydrophobicContact CD2-CD1 3.93Å; Y178-L193 HydrophobicContact CE2-CD1 4.37Å |
| 179 | N | 83.5 | Confident | 81.8 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -122.2 | 66.7 | 174.7 | -167.6 | 26.8 | 0 | 0 | 0 | 110.7 | S170 P175 G176 E190 | S170-N179 PolarHBondContact OG-ND2 3.26Å; P175-N179 WeakPolarHBondContact CB-O 3.46Å; G176-N179 CarbonylContact O-C 3.56Å; G176-N179 PolarHBondContact O-N 2.95Å; N179-E190 HydrophobicContact CB-CG 4.02Å |
| 180 | S | 81.2 | Confident | 81.8 | Confident | 41 Ų | 41 | 99.1 Ų | 99.1 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | trans | -71.4 | 132.2 | -178.4 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | F182 R183 | S180-F182 PolarHBondContact O-N 3.3Å; S180-R183 PolarHBondContact O-N 3.02Å | ||
| 181 | P | 78.9 | Confident | 81.9 | Confident | 99 Ų | 99 | 101.7 Ų | 101.7 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -8.8 | -179.7 | 23.4 | -32.3 | 0 | 0 | 0 | 114.3 | P175 | P175-P181 HydrophobicContact CG-CG 4.42Š|
| 182 | F | 79.7 | Confident | 82 | Confident | 191 Ų | 191 | 99.3 Ų | 99.3 | 84% | 0.838 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -7.7 | 174.9 | -55.9 | -71.2 | 0 | 0 | 0 | 113.6 | S180 | S180-F182 PolarHBondContact O-N 3.3Š|
| 183 | R | 79.3 | Confident | 82.4 | Confident | 160 Ų | 160 | 88.4 Ų | 88.4 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | trans | -100.4 | 141.1 | 176.3 | -68.3 | -170 | 173.6 | -156.4 | 0.3 | 110.5 | S180 D187 | S180-R183 PolarHBondContact O-N 3.02Å; R183-D187 IonicContact NH1-OD2 3.52Å | ||
| 184 | K | 79.4 | Confident | 82.6 | Confident | 214 Ų | 214 | 85 Ų | 85 | 93% | 0.93 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -73.7 | -29 | 178.9 | -66.1 | -177.8 | 179.5 | -179.9 | 0 | 112.8 | ||
| 185 | E | 80.6 | Confident | 82.9 | Confident | 158 Ų | 158 | 88.2 Ų | 88.2 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -127.2 | 141.9 | 179.7 | -67.4 | 177.2 | -169.2 | 0 | 0 | 109.7 | ||
| 186 | P | 80.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | trans | -58.9 | 147.3 | 172.9 | -19.6 | 30.9 | 0 | 0 | 0 | 111.1 | E190 | P186-E190 HydrophobicContact CB-CB 4.09Å; P186-E190 HydrophobicContact CB-CG 4.21Å | ||
| 187 | D | 86.1 | Confident | 83.5 | Confident | 47 Ų | 47 | 93.4 Ų | 93.4 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | trans | -59.1 | 142.6 | 174.5 | -166.9 | -66.1 | 0 | 0 | 0 | 110 | Y178 R183 W189 E190 L191 | Y178-D187 VanDerWaalsContact O-CB 3.27Å; Y178-D187 WeakPolarHBondContact O-CB 3.4Å; Y178-D187 PolarHBondContact O-N 3.49Å; R183-D187 IonicContact NH1-OD2 3.52Å; D187-W189 PolarHBondContact O-N 3.45Å; D187-W189 WeakPolarHBondContact OD1-CB 3.32Å; D187-W189 PolarHBondContact OD1-N 2.99Å; D187-E190 WeakPolarHBondContact O-CA 3.47Å; D187-E190 WeakPolarHBondContact O-CB 3.27Å; D187-E190 PolarHBondContact O-N 2.88Å; D187-L191 PolarHBondContact O-N 3.15Å | ||
| 188 | P | 86.7 | Confident | 83.5 | Confident | 99 Ų | 99 | 90.7 Ų | 90.7 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -47.2 | -30.1 | 173.2 | -30.6 | 34.9 | 0 | 0 | 0 | 114.1 | L191 Q192 | P188-L191 PolarHBondContact O-N 2.95Å; P188-Q192 PolarHBondContact O-N 2.96Å |
| 189 | W | 86.1 | Confident | 83.4 | Confident | 42 Ų | 42 | 90.2 Ų | 90.2 | 16% | 0.159 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 175.2 | -165.9 | -117.7 | 0 | 0 | 0 | 113.7 | R158 Q161 A162 Y178 D187 L191 Q192 L193 | R158-W189 HydrophobicContact CB-CZ3 4.34Å; R158-W189 WeakPolarHBondContact O-CH2 3.27Å; Q161-W189 HydrophobicContact CB-CH2 4.02Å; Q161-W189 HydrophobicContact CB-CZ2 4.17Å; A162-W189 HydrophobicContact CB-CH2 4.12Å; A162-W189 HydrophobicContact CB-CZ2 4.28Å; Y178-W189 HydrophobicContact CD1-CB 4.4Å; Y178-W189 AromaticContact CD1-CD1 3.82Å; Y178-W189 HydrophobicContact CD1-CG 4.49Å; Y178-W189 AromaticContact CD2-CD1 3.62Å; Y178-W189 AromaticContact CE1-CD1 3.71Å; Y178-W189 AromaticContact CE2-CD1 3.49Å; Y178-W189 VanDerWaalsContact CE2-CD1 3.49Å; Y178-W189 AromaticContact CE2-NE1 3.8Å; Y178-W189 AromaticContact CG-CD1 3.77Å; Y178-W189 AromaticContact CZ-CD1 3.53Å; Y178-W189 AromaticContact CZ-NE1 3.87Å; D187-W189 PolarHBondContact O-N 3.45Å; D187-W189 WeakPolarHBondContact OD1-CB 3.32Å; D187-W189 PolarHBondContact OD1-N 2.99Å; W189-L191 VanDerWaalsContact C-N 3.33Å; W189-L191 PolarHBondContact O-N 3.2Å; W189-Q192 HydrophobicContact CE3-CB 4.46Å; W189-Q192 PolarHBondContact O-N 3.38Å; W189-L193 WeakPolarHBondContact O-CG 3.24Å; W189-L193 PolarHBondContact O-N 3.43Å |
| 190 | E | 86.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 94 Ų | 94 | 1% | 0.005 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175 | -171.8 | 73.3 | -174.6 | 0 | 0 | 111 | S170 Y178 N179 P186 D187 Q192 L193 Q194 | S170-E190 WeakPolarHBondContact CB-OE1 3.48Å; S170-E190 PolarHBondContact N-OE1 2.89Å; Y178-E190 WeakPolarHBondContact CB-OE2 3.37Å; N179-E190 HydrophobicContact CB-CG 4.02Å; P186-E190 HydrophobicContact CB-CB 4.09Å; P186-E190 HydrophobicContact CB-CG 4.21Å; D187-E190 WeakPolarHBondContact O-CA 3.47Å; D187-E190 WeakPolarHBondContact O-CB 3.27Å; D187-E190 PolarHBondContact O-N 2.88Å; E190-Q192 VanDerWaalsContact C-N 3.29Å; E190-Q192 PolarHBondContact O-N 3.13Å; E190-L193 PolarHBondContact O-N 3.42Å; E190-Q194 WeakPolarHBondContact O-CG 3.4Å; E190-Q194 PolarHBondContact O-N 3.03Å |
| 191 | L | 86.1 | Confident | 81.9 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 175.6 | -64.2 | 175.4 | 0 | 0 | 0 | 112.3 | D187 P188 W189 K195 | D187-L191 PolarHBondContact O-N 3.15Å; P188-L191 PolarHBondContact O-N 2.95Å; W189-L191 VanDerWaalsContact C-N 3.33Å; W189-L191 PolarHBondContact O-N 3.2Å; L191-K195 WeakPolarHBondContact O-CG 3.31Å; L191-K195 PolarHBondContact O-N 3.17Å |
| 192 | Q | 84.6 | Confident | 80.9 | Confident | 36 Ų | 36 | 106.5 Ų | 106.5 | 17% | 0.168 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -72.9 | -37.8 | 175.9 | -166.1 | 164.7 | 3 | 0 | 0 | 111.3 | R158 D159 A162 P188 W189 E190 K195 A196 | R158-Q192 VanDerWaalsContact NH1-OE1 3.17Å; D159-Q192 PolarHBondContact OD1-NE2 2.89Å; A162-Q192 HydrophobicContact CB-CG 4.31Å; P188-Q192 PolarHBondContact O-N 2.96Å; W189-Q192 HydrophobicContact CE3-CB 4.46Å; W189-Q192 PolarHBondContact O-N 3.38Å; E190-Q192 VanDerWaalsContact C-N 3.29Å; E190-Q192 PolarHBondContact O-N 3.13Å; Q192-K195 PolarHBondContact O-N 3.31Å; Q192-A196 PolarHBondContact O-N 2.91Å; Q192-A196 VanDerWaalsContact O-N 3.13Å |
| 193 | L | 85.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 108.2 Ų | 108.2 | 0% | 0 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 173.9 | -70.4 | 169 | 0 | 0 | 0 | 112 | A162 L169 Y178 W189 E190 K195 A196 | A162-L193 HydrophobicContact CB-CD2 4.04Å; A162-L193 VanDerWaalsContact O-CD2 3.24Å; A162-L193 WeakPolarHBondContact O-CD2 3.38Å; L169-L193 VanDerWaalsContact CD1-C 3.49Å; L169-L193 HydrophobicContact CD1-CB 3.51Å; Y178-L193 HydrophobicContact CD2-CD1 3.93Å; Y178-L193 HydrophobicContact CE2-CD1 4.37Å; W189-L193 WeakPolarHBondContact O-CG 3.24Å; W189-L193 PolarHBondContact O-N 3.43Å; E190-L193 PolarHBondContact O-N 3.42Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 PolarHBondContact O-N 3.3Å; L193-A196 PolarHBondContact O-N 2.74Å |
| 194 | Q | 84.6 | Confident | 78.4 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 176.8 | -73.5 | 177.5 | 15.9 | 0 | 0 | 113.1 | L169 E190 | L169-Q194 HydrophobicContact CD1-CB 4.36Å; L169-Q194 HydrophobicContact CD1-CG 3.76Å; E190-Q194 WeakPolarHBondContact O-CG 3.4Å; E190-Q194 PolarHBondContact O-N 3.03Å |
| 195 | K | 86.3 | Confident | 77.4 | Confident | 183 Ų | 183 | 104.8 Ų | 104.8 | 80% | 0.796 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -79.9 | -26.9 | 178 | -68.9 | 176.9 | -177.2 | 178.7 | 0 | 112.7 | L191 Q192 L193 | L191-K195 WeakPolarHBondContact O-CG 3.31Å; L191-K195 PolarHBondContact O-N 3.17Å; Q192-K195 PolarHBondContact O-N 3.31Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 PolarHBondContact O-N 3.3Å |
