| 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 | Q | 56.8 | Low | 85.1 | Confident | 251 Ų | 251 | 86.5 Ų | 86.5 | 100% | 1.173 | 44% | 0.444 | S | S | * | . | 0 | 143 | 0 | -71.2 | -176.9 | -11.4 | 0 | 0 | 107.7 | |||||
| 2 | T | 79.8 | Confident | 85.5 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 58% | 0.577 | 46% | 0.458 | S | S | * | . | trans | -131.4 | 162.9 | 179 | 64.6 | 0 | 0 | 0 | 0 | 108.9 | I4 | T2-I4 HydrophobicContact CG2-CD1 4.45Å; T2-I4 PolarHBondContact O-N 3.48Å; T2-I4 WeakPolarHBondContact OG1-CG1 3.2Å; T2-I4 PolarHBondContact OG1-N 3Å | ||
| 3 | N | 87.2 | Confident | 86 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -81.3 | 7.4 | 173 | 64.5 | -17.5 | 0 | 0 | 0 | 113.1 | F6 L7 | N3-F6 WeakPolarHBondContact O-CB 3.41Å; N3-F6 PolarHBondContact O-N 2.69Å; N3-L7 WeakPolarHBondContact O-CG 2.94Å; N3-L7 PolarHBondContact O-N 3.4Å |
| 4 | I | 85.8 | Confident | 86.4 | Confident | 90 Ų | 90 | 83.9 Ų | 83.9 | 46% | 0.462 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.5 | -47.1 | -175.6 | -67 | 171.9 | 0 | 0 | 0 | 112.3 | T2 F6 L7 Q8 | T2-I4 HydrophobicContact CG2-CD1 4.45Å; T2-I4 PolarHBondContact O-N 3.48Å; T2-I4 WeakPolarHBondContact OG1-CG1 3.2Å; T2-I4 PolarHBondContact OG1-N 3Å; I4-F6 VanDerWaalsContact C-N 3.27Å; I4-F6 PolarHBondContact O-N 3.25Å; I4-L7 PolarHBondContact O-N 2.78Å; I4-L7 VanDerWaalsContact O-N 3.14Å; I4-Q8 HydrophobicContact CG2-CG 4.35Å; I4-Q8 WeakPolarHBondContact O-CG 3.4Å; I4-Q8 PolarHBondContact O-N 3.14Å |
| 5 | P | 84.3 | Confident | 86.7 | Confident | 25 Ų | 25 | 83.1 Ų | 83.1 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 179.2 | -24.2 | 35.9 | 0 | 0 | 0 | 112.8 | Q8 N9 L35 | P5-Q8 PolarHBondContact O-N 2.84Å; P5-N9 PolarHBondContact O-N 3.5Å; P5-N9 VanDerWaalsContact O-N 3.08Å; P5-L35 HydrophobicContact CB-CB 4.33Å; P5-L35 HydrophobicContact CB-CD2 4.18Å |
| 6 | F | 90.4 | Very high | 87.1 | Confident | 39 Ų | 39 | 82.9 Ų | 82.9 | 17% | 0.171 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65 | -46 | 174.5 | 171.9 | -100.9 | 0 | 0 | 0 | 111 | N3 I4 Q8 N9 V10 I26 L32 F33 L35 | N3-F6 WeakPolarHBondContact O-CB 3.41Å; N3-F6 PolarHBondContact O-N 2.69Å; I4-F6 VanDerWaalsContact C-N 3.27Å; I4-F6 PolarHBondContact O-N 3.25Å; F6-Q8 VanDerWaalsContact C-N 3.31Å; F6-Q8 PolarHBondContact O-N 3.19Å; F6-N9 WeakPolarHBondContact O-CB 3.33Å; F6-N9 PolarHBondContact O-N 2.65Å; F6-V10 HydrophobicContact CD1-CG2 4.34Å; F6-V10 HydrophobicContact CE1-CG2 3.9Å; F6-V10 HydrophobicContact CE2-CG2 4.22Å; F6-V10 HydrophobicContact CZ-CG2 3.83Å; F6-V10 WeakPolarHBondContact O-CG2 3.3Å; F6-V10 PolarHBondContact O-N 2.69Å; F6-I26 HydrophobicContact CE2-CG2 4.35Å; F6-I26 HydrophobicContact CZ-CD1 4.07Å; F6-I26 HydrophobicContact CZ-CG1 4.28Å; F6-I26 HydrophobicContact CZ-CG2 4.05Å; F6-L32 HydrophobicContact CD2-CB 4.3Å; F6-L32 HydrophobicContact CE2-CB 3.91Å; F6-F33 HydrophobicContact CD2-CD1 4.29Å; F6-F33 HydrophobicContact CD2-CE1 4.16Å; F6-F33 HydrophobicContact CE2-CD1 4.33Å; F6-F33 AromaticContact CE2-CE1 3.86Å; F6-F33 HydrophobicContact CE2-CE1 3.86Å; F6-F33 HydrophobicContact CE2-CE2 4.32Å; F6-F33 AromaticContact CE2-CZ 3.86Å; F6-F33 HydrophobicContact CE2-CZ 3.86Å; F6-L35 HydrophobicContact CB-CD2 3.89Å |
| 7 | L | 90.3 | Very high | 87.3 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 176.4 | -67.6 | 175.5 | 0 | 0 | 0 | 112.2 | N3 I4 V10 L11 | N3-L7 WeakPolarHBondContact O-CG 2.94Å; N3-L7 PolarHBondContact O-N 3.4Å; I4-L7 PolarHBondContact O-N 2.78Å; I4-L7 VanDerWaalsContact O-N 3.14Å; L7-V10 PolarHBondContact O-N 2.95Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.19Å; L7-L11 PolarHBondContact O-N 3.29Å |
| 8 | Q | 88.6 | Confident | 87.6 | Confident | 107 Ų | 107 | 86.9 Ų | 86.9 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 174.3 | -73.1 | 176.6 | -41.1 | 0 | 0 | 111.8 | I4 P5 F6 L11 S12 | I4-Q8 HydrophobicContact CG2-CG 4.35Å; I4-Q8 WeakPolarHBondContact O-CG 3.4Å; I4-Q8 PolarHBondContact O-N 3.14Å; P5-Q8 PolarHBondContact O-N 2.84Å; F6-Q8 VanDerWaalsContact C-N 3.31Å; F6-Q8 PolarHBondContact O-N 3.19Å; Q8-L11 PolarHBondContact O-N 3.5Å; Q8-S12 WeakPolarHBondContact O-CB 3.16Å; Q8-S12 PolarHBondContact O-N 3.43Å; Q8-S12 PolarHBondContact O-OG 3.23Å |
| 9 | N | 91.2 | Very high | 87.7 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 25% | 0.251 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.9 | -72.7 | -8.6 | 0 | 0 | 0 | 111.2 | P5 F6 S12 N13 L32 N34 | P5-N9 PolarHBondContact O-N 3.5Å; P5-N9 VanDerWaalsContact O-N 3.08Å; F6-N9 WeakPolarHBondContact O-CB 3.33Å; F6-N9 PolarHBondContact O-N 2.65Å; N9-S12 PolarHBondContact O-N 3.29Å; N9-N13 PolarHBondContact O-N 3.33Å; N9-L32 HydrophobicContact CB-CD2 4.06Å; N9-L32 PolarHBondContact ND2-O 2.99Å; N9-N34 PolarHBondContact ND2-O 3.39Å; N9-N34 VanDerWaalsContact ND2-O 3.11Å |
| 10 | V | 91.1 | Very high | 87.8 | Confident | 14 Ų | 14 | 88.1 Ų | 88.1 | 9% | 0.085 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | F6 L7 S12 N13 F16 F25 L32 | F6-V10 HydrophobicContact CD1-CG2 4.34Å; F6-V10 HydrophobicContact CE1-CG2 3.9Å; F6-V10 HydrophobicContact CE2-CG2 4.22Å; F6-V10 HydrophobicContact CZ-CG2 3.83Å; F6-V10 WeakPolarHBondContact O-CG2 3.3Å; F6-V10 PolarHBondContact O-N 2.69Å; L7-V10 PolarHBondContact O-N 2.95Å; V10-S12 PolarHBondContact O-N 3Å; V10-N13 PolarHBondContact O-N 3.11Å; V10-F16 HydrophobicContact CG1-CD1 4.34Å; V10-F16 HydrophobicContact CG1-CD2 3.51Å; V10-F16 HydrophobicContact CG1-CE1 4.45Å; V10-F16 HydrophobicContact CG1-CE2 3.62Å; V10-F16 HydrophobicContact CG1-CG 3.89Å; V10-F16 HydrophobicContact CG1-CZ 4.1Å; V10-F16 WeakPolarHBondContact O-CB 3.39Å; V10-F16 WeakPolarHBondContact O-CG 3.36Å; V10-F25 HydrophobicContact CG1-CE1 4.12Å; V10-F25 HydrophobicContact CG2-CE1 4.49Å; V10-L32 HydrophobicContact CG2-CD1 4.09Å; V10-L32 HydrophobicContact CG2-CD2 4.11Å |
| 11 | L | 91 | Very high | 88 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.7 | -18.6 | -179.4 | -68.6 | 174.2 | 0 | 0 | 0 | 113.6 | L7 Q8 F16 L17 | L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.19Å; L7-L11 PolarHBondContact O-N 3.29Å; Q8-L11 PolarHBondContact O-N 3.5Å; L11-F16 HydrophobicContact CD2-CD1 4.27Å; L11-F16 HydrophobicContact CD2-CE1 3.61Å; L11-F16 HydrophobicContact CD2-CZ 4.3Å; L11-L17 WeakPolarHBondContact O-CD2 3.32Å |
| 12 | S | 89.3 | Confident | 89.6 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 61% | 0.608 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -99 | -8.5 | 178.6 | -51 | 0 | 0 | 0 | 0 | 113 | Q8 N9 V10 | Q8-S12 WeakPolarHBondContact O-CB 3.16Å; Q8-S12 PolarHBondContact O-N 3.43Å; Q8-S12 PolarHBondContact O-OG 3.23Å; N9-S12 PolarHBondContact O-N 3.29Å; V10-S12 PolarHBondContact O-N 3Å |
| 13 | N | 92.6 | Very high | 90.1 | Very high | 20 Ų | 20 | 81.7 Ų | 81.7 | 11% | 0.107 | 45% | 0.446 | C | S | . | . | trans | -74.2 | 133.6 | -179.3 | -179.3 | -65.2 | 0 | 0 | 0 | 110.2 | N9 V10 Q15 F16 L17 F25 N29 E31 L32 | N9-N13 PolarHBondContact O-N 3.33Å; V10-N13 PolarHBondContact O-N 3.11Å; N13-Q15 VanDerWaalsContact C-N 3.31Å; N13-Q15 PolarHBondContact O-N 3.36Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.36Å; N13-Q15 PolarHBondContact OD1-N 2.91Å; N13-F16 HydrophobicContact CB-CB 4.38Å; N13-F16 WeakPolarHBondContact O-CB 3.11Å; N13-F16 PolarHBondContact O-N 2.87Å; N13-F16 VanDerWaalsContact O-N 3.15Å; N13-L17 WeakPolarHBondContact O-CG 3.36Å; N13-L17 PolarHBondContact O-N 3.46Å; N13-F25 HydrophobicContact CB-CE2 4.47Å; N13-F25 HydrophobicContact CB-CZ 4.06Å; N13-F25 WeakPolarHBondContact OD1-CE2 3.35Å; N13-N29 PolarHBondContact ND2-OD1 3.07Å; N13-N29 VanDerWaalsContact ND2-OD1 3.17Å; N13-E31 PolarHBondContact ND2-OE1 2.94Å; N13-L32 HydrophobicContact CB-CD2 4.04Å | ||
| 14 | N | 91.5 | Very high | 90.2 | Very high | 116 Ų | 116 | 81.8 Ų | 81.8 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.9 | -37.2 | -176.7 | -84.6 | -32.7 | 0 | 0 | 0 | 113.4 | F16 L17 H18 | N14-F16 VanDerWaalsContact C-N 3.33Å; N14-L17 PolarHBondContact O-N 3.25Å; N14-H18 PolarHBondContact O-N 3.15Å; N14-H18 VanDerWaalsContact O-N 3.13Å; N14-H18 PolarHBondContact O-ND1 3.11Å |
| 15 | Q | 90.8 | Very high | 90.6 | Very high | 71 Ų | 71 | 78.1 Ų | 78.1 | 33% | 0.332 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178.1 | -61.6 | -178.1 | 0 | 0 | 0 | 110.5 | N13 H18 S19 T20 V21 F25 N29 | N13-Q15 VanDerWaalsContact C-N 3.31Å; N13-Q15 PolarHBondContact O-N 3.36Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.36Å; N13-Q15 PolarHBondContact OD1-N 2.91Å; Q15-H18 PolarHBondContact O-N 2.99Å; Q15-S19 PolarHBondContact O-N 3.32Å; Q15-T20 WeakPolarHBondContact CA-OG1 3.46Å; Q15-T20 PolarHBondContact O-N 3.07Å; Q15-T20 PolarHBondContact O-OG1 3Å; Q15-V21 HydrophobicContact CB-CG1 3.99Å; Q15-F25 HydrophobicContact CB-CD2 4.21Å; Q15-F25 HydrophobicContact CB-CE2 3.9Å; Q15-N29 PolarHBondContact OE1-ND2 2.9Å; Q15-N29 VanDerWaalsContact OE1-ND2 3.1Å |
| 16 | F | 92.4 | Very high | 90.9 | Very high | 81 Ų | 81 | 80.3 Ų | 80.3 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.7 | -165.6 | -89.3 | 0 | 0 | 0 | 112.1 | V10 L11 N13 N14 H18 S19 V21 F25 | V10-F16 HydrophobicContact CG1-CD1 4.34Å; V10-F16 HydrophobicContact CG1-CD2 3.51Å; V10-F16 HydrophobicContact CG1-CE1 4.45Å; V10-F16 HydrophobicContact CG1-CE2 3.62Å; V10-F16 HydrophobicContact CG1-CG 3.89Å; V10-F16 HydrophobicContact CG1-CZ 4.1Å; V10-F16 WeakPolarHBondContact O-CB 3.39Å; V10-F16 WeakPolarHBondContact O-CG 3.36Å; L11-F16 HydrophobicContact CD2-CD1 4.27Å; L11-F16 HydrophobicContact CD2-CE1 3.61Å; L11-F16 HydrophobicContact CD2-CZ 4.3Å; N13-F16 HydrophobicContact CB-CB 4.38Å; N13-F16 WeakPolarHBondContact O-CB 3.11Å; N13-F16 PolarHBondContact O-N 2.87Å; N13-F16 VanDerWaalsContact O-N 3.15Å; N14-F16 VanDerWaalsContact C-N 3.33Å; F16-H18 VanDerWaalsContact C-N 3.29Å; F16-H18 PolarHBondContact O-N 3.24Å; F16-S19 PolarHBondContact O-N 2.89Å; F16-V21 HydrophobicContact CB-CG1 4.22Å; F16-V21 HydrophobicContact CD2-CG1 4.32Å; F16-F25 HydrophobicContact CB-CE1 4.47Å; F16-F25 HydrophobicContact CB-CZ 4.02Å; F16-F25 HydrophobicContact CD2-CE1 4.06Å; F16-F25 HydrophobicContact CD2-CZ 4.45Å |
| 17 | L | 91.4 | Very high | 90.8 | Very high | 103 Ų | 103 | 85 Ų | 85 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 178.3 | -73.1 | 172 | 0 | 0 | 0 | 113.3 | L11 N13 N14 S19 | L11-L17 WeakPolarHBondContact O-CD2 3.32Å; N13-L17 WeakPolarHBondContact O-CG 3.36Å; N13-L17 PolarHBondContact O-N 3.46Å; N14-L17 PolarHBondContact O-N 3.25Å; L17-S19 VanDerWaalsContact C-N 3.35Å |
| 18 | H | 93 | Very high | 90.9 | Very high | 134 Ų | 134 | 86.6 Ų | 86.6 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8 | -179.6 | -63.9 | 85.8 | 0 | 0 | 0 | 113.2 | N14 Q15 F16 T20 | N14-H18 PolarHBondContact O-N 3.15Å; N14-H18 VanDerWaalsContact O-N 3.13Å; N14-H18 PolarHBondContact O-ND1 3.11Å; Q15-H18 PolarHBondContact O-N 2.99Å; F16-H18 VanDerWaalsContact C-N 3.29Å; F16-H18 PolarHBondContact O-N 3.24Å; H18-T20 HydrophobicContact CB-CG2 4.21Å; H18-T20 PolarHBondContact O-N 3.25Å |
| 19 | S | 88.7 | Confident | 90.9 | Very high | 104 Ų | 104 | 82 Ų | 82 | 73% | 0.727 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26.4 | -177.4 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | Q15 F16 L17 V21 | Q15-S19 PolarHBondContact O-N 3.32Å; F16-S19 PolarHBondContact O-N 2.89Å; L17-S19 VanDerWaalsContact C-N 3.35Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.18Å |
| 20 | T | 90.3 | Very high | 90.8 | Very high | 94 Ų | 94 | 84.1 Ų | 84.1 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | trans | -96.3 | 52.1 | 176.1 | 62.8 | 0 | 0 | 0 | 0 | 110 | Q15 H18 | Q15-T20 WeakPolarHBondContact CA-OG1 3.46Å; Q15-T20 PolarHBondContact O-N 3.07Å; Q15-T20 PolarHBondContact O-OG1 3Å; H18-T20 HydrophobicContact CB-CG2 4.21Å; H18-T20 PolarHBondContact O-N 3.25Å | ||
| 21 | V | 90.8 | Very high | 90.6 | Very high | 58 Ų | 58 | 88 Ų | 88 | 35% | 0.352 | 48% | 0.478 | S | S | . | . | trans | -120.6 | 144.8 | -177.7 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | Q15 F16 S19 F25 | Q15-V21 HydrophobicContact CB-CG1 3.99Å; F16-V21 HydrophobicContact CB-CG1 4.22Å; F16-V21 HydrophobicContact CD2-CG1 4.32Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.18Å; V21-F25 HydrophobicContact CB-CB 3.96Å; V21-F25 HydrophobicContact CB-CD1 4.35Å; V21-F25 HydrophobicContact CB-CD2 4.15Å; V21-F25 HydrophobicContact CB-CG 3.88Å; V21-F25 HydrophobicContact CG1-CB 4.25Å; V21-F25 HydrophobicContact CG1-CD1 4.07Å; V21-F25 HydrophobicContact CG1-CD2 3.49Å; V21-F25 VanDerWaalsContact CG1-CD2 3.49Å; V21-F25 HydrophobicContact CG1-CE1 4.33Å; V21-F25 HydrophobicContact CG1-CE2 3.8Å; V21-F25 HydrophobicContact CG1-CG 3.64Å; V21-F25 HydrophobicContact CG1-CZ 4.21Å | ||
| 22 | D | 91.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 83.2 Ų | 83.2 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | trans | -126.6 | -167.6 | 172 | 68.3 | 20.9 | 0 | 0 | 0 | 110.9 | Q24 F25 | D22-Q24 PolarHBondContact O-N 3.22Å; D22-Q24 WeakPolarHBondContact OD1-CA 3.48Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.4Å; D22-Q24 PolarHBondContact OD1-N 3.44Å; D22-F25 VanDerWaalsContact O-CB 3.29Å; D22-F25 WeakPolarHBondContact O-CB 3.48Å; D22-F25 PolarHBondContact O-N 3.38Å; D22-F25 PolarHBondContact OD1-N 3.06Å | ||
| 23 | T | 89.5 | Confident | 90.4 | Very high | 141 Ų | 141 | 84.9 Ų | 84.9 | 87% | 0.865 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.9 | -179.3 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 24 | Q | 91 | Very high | 90 | Very high | 107 Ų | 107 | 89.3 Ų | 89.3 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9 | 178.7 | -58.4 | -169.7 | 10.4 | 0 | 0 | 112.8 | D22 I26 D27 E28 | D22-Q24 PolarHBondContact O-N 3.22Å; D22-Q24 WeakPolarHBondContact OD1-CA 3.48Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.4Å; D22-Q24 PolarHBondContact OD1-N 3.44Å; Q24-I26 VanDerWaalsContact C-N 3.28Å; Q24-I26 PolarHBondContact O-N 2.97Å; Q24-D27 WeakPolarHBondContact O-CA 3.26Å; Q24-D27 PolarHBondContact O-N 3.24Å; Q24-E28 HydrophobicContact CB-CG 4.12Å; Q24-E28 PolarHBondContact O-N 2.84Å |
| 25 | F | 92.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 87.5 Ų | 87.5 | 5% | 0.053 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -42.4 | -47.7 | -178.7 | 167.7 | -112.2 | 0 | 0 | 0 | 114.6 | V10 N13 Q15 F16 V21 D22 N29 L32 | V10-F25 HydrophobicContact CG1-CE1 4.12Å; V10-F25 HydrophobicContact CG2-CE1 4.49Å; N13-F25 HydrophobicContact CB-CE2 4.47Å; N13-F25 HydrophobicContact CB-CZ 4.06Å; N13-F25 WeakPolarHBondContact OD1-CE2 3.35Å; Q15-F25 HydrophobicContact CB-CD2 4.21Å; Q15-F25 HydrophobicContact CB-CE2 3.9Å; F16-F25 HydrophobicContact CB-CE1 4.47Å; F16-F25 HydrophobicContact CB-CZ 4.02Å; F16-F25 HydrophobicContact CD2-CE1 4.06Å; F16-F25 HydrophobicContact CD2-CZ 4.45Å; V21-F25 HydrophobicContact CB-CB 3.96Å; V21-F25 HydrophobicContact CB-CD1 4.35Å; V21-F25 HydrophobicContact CB-CD2 4.15Å; V21-F25 HydrophobicContact CB-CG 3.88Å; V21-F25 HydrophobicContact CG1-CB 4.25Å; V21-F25 HydrophobicContact CG1-CD1 4.07Å; V21-F25 HydrophobicContact CG1-CD2 3.49Å; V21-F25 VanDerWaalsContact CG1-CD2 3.49Å; V21-F25 HydrophobicContact CG1-CE1 4.33Å; V21-F25 HydrophobicContact CG1-CE2 3.8Å; V21-F25 HydrophobicContact CG1-CG 3.64Å; V21-F25 HydrophobicContact CG1-CZ 4.21Å; D22-F25 VanDerWaalsContact O-CB 3.29Å; D22-F25 WeakPolarHBondContact O-CB 3.48Å; D22-F25 PolarHBondContact O-N 3.38Å; D22-F25 PolarHBondContact OD1-N 3.06Å; F25-N29 VanDerWaalsContact CD2-ND2 3.27Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.49Å; F25-N29 HydrophobicContact CE2-CB 4.42Å; F25-N29 WeakPolarHBondContact O-CB 3.37Å; F25-N29 PolarHBondContact O-N 3.33Å; F25-N29 PolarHBondContact O-ND2 3.13Å; F25-L32 HydrophobicContact CE1-CD1 3.88Å; F25-L32 HydrophobicContact CZ-CD1 3.89Å; F25-L32 HydrophobicContact CZ-CD2 4.46Å |
| 26 | I | 90.8 | Very high | 88.4 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -178.3 | -65.4 | 171.4 | 0 | 0 | 0 | 111.5 | F6 Q24 L32 F33 | F6-I26 HydrophobicContact CE2-CG2 4.35Å; F6-I26 HydrophobicContact CZ-CD1 4.07Å; F6-I26 HydrophobicContact CZ-CG1 4.28Å; F6-I26 HydrophobicContact CZ-CG2 4.05Å; Q24-I26 VanDerWaalsContact C-N 3.28Å; Q24-I26 PolarHBondContact O-N 2.97Å; I26-L32 HydrophobicContact CG1-CD1 4.49Å; I26-F33 HydrophobicContact CG2-CE2 3.88Å; I26-F33 HydrophobicContact CG2-CZ 3.72Å |
| 27 | D | 89.7 | Confident | 87.1 | Confident | 138 Ų | 138 | 94 Ų | 94 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -74.2 | -31.2 | -178.4 | -65.2 | -26.2 | 0 | 0 | 0 | 111.6 | Q24 | Q24-D27 WeakPolarHBondContact O-CA 3.26Å; Q24-D27 PolarHBondContact O-N 3.24Å |
| 28 | E | 90.9 | Very high | 85.9 | Confident | 111 Ų | 111 | 94.6 Ų | 94.6 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.5 | -14.4 | 179.2 | -66.6 | -175.9 | 157.3 | 0 | 0 | 114 | Q24 P30 | Q24-E28 HydrophobicContact CB-CG 4.12Å; Q24-E28 PolarHBondContact O-N 2.84Å; E28-P30 VanDerWaalsContact C-CD 3.41Å; E28-P30 WeakPolarHBondContact O-CD 3.29Å |
| 29 | N | 88.6 | Confident | 84.7 | Confident | 11 Ų | 11 | 95.3 Ų | 95.3 | 6% | 0.059 | 51% | 0.514 | C | S | . | . | trans | -118.2 | 68.9 | -177.4 | -68.5 | -98.8 | 0 | 0 | 0 | 110.7 | N13 Q15 F25 E31 L32 | N13-N29 PolarHBondContact ND2-OD1 3.07Å; N13-N29 VanDerWaalsContact ND2-OD1 3.17Å; Q15-N29 PolarHBondContact OE1-ND2 2.9Å; Q15-N29 VanDerWaalsContact OE1-ND2 3.1Å; F25-N29 VanDerWaalsContact CD2-ND2 3.27Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.49Å; F25-N29 HydrophobicContact CE2-CB 4.42Å; F25-N29 WeakPolarHBondContact O-CB 3.37Å; F25-N29 PolarHBondContact O-N 3.33Å; F25-N29 PolarHBondContact O-ND2 3.13Å; N29-E31 VanDerWaalsContact CA-OE2 3.23Å; N29-E31 WeakPolarHBondContact CA-OE2 3.41Å; N29-E31 VanDerWaalsContact CB-OE1 3.3Å; N29-E31 WeakPolarHBondContact CB-OE1 3.48Å; N29-E31 PolarHBondContact O-N 3.41Å; N29-E31 VanDerWaalsContact O-N 3.1Å; N29-E31 PolarHBondContact OD1-OE1 3.39Å; N29-E31 VanDerWaalsContact OD1-OE1 3.09Å; N29-L32 HydrophobicContact CB-CD1 3.78Å; N29-L32 HydrophobicContact CB-CG 3.87Å; N29-L32 WeakPolarHBondContact O-CB 3.32Å; N29-L32 VanDerWaalsContact O-CG 3.23Å; N29-L32 WeakPolarHBondContact O-CG 3.49Å; N29-L32 PolarHBondContact O-N 3.1Å | ||
| 30 | P | 89.6 | Confident | 84.2 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -61.4 | -20.9 | -176.5 | 25.8 | -34.9 | 0 | 0 | 0 | 113.5 | E28 L32 F33 | E28-P30 VanDerWaalsContact C-CD 3.41Å; E28-P30 WeakPolarHBondContact O-CD 3.29Å; P30-L32 PolarHBondContact O-N 2.97Å; P30-F33 PolarHBondContact O-N 3.03Å; P30-F33 VanDerWaalsContact O-N 3.14Å |
| 31 | E | 87 | Confident | 84 | Confident | 95 Ų | 95 | 93.3 Ų | 93.3 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -64.1 | -19.3 | 174.9 | 75.6 | -73.3 | 174.5 | 0 | 0 | 113.6 | N13 N29 F33 N34 | N13-E31 PolarHBondContact ND2-OE1 2.94Å; N29-E31 VanDerWaalsContact CA-OE2 3.23Å; N29-E31 WeakPolarHBondContact CA-OE2 3.41Å; N29-E31 VanDerWaalsContact CB-OE1 3.3Å; N29-E31 WeakPolarHBondContact CB-OE1 3.48Å; N29-E31 PolarHBondContact O-N 3.41Å; N29-E31 VanDerWaalsContact O-N 3.1Å; N29-E31 PolarHBondContact OD1-OE1 3.39Å; N29-E31 VanDerWaalsContact OD1-OE1 3.09Å; E31-F33 PolarHBondContact O-N 3.32Å; E31-F33 VanDerWaalsContact O-N 3.16Å; E31-N34 VanDerWaalsContact O-CB 3.26Å; E31-N34 WeakPolarHBondContact O-CB 3.4Å; E31-N34 PolarHBondContact O-N 3.36Å |
| 32 | L | 88.1 | Confident | 83.8 | Confident | 3 Ų | 3 | 91.5 Ų | 91.5 | 2% | 0.016 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -58.9 | -26.1 | 172.4 | -64.1 | 175.6 | 0 | 0 | 0 | 112.2 | F6 N9 V10 N13 F25 I26 N29 P30 N34 L35 | F6-L32 HydrophobicContact CD2-CB 4.3Å; F6-L32 HydrophobicContact CE2-CB 3.91Å; N9-L32 HydrophobicContact CB-CD2 4.06Å; N9-L32 PolarHBondContact ND2-O 2.99Å; V10-L32 HydrophobicContact CG2-CD1 4.09Å; V10-L32 HydrophobicContact CG2-CD2 4.11Å; N13-L32 HydrophobicContact CB-CD2 4.04Å; F25-L32 HydrophobicContact CE1-CD1 3.88Å; F25-L32 HydrophobicContact CZ-CD1 3.89Å; F25-L32 HydrophobicContact CZ-CD2 4.46Å; I26-L32 HydrophobicContact CG1-CD1 4.49Å; N29-L32 HydrophobicContact CB-CD1 3.78Å; N29-L32 HydrophobicContact CB-CG 3.87Å; N29-L32 WeakPolarHBondContact O-CB 3.32Å; N29-L32 VanDerWaalsContact O-CG 3.23Å; N29-L32 WeakPolarHBondContact O-CG 3.49Å; N29-L32 PolarHBondContact O-N 3.1Å; P30-L32 PolarHBondContact O-N 2.97Å; L32-N34 VanDerWaalsContact C-N 3.34Å; L32-L35 WeakPolarHBondContact O-CD2 3.34Å |
| 33 | F | 88 | Confident | 83.8 | Confident | 122 Ų | 122 | 89.4 Ų | 89.4 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -88.5 | 1.5 | 177.3 | -60.7 | -84.1 | 0 | 0 | 0 | 113.7 | F6 I26 P30 E31 L35 | F6-F33 HydrophobicContact CD2-CD1 4.29Å; F6-F33 HydrophobicContact CD2-CE1 4.16Å; F6-F33 HydrophobicContact CE2-CD1 4.33Å; F6-F33 AromaticContact CE2-CE1 3.86Å; F6-F33 HydrophobicContact CE2-CE1 3.86Å; F6-F33 HydrophobicContact CE2-CE2 4.32Å; F6-F33 AromaticContact CE2-CZ 3.86Å; F6-F33 HydrophobicContact CE2-CZ 3.86Å; I26-F33 HydrophobicContact CG2-CE2 3.88Å; I26-F33 HydrophobicContact CG2-CZ 3.72Å; P30-F33 PolarHBondContact O-N 3.03Å; P30-F33 VanDerWaalsContact O-N 3.14Å; E31-F33 PolarHBondContact O-N 3.32Å; E31-F33 VanDerWaalsContact O-N 3.16Å; F33-L35 PolarHBondContact O-N 3.38Å |
| 34 | N | 83.3 | Confident | 83.9 | Confident | 114 Ų | 114 | 86 Ų | 86 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | trans | -75.3 | 75.5 | 167.4 | -168.2 | 3.3 | 0 | 0 | 0 | 109.7 | N9 E31 L32 K36 | N9-N34 PolarHBondContact ND2-O 3.39Å; N9-N34 VanDerWaalsContact ND2-O 3.11Å; E31-N34 VanDerWaalsContact O-CB 3.26Å; E31-N34 WeakPolarHBondContact O-CB 3.4Å; E31-N34 PolarHBondContact O-N 3.36Å; L32-N34 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 3.13Å | ||
| 35 | L | 81.3 | Confident | 84.1 | Confident | 77 Ų | 77 | 80.9 Ų | 80.9 | 40% | 0.403 | 42% | 0.415 | S | S | . | . | trans | -81.1 | 105.5 | -175.7 | -53.2 | -173.8 | 0 | 0 | 0 | 109.9 | P5 F6 L32 F33 P37 | P5-L35 HydrophobicContact CB-CB 4.33Å; P5-L35 HydrophobicContact CB-CD2 4.18Å; F6-L35 HydrophobicContact CB-CD2 3.89Å; L32-L35 WeakPolarHBondContact O-CD2 3.34Å; F33-L35 PolarHBondContact O-N 3.38Å; L35-P37 WeakPolarHBondContact O-CD 3.14Å | ||
| 36 | K | 68.1 | Low | 84.2 | Confident | 168 Ų | 168 | 80.3 Ų | 80.3 | 73% | 0.73 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 123.6 | 172.2 | -69 | -172.1 | 178.5 | -176.9 | 0 | 109.9 | N34 T38 | N34-K36 PolarHBondContact O-N 3.13Å; K36-T38 PolarHBondContact O-N 3.36Å |
| 37 | P | 66.1 | Low | 84.4 | Confident | 122 Ų | 122 | 79.8 Ų | 79.8 | 79% | 0.792 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 130.3 | 175.5 | -20.1 | 31.2 | 0 | 0 | 0 | 110.4 | L35 Q39 | L35-P37 WeakPolarHBondContact O-CD 3.14Å; P37-Q39 PolarHBondContact O-N 2.78Å |
| 38 | T | 65.9 | Low | 84.8 | Confident | 114 Ų | 114 | 73.2 Ų | 73.2 | 70% | 0.699 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -67 | 128 | 172.4 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | K36 N40 | K36-T38 PolarHBondContact O-N 3.36Å; T38-N40 PolarHBondContact O-N 3.31Å; T38-N40 VanDerWaalsContact O-N 3.07Å |
| 39 | Q | 67.3 | Low | 85 | Confident | 150 Ų | 150 | 68 Ų | 68 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | trans | -68.2 | 106.8 | 177.8 | -67.9 | -170.1 | -1 | 0 | 0 | 111.1 | P37 R41 | P37-Q39 PolarHBondContact O-N 2.78Å; Q39-R41 VanDerWaalsContact C-N 3.3Å; Q39-R41 HydrophobicContact CB-CG 4.47Å; Q39-R41 PolarHBondContact O-N 3.32Å | ||
| 40 | N | 79.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -92.3 | 50.6 | -179 | -159.5 | -2.5 | 0 | 0 | 0 | 113 | T38 A42 Q43 K44 | T38-N40 PolarHBondContact O-N 3.31Å; T38-N40 VanDerWaalsContact O-N 3.07Å; N40-A42 VanDerWaalsContact C-N 3.35Å; N40-A42 PolarHBondContact O-N 3.49Å; N40-Q43 VanDerWaalsContact ND2-CB 3.32Å; N40-Q43 WeakPolarHBondContact ND2-CB 3.48Å; N40-Q43 PolarHBondContact O-N 3.32Å; N40-Q43 WeakPolarHBondContact OD1-CB 3.06Å; N40-Q43 PolarHBondContact OD1-N 2.92Å; N40-K44 WeakPolarHBondContact O-CG 3.18Å; N40-K44 PolarHBondContact O-N 3.29Å; N40-K44 VanDerWaalsContact O-N 3.16Å | ||
| 41 | R | 84.8 | Confident | 85.7 | Confident | 65 Ų | 65 | 65 Ų | 65 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | -174.6 | -70.3 | -175.9 | -73.1 | 175.8 | -0.7 | 112.5 | Q39 K44 L45 L597 E598 | Q39-R41 VanDerWaalsContact C-N 3.3Å; Q39-R41 HydrophobicContact CB-CG 4.47Å; Q39-R41 PolarHBondContact O-N 3.32Å; R41-K44 PolarHBondContact O-N 2.99Å; R41-L45 PolarHBondContact O-N 3.26Å; R41-L597 HydrophobicContact CB-CD1 4.25Å; R41-E598 IonicContact CZ-OE1 2.99Å; R41-E598 IonicContact NH1-OE1 3.8Å; R41-E598 IonicContact NH1-OE2 3.77Å; R41-E598 PolarHBondContact NH1-OE2 2.79Å; R41-E598 IonicContact NH2-OE1 3.16Å; R41-E598 PolarHBondContact NH2-OE1 3.46Å; R41-E598 IonicContact NH2-OE2 3.75Å |
| 42 | A | 87.9 | Confident | 86.1 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N40 K44 L45 L46 L603 L625 | N40-A42 VanDerWaalsContact C-N 3.35Å; N40-A42 PolarHBondContact O-N 3.49Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 3.12Å; A42-L45 PolarHBondContact O-N 2.89Å; A42-L46 WeakPolarHBondContact O-CG 3.17Å; A42-L46 PolarHBondContact O-N 3.21Å; A42-L603 HydrophobicContact CB-CD1 3.83Å; A42-L603 HydrophobicContact CB-CD2 4.34Å; A42-L625 HydrophobicContact CB-CD2 3.77Å |
| 43 | Q | 89.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.4 | -172 | 71.9 | 13.7 | 0 | 0 | 111.9 | N40 L46 H47 S631 | N40-Q43 VanDerWaalsContact ND2-CB 3.32Å; N40-Q43 WeakPolarHBondContact ND2-CB 3.48Å; N40-Q43 PolarHBondContact O-N 3.32Å; N40-Q43 WeakPolarHBondContact OD1-CB 3.06Å; N40-Q43 PolarHBondContact OD1-N 2.92Å; Q43-L46 PolarHBondContact O-N 3.44Å; Q43-H47 WeakPolarHBondContact O-CB 3.37Å; Q43-H47 PolarHBondContact O-N 3.12Å; Q43-S631 PolarHBondContact NE2-O 3.37Å |