| 196 | A | 86.6 | Confident | 76 | Confident | 19 Ų | 19 | 103.5 Ų | 103.5 | 16% | 0.157 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -76.4 | 146 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A162 R163 H166 Q192 L193 | A162-A196 HydrophobicContact CB-CB 4.01Å; R163-A196 HydrophobicContact CG-CB 4.1Å; H166-A196 PolarHBondContact CD2-O 3.5Å; H166-A196 PolarHBondContact NE2-O 3.42Å; Q192-A196 PolarHBondContact O-N 2.91Å; Q192-A196 VanDerWaalsContact O-N 3.13Å; L193-A196 PolarHBondContact O-N 2.74Å |
| 197 | K | 84 | Confident | 74.6 | Confident | 174 Ų | 174 | 110.8 Ų | 110.8 | 76% | 0.757 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 135.1 | 170.5 | -66.9 | -179.7 | -179.6 | 178.1 | 0 | 109.9 | R163 | R163-K197 VanDerWaalsContact CG-O 3.28Å; R163-K197 WeakPolarHBondContact CG-O 3.5Å; R163-K197 PolarHBondContact NE-O 3.01Å |
| 198 | P | 83.3 | Confident | 72.8 | Confident | 69 Ų | 69 | 117.1 Ų | 117.1 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 148.6 | -176.9 | 23.2 | -32 | 0 | 0 | 0 | 111.4 | H166 T200 | H166-P198 HydrophobicContact CB-CB 4.17Å; P198-T200 PolarHBondContact O-N 2.9Å |
| 199 | L | 81.3 | Confident | 70.9 | Confident | 68 Ų | 68 | 122 Ų | 122 | 36% | 0.356 | 58% | 0.576 | S | S | . | * | trans | -61.4 | 110.5 | 172.9 | -69.7 | 175.1 | 0 | 0 | 0 | 109.4 | Y160 R163 K164 H201 | Y160-L199 HydrophobicContact CE2-CD1 4.32Å; Y160-L199 HydrophobicContact CE2-CD2 4.4Å; R163-L199 HydrophobicContact CB-CD2 3.92Å; R163-L199 HydrophobicContact CB-CG 3.86Å; R163-L199 PolarHBondContact O-N 3.49Å; K164-L199 HydrophobicContact CB-CD1 3.94Å; K164-L199 HydrophobicContact CG-CD1 4.43Å; L199-H201 PolarHBondContact O-N 3.11Å | ||
| 200 | T | 71.1 | Confident | 69 | Low | 126 Ų | 126 | 127.7 Ų | 127.7 | 77% | 0.773 | 61% | 0.61 | S | S | * | * | trans | -74.1 | 118.5 | 169.8 | 21.1 | 0 | 0 | 0 | 0 | 109.1 | P198 R202 | P198-T200 PolarHBondContact O-N 2.9Å; T200-R202 PolarHBondContact O-N 3.38Å | ||
| 201 | H | 61.9 | Low | 67.2 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 89% | 0.889 | 65% | 0.645 | S | S | * | * | trans | -61.2 | 110.4 | 168 | -103 | -53.8 | 0 | 0 | 0 | 108.7 | L199 R203 | L199-H201 PolarHBondContact O-N 3.11Å; H201-R203 PolarHBondContact O-N 3.34Å; H201-R203 VanDerWaalsContact O-N 3.12Å | ||
| 202 | R | 59.3 | Low | 65.7 | Low | 212 Ų | 212 | 134.8 Ų | 134.8 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | trans | -60.9 | 114.7 | 168.4 | -117.1 | -178.1 | 177.8 | -177.4 | 1 | 107.1 | T200 | T200-R202 PolarHBondContact O-N 3.38Š| ||
| 203 | R | 54.1 | Low | 64 | Low | 226 Ų | 226 | 137 Ų | 137 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.6 | 162.5 | -72.6 | -177.1 | 178.8 | 179.2 | -0.4 | 107.4 | H201 K205 | H201-R203 PolarHBondContact O-N 3.34Å; H201-R203 VanDerWaalsContact O-N 3.12Å; R203-K205 PolarHBondContact O-N 3.01Å |
| 204 | P | 52.1 | Low | 62.6 | Low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117 | 176.3 | 21.1 | -30 | 0 | 0 | 0 | 107.7 | V206 | P204-V206 PolarHBondContact O-N 3.05Å; P204-V206 VanDerWaalsContact O-N 3.14Å |
| 205 | K | 59.2 | Low | 61.1 | Low | 176 Ų | 176 | 144.1 Ų | 144.1 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 120.3 | 169.1 | -75.2 | -172.5 | 174.8 | -170.8 | 0 | 106 | R203 K207 | R203-K205 PolarHBondContact O-N 3.01Å; K205-K207 PolarHBondContact O-N 3.14Å |
| 206 | V | 50.8 | Low | 59.6 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 124.5 | 164.7 | 173.6 | 0 | 0 | 0 | 0 | 106.5 | P204 Q208 | P204-V206 PolarHBondContact O-N 3.05Å; P204-V206 VanDerWaalsContact O-N 3.14Å; V206-Q208 VanDerWaalsContact C-N 3.33Å; V206-Q208 PolarHBondContact O-N 2.76Å |
| 207 | K | 51.2 | Low | 58 | Low | 203 Ų | 203 | 149.6 Ų | 149.6 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -55.4 | 99.9 | 172.4 | -76.5 | -177.8 | 174.9 | -177.1 | 0 | 107.3 | K205 K209 | K205-K207 PolarHBondContact O-N 3.14Å; K207-K209 PolarHBondContact O-N 3.02Å | ||
| 208 | Q | 48.6 | Very low | 56.5 | Low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.2 | 159.1 | -75.7 | -161.3 | -12 | 0 | 0 | 106 | V206 D210 | V206-Q208 VanDerWaalsContact C-N 3.33Å; V206-Q208 PolarHBondContact O-N 2.76Å; Q208-D210 PolarHBondContact O-N 3.48Å |
| 209 | K | 47 | Very low | 55 | Low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.3 | 170.3 | -77.3 | 176.9 | 172 | 179 | 0 | 108.1 | K207 S211 | K207-K209 PolarHBondContact O-N 3.02Å; K209-S211 PolarHBondContact O-N 2.97Å |
| 210 | D | 44.4 | Very low | 53.5 | Low | 162 Ų | 162 | 146.5 Ų | 146.5 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 116.4 | -179.5 | -53.6 | -59.4 | 0 | 0 | 0 | 110.6 | Q208 | Q208-D210 PolarHBondContact O-N 3.48Š|
| 211 | S | 48.5 | Very low | 52.6 | Low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -95.4 | 108.4 | 155.4 | 63.4 | 0 | 0 | 0 | 0 | 106.7 | K209 S213 | K209-S211 PolarHBondContact O-N 2.97Å; S211-S213 PolarHBondContact O-N 3.43Å | ||
| 212 | T | 55.6 | Low | 51.9 | Low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | trans | -39.4 | 106.6 | 174.1 | -40.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 213 | S | 49.5 | Very low | 51.5 | Low | 81 Ų | 81 | 133.8 Ų | 133.8 | 57% | 0.566 | 71% | 0.714 | S | S | * | * | trans | -103.2 | 142.4 | 177.7 | 124 | 0 | 0 | 0 | 0 | 108.2 | S211 N215 D216 | S211-S213 PolarHBondContact O-N 3.43Å; S213-N215 PolarHBondContact O-N 3.06Å; S213-D216 PolarHBondContact O-N 2.99Å | ||
| 214 | L | 55.4 | Low | 51.3 | Low | 151 Ų | 151 | 134.7 Ų | 134.7 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.7 | -6.2 | -165.5 | -147.4 | 94.6 | 0 | 0 | 0 | 117.8 | W217 | L214-W217 VanDerWaalsContact O-CB 3.31Å; L214-W217 WeakPolarHBondContact O-CB 3.38Å; L214-W217 PolarHBondContact O-N 3.4Å |
| 215 | N | 54 | Low | 51.4 | Low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -20 | 176.1 | -78.7 | -23.6 | 0 | 0 | 0 | 114.1 | S213 W217 L218 A219 | S213-N215 PolarHBondContact O-N 3.06Å; N215-W217 PolarHBondContact O-N 2.91Å; N215-L218 PolarHBondContact O-N 3.22Å; N215-A219 PolarHBondContact O-N 2.97Å |
| 216 | D | 54.2 | Low | 50.9 | Low | 114 Ų | 114 | 134.2 Ų | 134.2 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.1 | -22.9 | 167.6 | -84.4 | -12.6 | 0 | 0 | 0 | 111.6 | S213 L218 A219 | S213-D216 PolarHBondContact O-N 2.99Å; D216-L218 VanDerWaalsContact C-N 3.34Å; D216-A219 WeakPolarHBondContact O-CB 3.49Å; D216-A219 PolarHBondContact O-N 3.34Å |
| 217 | W | 53.3 | Low | 51 | Low | 203 Ų | 203 | 133.7 Ų | 133.7 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -74.8 | -24 | 172 | -135 | 70.2 | 0 | 0 | 0 | 112.5 | L214 N215 C220 | L214-W217 VanDerWaalsContact O-CB 3.31Å; L214-W217 WeakPolarHBondContact O-CB 3.38Å; L214-W217 PolarHBondContact O-N 3.4Å; N215-W217 PolarHBondContact O-N 2.91Å; W217-C220 VanDerWaalsContact O-CB 3.28Å; W217-C220 WeakPolarHBondContact O-CB 3.45Å; W217-C220 PolarHBondContact O-N 3.18Å |
| 218 | L | 52.2 | Low | 51.3 | Low | 104 Ų | 104 | 135.5 Ų | 135.5 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -83.3 | -17.2 | 172.1 | -80.4 | 160.8 | 0 | 0 | 0 | 112.6 | N215 D216 C220 T221 | N215-L218 PolarHBondContact O-N 3.22Å; D216-L218 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 3.12Å; L218-T221 WeakPolarHBondContact O-CB 3.33Å; L218-T221 PolarHBondContact O-N 3.1Å |
| 219 | A | 51 | Low | 51.4 | Low | 51 Ų | 51 | 132.4 Ų | 132.4 | 42% | 0.421 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -63.9 | -24.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N215 D216 T221 S222 | N215-A219 PolarHBondContact O-N 2.97Å; D216-A219 WeakPolarHBondContact O-CB 3.49Å; D216-A219 PolarHBondContact O-N 3.34Å; A219-T221 PolarHBondContact O-N 3.38Å; A219-S222 PolarHBondContact O-N 2.95Å; A219-S222 PolarHBondContact O-OG 2.93Å |
| 220 | C | 51 | Low | 51.8 | Low | 91 Ų | 91 | 131.1 Ų | 131.1 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -18 | 169.7 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | W217 L218 | W217-C220 VanDerWaalsContact O-CB 3.28Å; W217-C220 WeakPolarHBondContact O-CB 3.45Å; W217-C220 PolarHBondContact O-N 3.18Å; L218-C220 PolarHBondContact O-N 3.12Å |
| 221 | T | 50.6 | Low | 52.4 | Low | 104 Ų | 104 | 131.7 Ų | 131.7 | 64% | 0.638 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -17.6 | 173.9 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | L218 A219 A223 | L218-T221 WeakPolarHBondContact O-CB 3.33Å; L218-T221 PolarHBondContact O-N 3.1Å; A219-T221 PolarHBondContact O-N 3.38Å; T221-A223 PolarHBondContact O-N 2.92Å |
| 222 | S | 48.6 | Very low | 52.9 | Low | 73 Ų | 73 | 132.9 Ų | 132.9 | 51% | 0.51 | 71% | 0.709 | S | S | . | * | trans | -77.9 | 2.3 | 174.4 | 76 | 0 | 0 | 0 | 0 | 114.1 | A219 R224 S225 | A219-S222 PolarHBondContact O-N 2.95Å; A219-S222 PolarHBondContact O-OG 2.93Å; S222-R224 PolarHBondContact O-N 3.43Å; S222-S225 PolarHBondContact O-N 2.91Å; S222-S225 PolarHBondContact O-OG 3.28Å | ||
| 223 | A | 50.2 | Low | 52.9 | Low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 19.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T221 | T221-A223 PolarHBondContact O-N 2.92Š|
| 224 | R | 50.8 | Low | 53.3 | Low | 244 Ų | 244 | 133.9 Ų | 133.9 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 21.2 | 167.8 | -66 | -165.6 | -172.5 | -173.2 | 4.1 | 113.5 | S222 | S222-R224 PolarHBondContact O-N 3.43Š|
| 225 | S | 53.8 | Low | 53.3 | Low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -104.2 | 129.8 | 162.9 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | S222 | S222-S225 PolarHBondContact O-N 2.91Å; S222-S225 PolarHBondContact O-OG 3.28Å |
| 226 | F | 47.5 | Very low | 53.7 | Low | 201 Ų | 201 | 133.7 Ų | 133.7 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 135.7 | -179 | -72.5 | -87.8 | 0 | 0 | 0 | 110.9 | R228 | F226-R228 PolarHBondContact O-N 2.76Š|
| 227 | P | 53.8 | Low | 54 | Low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.6 | 178 | 26.9 | -31.6 | 0 | 0 | 0 | 109.9 | S229 | P227-S229 PolarHBondContact O-N 3.12Š|
| 228 | R | 56.4 | Low | 54.5 | Low | 240 Ų | 240 | 135.7 Ų | 135.7 | 91% | 0.906 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.5 | 168.5 | -153.2 | 176.3 | -170.7 | -154.3 | 1.9 | 106.7 | F226 E230 | F226-R228 PolarHBondContact O-N 2.76Å; R228-E230 PolarHBondContact O-N 3.02Å |
| 229 | S | 50.8 | Low | 55.1 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | -65.1 | 102.2 | -173.2 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | P227 | P227-S229 PolarHBondContact O-N 3.12Š| ||
| 230 | E | 56.2 | Low | 55.7 | Low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 143.9 | 153.8 | -69.7 | -176 | 174.3 | 0 | 0 | 108.9 | R228 L232 | R228-E230 PolarHBondContact O-N 3.02Å; E230-L232 PolarHBondContact O-N 2.87Å | ||
| 231 | I | 57 | Low | 56.4 | Low | 174 Ų | 174 | 144.3 Ų | 144.3 | 89% | 0.892 | 75% | 0.747 | S | S | * | * | trans | -58.7 | 110.7 | 179.2 | -62.7 | 163.8 | 0 | 0 | 0 | 107.5 | ||||
| 232 | L | 58.7 | Low | 57.4 | Low | 132 Ų | 132 | 141.6 Ų | 141.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -63.9 | 145.3 | 179.5 | -68.2 | 171.7 | 0 | 0 | 0 | 110.1 | E230 | E230-L232 PolarHBondContact O-N 2.87Š| ||
| 233 | P | 56.8 | Low | 59 | Low | 100 Ų | 100 | 144.7 Ų | 144.7 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | trans | -57.7 | 152.9 | 174.8 | 26 | -33.7 | 0 | 0 | 0 | 110 | I235 | P233-I235 PolarHBondContact O-N 2.97Š| ||
| 234 | P | 57.9 | Low | 60.3 | Low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 106.1 | 179.9 | 23.7 | -31.6 | 0 | 0 | 0 | 108.9 | N236 | P234-N236 PolarHBondContact O-N 2.97Š| ||
| 235 | I | 55.3 | Low | 61.6 | Low | 103 Ų | 103 | 143.6 Ų | 143.6 | 53% | 0.528 | 74% | 0.74 | S | S | . | * | trans | -67.5 | 109.4 | 178.9 | -53.7 | 173.2 | 0 | 0 | 0 | 105.8 | P233 R237 | P233-I235 PolarHBondContact O-N 2.97Å; I235-R237 HydrophobicContact CB-CG 3.86Å; I235-R237 HydrophobicContact CG2-CB 4.31Å; I235-R237 HydrophobicContact CG2-CG 3.53Å; I235-R237 WeakPolarHBondContact O-CG 3.37Å; I235-R237 PolarHBondContact O-N 3.19Å | ||
| 236 | N | 60.7 | Low | 62.9 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | -66.3 | 87.6 | 157.1 | -85.2 | -33.5 | 0 | 0 | 0 | 106.5 | P234 K238 | P234-N236 PolarHBondContact O-N 2.97Å; N236-K238 PolarHBondContact O-N 3.37Å | ||
| 237 | R | 60.8 | Low | 64.4 | Low | 169 Ų | 169 | 135.8 Ų | 135.8 | 64% | 0.638 | 70% | 0.7 | S | S | * | * | trans | -68.5 | 101 | -171.3 | -68 | 178.4 | -174.5 | -180 | 1.6 | 109.2 | I235 I247 | I235-R237 HydrophobicContact CB-CG 3.86Å; I235-R237 HydrophobicContact CG2-CB 4.31Å; I235-R237 HydrophobicContact CG2-CG 3.53Å; I235-R237 WeakPolarHBondContact O-CG 3.37Å; I235-R237 PolarHBondContact O-N 3.19Å; R237-I247 HydrophobicContact CB-CD1 4.3Å | ||
| 238 | K | 65.4 | Low | 65.7 | Low | 189 Ų | 189 | 134 Ų | 134 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.1 | 164.5 | -64.3 | -177.2 | 178.5 | -178.4 | 0 | 108.8 | N236 C240 | N236-K238 PolarHBondContact O-N 3.37Å; K238-C240 PolarHBondContact O-N 2.91Å |
| 239 | Q | 64.3 | Low | 67.1 | Low | 149 Ų | 149 | 126.7 Ų | 126.7 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 128.2 | 173.2 | -99.1 | -180 | -15 | 0 | 0 | 109.8 | Q241 | Q239-Q241 PolarHBondContact O-N 3.38Š|
| 240 | C | 63.7 | Low | 68.7 | Low | 85 Ų | 85 | 124.4 Ų | 124.4 | 57% | 0.574 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.2 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | K238 G242 | K238-C240 PolarHBondContact O-N 2.91Å; C240-G242 PolarHBondContact O-N 3.44Å |
| 241 | Q | 64.3 | Low | 70 | Confident | 194 Ų | 194 | 119.6 Ų | 119.6 | 91% | 0.907 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -74.9 | 117.9 | 175.4 | -73.4 | -168.5 | -4.6 | 0 | 0 | 110.2 | Q239 | Q239-Q241 PolarHBondContact O-N 3.38Š|
| 242 | G | 72.5 | Confident | 71.5 | Confident | 47 Ų | 47 | 118 Ų | 118 | 49% | 0.485 | 61% | 0.612 | S | S | . | * | S | Bend | trans | 150.4 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C240 F244 | C240-G242 PolarHBondContact O-N 3.44Å; G242-F244 PolarHBondContact O-N 2.86Å |
| 243 | P | 81.6 | Confident | 72.8 | Confident | 137 Ų | 137 | 117.7 Ų | 117.7 | 89% | 0.89 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -77.9 | 38.5 | 177.1 | 35.5 | -36.7 | 0 | 0 | 0 | 111.8 | ||
| 244 | F | 77.3 | Confident | 74 | Confident | 151 Ų | 151 | 121.6 Ų | 121.6 | 66% | 0.662 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 140.5 | 179.9 | -60.6 | -68.5 | 0 | 0 | 0 | 109.6 | G242 | G242-F244 PolarHBondContact O-N 2.86Š|
| 245 | R | 77.8 | Confident | 75.5 | Confident | 157 Ų | 157 | 123.1 Ų | 123.1 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 151 | 177.3 | -69.4 | 178.2 | 177.3 | -93.5 | 0.3 | 110.8 | E249 V250 | R245-E249 HydrophobicContact CB-CB 4.47Å; R245-E249 IonicContact NH1-OE2 3.7Å; R245-E249 PolarHBondContact NH1-OE2 3.32Å; R245-E249 VanDerWaalsContact NH1-OE2 3.15Å; R245-V250 HydrophobicContact CB-CG2 3.97Å |
| 246 | D | 81.2 | Confident | 76.9 | Confident | 74 Ų | 74 | 124.2 Ų | 124.2 | 40% | 0.396 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 150.2 | -178.7 | -150.5 | -6.2 | 0 | 0 | 0 | 110.7 | T248 E249 V250 | D246-T248 PolarHBondContact O-N 3.07Å; D246-E249 PolarHBondContact O-N 3.44Å; D246-E249 VanDerWaalsContact O-N 3.08Å; D246-V250 PolarHBondContact O-N 3.31Å; D246-V250 VanDerWaalsContact O-N 3.11Å |
| 247 | I | 79.1 | Confident | 77.9 | Confident | 54 Ų | 54 | 121.7 Ų | 121.7 | 28% | 0.277 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -34.3 | -170.6 | -64.5 | 167.5 | 0 | 0 | 0 | 110.6 | R237 V250 L251 | R237-I247 HydrophobicContact CB-CD1 4.3Å; I247-V250 PolarHBondContact O-N 3.47Å; I247-L251 HydrophobicContact CG2-CD1 3.95Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.39Å; I247-L251 VanDerWaalsContact O-CG 3.24Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.35Å |
| 248 | T | 81.9 | Confident | 78.7 | Confident | 84 Ų | 84 | 121.9 Ų | 121.9 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.1 | -48 | 175.2 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | D246 V250 L251 E252 | D246-T248 PolarHBondContact O-N 3.07Å; T248-V250 VanDerWaalsContact C-N 3.33Å; T248-V250 PolarHBondContact O-N 3.16Å; T248-L251 PolarHBondContact O-N 3.29Å; T248-E252 WeakPolarHBondContact O-CB 3.36Å; T248-E252 WeakPolarHBondContact O-CG 3.23Å; T248-E252 PolarHBondContact O-N 2.89Å |