| 44 | K | 93.2 | Very high | 86.7 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 30% | 0.296 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.2 | -72 | -175.6 | -176.2 | -163.7 | 0 | 111.6 | N40 R41 A42 H47 Y48 S570 F572 | N40-K44 WeakPolarHBondContact O-CG 3.18Å; N40-K44 PolarHBondContact O-N 3.29Å; N40-K44 VanDerWaalsContact O-N 3.16Å; R41-K44 PolarHBondContact O-N 2.99Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 3.12Å; K44-H47 WeakPolarHBondContact O-CB 3.33Å; K44-H47 PolarHBondContact O-N 3.01Å; K44-Y48 PolarHBondContact O-N 3.45Å; K44-S570 WeakPolarHBondContact CD-O 2.97Å; K44-S570 WeakPolarHBondContact CE-O 3.32Å; K44-S570 PolarHBondContact NZ-O 3.39Å; K44-F572 CarbonylContact C-O 3.57Å; K44-F572 WeakPolarHBondContact CB-O 3.29Å; K44-F572 VanDerWaalsContact O-O 3.11Å |
| 45 | L | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 173.4 | -76.2 | 178.6 | 0 | 0 | 0 | 112.7 | R41 A42 H47 Y48 L49 F572 P574 L578 V595 L597 L603 | R41-L45 PolarHBondContact O-N 3.26Å; A42-L45 PolarHBondContact O-N 2.89Å; L45-H47 PolarHBondContact O-N 3.37Å; L45-Y48 WeakPolarHBondContact O-CB 3.49Å; L45-Y48 PolarHBondContact O-N 2.97Å; L45-Y48 VanDerWaalsContact O-N 3.12Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.97Å; L45-F572 PolarHBondContact N-O 3.46Å; L45-P574 WeakPolarHBondContact CD2-O 3.47Å; L45-L578 HydrophobicContact CD2-CD1 4.3Å; L45-L578 HydrophobicContact CD2-CD2 4.29Å; L45-L578 HydrophobicContact CD2-CG 4.23Å; L45-V595 HydrophobicContact CD1-CG1 4.15Å; L45-L597 HydrophobicContact CD1-CD2 3.58Å; L45-L603 HydrophobicContact CD1-CD1 4.16Å |
| 46 | L | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -37.1 | 173.9 | -65.4 | -175.8 | 0 | 0 | 0 | 111.4 | A42 Q43 L49 G50 I605 F623 L625 R630 V632 | A42-L46 WeakPolarHBondContact O-CG 3.17Å; A42-L46 PolarHBondContact O-N 3.21Å; Q43-L46 PolarHBondContact O-N 3.44Å; L46-L49 HydrophobicContact CD2-CD1 4.44Å; L46-L49 PolarHBondContact O-N 2.67Å; L46-G50 PolarHBondContact O-N 3.2Å; L46-I605 HydrophobicContact CD2-CD1 4.02Å; L46-I605 HydrophobicContact CD2-CG1 4.22Å; L46-I605 HydrophobicContact CD2-CG2 3.71Å; L46-F623 HydrophobicContact CB-CD2 4.2Å; L46-F623 HydrophobicContact CB-CE2 4.41Å; L46-F623 HydrophobicContact CD1-CB 4.24Å; L46-F623 HydrophobicContact CD2-CB 3.95Å; L46-F623 HydrophobicContact CD2-CD1 4.02Å; L46-F623 HydrophobicContact CD2-CD2 4.11Å; L46-F623 HydrophobicContact CD2-CG 3.77Å; L46-L625 HydrophobicContact CD1-CB 4.36Å; L46-L625 HydrophobicContact CD1-CD2 4.23Å; L46-R630 HydrophobicContact CD1-CB 3.69Å; L46-R630 HydrophobicContact CD1-CG 4.03Å; L46-V632 HydrophobicContact CB-CG1 3.98Å |
| 47 | H | 95.4 | Very high | 88.7 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.6 | -176.7 | -150.2 | 0 | 0 | 0 | 111.8 | Q43 K44 L45 H51 N571 F572 V632 | Q43-H47 WeakPolarHBondContact O-CB 3.37Å; Q43-H47 PolarHBondContact O-N 3.12Å; K44-H47 WeakPolarHBondContact O-CB 3.33Å; K44-H47 PolarHBondContact O-N 3.01Å; L45-H47 PolarHBondContact O-N 3.37Å; H47-H51 WeakPolarHBondContact O-CB 3.45Å; H47-H51 PolarHBondContact O-N 2.91Å; H47-N571 PolarHBondContact ND1-O 3.25Å; H47-F572 AromaticContact CE1-CE1 3.88Å; H47-F572 AromaticContact ND1-CD1 3.95Å; H47-F572 AromaticContact ND1-CE1 3.8Å; H47-V632 HydrophobicContact CB-CG1 4.42Å |
| 48 | Y | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -50.7 | 173.6 | -179.3 | -100.7 | 0 | 0 | 0 | 112 | K44 L45 G50 H51 V52 T58 F568 F572 V575 L578 F583 | K44-Y48 PolarHBondContact O-N 3.45Å; L45-Y48 WeakPolarHBondContact O-CB 3.49Å; L45-Y48 PolarHBondContact O-N 2.97Å; L45-Y48 VanDerWaalsContact O-N 3.12Å; Y48-G50 VanDerWaalsContact C-N 3.29Å; Y48-G50 PolarHBondContact O-N 2.83Å; Y48-H51 WeakPolarHBondContact O-CA 3.29Å; Y48-H51 VanDerWaalsContact O-CB 3.29Å; Y48-H51 WeakPolarHBondContact O-CB 3.49Å; Y48-H51 PolarHBondContact O-N 3.27Å; Y48-V52 HydrophobicContact CD1-CG2 4.2Å; Y48-V52 HydrophobicContact CE1-CG2 3.66Å; Y48-V52 HydrophobicContact CE2-CG2 4.05Å; Y48-V52 WeakPolarHBondContact O-CG2 3.12Å; Y48-V52 PolarHBondContact O-N 3.37Å; Y48-T58 HydrophobicContact CE2-CG2 4.12Å; Y48-F568 HydrophobicContact CD2-CE2 4.49Å; Y48-F568 AromaticContact CD2-CZ 3.81Å; Y48-F568 HydrophobicContact CD2-CZ 3.81Å; Y48-F568 HydrophobicContact CE2-CE2 4.25Å; Y48-F568 AromaticContact CE2-CZ 3.64Å; Y48-F568 HydrophobicContact CE2-CZ 3.64Å; Y48-F572 VanDerWaalsContact CA-CD1 3.44Å; Y48-F572 HydrophobicContact CD2-CB 4.07Å; Y48-F572 AromaticContact CD2-CD1 3.99Å; Y48-F572 HydrophobicContact CD2-CD1 3.99Å; Y48-F572 HydrophobicContact CD2-CD2 4.28Å; Y48-F572 HydrophobicContact CD2-CE1 4.49Å; Y48-F572 AromaticContact CD2-CG 3.86Å; Y48-F572 HydrophobicContact CD2-CG 3.86Å; Y48-F572 HydrophobicContact CG-CB 4.41Å; Y48-F572 HydrophobicContact CG-CD1 4.34Å; Y48-F572 HydrophobicContact CG-CG 4.45Å; Y48-V575 HydrophobicContact CD1-CG1 3.89Å; Y48-V575 HydrophobicContact CD2-CG1 3.87Å; Y48-V575 HydrophobicContact CE1-CG1 4.25Å; Y48-V575 HydrophobicContact CE2-CG1 4.22Å; Y48-V575 HydrophobicContact CG-CG1 3.69Å; Y48-L578 HydrophobicContact CD1-CD1 3.5Å; Y48-L578 HydrophobicContact CE1-CD1 3.73Å; Y48-F583 AromaticContact CE1-CD2 3.92Å; Y48-F583 HydrophobicContact CE1-CD2 3.92Å; Y48-F583 HydrophobicContact CE1-CE2 4.45Å; Y48-F583 AromaticContact CZ-CD2 3.75Å; Y48-F583 AromaticContact CZ-CE2 3.84Å; Y48-F583 VanDerWaalsContact OH-CD2 3.24Å; Y48-F583 WeakPolarHBondContact OH-CD2 3.48Å; Y48-F583 VanDerWaalsContact OH-CE2 3.22Å; Y48-F583 WeakPolarHBondContact OH-CE2 3.35Å; Y48-F583 PolarHBondContact OH-O 3.41Å |
| 49 | L | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 178.7 | -67.3 | 162.3 | 0 | 0 | 0 | 111 | L45 L46 H51 V52 M53 L578 L582 P587 F593 I605 F623 | L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.97Å; L46-L49 HydrophobicContact CD2-CD1 4.44Å; L46-L49 PolarHBondContact O-N 2.67Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 2.71Å; L49-V52 PolarHBondContact O-N 3.08Å; L49-M53 VanDerWaalsContact O-CG 3.27Å; L49-M53 WeakPolarHBondContact O-CG 3.34Å; L49-M53 PolarHBondContact O-N 3.42Å; L49-L578 HydrophobicContact CD2-CD1 4.23Å; L49-L578 HydrophobicContact CD2-CD2 4.34Å; L49-L582 HydrophobicContact CD2-CB 4.39Å; L49-P587 HydrophobicContact CB-CG 4.45Å; L49-P587 HydrophobicContact CD2-CG 4.35Å; L49-F593 HydrophobicContact CD1-CE2 4.05Å; L49-F593 HydrophobicContact CD1-CZ 3.77Å; L49-F593 HydrophobicContact CD2-CZ 4.35Å; L49-I605 HydrophobicContact CD1-CD1 4.29Å; L49-F623 HydrophobicContact CB-CE1 4.2Å; L49-F623 HydrophobicContact CB-CZ 3.95Å |
| 50 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L46 Y48 M53 V54 | L46-G50 PolarHBondContact O-N 3.2Å; Y48-G50 VanDerWaalsContact C-N 3.29Å; Y48-G50 PolarHBondContact O-N 2.83Å; G50-M53 PolarHBondContact O-N 2.81Å; G50-V54 WeakPolarHBondContact O-CG2 3.41Å; G50-V54 PolarHBondContact O-N 3.42Å; G50-V54 VanDerWaalsContact O-N 3.13Å |
| 51 | H | 95.7 | Very high | 92.1 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 18% | 0.181 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 173.4 | -175.5 | 92.7 | 0 | 0 | 0 | 111.5 | H47 Y48 L49 M53 V54 N55 F572 V634 | H47-H51 WeakPolarHBondContact O-CB 3.45Å; H47-H51 PolarHBondContact O-N 2.91Å; Y48-H51 WeakPolarHBondContact O-CA 3.29Å; Y48-H51 VanDerWaalsContact O-CB 3.29Å; Y48-H51 WeakPolarHBondContact O-CB 3.49Å; Y48-H51 PolarHBondContact O-N 3.27Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 2.71Å; H51-M53 PolarHBondContact O-N 2.85Å; H51-V54 PolarHBondContact O-N 2.9Å; H51-N55 PolarHBondContact CE1-ND2 3.33Å; H51-N55 VanDerWaalsContact CE1-ND2 3.33Å; H51-N55 PolarHBondContact ND1-ND2 3.26Å; H51-N55 WeakPolarHBondContact O-CB 3.5Å; H51-N55 PolarHBondContact O-N 3.4Å; H51-F572 HydrophobicContact CB-CE1 3.89Å; H51-F572 HydrophobicContact CB-CZ 4.12Å; H51-F572 AromaticContact CG-CZ 3.97Å; H51-F572 AromaticContact ND1-CZ 3.98Å; H51-V634 HydrophobicContact CB-CG1 4.42Å |
| 52 | V | 95.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | Y48 L49 V54 G56 | Y48-V52 HydrophobicContact CD1-CG2 4.2Å; Y48-V52 HydrophobicContact CE1-CG2 3.66Å; Y48-V52 HydrophobicContact CE2-CG2 4.05Å; Y48-V52 WeakPolarHBondContact O-CG2 3.12Å; Y48-V52 PolarHBondContact O-N 3.37Å; L49-V52 PolarHBondContact O-N 3.08Å; V52-V54 VanDerWaalsContact C-N 3.27Å; V52-V54 PolarHBondContact O-N 3.34Å; V52-G56 WeakPolarHBondContact CA-O 3.43Å; V52-G56 WeakPolarHBondContact O-CA 3.3Å; V52-G56 PolarHBondContact O-N 2.97Å |
| 53 | M | 94.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 20% | 0.202 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -33 | 176.1 | -70.1 | 174.2 | 78.7 | 0 | 0 | 113.4 | L49 G50 H51 P587 I589 A607 V621 F623 | L49-M53 VanDerWaalsContact O-CG 3.27Å; L49-M53 WeakPolarHBondContact O-CG 3.34Å; L49-M53 PolarHBondContact O-N 3.42Å; G50-M53 PolarHBondContact O-N 2.81Å; H51-M53 PolarHBondContact O-N 2.85Å; M53-P587 HydrophobicContact CG-CG 4.24Å; M53-P587 HydrophobicContact SD-CG 3.82Å; M53-I589 HydrophobicContact CE-CD1 3.55Å; M53-A607 HydrophobicContact CE-CB 4.09Å; M53-A607 HydrophobicContact SD-CB 4.29Å; M53-V621 HydrophobicContact CE-CG1 4.13Å; M53-V621 HydrophobicContact SD-CG1 3.75Å; M53-F623 HydrophobicContact SD-CE1 4.04Å; M53-F623 HydrophobicContact SD-CZ 3.79Å |
| 54 | V | 94.1 | Very high | 91.3 | Very high | 24 Ų | 24 | 40 Ų | 40 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -90.2 | -44.3 | -177.7 | 173.1 | 0 | 0 | 0 | 0 | 112.7 | G50 H51 V52 L610 R619 V621 V634 D636 | G50-V54 WeakPolarHBondContact O-CG2 3.41Å; G50-V54 PolarHBondContact O-N 3.42Å; G50-V54 VanDerWaalsContact O-N 3.13Å; H51-V54 PolarHBondContact O-N 2.9Å; V52-V54 VanDerWaalsContact C-N 3.27Å; V52-V54 PolarHBondContact O-N 3.34Å; V54-L610 HydrophobicContact CG2-CD1 3.54Å; V54-R619 HydrophobicContact CG2-CB 4.15Å; V54-V621 HydrophobicContact CG2-CG2 4.04Å; V54-V634 HydrophobicContact CB-CG1 3.74Å; V54-V634 HydrophobicContact CG1-CG1 4.06Å; V54-V634 HydrophobicContact CG2-CB 4.06Å; V54-V634 HydrophobicContact CG2-CG1 3.84Å; V54-D636 HydrophobicContact CG1-CB 3.92Å |
| 55 | N | 93.2 | Very high | 91 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -111.2 | -9.4 | -168 | -63.3 | -64.3 | 0 | 0 | 0 | 113.7 | H51 K635 T637 | H51-N55 PolarHBondContact CE1-ND2 3.33Å; H51-N55 VanDerWaalsContact CE1-ND2 3.33Å; H51-N55 PolarHBondContact ND1-ND2 3.26Å; H51-N55 WeakPolarHBondContact O-CB 3.5Å; H51-N55 PolarHBondContact O-N 3.4Å; N55-K635 PolarHBondContact ND2-O 3.25Å; N55-K635 PolarHBondContact OD1-O 3.36Å; N55-T637 WeakPolarHBondContact OD1-CB 3.33Å; N55-T637 PolarHBondContact OD1-N 3.48Å; N55-T637 PolarHBondContact OD1-OG1 3.46Å |
| 56 | G | 91.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | trans | 80.1 | -178.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V52 | V52-G56 WeakPolarHBondContact CA-O 3.43Å; V52-G56 WeakPolarHBondContact O-CA 3.3Å; V52-G56 PolarHBondContact O-N 2.97Å | ||
| 57 | P | 90.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | trans | -64.7 | 148.7 | -177.2 | 23.5 | -30.7 | 0 | 0 | 0 | 112.4 | T59 I61 L584 | P57-T59 VanDerWaalsContact C-N 3.27Å; P57-I61 HydrophobicContact CG-CD1 3.46Å; P57-I61 VanDerWaalsContact CG-CD1 3.46Å; P57-I61 HydrophobicContact CG-CG1 4.02Å; P57-L584 VanDerWaalsContact CB-O 3.25Å; P57-L584 WeakPolarHBondContact CB-O 3.41Å; P57-L584 WeakPolarHBondContact CD-O 3.49Å; P57-L584 WeakPolarHBondContact CG-O 3.36Å | ||
| 58 | T | 88.3 | Confident | 90.6 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -73.2 | -24.1 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 112 | Y48 P60 F568 | Y48-T58 HydrophobicContact CE2-CG2 4.12Å; T58-P60 WeakPolarHBondContact O-CD 3.4Å; T58-F568 HydrophobicContact CG2-CE2 4.15Å |
| 59 | T | 89.3 | Confident | 90.2 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -73.8 | 123.6 | 172.8 | -48.2 | 0 | 0 | 0 | 0 | 110.4 | P57 I61 F163 F393 F583 | P57-T59 VanDerWaalsContact C-N 3.27Å; T59-I61 PolarHBondContact O-N 3.17Å; T59-F163 HydrophobicContact CG2-CB 4.22Å; T59-F163 PolarHBondContact OG1-O 2.78Å; T59-F393 HydrophobicContact CG2-CE1 3.97Å; T59-F393 HydrophobicContact CG2-CZ 3.74Å; T59-F583 WeakPolarHBondContact OG1-CE1 3.28Å |
| 60 | P | 87.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 122.4 | 178.6 | -23.4 | 33.9 | 0 | 0 | 0 | 112 | T58 P62 F163 F393 | T58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-P62 WeakPolarHBondContact O-CD 3.45Å; P60-F163 HydrophobicContact CG-CE1 4.4Å; P60-F393 WeakPolarHBondContact O-CE1 3.2Å |
| 61 | I | 86.3 | Confident | 89.5 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 119.2 | 178.4 | -69.4 | 179.6 | 0 | 0 | 0 | 110.3 | P57 T59 V63 P392 F393 | P57-I61 HydrophobicContact CG-CD1 3.46Å; P57-I61 VanDerWaalsContact CG-CD1 3.46Å; P57-I61 HydrophobicContact CG-CG1 4.02Å; T59-I61 PolarHBondContact O-N 3.17Å; I61-V63 WeakPolarHBondContact CG2-O 3.29Å; I61-P392 HydrophobicContact CD1-CB 4.16Å; I61-P392 HydrophobicContact CG1-CB 4.17Å; I61-P392 HydrophobicContact CG2-CB 3.72Å; I61-F393 HydrophobicContact CG1-CE1 4.39Å; I61-F393 HydrophobicContact CG1-CZ 4.3Å |