| 249 | E | 85.6 | Confident | 79.2 | Confident | 85 Ų | 85 | 119.7 Ų | 119.7 | 40% | 0.397 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.5 | -40.6 | 177.5 | -69.4 | -170 | -178.7 | 0 | 0 | 112.3 | R245 D246 L251 E252 Q253 | R245-E249 HydrophobicContact CB-CB 4.47Å; R245-E249 IonicContact NH1-OE2 3.7Å; R245-E249 PolarHBondContact NH1-OE2 3.32Å; R245-E249 VanDerWaalsContact NH1-OE2 3.15Å; D246-E249 PolarHBondContact O-N 3.44Å; D246-E249 VanDerWaalsContact O-N 3.08Å; E249-L251 VanDerWaalsContact C-N 3.34Å; E249-E252 PolarHBondContact O-N 3.36Å; E249-Q253 WeakPolarHBondContact O-CB 3.42Å; E249-Q253 PolarHBondContact O-N 2.96Å |
| 250 | V | 84.6 | Confident | 79.8 | Confident | 69 Ų | 69 | 116.5 Ų | 116.5 | 42% | 0.418 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.2 | -39.4 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | R245 D246 I247 T248 Q253 R254 | R245-V250 HydrophobicContact CB-CG2 3.97Å; D246-V250 PolarHBondContact O-N 3.31Å; D246-V250 VanDerWaalsContact O-N 3.11Å; I247-V250 PolarHBondContact O-N 3.47Å; T248-V250 VanDerWaalsContact C-N 3.33Å; T248-V250 PolarHBondContact O-N 3.16Å; V250-Q253 PolarHBondContact O-N 2.97Å; V250-R254 VanDerWaalsContact O-CB 3.3Å; V250-R254 WeakPolarHBondContact O-CB 3.11Å; V250-R254 PolarHBondContact O-N 3.19Å |
| 251 | L | 84.1 | Confident | 80.3 | Confident | 73 Ų | 73 | 116.9 Ų | 116.9 | 38% | 0.382 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68 | -41.9 | 175.3 | -70.5 | 170.5 | 0 | 0 | 0 | 111.2 | I247 T248 E249 Q253 R254 Y255 | I247-L251 HydrophobicContact CG2-CD1 3.95Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.39Å; I247-L251 VanDerWaalsContact O-CG 3.24Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.35Å; T248-L251 PolarHBondContact O-N 3.29Å; E249-L251 VanDerWaalsContact C-N 3.34Å; L251-Q253 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 2.97Å; L251-R254 PolarHBondContact O-N 3.16Å; L251-Y255 HydrophobicContact CB-CD2 4.45Å; L251-Y255 HydrophobicContact CD2-CD2 4.42Å; L251-Y255 HydrophobicContact CD2-CE2 3.88Å; L251-Y255 WeakPolarHBondContact O-CB 3.37Å; L251-Y255 WeakPolarHBondContact O-CD2 3.3Å; L251-Y255 PolarHBondContact O-N 3.43Å |
| 252 | E | 88.1 | Confident | 80.4 | Confident | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.2 | -41.6 | 173.8 | -77.3 | 179.3 | -176.8 | 0 | 0 | 111.9 | T248 E249 K256 | T248-E252 WeakPolarHBondContact O-CB 3.36Å; T248-E252 WeakPolarHBondContact O-CG 3.23Å; T248-E252 PolarHBondContact O-N 2.89Å; E249-E252 PolarHBondContact O-N 3.36Å; E252-K256 WeakPolarHBondContact O-CA 3.43Å; E252-K256 WeakPolarHBondContact O-CB 3.32Å; E252-K256 PolarHBondContact O-N 3.09Å |
| 253 | Q | 84.9 | Confident | 79.8 | Confident | 125 Ų | 125 | 122.4 Ų | 122.4 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.3 | -42.2 | 173.5 | -81.7 | -173.1 | -22.4 | 0 | 0 | 112.4 | E249 V250 L251 Y255 K256 | E249-Q253 WeakPolarHBondContact O-CB 3.42Å; E249-Q253 PolarHBondContact O-N 2.96Å; V250-Q253 PolarHBondContact O-N 2.97Å; L251-Q253 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 2.97Å; Q253-Y255 VanDerWaalsContact C-N 3.34Å; Q253-K256 PolarHBondContact O-N 2.98Å |
| 254 | R | 83.6 | Confident | 79.2 | Confident | 182 Ų | 182 | 121 Ų | 121 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67 | -36.7 | -178.6 | -172.8 | 177.4 | -172.6 | -136.6 | 3.5 | 112.3 | V250 L251 | V250-R254 VanDerWaalsContact O-CB 3.3Å; V250-R254 WeakPolarHBondContact O-CB 3.11Å; V250-R254 PolarHBondContact O-N 3.19Å; L251-R254 PolarHBondContact O-N 3.16Å |
| 255 | Y | 87.8 | Confident | 78.9 | Confident | 159 Ų | 159 | 116.8 Ų | 116.8 | 62% | 0.624 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 10.8 | -179.4 | -64.4 | -68.6 | 0 | 0 | 0 | 113.1 | L251 Q253 P257 | L251-Y255 HydrophobicContact CB-CD2 4.45Å; L251-Y255 HydrophobicContact CD2-CD2 4.42Å; L251-Y255 HydrophobicContact CD2-CE2 3.88Å; L251-Y255 WeakPolarHBondContact O-CB 3.37Å; L251-Y255 WeakPolarHBondContact O-CD2 3.3Å; L251-Y255 PolarHBondContact O-N 3.43Å; Q253-Y255 VanDerWaalsContact C-N 3.34Å; Y255-P257 WeakPolarHBondContact O-CD 3.09Å |
| 256 | K | 85.9 | Confident | 78.5 | Confident | 127 Ų | 127 | 113.9 Ų | 113.9 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121 | 174.5 | -169 | -179 | 175.3 | -166.5 | 0 | 108.2 | E252 Q253 L258 E259 | E252-K256 WeakPolarHBondContact O-CA 3.43Å; E252-K256 WeakPolarHBondContact O-CB 3.32Å; E252-K256 PolarHBondContact O-N 3.09Å; Q253-K256 PolarHBondContact O-N 2.98Å; K256-L258 PolarHBondContact O-N 3.36Å; K256-E259 WeakPolarHBondContact CE-OE1 3.31Å; K256-E259 IonicContact NZ-OE1 3.7Å; K256-E259 PolarHBondContact NZ-OE1 3.47Å |
| 257 | P | 80.9 | Confident | 77.9 | Confident | 106 Ų | 106 | 114 Ų | 114 | 69% | 0.688 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.7 | 177.6 | 24.6 | -32.2 | 0 | 0 | 0 | 109.1 | Y255 E259 | Y255-P257 WeakPolarHBondContact O-CD 3.09Å; P257-E259 PolarHBondContact O-N 3.43Å |
| 258 | L | 78.4 | Confident | 77.7 | Confident | 172 Ų | 172 | 119.5 Ų | 119.5 | 90% | 0.901 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 120.9 | 177.6 | -67 | 170.6 | 0 | 0 | 0 | 108.5 | K256 | K256-L258 PolarHBondContact O-N 3.36Š|
| 259 | E | 76.6 | Confident | 77.6 | Confident | 144 Ų | 144 | 119.7 Ų | 119.7 | 67% | 0.673 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 125.6 | 171 | -72.7 | 171 | -153.6 | 0 | 0 | 107.6 | K256 P257 T261 | K256-E259 WeakPolarHBondContact CE-OE1 3.31Å; K256-E259 IonicContact NZ-OE1 3.7Å; K256-E259 PolarHBondContact NZ-OE1 3.47Å; P257-E259 PolarHBondContact O-N 3.43Å; E259-T261 PolarHBondContact O-N 2.95Å |
| 260 | P | 75.6 | Confident | 77.3 | Confident | 82 Ų | 82 | 119.4 Ų | 119.4 | 53% | 0.532 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 135.7 | 179.5 | 21.8 | -29.8 | 0 | 0 | 0 | 109 | V264 A265 | P260-V264 HydrophobicContact CB-CB 3.87Å; P260-V264 HydrophobicContact CB-CG1 3.73Å; P260-A265 HydrophobicContact CG-CB 4.49Å |
| 261 | T | 75.4 | Confident | 77.1 | Confident | 93 Ų | 93 | 121.7 Ų | 121.7 | 57% | 0.571 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 152.7 | 172.8 | 42 | 0 | 0 | 0 | 0 | 109.6 | E259 W263 V264 A265 | E259-T261 PolarHBondContact O-N 2.95Å; T261-W263 PolarHBondContact O-N 3.49Å; T261-V264 WeakPolarHBondContact O-CA 3.47Å; T261-V264 PolarHBondContact O-N 3.28Å; T261-A265 PolarHBondContact O-N 2.98Å |
| 262 | L | 65.3 | Low | 77.1 | Confident | 123 Ų | 123 | 124.2 Ų | 124.2 | 64% | 0.644 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -45.4 | -35.9 | 178.3 | -100.2 | 158.1 | 0 | 0 | 0 | 113 | V264 A265 E266 | L262-V264 VanDerWaalsContact C-N 3.32Å; L262-V264 PolarHBondContact O-N 3.4Å; L262-A265 PolarHBondContact O-N 3.36Å; L262-E266 HydrophobicContact CD2-CG 4.4Å; L262-E266 WeakPolarHBondContact O-CB 3.48Å; L262-E266 PolarHBondContact O-N 2.84Å |
| 263 | W | 59 | Low | 77 | Confident | 233 Ų | 233 | 121.6 Ų | 121.6 | 88% | 0.883 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -24.2 | 176.4 | -71.7 | 82.1 | 0 | 0 | 0 | 115.9 | T261 | T261-W263 PolarHBondContact O-N 3.49Å |
| 264 | V | 69.8 | Low | 77.1 | Confident | 108 Ų | 108 | 118.2 Ų | 118.2 | 66% | 0.655 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -96.9 | -30.7 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | P260 T261 L262 | P260-V264 HydrophobicContact CB-CB 3.87Å; P260-V264 HydrophobicContact CB-CG1 3.73Å; T261-V264 WeakPolarHBondContact O-CA 3.47Å; T261-V264 PolarHBondContact O-N 3.28Å; L262-V264 VanDerWaalsContact C-N 3.32Å; L262-V264 PolarHBondContact O-N 3.4Å |
| 265 | A | 71.5 | Confident | 77.2 | Confident | 63 Ų | 63 | 117 Ų | 117 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.9 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P260 T261 L262 | P260-A265 HydrophobicContact CG-CB 4.49Å; T261-A265 PolarHBondContact O-N 2.98Å; L262-A265 PolarHBondContact O-N 3.36Å |
| 266 | E | 68.4 | Low | 77.3 | Confident | 95 Ų | 95 | 113.6 Ų | 113.6 | 44% | 0.444 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -91.3 | 121.4 | 177.2 | -67.8 | -170.8 | 172.2 | 0 | 0 | 110.5 | L262 I268 E270 | L262-E266 HydrophobicContact CD2-CG 4.4Å; L262-E266 WeakPolarHBondContact O-CB 3.48Å; L262-E266 PolarHBondContact O-N 2.84Å; E266-I268 PolarHBondContact O-N 3.27Å; E266-E270 WeakPolarHBondContact CB-OE1 3.36Å; E266-E270 WeakPolarHBondContact CG-OE1 3.48Å |