| 62 | P | 79.6 | Confident | 89.4 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | trans | -79.4 | -27.5 | -178.7 | 29.9 | -35.7 | 0 | 0 | 0 | 114.2 | P60 P392 F393 F421 | P60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-P392 WeakPolarHBondContact CD-O 3.29Å; P62-P392 VanDerWaalsContact CG-O 3.29Å; P62-P392 WeakPolarHBondContact CG-O 3.29Å; P62-F393 VanDerWaalsContact CD-CD1 3.48Å; P62-F393 HydrophobicContact CG-CD1 4.02Å; P62-F421 HydrophobicContact CB-CB 4.15Å; P62-F421 HydrophobicContact CB-CD1 3.69Å; P62-F421 HydrophobicContact CB-CD2 3.74Å; P62-F421 HydrophobicContact CB-CE1 3.94Å; P62-F421 HydrophobicContact CB-CE2 3.97Å; P62-F421 HydrophobicContact CB-CG 3.6Å; P62-F421 HydrophobicContact CB-CZ 4.07Å; P62-F421 HydrophobicContact CG-CD1 4.28Å; P62-F421 HydrophobicContact CG-CD2 3.86Å; P62-F421 HydrophobicContact CG-CE1 4.06Å; P62-F421 HydrophobicContact CG-CE2 3.6Å; P62-F421 HydrophobicContact CG-CG 4.2Å; P62-F421 HydrophobicContact CG-CZ 3.72Å | ||
| 63 | V | 81.6 | Confident | 89.4 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -129.2 | 151.9 | -176.2 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | I61 A65 P392 A397 T398 F421 | I61-V63 WeakPolarHBondContact CG2-O 3.29Å; V63-A65 HydrophobicContact CG2-CB 4.2Å; V63-A65 PolarHBondContact O-N 3.06Å; V63-P392 VanDerWaalsContact CG2-C 3.48Å; V63-P392 WeakPolarHBondContact CG2-O 3.49Å; V63-A397 HydrophobicContact CB-CB 3.9Å; V63-A397 HydrophobicContact CG1-CB 3.74Å; V63-A397 HydrophobicContact CG2-CB 3.67Å; V63-T398 HydrophobicContact CG1-CG2 4.2Å; V63-F421 HydrophobicContact CG1-CE1 3.99Å |
| 64 | K | 82.8 | Confident | 89.4 | Confident | 228 Ų | 228 | 62.8 Ų | 62.8 | 99% | 0.991 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -78.2 | 50.3 | 179.9 | -61.5 | -176.4 | -178.2 | -179.9 | 0 | 112.5 | ||
| 65 | A | 87.3 | Confident | 89.4 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | trans | -108.4 | 157.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V63 A391 P392 | V63-A65 HydrophobicContact CG2-CB 4.2Å; V63-A65 PolarHBondContact O-N 3.06Å; A65-A391 HydrophobicContact CB-CB 4.17Å; A65-A391 WeakPolarHBondContact CB-O 3.09Å; A65-P392 WeakPolarHBondContact O-CG 3.29Å | ||
| 66 | K | 90.2 | Very high | 89.4 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 67% | 0.67 | 39% | 0.39 | S | S | * | . | trans | -112.3 | 148.9 | 177 | -70.4 | -165.4 | 173.5 | -159.3 | 0 | 110.4 | ||||
| 67 | P | 92.9 | Very high | 89.5 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.104 | 40% | 0.395 | C | S | . | . | trans | -53.9 | 143.6 | 168.9 | -25 | 36 | 0 | 0 | 0 | 111.5 | L389 P392 L584 D585 | P67-L389 VanDerWaalsContact CB-O 3.31Å; P67-L389 WeakPolarHBondContact CB-O 3.31Å; P67-P392 HydrophobicContact CG-CG 3.92Å; P67-L584 HydrophobicContact CG-CB 3.77Å; P67-L584 HydrophobicContact CG-CD1 4.04Å; P67-D585 HydrophobicContact CG-CB 4.34Å | ||
| 68 | S | 92.6 | Very high | 89.5 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | trans | -56.1 | 145.6 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 111 | T70 G388 L389 | S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact OG-N 2.9Å; S68-T70 VanDerWaalsContact OG-N 3.17Å; S68-G388 WeakPolarHBondContact CB-O 3.5Å; S68-G388 PolarHBondContact N-O 3.4Å; S68-L389 WeakPolarHBondContact O-CD2 3.41Å | ||
| 69 | S | 88.1 | Confident | 89.5 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 62% | 0.622 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -84.9 | -7.1 | 171.7 | 56 | 0 | 0 | 0 | 0 | 113.4 | ||
| 70 | T | 90.3 | Very high | 89.6 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -91.6 | 124.5 | -176.9 | -53.6 | 0 | 0 | 0 | 0 | 109.4 | S68 V385 | S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact OG-N 2.9Å; S68-T70 VanDerWaalsContact OG-N 3.17Å; T70-V385 HydrophobicContact CG2-CG1 3.96Å |
| 71 | D | 88.4 | Confident | 89.9 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 139.2 | 172.4 | -72 | -39.5 | 0 | 0 | 0 | 110.6 | ||
| 72 | P | 93.7 | Very high | 90.3 | Very high | 10 Ų | 10 | 82.7 Ų | 82.7 | 7% | 0.065 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 137.5 | 179.3 | 29.5 | -35.3 | 0 | 0 | 0 | 111.2 | Y382 V385 T386 L389 | P72-Y382 HydrophobicContact CB-CD2 3.86Å; P72-Y382 HydrophobicContact CB-CE2 3.67Å; P72-Y382 HydrophobicContact CG-CE2 3.88Å; P72-V385 HydrophobicContact CB-CB 4.12Å; P72-V385 HydrophobicContact CB-CG1 4.07Å; P72-T386 WeakPolarHBondContact CB-OG1 3.4Å; P72-T386 WeakPolarHBondContact CG-OG1 3.09Å; P72-L389 HydrophobicContact CG-CD1 4.36Å |
| 73 | V | 94.1 | Very high | 91.1 | Very high | 118 Ų | 118 | 83.2 Ų | 83.2 | 72% | 0.715 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -85.2 | 121.5 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | P75 Y382 | V73-P75 WeakPolarHBondContact O-CD 3.25Å; V73-Y382 WeakPolarHBondContact O-CD2 3.37Å |
| 74 | V | 95.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 87.8 Ų | 87.8 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 124.3 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | K134 Y382 | V74-K134 VanDerWaalsContact CG1-O 3.27Å; V74-K134 WeakPolarHBondContact CG1-O 3.32Å; V74-K134 HydrophobicContact CG2-CB 3.91Å; V74-K134 HydrophobicContact CG2-CD 4.46Å; V74-K134 HydrophobicContact CG2-CG 4.45Å; V74-Y382 HydrophobicContact CG2-CD2 4.37Å; V74-Y382 HydrophobicContact CG2-CE2 3.94Å |
| 75 | P | 95.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 77.3 Ų | 77.3 | 16% | 0.156 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 145.6 | 176.5 | -20.2 | 31.7 | 0 | 0 | 0 | 111.7 | V73 I135 F138 D378 | V73-P75 WeakPolarHBondContact O-CD 3.25Å; P75-I135 HydrophobicContact CG-CD1 4.19Å; P75-F138 HydrophobicContact CB-CD2 3.61Å; P75-F138 HydrophobicContact CB-CE2 3.58Å; P75-F138 HydrophobicContact CB-CG 4.26Å; P75-F138 HydrophobicContact CB-CZ 4.21Å; P75-F138 HydrophobicContact CG-CD2 4.27Å; P75-F138 HydrophobicContact CG-CE2 4.31Å; P75-F138 HydrophobicContact CG-CG 4.45Å; P75-D378 HydrophobicContact CB-CB 4.25Å; P75-D378 HydrophobicContact CG-CB 4.22Å; P75-D378 WeakPolarHBondContact CG-O 3.43Å |
| 76 | S | 92.6 | Very high | 93 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 79% | 0.79 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 145.9 | -179.5 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 77 | V | 93.4 | Very high | 93.4 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -120.9 | 148.8 | 175.6 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | P137 F138 | V77-P137 HydrophobicContact CG1-CB 4.45Å; V77-P137 HydrophobicContact CG2-CB 4.43Å; V77-F138 VanDerWaalsContact CG1-CA 3.45Å; V77-F138 HydrophobicContact CG1-CB 3.92Å; V77-F138 HydrophobicContact CG1-CD2 3.96Å; V77-F138 HydrophobicContact CG1-CG 4.43Å | ||
| 78 | T | 89.7 | Confident | 93.6 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | trans | -64.6 | 137.4 | 173.5 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | H141 | T78-H141 PolarHBondContact O-CE1 3.43Å; T78-H141 VanDerWaalsContact O-CE1 3.29Å | ||
| 79 | M | 88.7 | Confident | 93.9 | Very high | 190 Ų | 190 | 72.8 Ų | 72.8 | 94% | 0.936 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -66.9 | 140.1 | 173.7 | -66 | -160.3 | -156.7 | 0 | 0 | 111 | ||
| 80 | G | 91.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 69 Ų | 69 | 61% | 0.608 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 123.8 | -172.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H141 | G80-H141 PolarHBondContact O-CE1 3.08Å; G80-H141 VanDerWaalsContact O-CE1 3.3Å; G80-H141 PolarHBondContact O-NE2 2.93Å |
| 81 | D | 93.8 | Very high | 94.8 | Very high | 156 Ų | 156 | 70 Ų | 70 | 83% | 0.834 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 148.4 | 176 | -64.2 | -39.7 | 0 | 0 | 0 | 110.8 | ||
| 82 | P | 95.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 157.4 | 176.5 | 29.5 | -36.4 | 0 | 0 | 0 | 111.4 | S140 P180 N181 | P82-S140 WeakPolarHBondContact CB-OG 3.3Å; P82-S140 VanDerWaalsContact CG-OG 3.27Å; P82-S140 WeakPolarHBondContact CG-OG 3.22Å; P82-P180 HydrophobicContact CG-CG 3.7Å; P82-N181 HydrophobicContact CG-CB 4.47Å |
| 83 | P | 96.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 76.8 Ų | 76.8 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -61 | 155.2 | 177.3 | -19.7 | 31.7 | 0 | 0 | 0 | 112.4 | G85 N181 | P83-G85 PolarHBondContact O-N 2.89Å; P83-N181 WeakPolarHBondContact O-CB 3.46Å; P83-N181 PolarHBondContact O-ND2 3.46Å |
| 84 | V | 96.5 | Very high | 95.7 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 134 | 172.7 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | D88 | V84-D88 WeakPolarHBondContact CA-OD2 3.26Å; V84-D88 HydrophobicContact CG1-CB 3.73Å; V84-D88 WeakPolarHBondContact CG1-OD2 3.21Å |
| 85 | G | 97.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 9% | 0.093 | 40% | 0.403 | C | S | . | . | trans | -127 | -174 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | P83 R87 D88 S144 N181 | P83-G85 PolarHBondContact O-N 2.89Å; G85-R87 PolarHBondContact O-N 2.9Å; G85-D88 PolarHBondContact N-OD2 3.31Å; G85-D88 WeakPolarHBondContact O-CB 3.46Å; G85-D88 PolarHBondContact O-N 3.27Å; G85-D88 VanDerWaalsContact O-N 3.15Å; G85-S144 VanDerWaalsContact CA-O 3.24Å; G85-S144 WeakPolarHBondContact CA-O 3.37Å; G85-N181 CarbonylContact C-O 3.45Å; G85-N181 WeakPolarHBondContact CA-O 3.38Å | ||
| 86 | F | 97.8 | Very high | 96 | Very high | 25 Ų | 25 | 74.6 Ų | 74.6 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.2 | -20 | -179 | -94.9 | -82.7 | 0 | 0 | 0 | 113.9 | D88 V89 L90 F98 V102 H105 L109 P183 | F86-D88 VanDerWaalsContact C-N 3.33Å; F86-V89 PolarHBondContact O-N 2.93Å; F86-L90 PolarHBondContact O-N 3.12Å; F86-F98 HydrophobicContact CB-CE2 4.06Å; F86-F98 HydrophobicContact CD1-CD2 4.39Å; F86-F98 AromaticContact CD1-CE2 3.95Å; F86-F98 HydrophobicContact CD1-CE2 3.95Å; F86-F98 HydrophobicContact CG-CE2 4.42Å; F86-V102 HydrophobicContact CD1-CG2 4.34Å; F86-V102 HydrophobicContact CE1-CG2 4.13Å; F86-H105 AromaticContact CZ-ND1 3.93Å; F86-L109 HydrophobicContact CD2-CD2 4.47Å; F86-L109 HydrophobicContact CE1-CD1 4.3Å; F86-L109 HydrophobicContact CE2-CD1 4.3Å; F86-L109 HydrophobicContact CE2-CD2 3.52Å; F86-L109 HydrophobicContact CZ-CD1 3.81Å; F86-L109 HydrophobicContact CZ-CD2 3.78Å; F86-L109 HydrophobicContact CZ-CG 4.46Å; F86-P183 HydrophobicContact CB-CG 3.89Å |
| 87 | R | 98.3 | Very high | 96.3 | Very high | 37 Ų | 37 | 70 Ų | 70 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.7 | -33.3 | 175.7 | -164.7 | 174.3 | 173.4 | -101.2 | -6.4 | 111.9 | G85 V89 L90 L91 R176 P180 N181 P183 D217 | G85-R87 PolarHBondContact O-N 2.9Å; R87-V89 VanDerWaalsContact C-N 3.26Å; R87-V89 PolarHBondContact O-N 3.45Å; R87-L90 WeakPolarHBondContact O-CB 3.18Å; R87-L90 PolarHBondContact O-N 2.96Å; R87-L90 VanDerWaalsContact O-N 3.16Å; R87-L91 HydrophobicContact CG-CD1 4.33Å; R87-L91 HydrophobicContact CG-CG 4.32Å; R87-L91 WeakPolarHBondContact O-CG 3.38Å; R87-L91 PolarHBondContact O-N 3.46Å; R87-R176 VanDerWaalsContact CD-NH1 3.28Å; R87-P180 WeakPolarHBondContact CD-O 3.35Å; R87-P180 PolarHBondContact NH1-O 3.38Å; R87-N181 WeakPolarHBondContact CB-O 3.38Å; R87-N181 PolarHBondContact N-O 3.25Å; R87-N181 VanDerWaalsContact N-O 3.14Å; R87-P183 HydrophobicContact CB-CG 4.03Å; R87-D217 VanDerWaalsContact CD-OD2 3.3Å; R87-D217 WeakPolarHBondContact CD-OD2 3.38Å; R87-D217 IonicContact NE-OD1 3.21Å; R87-D217 IonicContact NE-OD2 3.37Å; R87-D217 PolarHBondContact NE-OD2 3.02Å |
| 88 | D | 98.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 177.2 | -61.1 | -71 | 0 | 0 | 0 | 111.1 | V84 G85 F86 R92 | V84-D88 WeakPolarHBondContact CA-OD2 3.26Å; V84-D88 HydrophobicContact CG1-CB 3.73Å; V84-D88 WeakPolarHBondContact CG1-OD2 3.21Å; G85-D88 PolarHBondContact N-OD2 3.31Å; G85-D88 WeakPolarHBondContact O-CB 3.46Å; G85-D88 PolarHBondContact O-N 3.27Å; G85-D88 VanDerWaalsContact O-N 3.15Å; F86-D88 VanDerWaalsContact C-N 3.33Å; D88-R92 VanDerWaalsContact O-CB 3.27Å; D88-R92 WeakPolarHBondContact O-CB 3.18Å; D88-R92 PolarHBondContact O-N 3.37Å |
| 89 | V | 98.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 16% | 0.164 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | F86 R87 L91 R92 D93 A101 | F86-V89 PolarHBondContact O-N 2.93Å; R87-V89 VanDerWaalsContact C-N 3.26Å; R87-V89 PolarHBondContact O-N 3.45Å; V89-L91 PolarHBondContact O-N 2.98Å; V89-R92 PolarHBondContact O-N 3.38Å; V89-D93 WeakPolarHBondContact O-CB 3.28Å; V89-D93 PolarHBondContact O-N 3.09Å; V89-A101 HydrophobicContact CG1-CB 3.75Å |
| 90 | L | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.9 | 174.9 | 60.4 | 0 | 0 | 0 | 112.5 | F86 R87 R92 G94 P95 F98 D217 V244 | F86-L90 PolarHBondContact O-N 3.12Å; R87-L90 WeakPolarHBondContact O-CB 3.18Å; R87-L90 PolarHBondContact O-N 2.96Å; R87-L90 VanDerWaalsContact O-N 3.16Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 2.64Å; L90-G94 VanDerWaalsContact O-CA 3.24Å; L90-G94 WeakPolarHBondContact O-CA 3.38Å; L90-G94 PolarHBondContact O-N 3.35Å; L90-P95 HydrophobicContact CD1-CG 4.35Å; L90-F98 HydrophobicContact CB-CB 4.14Å; L90-F98 HydrophobicContact CB-CD2 3.96Å; L90-F98 HydrophobicContact CB-CG 4.21Å; L90-F98 HydrophobicContact CD1-CB 3.82Å; L90-F98 HydrophobicContact CD1-CG 4.22Å; L90-D217 HydrophobicContact CD2-CB 3.59Å; L90-V244 HydrophobicContact CD1-CG2 3.41Å; L90-V244 VanDerWaalsContact CD1-CG2 3.41Å; L90-V244 HydrophobicContact CD2-CG2 3.9Å; L90-V244 HydrophobicContact CG-CG2 4.32Å |