| 267 | P | 69.7 | Low | 77.5 | Confident | 77 Ų | 77 | 112.5 Ų | 112.5 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | trans | -61.1 | 134.3 | 176.4 | 17.2 | -26.1 | 0 | 0 | 0 | 111.2 | N269 E270 | P267-N269 PolarHBondContact O-N 2.88Å; P267-E270 WeakPolarHBondContact CD-OE1 3.45Å; P267-E270 HydrophobicContact CG-CG 3.86Å; P267-E270 WeakPolarHBondContact O-CG 3.49Å; P267-E270 PolarHBondContact O-N 2.98Å | ||
| 268 | I | 74.6 | Confident | 78 | Confident | 169 Ų | 169 | 111.9 Ų | 111.9 | 87% | 0.867 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | -22.3 | -178.1 | -62 | 166.1 | 0 | 0 | 0 | 113.5 | E266 | E266-I268 PolarHBondContact O-N 3.27Š|
| 269 | N | 78.7 | Confident | 78.4 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.3 | 7.4 | -178.4 | -76.8 | -28.6 | 0 | 0 | 0 | 115.3 | P267 L271 K272 L273 | P267-N269 PolarHBondContact O-N 2.88Å; N269-L271 PolarHBondContact O-N 3.22Å; N269-L271 VanDerWaalsContact O-N 3.16Å; N269-K272 WeakPolarHBondContact O-CA 3.38Å; N269-K272 WeakPolarHBondContact O-CB 3.32Å; N269-K272 PolarHBondContact O-N 2.7Å; N269-L273 PolarHBondContact O-N 2.97Å |
| 270 | E | 79.3 | Confident | 78.9 | Confident | 80 Ų | 80 | 111 Ų | 111 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -50.6 | -43.1 | -179.9 | -82.8 | -172.6 | -179.3 | 0 | 0 | 113.1 | E266 P267 K272 L273 A274 | E266-E270 WeakPolarHBondContact CB-OE1 3.36Å; E266-E270 WeakPolarHBondContact CG-OE1 3.48Å; P267-E270 WeakPolarHBondContact CD-OE1 3.45Å; P267-E270 HydrophobicContact CG-CG 3.86Å; P267-E270 WeakPolarHBondContact O-CG 3.49Å; P267-E270 PolarHBondContact O-N 2.98Å; E270-K272 VanDerWaalsContact C-N 3.27Å; E270-K272 PolarHBondContact O-N 2.73Å; E270-L273 PolarHBondContact O-N 3.28Å; E270-A274 VanDerWaalsContact O-CB 3.32Å; E270-A274 WeakPolarHBondContact O-CB 3.42Å; E270-A274 PolarHBondContact O-N 2.74Å |
| 271 | L | 80.9 | Confident | 79.5 | Confident | 116 Ų | 116 | 112.7 Ų | 112.7 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.1 | -34.5 | 177.7 | -165.4 | 86.3 | 0 | 0 | 0 | 112.7 | N269 R275 | N269-L271 PolarHBondContact O-N 3.22Å; N269-L271 VanDerWaalsContact O-N 3.16Å; L271-R275 WeakPolarHBondContact O-CB 3.34Å; L271-R275 VanDerWaalsContact O-CG 3.28Å; L271-R275 WeakPolarHBondContact O-CG 3.19Å; L271-R275 PolarHBondContact O-N 3.09Å |
| 272 | K | 84.1 | Confident | 79.9 | Confident | 127 Ų | 127 | 113.6 Ų | 113.6 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.9 | -45.3 | 176.3 | -83.7 | -178.1 | 176.6 | 174.6 | 0 | 110.8 | N269 E270 R275 E276 | N269-K272 WeakPolarHBondContact O-CA 3.38Å; N269-K272 WeakPolarHBondContact O-CB 3.32Å; N269-K272 PolarHBondContact O-N 2.7Å; E270-K272 VanDerWaalsContact C-N 3.27Å; E270-K272 PolarHBondContact O-N 2.73Å; K272-R275 WeakPolarHBondContact O-CB 3.4Å; K272-R275 PolarHBondContact O-N 3.34Å; K272-E276 WeakPolarHBondContact O-CG 3.2Å; K272-E276 PolarHBondContact O-N 3.38Å |
| 273 | L | 86.4 | Confident | 80.5 | Confident | 84 Ų | 84 | 115.4 Ų | 115.4 | 44% | 0.44 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 179 | -68.2 | 173.2 | 0 | 0 | 0 | 111.3 | N269 E270 R275 E276 E277 | N269-L273 PolarHBondContact O-N 2.97Å; E270-L273 PolarHBondContact O-N 3.28Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 3.35Å; L273-E276 PolarHBondContact O-N 2.83Å; L273-E277 PolarHBondContact O-N 3.27Å |
| 274 | A | 86.1 | Confident | 81.7 | Confident | 54 Ų | 54 | 110 Ų | 110 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E270 E276 L278 | E270-A274 VanDerWaalsContact O-CB 3.32Å; E270-A274 WeakPolarHBondContact O-CB 3.42Å; E270-A274 PolarHBondContact O-N 2.74Å; A274-E276 VanDerWaalsContact C-N 3.35Å; A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 PolarHBondContact O-N 3.2Å |
| 275 | R | 87.1 | Confident | 82.2 | Confident | 157 Ų | 157 | 114.1 Ų | 114.1 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.4 | -31 | 174.4 | -79.6 | 175.7 | 178 | 169 | 1.8 | 113.2 | L271 K272 L273 R279 | L271-R275 WeakPolarHBondContact O-CB 3.34Å; L271-R275 VanDerWaalsContact O-CG 3.28Å; L271-R275 WeakPolarHBondContact O-CG 3.19Å; L271-R275 PolarHBondContact O-N 3.09Å; K272-R275 WeakPolarHBondContact O-CB 3.4Å; K272-R275 PolarHBondContact O-N 3.34Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 3.35Å; R275-R279 PolarHBondContact O-N 2.99Å; R275-R279 PolarHBondContact O-NE 3.31Å |
| 276 | E | 89.6 | Confident | 82.6 | Confident | 88 Ų | 88 | 115.9 Ų | 115.9 | 41% | 0.411 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.3 | -39.6 | 176.2 | -75.5 | 172.4 | -173.8 | 0 | 0 | 111.6 | K272 L273 A274 R279 R280 | K272-E276 WeakPolarHBondContact O-CG 3.2Å; K272-E276 PolarHBondContact O-N 3.38Å; L273-E276 PolarHBondContact O-N 2.83Å; A274-E276 VanDerWaalsContact C-N 3.35Å; E276-R279 PolarHBondContact O-N 2.83Å; E276-R280 WeakPolarHBondContact O-CG 2.97Å; E276-R280 PolarHBondContact O-N 3.14Å |
| 277 | E | 90.9 | Very high | 83 | Confident | 103 Ų | 103 | 118.6 Ų | 118.6 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.8 | -48.3 | 170.9 | -80.2 | -179.7 | 166.8 | 0 | 0 | 112 | L273 R279 R280 E281 | L273-E277 PolarHBondContact O-N 3.27Å; E277-R279 VanDerWaalsContact C-N 3.28Å; E277-R279 PolarHBondContact O-N 2.86Å; E277-R280 WeakPolarHBondContact O-CA 3.25Å; E277-R280 WeakPolarHBondContact O-CB 3.29Å; E277-R280 PolarHBondContact O-N 3Å; E277-R280 IonicContact OE1-NH2 3.87Å; E277-E281 PolarHBondContact O-N 3Å |
| 278 | L | 90.4 | Very high | 83.3 | Confident | 93 Ų | 93 | 119.8 Ų | 119.8 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.6 | -37.7 | 178.4 | -167.4 | 151.4 | 0 | 0 | 0 | 111.9 | A274 Q282 | A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 PolarHBondContact O-N 3.2Å; L278-Q282 HydrophobicContact CD2-CG 4.24Å; L278-Q282 VanDerWaalsContact CD2-NE2 3.27Å; L278-Q282 WeakPolarHBondContact O-CB 3.37Å; L278-Q282 VanDerWaalsContact O-CG 3.28Å; L278-Q282 WeakPolarHBondContact O-CG 3.23Å; L278-Q282 PolarHBondContact O-N 3.41Å |
| 279 | R | 86.5 | Confident | 83.1 | Confident | 151 Ų | 151 | 117 Ų | 117 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.1 | -40.5 | 172.1 | -89.2 | -174 | -72.9 | 167.5 | -0.3 | 112.5 | R275 E276 E277 Q282 W283 | R275-R279 PolarHBondContact O-N 2.99Å; R275-R279 PolarHBondContact O-NE 3.31Å; E276-R279 PolarHBondContact O-N 2.83Å; E277-R279 VanDerWaalsContact C-N 3.28Å; E277-R279 PolarHBondContact O-N 2.86Å; R279-Q282 PolarHBondContact O-N 2.86Å; R279-W283 WeakPolarHBondContact O-CB 3.47Å; R279-W283 PolarHBondContact O-N 3Å |
| 280 | R | 86.7 | Confident | 82.8 | Confident | 148 Ų | 148 | 118.2 Ų | 118.2 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -45.4 | 175.8 | -77.5 | -174.8 | -80.6 | 153.3 | -8.8 | 111.3 | E276 E277 Q282 W283 V284 | E276-R280 WeakPolarHBondContact O-CG 2.97Å; E276-R280 PolarHBondContact O-N 3.14Å; E277-R280 WeakPolarHBondContact O-CA 3.25Å; E277-R280 WeakPolarHBondContact O-CB 3.29Å; E277-R280 PolarHBondContact O-N 3Å; E277-R280 IonicContact OE1-NH2 3.87Å; R280-Q282 PolarHBondContact O-N 3.26Å; R280-W283 PolarHBondContact O-N 3.42Å; R280-V284 WeakPolarHBondContact O-CG2 3.3Å; R280-V284 PolarHBondContact O-N 3.23Å |
| 281 | E | 88.6 | Confident | 82.2 | Confident | 117 Ų | 117 | 121.4 Ų | 121.4 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.6 | -41.9 | 176.4 | -70.3 | -175.6 | 171.1 | 0 | 0 | 112.4 | E277 W283 V284 R285 | E277-E281 PolarHBondContact O-N 3Å; E281-W283 VanDerWaalsContact C-N 3.32Å; E281-V284 PolarHBondContact O-N 3.45Å; E281-R285 WeakPolarHBondContact O-CG 3.42Å; E281-R285 PolarHBondContact O-N 3.4Å; E281-R285 VanDerWaalsContact O-N 3.12Å |
| 282 | Q | 83.6 | Confident | 81.3 | Confident | 112 Ų | 112 | 123.7 Ų | 123.7 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.3 | -39.4 | 174.4 | -76.1 | 179.6 | -8.1 | 0 | 0 | 111.9 | L278 R279 R280 R285 N286 | L278-Q282 HydrophobicContact CD2-CG 4.24Å; L278-Q282 VanDerWaalsContact CD2-NE2 3.27Å; L278-Q282 WeakPolarHBondContact O-CB 3.37Å; L278-Q282 VanDerWaalsContact O-CG 3.28Å; L278-Q282 WeakPolarHBondContact O-CG 3.23Å; L278-Q282 PolarHBondContact O-N 3.41Å; R279-Q282 PolarHBondContact O-N 2.86Å; R280-Q282 PolarHBondContact O-N 3.26Å; Q282-R285 PolarHBondContact O-N 3.34Å; Q282-N286 PolarHBondContact O-N 2.93Å; Q282-N286 VanDerWaalsContact O-N 3.1Å; Q282-N286 PolarHBondContact O-OD1 3.34Å |