| 91 | L | 98.2 | Very high | 97.8 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | 180 | -67.6 | 176.2 | 0 | 0 | 0 | 112.4 | R87 V89 | R87-L91 HydrophobicContact CG-CD1 4.33Å; R87-L91 HydrophobicContact CG-CG 4.32Å; R87-L91 WeakPolarHBondContact O-CG 3.38Å; R87-L91 PolarHBondContact O-N 3.46Å; V89-L91 PolarHBondContact O-N 2.98Å |
| 92 | R | 98.3 | Very high | 98 | Very high | 174 Ų | 174 | 51.8 Ų | 51.8 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -79.3 | -45.5 | -179.6 | -172.7 | -172.2 | 64.2 | -140.2 | -5 | 112.6 | D88 V89 L90 | D88-R92 VanDerWaalsContact O-CB 3.27Å; D88-R92 WeakPolarHBondContact O-CB 3.18Å; D88-R92 PolarHBondContact O-N 3.37Å; V89-R92 PolarHBondContact O-N 3.38Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 2.64Å |
| 93 | D | 98.4 | Very high | 98.2 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -111.9 | -2.6 | -165.8 | -54.5 | -27.3 | 0 | 0 | 0 | 113.5 | V89 | V89-D93 WeakPolarHBondContact O-CB 3.28Å; V89-D93 PolarHBondContact O-N 3.09Å |
| 94 | G | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | 72.6 | -180 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L90 E96 G97 F98 | L90-G94 VanDerWaalsContact O-CA 3.24Å; L90-G94 WeakPolarHBondContact O-CA 3.38Å; L90-G94 PolarHBondContact O-N 3.35Å; G94-E96 PolarHBondContact O-N 2.92Å; G94-G97 PolarHBondContact O-N 2.67Å; G94-F98 WeakPolarHBondContact O-CB 3.31Å; G94-F98 PolarHBondContact O-N 3.34Å |
| 95 | P | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.6 | -41.4 | -176.7 | -30.1 | 38.7 | 0 | 0 | 0 | 115.2 | L90 F98 A99 V244 H281 | L90-P95 HydrophobicContact CD1-CG 4.35Å; P95-F98 WeakPolarHBondContact O-CB 3.25Å; P95-F98 PolarHBondContact O-N 3.28Å; P95-A99 PolarHBondContact O-N 2.87Å; P95-V244 HydrophobicContact CB-CG2 4.08Å; P95-V244 HydrophobicContact CG-CG2 4.43Å; P95-H281 WeakPolarHBondContact CB-NE2 3.14Å |
| 96 | E | 98.3 | Very high | 98.3 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.8 | -38.3 | 179.3 | -62.8 | 81.8 | 173.4 | 0 | 0 | 111.9 | G94 A99 K100 H281 | G94-E96 PolarHBondContact O-N 2.92Å; E96-A99 PolarHBondContact O-N 2.93Å; E96-K100 WeakPolarHBondContact O-CG 3.3Å; E96-K100 PolarHBondContact O-N 3.39Å; E96-K100 VanDerWaalsContact O-N 3.08Å; E96-H281 IonicContact OE1-NE2 3.39Å |
| 97 | G | 98.5 | Very high | 98.3 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G94 K100 A101 | G94-G97 PolarHBondContact O-N 2.67Å; G97-K100 PolarHBondContact O-N 2.78Å; G97-A101 PolarHBondContact O-N 3.09Å |
| 98 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -51 | 173 | 173.8 | -102.9 | 0 | 0 | 0 | 112.2 | F86 L90 G94 P95 K100 A101 V102 F147 P183 I218 V244 I282 | F86-F98 HydrophobicContact CB-CE2 4.06Å; F86-F98 HydrophobicContact CD1-CD2 4.39Å; F86-F98 AromaticContact CD1-CE2 3.95Å; F86-F98 HydrophobicContact CD1-CE2 3.95Å; F86-F98 HydrophobicContact CG-CE2 4.42Å; L90-F98 HydrophobicContact CB-CB 4.14Å; L90-F98 HydrophobicContact CB-CD2 3.96Å; L90-F98 HydrophobicContact CB-CG 4.21Å; L90-F98 HydrophobicContact CD1-CB 3.82Å; L90-F98 HydrophobicContact CD1-CG 4.22Å; G94-F98 WeakPolarHBondContact O-CB 3.31Å; G94-F98 PolarHBondContact O-N 3.34Å; P95-F98 WeakPolarHBondContact O-CB 3.25Å; P95-F98 PolarHBondContact O-N 3.28Å; F98-K100 VanDerWaalsContact C-N 3.31Å; F98-K100 PolarHBondContact O-N 2.87Å; F98-A101 WeakPolarHBondContact O-CB 3.27Å; F98-A101 PolarHBondContact O-N 2.92Å; F98-A101 VanDerWaalsContact O-N 3.09Å; F98-V102 HydrophobicContact CD1-CG2 4.39Å; F98-V102 HydrophobicContact CD2-CG2 4.41Å; F98-V102 HydrophobicContact CE1-CG2 4.03Å; F98-V102 HydrophobicContact CE2-CG2 4.03Å; F98-V102 HydrophobicContact CZ-CG2 3.84Å; F98-V102 WeakPolarHBondContact O-CG2 3.29Å; F98-V102 PolarHBondContact O-N 3.49Å; F98-F147 HydrophobicContact CE1-CD2 4.42Å; F98-F147 AromaticContact CE1-CE2 3.61Å; F98-F147 HydrophobicContact CE1-CE2 3.61Å; F98-F147 HydrophobicContact CE1-CZ 4.15Å; F98-F147 AromaticContact CZ-CD2 3.81Å; F98-F147 HydrophobicContact CZ-CD2 3.81Å; F98-F147 AromaticContact CZ-CE2 3.43Å; F98-F147 HydrophobicContact CZ-CE2 3.43Å; F98-F147 VanDerWaalsContact CZ-CE2 3.43Å; F98-F147 HydrophobicContact CZ-CZ 4.16Å; F98-P183 HydrophobicContact CE2-CG 4.02Å; F98-P183 HydrophobicContact CZ-CG 4.36Å; F98-I218 HydrophobicContact CE1-CD1 3.78Å; F98-I218 HydrophobicContact CE1-CG1 4.49Å; F98-I218 HydrophobicContact CZ-CD1 3.73Å; F98-V244 HydrophobicContact CD1-CG1 3.98Å; F98-V244 HydrophobicContact CD1-CG2 3.81Å; F98-V244 HydrophobicContact CE1-CG1 4.15Å; F98-V244 HydrophobicContact CE1-CG2 4.26Å; F98-V244 HydrophobicContact CG-CG2 4.45Å; F98-I282 HydrophobicContact CD1-CD1 4.42Å; F98-I282 HydrophobicContact CE1-CD1 3.85Å |
| 99 | A | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P95 E96 A101 V102 R103 H281 P312 | P95-A99 PolarHBondContact O-N 2.87Å; E96-A99 PolarHBondContact O-N 2.93Å; A99-A101 PolarHBondContact O-N 3.32Å; A99-V102 PolarHBondContact O-N 2.82Å; A99-R103 PolarHBondContact O-N 2.62Å; A99-H281 HydrophobicContact CB-CB 4.15Å; A99-H281 WeakPolarHBondContact CB-O 3.28Å; A99-P312 HydrophobicContact CB-CG 4.1Å; A99-P312 WeakPolarHBondContact O-CG 3.48Å |
| 100 | K | 98.7 | Very high | 98.4 | Very high | 153 Ų | 153 | 53.9 Ų | 53.9 | 67% | 0.665 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 174.5 | -73.2 | 172 | -177 | 173.5 | 0 | 112.2 | E96 G97 F98 R103 A104 | E96-K100 WeakPolarHBondContact O-CG 3.3Å; E96-K100 PolarHBondContact O-N 3.39Å; E96-K100 VanDerWaalsContact O-N 3.08Å; G97-K100 PolarHBondContact O-N 2.78Å; F98-K100 VanDerWaalsContact C-N 3.31Å; F98-K100 PolarHBondContact O-N 2.87Å; K100-R103 PolarHBondContact O-N 3.41Å; K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.45Å; K100-A104 PolarHBondContact O-N 2.8Å |
| 101 | A | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V89 G97 F98 A99 A104 H105 | V89-A101 HydrophobicContact CG1-CB 3.75Å; G97-A101 PolarHBondContact O-N 3.09Å; F98-A101 WeakPolarHBondContact O-CB 3.27Å; F98-A101 PolarHBondContact O-N 2.92Å; F98-A101 VanDerWaalsContact O-N 3.09Å; A99-A101 PolarHBondContact O-N 3.32Å; A101-A104 PolarHBondContact O-N 2.86Å; A101-H105 PolarHBondContact O-N 3Å; A101-H105 VanDerWaalsContact O-N 3.1Å |
| 102 | V | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | F86 F98 A99 A104 H105 L109 F147 P312 D337 V338 | F86-V102 HydrophobicContact CD1-CG2 4.34Å; F86-V102 HydrophobicContact CE1-CG2 4.13Å; F98-V102 HydrophobicContact CD1-CG2 4.39Å; F98-V102 HydrophobicContact CD2-CG2 4.41Å; F98-V102 HydrophobicContact CE1-CG2 4.03Å; F98-V102 HydrophobicContact CE2-CG2 4.03Å; F98-V102 HydrophobicContact CZ-CG2 3.84Å; F98-V102 WeakPolarHBondContact O-CG2 3.29Å; F98-V102 PolarHBondContact O-N 3.49Å; A99-V102 PolarHBondContact O-N 2.82Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.24Å; V102-H105 WeakPolarHBondContact O-CB 3.34Å; V102-H105 PolarHBondContact O-N 2.86Å; V102-L109 HydrophobicContact CB-CD1 4.48Å; V102-L109 HydrophobicContact CG1-CD1 3.99Å; V102-L109 HydrophobicContact CG2-CD1 4.49Å; V102-F147 HydrophobicContact CG1-CD2 4.16Å; V102-F147 HydrophobicContact CG1-CE2 4.17Å; V102-F147 HydrophobicContact CG2-CD2 3.77Å; V102-F147 HydrophobicContact CG2-CE2 3.78Å; V102-P312 HydrophobicContact CB-CG 4.35Å; V102-P312 HydrophobicContact CG1-CB 3.92Å; V102-P312 HydrophobicContact CG1-CG 4.26Å; V102-D337 HydrophobicContact CG1-CB 4.31Å; V102-V338 HydrophobicContact CG1-CG2 3.94Å |
| 103 | R | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 40.3 Ų | 40.3 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.3 | -33.9 | 179.2 | -175.9 | 64 | -159 | 96.4 | 4.1 | 113.5 | A99 K100 P309 P312 D337 | A99-R103 PolarHBondContact O-N 2.62Å; K100-R103 PolarHBondContact O-N 3.41Å; R103-P309 PolarHBondContact NE-O 2.84Å; R103-P312 HydrophobicContact CB-CG 4.14Å; R103-D337 IonicContact CZ-OD1 3.17Å; R103-D337 IonicContact NE-OD1 3.83Å; R103-D337 IonicContact NH1-OD1 2.91Å; R103-D337 PolarHBondContact NH1-OD1 3.07Å |
| 104 | A | 98.3 | Very high | 98.5 | Very high | 67 Ų | 67 | 37 Ų | 37 | 55% | 0.554 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -81.1 | -15.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K100 A101 V102 Q106 | K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.45Å; K100-A104 PolarHBondContact O-N 2.8Å; A101-A104 PolarHBondContact O-N 2.86Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.24Å; A104-Q106 PolarHBondContact O-NE2 3.01Å |
| 105 | H | 98.2 | Very high | 98.5 | Very high | 61 Ų | 61 | 36 Ų | 36 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | trans | -58 | 139.7 | -179.9 | -174.9 | 79.2 | 0 | 0 | 0 | 111.3 | F86 A101 V102 L109 | F86-H105 AromaticContact CZ-ND1 3.93Å; A101-H105 PolarHBondContact O-N 3Å; A101-H105 VanDerWaalsContact O-N 3.1Å; V102-H105 WeakPolarHBondContact O-CB 3.34Å; V102-H105 PolarHBondContact O-N 2.86Å; H105-L109 HydrophobicContact CB-CD1 4.04Å; H105-L109 HydrophobicContact CB-CG 4.42Å; H105-L109 VanDerWaalsContact CD2-CG 3.49Å; H105-L109 WeakPolarHBondContact CD2-CG 3.5Å; H105-L109 WeakPolarHBondContact NE2-CD2 3.44Å | ||
| 106 | Q | 96.8 | Very high | 98.5 | Very high | 166 Ų | 166 | 35 Ų | 35 | 78% | 0.776 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -99.8 | 121.4 | 175.9 | -62 | -59.3 | -61.8 | 0 | 0 | 108.8 | A104 | A104-Q106 PolarHBondContact O-NE2 3.01Š|
| 107 | G | 97.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 109.8 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D368 | G107-D368 WeakPolarHBondContact CA-O 3.42Š|
| 108 | L | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -94.6 | 126 | 176.1 | -180 | 63.3 | 0 | 0 | 0 | 109.6 | L110 A332 V339 I358 T362 Y367 T369 | L108-L110 HydrophobicContact CD2-CD2 4.28Å; L108-L110 HydrophobicContact CG-CD2 4.26Å; L108-A332 HydrophobicContact CD1-CB 3.94Å; L108-A332 HydrophobicContact CD2-CB 3.82Å; L108-A332 HydrophobicContact CG-CB 4.41Å; L108-V339 HydrophobicContact CD1-CG1 4.2Å; L108-V339 HydrophobicContact CD1-CG2 4.24Å; L108-V339 HydrophobicContact CD2-CG2 3.74Å; L108-V339 HydrophobicContact CG-CG2 4.14Å; L108-I358 HydrophobicContact CD2-CG2 4.06Å; L108-T362 HydrophobicContact CD2-CG2 4.29Å; L108-Y367 WeakPolarHBondContact CB-O 3.46Å; L108-Y367 PolarHBondContact N-O 3.07Å; L108-T369 HydrophobicContact CB-CG2 4.41Å; L108-T369 WeakPolarHBondContact O-CA 3.19Å; L108-T369 WeakPolarHBondContact O-CG2 3.13Å | ||
| 109 | L | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 148.6 | 171.2 | -68.1 | 167.7 | 0 | 0 | 0 | 110.8 | F86 V102 H105 F147 D337 V338 V339 | F86-L109 HydrophobicContact CD2-CD2 4.47Å; F86-L109 HydrophobicContact CE1-CD1 4.3Å; F86-L109 HydrophobicContact CE2-CD1 4.3Å; F86-L109 HydrophobicContact CE2-CD2 3.52Å; F86-L109 HydrophobicContact CZ-CD1 3.81Å; F86-L109 HydrophobicContact CZ-CD2 3.78Å; F86-L109 HydrophobicContact CZ-CG 4.46Å; V102-L109 HydrophobicContact CB-CD1 4.48Å; V102-L109 HydrophobicContact CG1-CD1 3.99Å; V102-L109 HydrophobicContact CG2-CD1 4.49Å; H105-L109 HydrophobicContact CB-CD1 4.04Å; H105-L109 HydrophobicContact CB-CG 4.42Å; H105-L109 VanDerWaalsContact CD2-CG 3.49Å; H105-L109 WeakPolarHBondContact CD2-CG 3.5Å; H105-L109 WeakPolarHBondContact NE2-CD2 3.44Å; L109-F147 HydrophobicContact CB-CB 3.97Å; L109-F147 HydrophobicContact CD1-CB 4.45Å; L109-D337 PolarHBondContact N-O 2.8Å; L109-V338 HydrophobicContact CB-CG1 4.33Å; L109-V338 HydrophobicContact CB-CG2 4.1Å; L109-V338 HydrophobicContact CD1-CG2 4.46Å; L109-V338 WeakPolarHBondContact O-CA 3.31Å; L109-V339 PolarHBondContact O-N 3.13Å; L109-V339 VanDerWaalsContact O-N 3.14Å |
| 110 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.8 | 177.1 | -54.8 | -171.8 | 0 | 0 | 0 | 110.6 | L108 L146 F147 V339 V341 M355 I358 V359 T369 I371 | L108-L110 HydrophobicContact CD2-CD2 4.28Å; L108-L110 HydrophobicContact CG-CD2 4.26Å; L110-L146 HydrophobicContact CB-CD2 3.93Å; L110-L146 WeakPolarHBondContact O-CD2 3.39Å; L110-F147 PolarHBondContact O-N 3.09Å; L110-V339 HydrophobicContact CD2-CG2 3.65Å; L110-V341 HydrophobicContact CB-CG2 3.97Å; L110-V341 HydrophobicContact CD1-CG2 4.02Å; L110-V341 HydrophobicContact CD2-CG1 4.21Å; L110-V341 HydrophobicContact CG-CG2 4.44Å; L110-M355 HydrophobicContact CD1-CG 4.14Å; L110-I358 HydrophobicContact CD2-CG2 3.81Å; L110-V359 HydrophobicContact CD1-CG2 3.81Å; L110-T369 HydrophobicContact CD1-CG2 4.06Å; L110-T369 HydrophobicContact CD2-CG2 4.04Å; L110-T369 HydrophobicContact CG-CG2 3.97Å; L110-I371 HydrophobicContact CB-CD1 4.45Å; L110-I371 HydrophobicContact CD1-CD1 3.69Å; L110-I371 HydrophobicContact CG-CD1 4.21Å |
| 111 | M | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.7 | 162.5 | -175.7 | -170.8 | 90.5 | 0 | 0 | 109.4 | T113 F147 S148 E150 Q185 H314 V338 V339 D340 V341 | M111-T113 HydrophobicContact CE-CG2 3.26Å; M111-F147 HydrophobicContact CB-CD1 4.17Å; M111-F147 HydrophobicContact CG-CD1 4.49Å; M111-S148 WeakPolarHBondContact CA-O 3.35Å; M111-S148 WeakPolarHBondContact CG-O 3.32Å; M111-S148 WeakPolarHBondContact CG-OG 3.26Å; M111-E150 HydrophobicContact CE-CB 3.56Å; M111-E150 HydrophobicContact CE-CG 4.24Å; M111-E150 HydrophobicContact SD-CB 3.97Å; M111-Q185 HydrophobicContact SD-CG 4.2Å; M111-Q185 PolarHBondContact SD-NE2 3.33Å; M111-Q185 VanDerWaalsContact SD-NE2 3.41Å; M111-H314 VanDerWaalsContact SD-CE1 3.59Å; M111-V338 HydrophobicContact CB-CG1 4.29Å; M111-V339 PolarHBondContact N-O 2.8Å; M111-D340 HydrophobicContact CE-CB 4.19Å; M111-D340 WeakPolarHBondContact CE-OD1 3.39Å; M111-D340 WeakPolarHBondContact CE-OD2 3.33Å; M111-V341 PolarHBondContact O-N 3.25Å |
| 112 | D | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.7 | 175.1 | -177.4 | 17.6 | 0 | 0 | 0 | 111 | T114 L146 S148 L149 E150 V341 M355 Y379 | D112-T114 WeakPolarHBondContact OD1-CB 3.18Å; D112-T114 PolarHBondContact OD1-N 2.8Å; D112-T114 PolarHBondContact OD1-OG1 3.19Å; D112-L146 HydrophobicContact CB-CD1 3.9Å; D112-L146 HydrophobicContact CB-CD2 4.44Å; D112-S148 PolarHBondContact N-O 2.99Å; D112-L149 HydrophobicContact CB-CD1 3.8Å; D112-E150 PolarHBondContact O-N 3.27Å; D112-V341 WeakPolarHBondContact CA-O 3.25Å; D112-M355 HydrophobicContact CB-CE 3.9Å; D112-Y379 WeakPolarHBondContact OD2-CE1 3.33Å; D112-Y379 PolarHBondContact OD2-OH 3.48Å |
| 113 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -98.3 | 2 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | M111 F115 R116 D117 A118 D340 V341 Q352 | M111-T113 HydrophobicContact CE-CG2 3.26Å; T113-F115 PolarHBondContact O-N 3.08Å; T113-R116 CarbonylContact O-C 3.51Å; T113-R116 PolarHBondContact O-N 3.5Å; T113-D117 HydrophobicContact CG2-CB 4.27Å; T113-D117 PolarHBondContact O-N 3.17Å; T113-D117 VanDerWaalsContact O-N 3.09Å; T113-A118 PolarHBondContact O-N 3.32Å; T113-A118 VanDerWaalsContact O-N 3.16Å; T113-D340 HydrophobicContact CG2-CB 4.06Å; T113-V341 PolarHBondContact N-O 2.88Å; T113-V341 PolarHBondContact OG1-O 3.34Å; T113-Q352 HydrophobicContact CG2-CG 3.86Å; T113-Q352 VanDerWaalsContact OG1-CD 3.32Å; T113-Q352 WeakPolarHBondContact OG1-CG 3.38Å; T113-Q352 PolarHBondContact OG1-OE1 3.11Å | ||
| 114 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -32 | -174.1 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | D112 H119 V343 M346 Y379 W383 | D112-T114 WeakPolarHBondContact OD1-CB 3.18Å; D112-T114 PolarHBondContact OD1-N 2.8Å; D112-T114 PolarHBondContact OD1-OG1 3.19Å; T114-H119 PolarHBondContact O-CD2 2.86Å; T114-V343 HydrophobicContact CG2-CG1 3.64Å; T114-V343 PolarHBondContact OG1-N 2.89Å; T114-M346 HydrophobicContact CG2-CB 4.13Å; T114-M346 HydrophobicContact CG2-CG 4.08Å; T114-Y379 WeakPolarHBondContact CB-OH 3.39Å; T114-W383 HydrophobicContact CG2-CD2 3.87Å; T114-W383 HydrophobicContact CG2-CG 4.22Å; T114-W383 HydrophobicContact CG2-CH2 4.43Å; T114-W383 HydrophobicContact CG2-CZ2 3.72Å |
| 115 | F | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.6 | -178.3 | -80.2 | 50.1 | 0 | 0 | 0 | 114 | T113 H119 L132 I135 V139 L149 E150 N151 L175 I179 Y379 W383 | T113-F115 PolarHBondContact O-N 3.08Å; F115-H119 VanDerWaalsContact C-NE2 3.34Å; F115-H119 PolarHBondContact O-NE2 2.93Å; F115-L132 HydrophobicContact CB-CD2 4.07Å; F115-L132 HydrophobicContact CD1-CD2 4.01Å; F115-L132 HydrophobicContact CD2-CB 4.11Å; F115-L132 HydrophobicContact CD2-CD2 3.62Å; F115-L132 HydrophobicContact CD2-CG 4.31Å; F115-L132 HydrophobicContact CE1-CD2 4.35Å; F115-L132 HydrophobicContact CE2-CB 3.93Å; F115-L132 HydrophobicContact CE2-CD2 4.01Å; F115-L132 HydrophobicContact CG-CD2 3.62Å; F115-L132 HydrophobicContact CZ-CD2 4.36Å; F115-I135 HydrophobicContact CE1-CG2 4.04Å; F115-I135 HydrophobicContact CZ-CG2 3.75Å; F115-V139 HydrophobicContact CE1-CG2 4.18Å; F115-V139 HydrophobicContact CZ-CG2 4.23Å; F115-L149 HydrophobicContact CB-CD1 4.13Å; F115-L149 HydrophobicContact CB-CG 4.37Å; F115-L149 HydrophobicContact CD1-CD1 3.85Å; F115-L149 HydrophobicContact CD1-CD2 4.39Å; F115-L149 HydrophobicContact CD2-CD2 3.88Å; F115-L149 HydrophobicContact CE1-CD1 4.44Å; F115-L149 HydrophobicContact CE2-CD2 4.09Å; F115-L149 HydrophobicContact CG-CD1 3.95Å; F115-L149 HydrophobicContact CG-CD2 4.04Å; F115-L149 HydrophobicContact CG-CG 4.27Å; F115-L149 HydrophobicContact CZ-CD2 4.45Å; F115-E150 CarbonylContact C-O 3.57Å; F115-E150 WeakPolarHBondContact CB-O 3.48Å; F115-N151 HydrophobicContact CB-CB 3.65Å; F115-N151 HydrophobicContact CD2-CB 4.26Å; F115-N151 HydrophobicContact CG-CB 4.41Å; F115-L175 HydrophobicContact CD2-CD1 4.11Å; F115-L175 HydrophobicContact CE2-CD1 4.46Å; F115-L175 HydrophobicContact CE2-CD2 4.06Å; F115-I179 HydrophobicContact CE2-CD1 4.17Å; F115-I179 HydrophobicContact CZ-CD1 4.45Å; F115-Y379 VanDerWaalsContact CE1-OH 3.28Å; F115-Y379 WeakPolarHBondContact CE1-OH 3.3Å; F115-W383 HydrophobicContact CD1-CZ2 4.36Å; F115-W383 HydrophobicContact CE1-CZ2 4.13Å |
| 116 | R | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139 | -80.1 | -178.5 | -156.2 | -76.7 | -67.9 | 166.9 | 4.5 | 113.1 | T113 A118 H119 Q120 E150 D154 A156 | T113-R116 CarbonylContact O-C 3.51Å; T113-R116 PolarHBondContact O-N 3.5Å; R116-A118 PolarHBondContact O-N 3.02Å; R116-H119 WeakPolarHBondContact CA-NE2 3.35Å; R116-H119 PolarHBondContact O-CD2 2.88Å; R116-H119 VanDerWaalsContact O-CD2 3.26Å; R116-H119 PolarHBondContact O-NE2 3.4Å; R116-Q120 WeakPolarHBondContact O-CB 3.37Å; R116-Q120 PolarHBondContact O-N 2.75Å; R116-Q120 VanDerWaalsContact O-N 3.11Å; R116-E150 HydrophobicContact CB-CG 4.07Å; R116-E150 VanDerWaalsContact CB-O 3.25Å; R116-E150 WeakPolarHBondContact CB-O 3.43Å; R116-E150 HydrophobicContact CG-CG 4.43Å; R116-E150 IonicContact CZ-OE1 3.78Å; R116-E150 IonicContact CZ-OE2 2.7Å; R116-E150 PolarHBondContact N-O 3.12Å; R116-E150 VanDerWaalsContact NE-CD 3.29Å; R116-E150 IonicContact NE-OE1 2.67Å; R116-E150 IonicContact NE-OE2 2.76Å; R116-E150 PolarHBondContact NE-OE2 2.89Å; R116-E150 IonicContact NH2-OE1 2.72Å; R116-E150 PolarHBondContact NH2-OE1 2.86Å; R116-E150 IonicContact NH2-OE2 3.63Å; R116-E150 PolarHBondContact NH2-OE2 3Å; R116-D154 IonicContact NH1-OD2 3.58Å; R116-A156 HydrophobicContact CG-CB 4.31Å |
| 117 | D | 97.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 3.9 Ų | 3.9 | 2% | 0.021 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -72 | -30.6 | -167.1 | -155.8 | 46.3 | 0 | 0 | 0 | 114.1 | T113 Q120 S121 E150 H316 H318 Q352 | T113-D117 HydrophobicContact CG2-CB 4.27Å; T113-D117 PolarHBondContact O-N 3.17Å; T113-D117 VanDerWaalsContact O-N 3.09Å; D117-Q120 WeakPolarHBondContact O-CB 2.99Å; D117-Q120 PolarHBondContact O-N 2.89Å; D117-S121 WeakPolarHBondContact O-CB 3.26Å; D117-S121 PolarHBondContact O-N 2.64Å; D117-S121 PolarHBondContact O-OG 3.45Å; D117-E150 WeakPolarHBondContact CB-OE2 3.26Å; D117-H316 IonicContact OD2-CE1 2.7Å; D117-H316 PolarHBondContact OD2-CE1 3.34Å; D117-H316 IonicContact OD2-NE2 2.93Å; D117-H318 IonicContact OD2-CE1 3.27Å; D117-H318 PolarHBondContact OD2-CE1 3.36Å; D117-H318 IonicContact OD2-NE2 3.58Å; D117-H318 PolarHBondContact OD2-NE2 3.11Å; D117-Q352 PolarHBondContact OD2-NE2 3.3Å |
| 118 | A | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.2 | -53 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T113 R116 Q120 S121 L122 A342 M346 S351 | T113-A118 PolarHBondContact O-N 3.32Å; T113-A118 VanDerWaalsContact O-N 3.16Å; R116-A118 PolarHBondContact O-N 3.02Å; A118-Q120 VanDerWaalsContact C-N 3.34Å; A118-S121 PolarHBondContact O-N 2.94Å; A118-L122 WeakPolarHBondContact O-CB 3.41Å; A118-L122 WeakPolarHBondContact O-CG 3.44Å; A118-L122 PolarHBondContact O-N 3.49Å; A118-A342 HydrophobicContact CB-CB 3.9Å; A118-M346 HydrophobicContact CB-CB 4.29Å; A118-S351 VanDerWaalsContact CA-OG 3.3Å; A118-S351 WeakPolarHBondContact CA-OG 3.3Å; A118-S351 WeakPolarHBondContact CB-OG 3.33Å |
| 119 | H | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -74.9 | -24.2 | 177.7 | 72.6 | 87.2 | 0 | 0 | 0 | 112.9 | T114 F115 R116 S121 L123 A124 T125 V127 M346 | T114-H119 PolarHBondContact O-CD2 2.86Å; F115-H119 VanDerWaalsContact C-NE2 3.34Å; F115-H119 PolarHBondContact O-NE2 2.93Å; R116-H119 WeakPolarHBondContact CA-NE2 3.35Å; R116-H119 PolarHBondContact O-CD2 2.88Å; R116-H119 VanDerWaalsContact O-CD2 3.26Å; R116-H119 PolarHBondContact O-NE2 3.4Å; H119-S121 PolarHBondContact O-N 3.49Å; H119-L123 HydrophobicContact CB-CB 4.27Å; H119-L123 HydrophobicContact CB-CD1 4.2Å; H119-L123 HydrophobicContact CB-CG 4.46Å; H119-L123 CarbonylContact O-C 3.58Å; H119-L123 VanDerWaalsContact O-C 3.25Å; H119-L123 VanDerWaalsContact O-CA 3.3Å; H119-L123 WeakPolarHBondContact O-CA 3.32Å; H119-L123 WeakPolarHBondContact O-CB 3.36Å; H119-L123 PolarHBondContact O-N 2.99Å; H119-A124 PolarHBondContact O-N 2.62Å; H119-T125 VanDerWaalsContact ND1-CA 3.28Å; H119-T125 WeakPolarHBondContact ND1-CA 3.27Å; H119-T125 PolarHBondContact O-N 2.84Å; H119-V127 HydrophobicContact CB-CB 3.95Å; H119-V127 HydrophobicContact CB-CG2 3.36Å; H119-M346 HydrophobicContact CB-CE 3.78Å |
| 120 | Q | 94.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 4.6 Ų | 4.6 | 7% | 0.07 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 167.3 | 175.3 | 168.2 | -27 | 0 | 0 | 111.4 | R116 D117 A118 T125 D154 | R116-Q120 WeakPolarHBondContact O-CB 3.37Å; R116-Q120 PolarHBondContact O-N 2.75Å; R116-Q120 VanDerWaalsContact O-N 3.11Å; D117-Q120 WeakPolarHBondContact O-CB 2.99Å; D117-Q120 PolarHBondContact O-N 2.89Å; A118-Q120 VanDerWaalsContact C-N 3.34Å; Q120-T125 WeakPolarHBondContact CA-OG1 3.16Å; Q120-T125 HydrophobicContact CB-CG2 4.28Å; Q120-T125 WeakPolarHBondContact CG-OG1 3.47Å; Q120-D154 PolarHBondContact NE2-OD2 3.24Å |
| 121 | S | 93.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -79.9 | -42.7 | -178.4 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | D117 A118 H119 H318 T350 T417 | D117-S121 WeakPolarHBondContact O-CB 3.26Å; D117-S121 PolarHBondContact O-N 2.64Å; D117-S121 PolarHBondContact O-OG 3.45Å; A118-S121 PolarHBondContact O-N 2.94Å; H119-S121 PolarHBondContact O-N 3.49Å; S121-H318 PolarHBondContact OG-CE1 2.83Å; S121-T350 WeakPolarHBondContact CB-O 3.38Å; S121-T350 PolarHBondContact O-OG1 3.49Å; S121-T350 PolarHBondContact OG-O 3.07Å; S121-T417 PolarHBondContact O-OG1 3.04Å |
| 122 | L | 94.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -90.7 | -36.8 | -173 | -64.3 | 176.7 | 0 | 0 | 0 | 113.8 | A118 M346 M349 C395 | A118-L122 WeakPolarHBondContact O-CB 3.41Å; A118-L122 WeakPolarHBondContact O-CG 3.44Å; A118-L122 PolarHBondContact O-N 3.49Å; L122-M346 HydrophobicContact CD1-CB 4.48Å; L122-M346 WeakPolarHBondContact CD1-O 3.4Å; L122-M349 HydrophobicContact CD2-CE 3.68Å; L122-C395 PolarHBondContact O-N 2.8Å |
| 123 | L | 94.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -125.1 | 22.7 | -165 | -54 | 179.4 | 0 | 0 | 0 | 112.3 | H119 T125 R126 V127 M346 R387 Y390 D394 | H119-L123 HydrophobicContact CB-CB 4.27Å; H119-L123 HydrophobicContact CB-CD1 4.2Å; H119-L123 HydrophobicContact CB-CG 4.46Å; H119-L123 CarbonylContact O-C 3.58Å; H119-L123 VanDerWaalsContact O-C 3.25Å; H119-L123 VanDerWaalsContact O-CA 3.3Å; H119-L123 WeakPolarHBondContact O-CA 3.32Å; H119-L123 WeakPolarHBondContact O-CB 3.36Å; H119-L123 PolarHBondContact O-N 2.99Å; L123-T125 PolarHBondContact O-N 2.61Å; L123-T125 VanDerWaalsContact O-N 3.11Å; L123-R126 VanDerWaalsContact O-CB 3.29Å; L123-R126 WeakPolarHBondContact O-CB 3.3Å; L123-R126 VanDerWaalsContact O-CG 3.31Å; L123-R126 WeakPolarHBondContact O-CG 3.24Å; L123-R126 PolarHBondContact O-N 3.02Å; L123-V127 HydrophobicContact CD1-CG2 3.67Å; L123-M346 HydrophobicContact CD1-CE 3.73Å; L123-M346 HydrophobicContact CD1-SD 4.27Å; L123-M346 HydrophobicContact CG-CE 4.44Å; L123-R387 HydrophobicContact CD1-CG 4.5Å; L123-R387 HydrophobicContact CD2-CG 4.25Å; L123-Y390 HydrophobicContact CD1-CD2 4.18Å; L123-Y390 HydrophobicContact CD1-CG 4.02Å; L123-D394 HydrophobicContact CD2-CB 3.92Å |
| 124 | A | 91.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 4% | 0.041 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H119 R126 F421 | H119-A124 PolarHBondContact O-N 2.62Å; A124-R126 PolarHBondContact O-N 3.19Å; A124-R126 PolarHBondContact O-NH1 3.26Å; A124-F421 HydrophobicContact CB-CE2 4.04Å |
| 125 | T | 94.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 4% | 0.037 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 21.7 | 178.1 | -31.9 | 0 | 0 | 0 | 0 | 114 | H119 Q120 L123 V127 A155 A156 V159 | H119-T125 VanDerWaalsContact ND1-CA 3.28Å; H119-T125 WeakPolarHBondContact ND1-CA 3.27Å; H119-T125 PolarHBondContact O-N 2.84Å; Q120-T125 WeakPolarHBondContact CA-OG1 3.16Å; Q120-T125 HydrophobicContact CB-CG2 4.28Å; Q120-T125 WeakPolarHBondContact CG-OG1 3.47Å; L123-T125 PolarHBondContact O-N 2.61Å; L123-T125 VanDerWaalsContact O-N 3.11Å; T125-V127 PolarHBondContact O-N 3.12Å; T125-A155 HydrophobicContact CG2-CB 4.49Å; T125-A156 HydrophobicContact CG2-CB 4.11Å; T125-V159 HydrophobicContact CG2-CB 4.15Å; T125-V159 HydrophobicContact CG2-CG1 4.23Å; T125-V159 HydrophobicContact CG2-CG2 4.28Å; T125-V159 WeakPolarHBondContact O-CG1 3.39Å |