| 283 | W | 79 | Confident | 80.3 | Confident | 161 Ų | 161 | 120.7 Ų | 120.7 | 61% | 0.61 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -43.8 | 177.5 | -170.2 | 68.5 | 0 | 0 | 0 | 111.9 | R279 R280 E281 R285 N286 D289 | R279-W283 WeakPolarHBondContact O-CB 3.47Å; R279-W283 PolarHBondContact O-N 3Å; R280-W283 PolarHBondContact O-N 3.42Å; E281-W283 VanDerWaalsContact C-N 3.32Å; W283-R285 PolarHBondContact O-N 2.92Å; W283-N286 WeakPolarHBondContact O-CB 3.29Å; W283-N286 PolarHBondContact O-N 3.5Å; W283-D289 PolarHBondContact NE1-OD1 3.41Å |
| 284 | V | 84.6 | Confident | 79.3 | Confident | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.715 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -30.1 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | R280 E281 | R280-V284 WeakPolarHBondContact O-CG2 3.3Å; R280-V284 PolarHBondContact O-N 3.23Å; E281-V284 PolarHBondContact O-N 3.45Å |
| 285 | R | 79.9 | Confident | 78 | Confident | 196 Ų | 196 | 126.1 Ų | 126.1 | 74% | 0.74 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -84.2 | -10.1 | 177.1 | -69.8 | 179.7 | -173.7 | -158.4 | 5.2 | 113.9 | E281 Q282 W283 V287 | E281-R285 WeakPolarHBondContact O-CG 3.42Å; E281-R285 PolarHBondContact O-N 3.4Å; E281-R285 VanDerWaalsContact O-N 3.12Å; Q282-R285 PolarHBondContact O-N 3.34Å; W283-R285 PolarHBondContact O-N 2.92Å; R285-V287 PolarHBondContact O-N 3.42Å |
| 286 | N | 79.6 | Confident | 76.7 | Confident | 99 Ų | 99 | 122.5 Ų | 122.5 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | trans | -76.1 | 120.4 | 177.8 | -84 | -8.9 | 0 | 0 | 0 | 110.1 | Q282 W283 N288 | Q282-N286 PolarHBondContact O-N 2.93Å; Q282-N286 VanDerWaalsContact O-N 3.1Å; Q282-N286 PolarHBondContact O-OD1 3.34Å; W283-N286 WeakPolarHBondContact O-CB 3.29Å; W283-N286 PolarHBondContact O-N 3.5Å; N286-N288 PolarHBondContact O-N 2.94Å | ||
| 287 | V | 76.4 | Confident | 75.1 | Confident | 153 Ų | 153 | 120.9 Ų | 120.9 | 93% | 0.927 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -75.5 | -14.1 | 177 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | R285 | R285-V287 PolarHBondContact O-N 3.42Š|
| 288 | N | 75.8 | Confident | 73.4 | Confident | 101 Ų | 101 | 121.3 Ų | 121.3 | 54% | 0.54 | 59% | 0.59 | S | S | . | * | trans | -145.6 | 125.5 | -177.1 | -172.2 | 2.6 | 0 | 0 | 0 | 110.5 | N286 N290 | N286-N288 PolarHBondContact O-N 2.94Å; N288-N290 VanDerWaalsContact C-N 3.33Å; N288-N290 VanDerWaalsContact OD1-CB 3.28Å; N288-N290 WeakPolarHBondContact OD1-CB 3.44Å; N288-N290 PolarHBondContact OD1-N 2.9Å; N288-N290 PolarHBondContact OD1-ND2 3.32Å; N288-N290 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 289 | D | 70.8 | Confident | 71.8 | Confident | 112 Ų | 112 | 124.1 Ų | 124.1 | 60% | 0.599 | 60% | 0.6 | S | S | * | * | trans | -82.9 | -10.3 | 177.9 | -77.1 | -40.6 | 0 | 0 | 0 | 113.4 | W283 M291 | W283-D289 PolarHBondContact NE1-OD1 3.41Å; D289-M291 PolarHBondContact O-N 3.15Å; D289-M291 VanDerWaalsContact O-N 3.15Å | ||
| 290 | N | 72.1 | Confident | 70.5 | Confident | 113 Ų | 113 | 124.8 Ų | 124.8 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -65.9 | 119.9 | -179.2 | -68.5 | -36.7 | 0 | 0 | 0 | 110.2 | N288 F292 | N288-N290 VanDerWaalsContact C-N 3.33Å; N288-N290 VanDerWaalsContact OD1-CB 3.28Å; N288-N290 WeakPolarHBondContact OD1-CB 3.44Å; N288-N290 PolarHBondContact OD1-N 2.9Å; N288-N290 PolarHBondContact OD1-ND2 3.32Å; N288-N290 VanDerWaalsContact OD1-ND2 3.1Å; N290-F292 PolarHBondContact O-N 2.9Å |
| 291 | M | 66 | Low | 69.1 | Low | 146 Ų | 146 | 125 Ų | 125 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | trans | -54.7 | 124.8 | 173.6 | -168.3 | 162.7 | 64.9 | 0 | 0 | 108.9 | D289 L293 | D289-M291 PolarHBondContact O-N 3.15Å; D289-M291 VanDerWaalsContact O-N 3.15Å; M291-L293 VanDerWaalsContact C-N 3.25Å; M291-L293 HydrophobicContact CE-CD2 3.75Å; M291-L293 PolarHBondContact O-N 2.98Å | ||
| 292 | F | 63.2 | Low | 67.8 | Low | 164 Ų | 164 | 125.6 Ų | 125.6 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | trans | -66.2 | 88.6 | 177.2 | -168.1 | -93.4 | 0 | 0 | 0 | 108.8 | N290 F295 | N290-F292 PolarHBondContact O-N 2.9Å; F292-F295 HydrophobicContact CE1-CE2 4.01Å; F292-F295 HydrophobicContact CE1-CZ 4.33Å; F292-F295 HydrophobicContact CE2-CZ 4.18Å; F292-F295 HydrophobicContact CZ-CE1 4.35Å; F292-F295 AromaticContact CZ-CE2 3.59Å; F292-F295 HydrophobicContact CZ-CE2 3.59Å; F292-F295 AromaticContact CZ-CZ 3.48Å; F292-F295 HydrophobicContact CZ-CZ 3.48Å; F292-F295 VanDerWaalsContact CZ-CZ 3.48Å | ||
| 293 | L | 62.2 | Low | 66.6 | Low | 64 Ų | 64 | 129.6 Ų | 129.6 | 34% | 0.335 | 64% | 0.638 | S | S | . | * | trans | -74.6 | 142.7 | 175.3 | -64.4 | 174 | 0 | 0 | 0 | 108.5 | M291 F295 Y298 | M291-L293 VanDerWaalsContact C-N 3.25Å; M291-L293 HydrophobicContact CE-CD2 3.75Å; M291-L293 PolarHBondContact O-N 2.98Å; L293-F295 PolarHBondContact O-N 3.45Å; L293-Y298 HydrophobicContact CB-CD2 3.87Å; L293-Y298 HydrophobicContact CB-CE2 3.61Å; L293-Y298 HydrophobicContact CD1-CD2 4.07Å; L293-Y298 HydrophobicContact CD1-CE2 3.37Å; L293-Y298 HydrophobicContact CG-CE2 3.84Å | ||
| 294 | P | 66.1 | Low | 66 | Low | 81 Ų | 81 | 130.5 Ų | 130.5 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | trans | -56.1 | 136.9 | 176.3 | 22.2 | -31.6 | 0 | 0 | 0 | 110 | S296 S297 | P294-S296 PolarHBondContact O-N 2.94Å; P294-S297 PolarHBondContact O-N 3.11Å; P294-S297 PolarHBondContact O-OG 3.43Å | ||
| 295 | F | 58.4 | Low | 65.1 | Low | 172 Ų | 172 | 132 Ų | 132 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -12.9 | -176.8 | -65.2 | -78.2 | 0 | 0 | 0 | 115.1 | F292 L293 | F292-F295 HydrophobicContact CE1-CE2 4.01Å; F292-F295 HydrophobicContact CE1-CZ 4.33Å; F292-F295 HydrophobicContact CE2-CZ 4.18Å; F292-F295 HydrophobicContact CZ-CE1 4.35Å; F292-F295 AromaticContact CZ-CE2 3.59Å; F292-F295 HydrophobicContact CZ-CE2 3.59Å; F292-F295 AromaticContact CZ-CZ 3.48Å; F292-F295 HydrophobicContact CZ-CZ 3.48Å; F292-F295 VanDerWaalsContact CZ-CZ 3.48Å; L293-F295 PolarHBondContact O-N 3.45Å |
| 296 | S | 59.6 | Low | 64.1 | Low | 80 Ų | 80 | 126.4 Ų | 126.4 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -8.2 | -177 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | P294 K300 | P294-S296 PolarHBondContact O-N 2.94Å; S296-K300 WeakPolarHBondContact O-CE 3.43Å |
| 297 | S | 56.8 | Low | 63.4 | Low | 54 Ų | 54 | 124.4 Ų | 124.4 | 38% | 0.378 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -112.8 | -28.4 | -171.9 | 67.5 | 0 | 0 | 0 | 0 | 115.9 | P294 H299 | P294-S297 PolarHBondContact O-N 3.11Å; P294-S297 PolarHBondContact O-OG 3.43Å; S297-H299 PolarHBondContact O-N 2.77Å |
| 298 | Y | 55.3 | Low | 62.4 | Low | 112 Ų | 112 | 125.3 Ų | 125.3 | 44% | 0.439 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -68.3 | -35.7 | -171.8 | -104.5 | -78.4 | 0 | 0 | 0 | 114.3 | L293 | L293-Y298 HydrophobicContact CB-CD2 3.87Å; L293-Y298 HydrophobicContact CB-CE2 3.61Å; L293-Y298 HydrophobicContact CD1-CD2 4.07Å; L293-Y298 HydrophobicContact CD1-CE2 3.37Å; L293-Y298 HydrophobicContact CG-CE2 3.84Å |
| 299 | H | 55.9 | Low | 61.4 | Low | 152 Ų | 152 | 129.3 Ų | 129.3 | 70% | 0.704 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -88.5 | -1.7 | -174.5 | -60.5 | -56.8 | 0 | 0 | 0 | 115.2 | S297 | S297-H299 PolarHBondContact O-N 2.77Š|
| 300 | K | 59 | Low | 60.5 | Low | 166 Ų | 166 | 129.9 Ų | 129.9 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -79.2 | -23 | -175.8 | -68.9 | -174.5 | -179.2 | 174.8 | 0 | 113.4 | S296 | S296-K300 WeakPolarHBondContact O-CE 3.43Š|
| 301 | N | 58.3 | Low | 59.3 | Low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -115.5 | -9.9 | -174.1 | -64.1 | -10.4 | 0 | 0 | 0 | 113.9 | ||
| 302 | E | 61.1 | Low | 58.9 | Low | 130 Ų | 130 | 126 Ų | 126 | 61% | 0.607 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -86.1 | 118.1 | 174.8 | -70.5 | -176.2 | 170.2 | 0 | 0 | 110.2 | Y304 | E302-Y304 PolarHBondContact O-N 3.33Å; E302-Y304 VanDerWaalsContact O-N 3.13Å |