| 126 | R | 95.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 11.2 Ų | 11.2 | 9% | 0.087 | 5% | 0.051 | C | C | . | . | trans | -85.8 | -0.7 | -170.9 | -65.6 | -63.5 | -175.6 | -94.8 | 5 | 115.4 | L123 A124 R128 V159 F163 L164 Y390 F393 | L123-R126 VanDerWaalsContact O-CB 3.29Å; L123-R126 WeakPolarHBondContact O-CB 3.3Å; L123-R126 VanDerWaalsContact O-CG 3.31Å; L123-R126 WeakPolarHBondContact O-CG 3.24Å; L123-R126 PolarHBondContact O-N 3.02Å; A124-R126 PolarHBondContact O-N 3.19Å; A124-R126 PolarHBondContact O-NH1 3.26Å; R126-R128 PolarHBondContact O-N 2.92Å; R126-V159 VanDerWaalsContact NH1-CG1 3.27Å; R126-F163 VanDerWaalsContact CZ-CG 3.45Å; R126-F163 VanDerWaalsContact NH1-CD2 3.34Å; R126-F163 VanDerWaalsContact NH2-CE2 3.3Å; R126-L164 HydrophobicContact CB-CD2 4.42Å; R126-L164 WeakPolarHBondContact O-CD2 3.16Å; R126-Y390 HydrophobicContact CB-CD1 4.19Å; R126-Y390 HydrophobicContact CB-CE1 4.5Å; R126-Y390 WeakPolarHBondContact O-CE1 3.47Å; R126-F393 HydrophobicContact CB-CB 4.47Å; R126-F393 HydrophobicContact CB-CD2 3.81Å; R126-F393 HydrophobicContact CB-CE2 4.14Å; R126-F393 HydrophobicContact CB-CG 4.03Å; R126-F393 HydrophobicContact CG-CB 4.24Å; R126-F393 HydrophobicContact CG-CD1 3.75Å; R126-F393 HydrophobicContact CG-CD2 3.91Å; R126-F393 HydrophobicContact CG-CE1 4.03Å; R126-F393 HydrophobicContact CG-CE2 4.17Å; R126-F393 HydrophobicContact CG-CG 3.69Å; R126-F393 HydrophobicContact CG-CZ 4.23Å | ||
| 127 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -65.6 | 127.8 | 179.6 | 174 | 0 | 0 | 0 | 0 | 111 | H119 L123 T125 L132 L164 R171 W383 Y390 | H119-V127 HydrophobicContact CB-CB 3.95Å; H119-V127 HydrophobicContact CB-CG2 3.36Å; L123-V127 HydrophobicContact CD1-CG2 3.67Å; T125-V127 PolarHBondContact O-N 3.12Å; V127-L132 HydrophobicContact CG1-CD1 4.3Å; V127-L132 HydrophobicContact CG1-CD2 3.77Å; V127-L132 HydrophobicContact CG1-CG 3.82Å; V127-L164 WeakPolarHBondContact O-CD1 3.39Å; V127-R171 PolarHBondContact O-NH1 3.25Å; V127-R171 PolarHBondContact O-NH2 2.83Å; V127-W383 HydrophobicContact CG1-CH2 3.81Å; V127-W383 HydrophobicContact CG1-CZ3 3.99Å; V127-W383 HydrophobicContact CG2-CZ3 4.33Å; V127-Y390 HydrophobicContact CG2-CD2 4.24Å; V127-Y390 HydrophobicContact CG2-CE1 4.44Å; V127-Y390 HydrophobicContact CG2-CE2 4.04Å | ||
| 128 | R | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 13 Ų | 13 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | trans | -89.4 | 155.4 | -172.5 | -68.9 | -177.5 | 60.3 | -120.8 | 5.1 | 112.5 | R126 H130 D131 L132 L164 E166 Y390 V575 D576 L578 T580 | R126-R128 PolarHBondContact O-N 2.92Å; R128-H130 PolarHBondContact O-N 3.11Å; R128-D131 PolarHBondContact O-N 3.13Å; R128-L132 WeakPolarHBondContact O-CG 3.35Å; R128-L132 PolarHBondContact O-N 3.06Å; R128-L164 HydrophobicContact CG-CD1 4.17Å; R128-L164 HydrophobicContact CG-CD2 4.01Å; R128-L164 HydrophobicContact CG-CG 4.5Å; R128-E166 WeakPolarHBondContact CB-OE1 3.49Å; R128-E166 IonicContact CZ-OE1 3.9Å; R128-E166 IonicContact NE-OE1 3.94Å; R128-E166 PolarHBondContact NE-OE1 2.85Å; R128-E166 IonicContact NH2-OE1 3.21Å; R128-E166 PolarHBondContact NH2-OE1 3.17Å; R128-Y390 WeakPolarHBondContact CB-OH 3.08Å; R128-Y390 HydrophobicContact CG-CE1 4.48Å; R128-Y390 PolarHBondContact N-OH 3.39Å; R128-V575 PolarHBondContact NH2-O 3.16Å; R128-D576 PolarHBondContact NH2-O 2.89Å; R128-L578 VanDerWaalsContact CZ-O 3.31Å; R128-L578 PolarHBondContact NH1-O 2.94Å; R128-L578 PolarHBondContact NH2-O 3.12Å; R128-T580 VanDerWaalsContact NH1-CA 3.26Å; R128-T580 PolarHBondContact NH1-OG1 3.33Å; R128-T580 VanDerWaalsContact NH1-OG1 3.09Å | ||
| 129 | T | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 13 Ų | 13 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.6 | -37.1 | 176.6 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | D131 L132 K133 E166 R171 | T129-D131 PolarHBondContact O-N 3.1Å; T129-L132 PolarHBondContact O-N 3.01Å; T129-K133 HydrophobicContact CG2-CD 3.63Å; T129-K133 HydrophobicContact CG2-CG 4.12Å; T129-K133 WeakPolarHBondContact O-CB 3.47Å; T129-K133 VanDerWaalsContact O-CG 3.26Å; T129-K133 WeakPolarHBondContact O-CG 3.33Å; T129-K133 PolarHBondContact O-N 3.42Å; T129-E166 VanDerWaalsContact CB-OE2 3.26Å; T129-E166 WeakPolarHBondContact CB-OE2 3.33Å; T129-E166 PolarHBondContact N-OE2 2.83Å; T129-E166 PolarHBondContact OG1-OE2 3.22Å; T129-R171 HydrophobicContact CG2-CB 3.96Å; T129-R171 HydrophobicContact CG2-CG 3.98Å; T129-R171 PolarHBondContact OG1-NE 3.37Å; T129-R171 PolarHBondContact OG1-NH2 2.86Å |
| 130 | H | 96.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 13 Ų | 13 | 16% | 0.162 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -52.2 | -51.6 | 177.6 | 180 | 79 | 0 | 0 | 0 | 113.4 | R128 K134 | R128-H130 PolarHBondContact O-N 3.11Å; H130-K134 VanDerWaalsContact NE2-CE 3.3Å; H130-K134 WeakPolarHBondContact NE2-CE 3.29Å; H130-K134 PolarHBondContact NE2-NZ 3.41Å; H130-K134 WeakPolarHBondContact O-CG 3.45Å; H130-K134 PolarHBondContact O-N 3.27Å |
| 131 | D | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -77.8 | -31 | -176.2 | -59.7 | -44.9 | 0 | 0 | 0 | 111.9 | R128 T129 Y382 T386 Y390 T580 | R128-D131 PolarHBondContact O-N 3.13Å; T129-D131 PolarHBondContact O-N 3.1Å; D131-Y382 PolarHBondContact O-OH 3.01Å; D131-T386 HydrophobicContact CB-CG2 3.83Å; D131-Y390 WeakPolarHBondContact OD2-CE2 3.48Å; D131-Y390 PolarHBondContact OD2-OH 2.89Å; D131-T580 WeakPolarHBondContact OD2-CB 3.37Å; D131-T580 PolarHBondContact OD2-OG1 3.3Å |
| 132 | L | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 174 | -63.1 | 169.7 | 0 | 0 | 0 | 111.1 | F115 V127 R128 T129 K134 I135 S136 L175 W383 | F115-L132 HydrophobicContact CB-CD2 4.07Å; F115-L132 HydrophobicContact CD1-CD2 4.01Å; F115-L132 HydrophobicContact CD2-CB 4.11Å; F115-L132 HydrophobicContact CD2-CD2 3.62Å; F115-L132 HydrophobicContact CD2-CG 4.31Å; F115-L132 HydrophobicContact CE1-CD2 4.35Å; F115-L132 HydrophobicContact CE2-CB 3.93Å; F115-L132 HydrophobicContact CE2-CD2 4.01Å; F115-L132 HydrophobicContact CG-CD2 3.62Å; F115-L132 HydrophobicContact CZ-CD2 4.36Å; V127-L132 HydrophobicContact CG1-CD1 4.3Å; V127-L132 HydrophobicContact CG1-CD2 3.77Å; V127-L132 HydrophobicContact CG1-CG 3.82Å; R128-L132 WeakPolarHBondContact O-CG 3.35Å; R128-L132 PolarHBondContact O-N 3.06Å; T129-L132 PolarHBondContact O-N 3.01Å; L132-K134 PolarHBondContact O-N 2.73Å; L132-I135 WeakPolarHBondContact O-CG2 3.44Å; L132-I135 PolarHBondContact O-N 2.7Å; L132-S136 PolarHBondContact O-N 2.82Å; L132-S136 VanDerWaalsContact O-N 3.16Å; L132-S136 PolarHBondContact O-OG 3.31Å; L132-L175 HydrophobicContact CB-CD1 4.48Å; L132-L175 HydrophobicContact CB-CD2 3.94Å; L132-L175 HydrophobicContact CD1-CD1 4.49Å; L132-W383 HydrophobicContact CD2-CH2 3.69Å; L132-W383 HydrophobicContact CD2-CZ2 3.99Å |
| 133 | K | 97.1 | Very high | 97 | Very high | 68 Ų | 68 | 15.9 Ų | 15.9 | 30% | 0.296 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 179.5 | -76.8 | 170.3 | 68.8 | 175.2 | 0 | 112.7 | T129 I135 S136 P137 E174 L175 L178 | T129-K133 HydrophobicContact CG2-CD 3.63Å; T129-K133 HydrophobicContact CG2-CG 4.12Å; T129-K133 WeakPolarHBondContact O-CB 3.47Å; T129-K133 VanDerWaalsContact O-CG 3.26Å; T129-K133 WeakPolarHBondContact O-CG 3.33Å; T129-K133 PolarHBondContact O-N 3.42Å; K133-I135 VanDerWaalsContact C-N 3.3Å; K133-I135 PolarHBondContact O-N 3Å; K133-S136 WeakPolarHBondContact O-CB 3.4Å; K133-S136 PolarHBondContact O-N 3.2Å; K133-P137 WeakPolarHBondContact O-CD 3.38Å; K133-E174 HydrophobicContact CD-CB 4.13Å; K133-E174 WeakPolarHBondContact CD-OE2 3.45Å; K133-E174 VanDerWaalsContact CE-OE2 3.29Å; K133-E174 WeakPolarHBondContact CE-OE2 3.14Å; K133-E174 IonicContact NZ-OE1 2.81Å; K133-E174 PolarHBondContact NZ-OE1 3.02Å; K133-E174 VanDerWaalsContact NZ-OE1 3.09Å; K133-E174 IonicContact NZ-OE2 3.36Å; K133-E174 PolarHBondContact NZ-OE2 3.41Å; K133-L175 HydrophobicContact CG-CD2 4.04Å; K133-L178 HydrophobicContact CB-CD1 3.91Å; K133-L178 HydrophobicContact CG-CD1 3.91Å |
| 134 | K | 96.7 | Very high | 97 | Very high | 72 Ų | 72 | 17 Ų | 17 | 31% | 0.313 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -58 | -41.2 | -178 | -82.4 | -176.3 | 170.8 | -167.6 | 0 | 112.9 | V74 H130 L132 Y382 | V74-K134 VanDerWaalsContact CG1-O 3.27Å; V74-K134 WeakPolarHBondContact CG1-O 3.32Å; V74-K134 HydrophobicContact CG2-CB 3.91Å; V74-K134 HydrophobicContact CG2-CD 4.46Å; V74-K134 HydrophobicContact CG2-CG 4.45Å; H130-K134 VanDerWaalsContact NE2-CE 3.3Å; H130-K134 WeakPolarHBondContact NE2-CE 3.29Å; H130-K134 PolarHBondContact NE2-NZ 3.41Å; H130-K134 WeakPolarHBondContact O-CG 3.45Å; H130-K134 PolarHBondContact O-N 3.27Å; L132-K134 PolarHBondContact O-N 2.73Å; K134-Y382 HydrophobicContact CB-CE2 4.44Å; K134-Y382 WeakPolarHBondContact CB-OH 3.29Å |
| 135 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -90.8 | -12.2 | -178.5 | -162.6 | 61.6 | 0 | 0 | 0 | 113.5 | P75 F115 L132 K133 F138 V139 Y379 Y382 W383 | P75-I135 HydrophobicContact CG-CD1 4.19Å; F115-I135 HydrophobicContact CE1-CG2 4.04Å; F115-I135 HydrophobicContact CZ-CG2 3.75Å; L132-I135 WeakPolarHBondContact O-CG2 3.44Å; L132-I135 PolarHBondContact O-N 2.7Å; K133-I135 VanDerWaalsContact C-N 3.3Å; K133-I135 PolarHBondContact O-N 3Å; I135-F138 HydrophobicContact CD1-CB 3.93Å; I135-F138 HydrophobicContact CD1-CD1 4.2Å; I135-F138 HydrophobicContact CD1-CG 4.26Å; I135-F138 HydrophobicContact CG1-CB 4.49Å; I135-F138 WeakPolarHBondContact O-CB 3.48Å; I135-F138 PolarHBondContact O-N 3.36Å; I135-V139 PolarHBondContact O-N 2.97Å; I135-V139 VanDerWaalsContact O-N 3.16Å; I135-Y379 HydrophobicContact CD1-CD2 4.22Å; I135-Y379 HydrophobicContact CG1-CD2 3.72Å; I135-Y379 HydrophobicContact CG1-CE2 3.67Å; I135-Y379 HydrophobicContact CG2-CE2 4.42Å; I135-Y382 HydrophobicContact CB-CD1 3.71Å; I135-Y382 HydrophobicContact CB-CE1 3.47Å; I135-Y382 VanDerWaalsContact CB-CE1 3.47Å; I135-Y382 HydrophobicContact CB-CE2 4.42Å; I135-Y382 HydrophobicContact CB-CG 4.28Å; I135-Y382 HydrophobicContact CD1-CD1 3.73Å; I135-Y382 HydrophobicContact CD1-CD2 4.02Å; I135-Y382 HydrophobicContact CD1-CE1 4.34Å; I135-Y382 HydrophobicContact CD1-CG 3.54Å; I135-Y382 HydrophobicContact CG1-CD1 3.59Å; I135-Y382 HydrophobicContact CG1-CE1 3.93Å; I135-Y382 HydrophobicContact CG1-CG 3.98Å; I135-Y382 HydrophobicContact CG2-CD1 4.18Å; I135-Y382 HydrophobicContact CG2-CE1 3.72Å; I135-W383 HydrophobicContact CG2-CZ2 4.08Å |
| 136 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.5 | -45.8 | -176.4 | -70.5 | 0 | 0 | 0 | 0 | 114.6 | L132 K133 F138 V139 S140 L175 | L132-S136 PolarHBondContact O-N 2.82Å; L132-S136 VanDerWaalsContact O-N 3.16Å; L132-S136 PolarHBondContact O-OG 3.31Å; K133-S136 WeakPolarHBondContact O-CB 3.4Å; K133-S136 PolarHBondContact O-N 3.2Å; S136-F138 VanDerWaalsContact C-N 3.26Å; S136-F138 PolarHBondContact O-N 2.94Å; S136-V139 PolarHBondContact O-N 3.49Å; S136-S140 PolarHBondContact O-N 2.84Å; S136-L175 WeakPolarHBondContact OG-CD2 3.4Å |
| 137 | P | 97.7 | Very high | 97.5 | Very high | 40 Ų | 40 | 17.3 Ų | 17.3 | 26% | 0.26 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -58.5 | -38.2 | 175.6 | -25.5 | 35.6 | 0 | 0 | 0 | 112.8 | V77 K133 V139 S140 H141 L178 | V77-P137 HydrophobicContact CG1-CB 4.45Å; V77-P137 HydrophobicContact CG2-CB 4.43Å; K133-P137 WeakPolarHBondContact O-CD 3.38Å; P137-V139 PolarHBondContact O-N 3.46Å; P137-S140 PolarHBondContact O-N 3.13Å; P137-H141 PolarHBondContact O-CD2 3Å; P137-H141 PolarHBondContact O-N 3.02Å; P137-L178 HydrophobicContact CG-CD2 4.29Å |
| 138 | F | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 178.1 | -175.7 | -96.7 | 0 | 0 | 0 | 112 | P75 V77 I135 S136 H141 N142 F143 K375 D378 Y379 | P75-F138 HydrophobicContact CB-CD2 3.61Å; P75-F138 HydrophobicContact CB-CE2 3.58Å; P75-F138 HydrophobicContact CB-CG 4.26Å; P75-F138 HydrophobicContact CB-CZ 4.21Å; P75-F138 HydrophobicContact CG-CD2 4.27Å; P75-F138 HydrophobicContact CG-CE2 4.31Å; P75-F138 HydrophobicContact CG-CG 4.45Å; V77-F138 VanDerWaalsContact CG1-CA 3.45Å; V77-F138 HydrophobicContact CG1-CB 3.92Å; V77-F138 HydrophobicContact CG1-CD2 3.96Å; V77-F138 HydrophobicContact CG1-CG 4.43Å; I135-F138 HydrophobicContact CD1-CB 3.93Å; I135-F138 HydrophobicContact CD1-CD1 4.2Å; I135-F138 HydrophobicContact CD1-CG 4.26Å; I135-F138 HydrophobicContact CG1-CB 4.49Å; I135-F138 WeakPolarHBondContact O-CB 3.48Å; I135-F138 PolarHBondContact O-N 3.36Å; S136-F138 VanDerWaalsContact C-N 3.26Å; S136-F138 PolarHBondContact O-N 2.94Å; F138-H141 PolarHBondContact O-N 3.16Å; F138-N142 VanDerWaalsContact CD2-ND2 3.29Å; F138-N142 WeakPolarHBondContact CD2-ND2 3.3Å; F138-N142 HydrophobicContact CE1-CB 4.42Å; F138-N142 VanDerWaalsContact CE2-ND2 3.29Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.31Å; F138-N142 HydrophobicContact CZ-CB 4.33Å; F138-N142 WeakPolarHBondContact O-CB 3.33Å; F138-N142 PolarHBondContact O-N 3.36Å; F138-N142 PolarHBondContact O-ND2 3.35Å; F138-F143 HydrophobicContact CD1-CE2 4.14Å; F138-F143 AromaticContact CE1-CE2 3.75Å; F138-F143 HydrophobicContact CE1-CE2 3.75Å; F138-K375 HydrophobicContact CE2-CD 4.46Å; F138-K375 HydrophobicContact CZ-CB 4.36Å; F138-K375 HydrophobicContact CZ-CD 4.04Å; F138-D378 HydrophobicContact CE1-CB 4.19Å; F138-D378 HydrophobicContact CE2-CB 4.2Å; F138-D378 HydrophobicContact CZ-CB 3.53Å; F138-Y379 HydrophobicContact CD1-CD2 4.47Å |