| 303 | K | 58.7 | Low | 58.6 | Low | 197 Ų | 197 | 128.3 Ų | 128.3 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | trans | -63.4 | 113.4 | 165.7 | -87.8 | 179.7 | 175.9 | 175.8 | 0 | 107.8 | I305 | K303-I305 PolarHBondContact O-N 2.99Å; K303-I305 VanDerWaalsContact O-N 3.15Å | ||
| 304 | Y | 66.9 | Low | 58.2 | Low | 180 Ų | 180 | 134.6 Ų | 134.6 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -55.3 | 117.6 | 174.2 | 175.8 | -104.7 | 0 | 0 | 0 | 110.5 | E302 P306 | E302-Y304 PolarHBondContact O-N 3.33Å; E302-Y304 VanDerWaalsContact O-N 3.13Å; Y304-P306 HydrophobicContact CD1-CG 4.08Å; Y304-P306 HydrophobicContact CE1-CB 4Å; Y304-P306 HydrophobicContact CE1-CG 3.83Å; Y304-P306 WeakPolarHBondContact O-CD 3.34Å | ||
| 305 | I | 64.8 | Low | 57.4 | Low | 149 Ų | 149 | 135.8 Ų | 135.8 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | -99.2 | 110.5 | 173.9 | -56.5 | 175.3 | 0 | 0 | 0 | 107.1 | K303 S307 | K303-I305 PolarHBondContact O-N 2.99Å; K303-I305 VanDerWaalsContact O-N 3.15Å; I305-S307 PolarHBondContact O-N 2.97Å | ||
| 306 | P | 59.6 | Low | 56.9 | Low | 79 Ų | 79 | 133.8 Ų | 133.8 | 51% | 0.513 | 68% | 0.681 | S | S | . | * | trans | -65.6 | 129.2 | 179.1 | -15.2 | 28.1 | 0 | 0 | 0 | 110.3 | Y304 | Y304-P306 HydrophobicContact CD1-CG 4.08Å; Y304-P306 HydrophobicContact CE1-CB 4Å; Y304-P306 HydrophobicContact CE1-CG 3.83Å; Y304-P306 WeakPolarHBondContact O-CD 3.34Å | ||
| 307 | S | 64.3 | Low | 56.6 | Low | 57 Ų | 57 | 136.1 Ų | 136.1 | 40% | 0.399 | 69% | 0.686 | S | S | . | * | trans | -61.2 | 140.9 | 170.5 | 76.4 | 0 | 0 | 0 | 0 | 110 | I305 H309 L310 | I305-S307 PolarHBondContact O-N 2.97Å; S307-H309 PolarHBondContact O-N 2.92Å; S307-L310 PolarHBondContact O-N 3.3Å; S307-L310 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 308 | M | 55.8 | Low | 56.3 | Low | 172 Ų | 172 | 137.2 Ų | 137.2 | 85% | 0.847 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -57.2 | -19.4 | -177.9 | -69.7 | -151 | -69.4 | 0 | 0 | 114 | ||
| 309 | H | 53.7 | Low | 56.1 | Low | 184 Ų | 184 | 141.1 Ų | 141.1 | 85% | 0.852 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -88.3 | -4 | 179.6 | -57.9 | -62.8 | 0 | 0 | 0 | 114.3 | S307 | S307-H309 PolarHBondContact O-N 2.92Š|
| 310 | L | 52 | Low | 55.9 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -118.1 | 13.2 | -177.5 | -85.2 | 159.3 | 0 | 0 | 0 | 113.5 | S307 S312 | S307-L310 PolarHBondContact O-N 3.3Å; S307-L310 WeakPolarHBondContact OG-CD1 3.44Å; L310-S312 PolarHBondContact O-N 3.34Å |
| 311 | S | 47.6 | Very low | 55.6 | Low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | -72.8 | 68.8 | 175.3 | 71 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 312 | S | 58.6 | Low | 55.4 | Low | 78 Ų | 78 | 141.5 Ų | 141.5 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | -76 | 145.6 | 166.4 | 89.8 | 0 | 0 | 0 | 0 | 109 | L310 Y314 | L310-S312 PolarHBondContact O-N 3.34Å; S312-Y314 PolarHBondContact O-N 3.25Å | ||
| 313 | K | 55.6 | Low | 54.7 | Low | 212 Ų | 212 | 145.4 Ų | 145.4 | 92% | 0.922 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -63.8 | 0.2 | 179.8 | -140.2 | 177 | -173.1 | 179.7 | 0 | 114 | ||
| 314 | Y | 54.1 | Low | 54.4 | Low | 195 Ų | 195 | 146.7 Ų | 146.7 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -101.8 | 111.1 | -176 | -64 | -81.3 | 0 | 0 | 0 | 109.6 | S312 | S312-Y314 PolarHBondContact O-N 3.25Š| ||
| 315 | C | 48.5 | Very low | 53.9 | Low | 107 Ų | 107 | 141.4 Ų | 141.4 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | trans | -61.5 | 155.1 | 169.5 | -75.1 | 0 | 0 | 0 | 0 | 110.9 | I317 | C315-I317 PolarHBondContact O-N 3.46Š| ||
| 316 | P | 49.4 | Very low | 53.6 | Low | 130 Ų | 130 | 143 Ų | 143 | 84% | 0.844 | 72% | 0.721 | S | S | * | * | trans | -64.7 | 104.4 | 170.7 | -6.1 | 21.2 | 0 | 0 | 0 | 107.9 | S318 | P316-S318 PolarHBondContact O-N 3.35Š| ||
| 317 | I | 53.2 | Low | 53.7 | Low | 128 Ų | 128 | 143.7 Ų | 143.7 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | trans | -62.6 | 132.4 | 171.8 | -60.1 | 167.8 | 0 | 0 | 0 | 106.5 | C315 H319 | C315-I317 PolarHBondContact O-N 3.46Å; I317-H319 PolarHBondContact O-N 2.98Å | ||
| 318 | S | 50 | Low | 53.6 | Low | 78 Ų | 78 | 145.5 Ų | 145.5 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | trans | -54.3 | 132.3 | -179.6 | 90.9 | 0 | 0 | 0 | 0 | 109.4 | P316 K320 E321 | P316-S318 PolarHBondContact O-N 3.35Å; S318-K320 PolarHBondContact O-N 3.48Å; S318-E321 PolarHBondContact O-N 3.13Å | ||
| 319 | H | 52 | Low | 53.9 | Low | 194 Ų | 194 | 145.9 Ų | 145.9 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 3.2 | -176.6 | -94.7 | -71.1 | 0 | 0 | 0 | 115.3 | I317 | I317-H319 PolarHBondContact O-N 2.98Š|
| 320 | K | 51.4 | Low | 54.4 | Low | 188 Ų | 188 | 145.1 Ų | 145.1 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -20.7 | 176.5 | -71 | -170.8 | 175.4 | -177.9 | 0 | 113.7 | S318 Q322 | S318-K320 PolarHBondContact O-N 3.48Å; K320-Q322 PolarHBondContact O-N 3.45Å |
| 321 | E | 52.8 | Low | 54.6 | Low | 135 Ų | 135 | 150 Ų | 150 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -95.5 | 89.1 | 177.4 | -69.3 | -179.3 | -179 | 0 | 0 | 109.6 | S318 | S318-E321 PolarHBondContact O-N 3.13Š|
| 322 | Q | 52.5 | Low | 55.1 | Low | 153 Ų | 153 | 151.1 Ų | 151.1 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | trans | -63.1 | 150.2 | -179 | -88.5 | 160.6 | -35 | 0 | 0 | 112.6 | K320 R324 S325 | K320-Q322 PolarHBondContact O-N 3.45Å; Q322-R324 PolarHBondContact O-N 2.89Å; Q322-S325 PolarHBondContact O-N 3.24Å; Q322-S325 PolarHBondContact O-OG 3.44Å | ||
| 323 | F | 48.3 | Very low | 55.2 | Low | 212 Ų | 212 | 151.9 Ų | 151.9 | 93% | 0.93 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 5.9 | 176.3 | -165.8 | -101.7 | 0 | 0 | 0 | 116.5 | ||
| 324 | R | 51.8 | Low | 55.6 | Low | 224 Ų | 224 | 149.7 Ų | 149.7 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 13.1 | -179.8 | -63.7 | -168 | 178.5 | -163.2 | 0 | 114.2 | Q322 E326 | Q322-R324 PolarHBondContact O-N 2.89Å; R324-E326 PolarHBondContact O-N 3.33Å |
| 325 | S | 55.2 | Low | 56.1 | Low | 69 Ų | 69 | 148.4 Ų | 148.4 | 48% | 0.483 | 73% | 0.729 | S | S | . | * | trans | -70.1 | 100.8 | 171.7 | 60.8 | 0 | 0 | 0 | 0 | 109.1 | Q322 N327 | Q322-S325 PolarHBondContact O-N 3.24Å; Q322-S325 PolarHBondContact O-OG 3.44Å; S325-N327 PolarHBondContact O-N 2.81Å | ||
| 326 | E | 60.2 | Low | 56.6 | Low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | -68.6 | 114.8 | 167.5 | -68.9 | -178.9 | -179.5 | 0 | 0 | 107.4 | R324 P328 | R324-E326 PolarHBondContact O-N 3.33Å; E326-P328 WeakPolarHBondContact O-CD 3.41Å | ||
| 327 | N | 60.2 | Low | 57.2 | Low | 94 Ų | 94 | 154.4 Ų | 154.4 | 50% | 0.503 | 74% | 0.738 | S | S | . | * | trans | -88.3 | 93.6 | 169.8 | -92.1 | -40.9 | 0 | 0 | 0 | 107.4 | S325 K329 K330 | S325-N327 PolarHBondContact O-N 2.81Å; N327-K329 PolarHBondContact O-N 3.22Å; N327-K329 VanDerWaalsContact O-N 3.13Å; N327-K330 HydrophobicContact CB-CB 4.12Å; N327-K330 VanDerWaalsContact O-CB 3.29Å; N327-K330 WeakPolarHBondContact O-CB 3.31Å; N327-K330 PolarHBondContact O-N 2.96Å | ||
| 328 | P | 63.6 | Low | 57.6 | Low | 95 Ų | 95 | 157 Ų | 157 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -61.8 | -25.3 | -176.9 | 25 | -35.5 | 0 | 0 | 0 | 112.1 | E326 K330 | E326-P328 WeakPolarHBondContact O-CD 3.41Å; P328-K330 VanDerWaalsContact C-N 3.26Å; P328-K330 PolarHBondContact O-N 3.5Å |
| 329 | K | 62.3 | Low | 58.1 | Low | 181 Ų | 181 | 159.1 Ų | 159.1 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -73.5 | -10.5 | 176.6 | -61.9 | -174 | 179.3 | -176.2 | 0 | 114.3 | N327 W331 | N327-K329 PolarHBondContact O-N 3.22Å; N327-K329 VanDerWaalsContact O-N 3.13Å; K329-W331 VanDerWaalsContact C-N 3.27Å; K329-W331 PolarHBondContact O-N 3.38Å |
| 330 | K | 62.7 | Low | 58.8 | Low | 167 Ų | 167 | 156.5 Ų | 156.5 | 73% | 0.726 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -74.7 | -20.3 | -178.8 | -150.4 | 178.6 | -173.7 | -178.3 | 0 | 112.8 | N327 P328 | N327-K330 HydrophobicContact CB-CB 4.12Å; N327-K330 VanDerWaalsContact O-CB 3.29Å; N327-K330 WeakPolarHBondContact O-CB 3.31Å; N327-K330 PolarHBondContact O-N 2.96Å; P328-K330 VanDerWaalsContact C-N 3.26Å; P328-K330 PolarHBondContact O-N 3.5Å |
| 331 | W | 56.9 | Low | 59.2 | Low | 228 Ų | 228 | 154.2 Ų | 154.2 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -108.4 | -4.2 | -175.9 | -54.4 | 101.5 | 0 | 0 | 0 | 113.3 | K329 | K329-W331 VanDerWaalsContact C-N 3.27Å; K329-W331 PolarHBondContact O-N 3.38Å |
| 332 | I | 59.1 | Low | 59.8 | Low | 124 Ų | 124 | 153.5 Ų | 153.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -97.2 | 100.3 | 173.1 | -58.2 | 168 | 0 | 0 | 0 | 105.7 | ||||
| 333 | C | 59.9 | Low | 60.4 | Low | 94 Ų | 94 | 150.2 Ų | 150.2 | 64% | 0.635 | 75% | 0.751 | S | S | * | * | trans | -112.5 | 124.2 | 173.1 | -160.2 | 0 | 0 | 0 | 0 | 107.5 | K335 | C333-K335 PolarHBondContact O-N 3.3Š| ||
| 334 | D | 63.3 | Low | 61.2 | Low | 165 Ų | 165 | 148.3 Ų | 148.3 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -72 | 14.1 | 177 | -58.9 | -33 | 0 | 0 | 0 | 112.9 | ||
| 335 | K | 64.3 | Low | 61.9 | Low | 168 Ų | 168 | 145.7 Ų | 145.7 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -115.6 | 126.2 | -177.3 | -64.3 | -177.1 | 179.2 | -178.4 | 0 | 109.1 | C333 | C333-K335 PolarHBondContact O-N 3.3Š|
| 336 | D | 58.9 | Low | 62.3 | Low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -60.8 | 147.2 | 172.9 | -66.6 | -30 | 0 | 0 | 0 | 111.1 | Q338 | D336-Q338 PolarHBondContact O-N 3.26Š| ||
| 337 | F | 62.9 | Low | 62.2 | Low | 208 Ų | 208 | 147 Ų | 147 | 91% | 0.912 | 74% | 0.741 | S | S | * | * | trans | -60.3 | 121.8 | 179.9 | -70.3 | -83.9 | 0 | 0 | 0 | 110.9 | T339 | F337-T339 PolarHBondContact O-N 3Š| ||
| 338 | Q | 60.6 | Low | 62.4 | Low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | -73.4 | 114.5 | 171.5 | -77.8 | -179.3 | -11.5 | 0 | 0 | 109.9 | D336 V340 | D336-Q338 PolarHBondContact O-N 3.26Å; Q338-V340 PolarHBondContact O-N 3.08Å | ||
| 339 | T | 62.1 | Low | 62.2 | Low | 123 Ų | 123 | 146.7 Ų | 146.7 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 113.8 | 173.2 | 37.9 | 0 | 0 | 0 | 0 | 110 | F337 L341 | F337-T339 PolarHBondContact O-N 3Å; T339-L341 PolarHBondContact O-N 3.34Å | ||
| 340 | V | 65.6 | Low | 61.9 | Low | 140 Ų | 140 | 147.7 Ų | 147.7 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -76.3 | -14.3 | -179.4 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | Q338 | Q338-V340 PolarHBondContact O-N 3.08Š|
| 341 | L | 61 | Low | 61.9 | Low | 139 Ų | 139 | 142.3 Ų | 142.3 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -126.1 | 142.8 | 178.2 | -66.9 | 169.8 | 0 | 0 | 0 | 110 | T339 S343 | T339-L341 PolarHBondContact O-N 3.34Å; L341-S343 PolarHBondContact O-N 3.31Å |
| 342 | P | 65.4 | Low | 62 | Low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.2 | 171.9 | 25.4 | -31.4 | 0 | 0 | 0 | 108.9 | F344 | P342-F344 PolarHBondContact O-N 3.42Š|
| 343 | S | 64.7 | Low | 61.7 | Low | 83 Ų | 83 | 139.9 Ų | 139.9 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 135.4 | 178.9 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | L341 E345 | L341-S343 PolarHBondContact O-N 3.31Å; S343-E345 PolarHBondContact O-N 3.48Å |
| 344 | F | 65.2 | Low | 61.5 | Low | 173 Ų | 173 | 145.5 Ų | 145.5 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.6 | 170.3 | -84.9 | -92.1 | 0 | 0 | 0 | 109.4 | P342 L346 F347 S348 | P342-F344 PolarHBondContact O-N 3.42Å; F344-L346 PolarHBondContact O-N 3.23Å; F344-F347 HydrophobicContact CB-CD2 4.27Å; F344-F347 PolarHBondContact O-N 3.46Å; F344-S348 PolarHBondContact O-N 2.68Å |
| 345 | E | 66.3 | Low | 61.1 | Low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -50.9 | -31.6 | -175.3 | -71.2 | -172.6 | 165.6 | 0 | 0 | 113.4 | S343 F347 S348 | S343-E345 PolarHBondContact O-N 3.48Å; E345-F347 VanDerWaalsContact C-N 3.28Å; E345-F347 PolarHBondContact O-N 3.31Å; E345-S348 WeakPolarHBondContact O-CB 3.47Å; E345-S348 PolarHBondContact O-N 3.47Å; E345-S348 PolarHBondContact O-OG 2.95Å |
| 346 | L | 63.3 | Low | 60.5 | Low | 140 Ų | 140 | 144.4 Ų | 144.4 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -57 | -38.1 | 177.4 | -158.7 | 83.1 | 0 | 0 | 0 | 112.9 | F344 | F344-L346 PolarHBondContact O-N 3.23Å |
| 347 | F | 59.1 | Low | 60 | Low | 137 Ų | 137 | 141.2 Ų | 141.2 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -92.8 | -12.3 | -178 | -66.4 | -75.5 | 0 | 0 | 0 | 113.2 | F344 E345 K349 Y350 | F344-F347 HydrophobicContact CB-CD2 4.27Å; F344-F347 PolarHBondContact O-N 3.46Å; E345-F347 VanDerWaalsContact C-N 3.28Å; E345-F347 PolarHBondContact O-N 3.31Å; F347-K349 PolarHBondContact O-N 2.9Å; F347-Y350 WeakPolarHBondContact O-CB 3.47Å; F347-Y350 PolarHBondContact O-N 3.23Å |
| 348 | S | 63.6 | Low | 59.5 | Low | 45 Ų | 45 | 135.1 Ų | 135.1 | 32% | 0.315 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -63.3 | -24.7 | 177.2 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | F344 E345 K352 | F344-S348 PolarHBondContact O-N 2.68Å; E345-S348 WeakPolarHBondContact O-CB 3.47Å; E345-S348 PolarHBondContact O-N 3.47Å; E345-S348 PolarHBondContact O-OG 2.95Å; S348-K352 WeakPolarHBondContact O-CD 3.46Å; S348-K352 WeakPolarHBondContact O-CE 3.38Å |
| 349 | K | 59.3 | Low | 58.4 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 60% | 0.6 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -13 | -180 | -65.4 | -179.1 | -178.2 | 176.6 | 0 | 113.3 | F347 G351 K352 L353 | F347-K349 PolarHBondContact O-N 2.9Å; K349-G351 PolarHBondContact O-N 3.2Å; K349-K352 PolarHBondContact O-N 3.32Å; K349-L353 HydrophobicContact CB-CD1 4.27Å |
| 350 | Y | 56.3 | Low | 57.1 | Low | 202 Ų | 202 | 137.2 Ų | 137.2 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 120.4 | -178.3 | -138.3 | -96 | 0 | 0 | 0 | 109.2 | F347 K352 | F347-Y350 WeakPolarHBondContact O-CB 3.47Å; F347-Y350 PolarHBondContact O-N 3.23Å; Y350-K352 PolarHBondContact O-N 3.32Å |
| 351 | G | 61.2 | Low | 55.8 | Low | 55 Ų | 55 | 140.5 Ų | 140.5 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87 | -14.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K349 | K349-G351 PolarHBondContact O-N 3.2Š|
| 352 | K | 59.9 | Low | 55.6 | Low | 167 Ų | 167 | 140.6 Ų | 140.6 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -23.7 | 175.9 | -65.2 | -172.8 | -175.8 | 177.1 | 0 | 114 | S348 K349 Y350 | S348-K352 WeakPolarHBondContact O-CD 3.46Å; S348-K352 WeakPolarHBondContact O-CE 3.38Å; K349-K352 PolarHBondContact O-N 3.32Å; Y350-K352 PolarHBondContact O-N 3.32Å |
| 353 | L | 54 | Low | 55.1 | Low | 133 Ų | 133 | 141.6 Ų | 141.6 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -89.1 | -13.9 | -178.5 | -68.8 | 169.8 | 0 | 0 | 0 | 113.6 | K349 | K349-L353 HydrophobicContact CB-CD1 4.27Š|
| 354 | Y | 54.7 | Low | 54.5 | Low | 212 Ų | 212 | 144.9 Ų | 144.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -116.5 | 59.7 | -178.5 | -62.7 | -77.6 | 0 | 0 | 0 | 110.9 | ||
| 355 | S | 53.9 | Low | 53.9 | Low | 88 Ų | 88 | 143.2 Ų | 143.2 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | -169.9 | 93.4 | 158.9 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 356 | K | 52.3 | Low | 53.1 | Low | 223 Ų | 223 | 141.6 Ų | 141.6 | 97% | 0.97 | 75% | 0.748 | S | S | * | * | trans | -112.9 | 57.5 | 159.5 | -121.5 | -170.7 | -174.5 | -176.7 | 0 | 107.6 | ||||
| 357 | A | 49.8 | Very low | 52.5 | Low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -141.9 | 84.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 358 | G | 51.3 | Low | 52 | Low | 79 Ų | 79 | 142.1 Ų | 142.1 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | 102.1 | 82.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 359 | Q | 38.7 | Very low | 51.1 | Low | 188 Ų | 188 | 149.5 Ų | 149.5 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 145.5 | 154.2 | -92.9 | 174.2 | -39.7 | 0 | 0 | 110.4 | ||||
| 360 | I | 33.1 | Very low | 50.4 | Low | 162 Ų | 162 | 150.5 Ų | 150.5 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | -144.2 | 117.8 | 124.3 | -60.2 | -171.5 | 0 | 0 | 0 | 108.8 | |||||
| 361 | V | 39.9 | Very low | 49.9 | Very low | 209 Ų | 209 | 145.8 Ų | 145.8 | 100% | 1.267 | 81% | 0.811 | S | S | * | * | trans | 47.3 | 0 | 165.4 | -169.6 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 361 of 361 residues in 139.1 ms
(Link to these results)