| 139 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | F115 I135 S136 P137 H141 N142 F143 I179 Y379 | F115-V139 HydrophobicContact CE1-CG2 4.18Å; F115-V139 HydrophobicContact CZ-CG2 4.23Å; I135-V139 PolarHBondContact O-N 2.97Å; I135-V139 VanDerWaalsContact O-N 3.16Å; S136-V139 PolarHBondContact O-N 3.49Å; P137-V139 PolarHBondContact O-N 3.46Å; V139-H141 VanDerWaalsContact C-N 3.31Å; V139-H141 PolarHBondContact O-N 3.3Å; V139-N142 PolarHBondContact O-N 2.9Å; V139-F143 HydrophobicContact CG1-CB 4.33Å; V139-F143 WeakPolarHBondContact O-CA 3.37Å; V139-F143 WeakPolarHBondContact O-CB 3.44Å; V139-F143 PolarHBondContact O-N 2.97Å; V139-I179 HydrophobicContact CB-CD1 4.42Å; V139-I179 HydrophobicContact CG1-CD1 4.46Å; V139-Y379 HydrophobicContact CG2-CD2 4.39Å; V139-Y379 HydrophobicContact CG2-CE2 3.68Å |
| 140 | S | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.6 | -40.2 | -179.4 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | P82 S136 P137 L178 N181 | P82-S140 WeakPolarHBondContact CB-OG 3.3Å; P82-S140 VanDerWaalsContact CG-OG 3.27Å; P82-S140 WeakPolarHBondContact CG-OG 3.22Å; S136-S140 PolarHBondContact O-N 2.84Å; P137-S140 PolarHBondContact O-N 3.13Å; S140-L178 WeakPolarHBondContact CB-O 3.47Å; S140-N181 PolarHBondContact O-ND2 2.76Å; S140-N181 PolarHBondContact OG-OD1 3.17Å |
| 141 | H | 97.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 15.5 Ų | 15.5 | 16% | 0.162 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -80 | -38.5 | -178.6 | -81.6 | -100.5 | 0 | 0 | 0 | 114.3 | T78 G80 P137 F138 V139 | T78-H141 PolarHBondContact O-CE1 3.43Å; T78-H141 VanDerWaalsContact O-CE1 3.29Å; G80-H141 PolarHBondContact O-CE1 3.08Å; G80-H141 VanDerWaalsContact O-CE1 3.3Å; G80-H141 PolarHBondContact O-NE2 2.93Å; P137-H141 PolarHBondContact O-CD2 3Å; P137-H141 PolarHBondContact O-N 3.02Å; F138-H141 PolarHBondContact O-N 3.16Å; V139-H141 VanDerWaalsContact C-N 3.31Å; V139-H141 PolarHBondContact O-N 3.3Å |
| 142 | N | 97.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 15.5 Ų | 15.5 | 21% | 0.214 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -104.3 | -13 | -168.4 | -63.3 | -84.7 | 0 | 0 | 0 | 114.2 | F138 V139 K375 | F138-N142 VanDerWaalsContact CD2-ND2 3.29Å; F138-N142 WeakPolarHBondContact CD2-ND2 3.3Å; F138-N142 HydrophobicContact CE1-CB 4.42Å; F138-N142 VanDerWaalsContact CE2-ND2 3.29Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.31Å; F138-N142 HydrophobicContact CZ-CB 4.33Å; F138-N142 WeakPolarHBondContact O-CB 3.33Å; F138-N142 PolarHBondContact O-N 3.36Å; F138-N142 PolarHBondContact O-ND2 3.35Å; V139-N142 PolarHBondContact O-N 2.9Å; N142-K375 HydrophobicContact CB-CB 4.13Å; N142-K375 HydrophobicContact CB-CD 4.39Å; N142-K375 HydrophobicContact CB-CG 4.11Å; N142-K375 WeakPolarHBondContact OD1-CD 2.97Å; N142-K375 WeakPolarHBondContact OD1-CE 3.35Å |
| 143 | F | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -125.8 | 34.8 | -177.7 | -62.2 | -92.4 | 0 | 0 | 0 | 111.6 | F138 V139 N145 L146 M355 I371 K375 V376 Y379 | F138-F143 HydrophobicContact CD1-CE2 4.14Å; F138-F143 AromaticContact CE1-CE2 3.75Å; F138-F143 HydrophobicContact CE1-CE2 3.75Å; V139-F143 HydrophobicContact CG1-CB 4.33Å; V139-F143 WeakPolarHBondContact O-CA 3.37Å; V139-F143 WeakPolarHBondContact O-CB 3.44Å; V139-F143 PolarHBondContact O-N 2.97Å; F143-N145 PolarHBondContact O-N 3.45Å; F143-L146 HydrophobicContact CB-CD1 3.6Å; F143-L146 HydrophobicContact CB-CG 3.84Å; F143-L146 HydrophobicContact CG-CD1 4.39Å; F143-L146 WeakPolarHBondContact O-CB 3.36Å; F143-L146 WeakPolarHBondContact O-CG 3.44Å; F143-L146 PolarHBondContact O-N 2.94Å; F143-L146 VanDerWaalsContact O-N 3.12Å; F143-M355 HydrophobicContact CD1-SD 4.31Å; F143-M355 HydrophobicContact CE1-SD 3.66Å; F143-M355 HydrophobicContact CZ-SD 4.42Å; F143-I371 HydrophobicContact CD1-CD1 4.48Å; F143-I371 HydrophobicContact CD1-CG2 4.1Å; F143-I371 HydrophobicContact CE1-CG2 3.86Å; F143-K375 HydrophobicContact CZ-CB 4.42Å; F143-V376 HydrophobicContact CE1-CG2 4.14Å; F143-V376 HydrophobicContact CZ-CG2 4.45Å; F143-Y379 HydrophobicContact CE1-CD1 4.44Å; F143-Y379 HydrophobicContact CE2-CD1 4.02Å; F143-Y379 HydrophobicContact CE2-CG 4.12Å; F143-Y379 AromaticContact CZ-CD1 3.76Å; F143-Y379 HydrophobicContact CZ-CD1 3.76Å; F143-Y379 HydrophobicContact CZ-CG 4.13Å | ||
| 144 | S | 94.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 12.9 Ų | 12.9 | 15% | 0.154 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.9 | 179.7 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | G85 N181 | G85-S144 VanDerWaalsContact CA-O 3.24Å; G85-S144 WeakPolarHBondContact CA-O 3.37Å; S144-N181 WeakPolarHBondContact CB-ND2 3.33Å |
| 145 | N | 94.1 | Very high | 96.4 | Very high | 42 Ų | 42 | 10 Ų | 10 | 23% | 0.225 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4.5 | 176.6 | 68.2 | -37 | 0 | 0 | 0 | 114.3 | F143 T369 I371 | F143-N145 PolarHBondContact O-N 3.45Å; N145-T369 PolarHBondContact ND2-O 2.92Å; N145-I371 VanDerWaalsContact ND2-CG1 3.33Å; N145-I371 WeakPolarHBondContact ND2-CG1 3.21Å |
| 146 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -59.6 | 141.1 | 169.7 | -73 | 173.3 | 0 | 0 | 0 | 110.3 | L110 D112 F143 S148 V182 I371 | L110-L146 HydrophobicContact CB-CD2 3.93Å; L110-L146 WeakPolarHBondContact O-CD2 3.39Å; D112-L146 HydrophobicContact CB-CD1 3.9Å; D112-L146 HydrophobicContact CB-CD2 4.44Å; F143-L146 HydrophobicContact CB-CD1 3.6Å; F143-L146 HydrophobicContact CB-CG 3.84Å; F143-L146 HydrophobicContact CG-CD1 4.39Å; F143-L146 WeakPolarHBondContact O-CB 3.36Å; F143-L146 WeakPolarHBondContact O-CG 3.44Å; F143-L146 PolarHBondContact O-N 2.94Å; F143-L146 VanDerWaalsContact O-N 3.12Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-V182 HydrophobicContact CB-CG1 4.01Å; L146-I371 HydrophobicContact CD2-CD1 4.24Å | ||
| 147 | F | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -58.8 | -48 | 170.1 | 161.6 | -101 | 0 | 0 | 0 | 110.1 | F98 V102 L109 L110 M111 P183 Q185 I218 I282 H314 V338 | F98-F147 HydrophobicContact CE1-CD2 4.42Å; F98-F147 AromaticContact CE1-CE2 3.61Å; F98-F147 HydrophobicContact CE1-CE2 3.61Å; F98-F147 HydrophobicContact CE1-CZ 4.15Å; F98-F147 AromaticContact CZ-CD2 3.81Å; F98-F147 HydrophobicContact CZ-CD2 3.81Å; F98-F147 AromaticContact CZ-CE2 3.43Å; F98-F147 HydrophobicContact CZ-CE2 3.43Å; F98-F147 VanDerWaalsContact CZ-CE2 3.43Å; F98-F147 HydrophobicContact CZ-CZ 4.16Å; V102-F147 HydrophobicContact CG1-CD2 4.16Å; V102-F147 HydrophobicContact CG1-CE2 4.17Å; V102-F147 HydrophobicContact CG2-CD2 3.77Å; V102-F147 HydrophobicContact CG2-CE2 3.78Å; L109-F147 HydrophobicContact CB-CB 3.97Å; L109-F147 HydrophobicContact CD1-CB 4.45Å; L110-F147 PolarHBondContact O-N 3.09Å; M111-F147 HydrophobicContact CB-CD1 4.17Å; M111-F147 HydrophobicContact CG-CD1 4.49Å; F147-P183 WeakPolarHBondContact O-CD 3.3Å; F147-P183 VanDerWaalsContact O-CG 3.26Å; F147-P183 WeakPolarHBondContact O-CG 3.47Å; F147-Q185 VanDerWaalsContact CE1-OE1 3.25Å; F147-I218 HydrophobicContact CE1-CD1 3.96Å; F147-I218 HydrophobicContact CE2-CD1 4.31Å; F147-I218 HydrophobicContact CZ-CD1 3.73Å; F147-I282 HydrophobicContact CE2-CD1 3.55Å; F147-I282 HydrophobicContact CZ-CD1 3.44Å; F147-I282 VanDerWaalsContact CZ-CD1 3.44Å; F147-H314 AromaticContact CD1-CE1 3.69Å; F147-H314 AromaticContact CE1-CE1 3.37Å; F147-H314 WeakPolarHBondContact CE1-CE1 3.5Å; F147-H314 AromaticContact CE1-ND1 3.45Å; F147-H314 WeakPolarHBondContact CE1-ND1 3.31Å; F147-V338 HydrophobicContact CB-CG1 3.74Å; F147-V338 HydrophobicContact CB-CG2 4.22Å; F147-V338 HydrophobicContact CD1-CG1 3.67Å; F147-V338 HydrophobicContact CD1-CG2 4.29Å; F147-V338 HydrophobicContact CD2-CG1 4.48Å; F147-V338 HydrophobicContact CD2-CG2 3.74Å; F147-V338 HydrophobicContact CE1-CG1 4.38Å; F147-V338 HydrophobicContact CE2-CG2 4.14Å; F147-V338 HydrophobicContact CG-CB 4.43Å; F147-V338 HydrophobicContact CG-CG1 3.71Å; F147-V338 HydrophobicContact CG-CG2 3.82Å |
| 148 | S | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 167 | 174.3 | 66 | 0 | 0 | 0 | 0 | 111.2 | M111 D112 L146 P183 Q185 | M111-S148 WeakPolarHBondContact CA-O 3.35Å; M111-S148 WeakPolarHBondContact CG-O 3.32Å; M111-S148 WeakPolarHBondContact CG-OG 3.26Å; D112-S148 PolarHBondContact N-O 2.99Å; L146-S148 VanDerWaalsContact C-N 3.3Å; S148-P183 CarbonylContact C-O 3.58Å; S148-P183 VanDerWaalsContact CA-O 3.27Å; S148-P183 WeakPolarHBondContact CA-O 3.34Å; S148-P183 WeakPolarHBondContact CB-O 3.47Å; S148-Q185 PolarHBondContact OG-OE1 3.5Å |
| 149 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.1 | 168.8 | 177.6 | 67.4 | 0 | 0 | 0 | 107.9 | D112 F115 N151 I179 V182 P183 F184 Q185 | D112-L149 HydrophobicContact CB-CD1 3.8Å; F115-L149 HydrophobicContact CB-CD1 4.13Å; F115-L149 HydrophobicContact CB-CG 4.37Å; F115-L149 HydrophobicContact CD1-CD1 3.85Å; F115-L149 HydrophobicContact CD1-CD2 4.39Å; F115-L149 HydrophobicContact CD2-CD2 3.88Å; F115-L149 HydrophobicContact CE1-CD1 4.44Å; F115-L149 HydrophobicContact CE2-CD2 4.09Å; F115-L149 HydrophobicContact CG-CD1 3.95Å; F115-L149 HydrophobicContact CG-CD2 4.04Å; F115-L149 HydrophobicContact CG-CG 4.27Å; F115-L149 HydrophobicContact CZ-CD2 4.45Å; L149-N151 HydrophobicContact CG-CB 4.33Å; L149-N151 PolarHBondContact O-N 2.98Å; L149-I179 HydrophobicContact CD2-CD1 3.6Å; L149-V182 HydrophobicContact CB-CG1 4.14Å; L149-P183 PolarHBondContact N-O 3.15Å; L149-F184 HydrophobicContact CB-CD1 4.4Å; L149-F184 HydrophobicContact CD2-CE1 4.01Å; L149-Q185 PolarHBondContact O-N 3.43Å |
| 150 | E | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 112.6 | 174.3 | -167 | -166.6 | -125.9 | 0 | 0 | 109.5 | M111 D112 F115 R116 D117 Q185 R220 | M111-E150 HydrophobicContact CE-CB 3.56Å; M111-E150 HydrophobicContact CE-CG 4.24Å; M111-E150 HydrophobicContact SD-CB 3.97Å; D112-E150 PolarHBondContact O-N 3.27Å; F115-E150 CarbonylContact C-O 3.57Å; F115-E150 WeakPolarHBondContact CB-O 3.48Å; R116-E150 HydrophobicContact CB-CG 4.07Å; R116-E150 VanDerWaalsContact CB-O 3.25Å; R116-E150 WeakPolarHBondContact CB-O 3.43Å; R116-E150 HydrophobicContact CG-CG 4.43Å; R116-E150 IonicContact CZ-OE1 3.78Å; R116-E150 IonicContact CZ-OE2 2.7Å; R116-E150 PolarHBondContact N-O 3.12Å; R116-E150 VanDerWaalsContact NE-CD 3.29Å; R116-E150 IonicContact NE-OE1 2.67Å; R116-E150 IonicContact NE-OE2 2.76Å; R116-E150 PolarHBondContact NE-OE2 2.89Å; R116-E150 IonicContact NH2-OE1 2.72Å; R116-E150 PolarHBondContact NH2-OE1 2.86Å; R116-E150 IonicContact NH2-OE2 3.63Å; R116-E150 PolarHBondContact NH2-OE2 3Å; D117-E150 WeakPolarHBondContact CB-OE2 3.26Å; E150-Q185 WeakPolarHBondContact CA-O 3.28Å; E150-Q185 HydrophobicContact CB-CB 4.39Å; E150-Q185 HydrophobicContact CG-CG 4.43Å; E150-R220 IonicContact OE1-NH1 3.06Å |
| 151 | N | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.011 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 5.4 | -170.7 | 64.7 | 20 | 0 | 0 | 0 | 114.2 | F115 L149 L175 F184 Q185 | F115-N151 HydrophobicContact CB-CB 3.65Å; F115-N151 HydrophobicContact CD2-CB 4.26Å; F115-N151 HydrophobicContact CG-CB 4.41Å; L149-N151 HydrophobicContact CG-CB 4.33Å; L149-N151 PolarHBondContact O-N 2.98Å; N151-L175 HydrophobicContact CB-CD1 4.46Å; N151-F184 WeakPolarHBondContact ND2-CD1 3.43Å; N151-F184 WeakPolarHBondContact ND2-CD2 3.17Å; N151-F184 WeakPolarHBondContact ND2-CE1 2.95Å; N151-F184 WeakPolarHBondContact ND2-CE2 3.36Å; N151-F184 WeakPolarHBondContact ND2-CG 3.26Å; N151-F184 WeakPolarHBondContact ND2-CZ 3.42Å; N151-Q185 PolarHBondContact N-O 2.81Å; N151-Q185 VanDerWaalsContact N-O 3.17Å |
| 152 | W | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 172.8 | -172.6 | -131.3 | 65.5 | 0 | 0 | 0 | 114.1 | F157 P168 W169 L172 M186 L187 F207 A211 M216 | W152-F157 AromaticContact CH2-CD2 3.58Å; W152-F157 HydrophobicContact CH2-CD2 3.58Å; W152-F157 AromaticContact CH2-CE2 3.43Å; W152-F157 HydrophobicContact CH2-CE2 3.43Å; W152-F157 VanDerWaalsContact CH2-CE2 3.43Å; W152-F157 AromaticContact CZ2-CD2 3.72Å; W152-F157 HydrophobicContact CZ2-CD2 3.72Å; W152-F157 AromaticContact CZ2-CE2 3.77Å; W152-F157 HydrophobicContact CZ2-CE2 3.77Å; W152-F157 HydrophobicContact CZ3-CD2 4.06Å; W152-F157 HydrophobicContact CZ3-CE2 4.19Å; W152-P168 HydrophobicContact CZ2-CB 3.9Å; W152-P168 WeakPolarHBondContact CZ2-O 3.37Å; W152-P168 PolarHBondContact NE1-O 2.81Å; W152-W169 AromaticContact CH2-CD2 3.69Å; W152-W169 HydrophobicContact CH2-CD2 3.69Å; W152-W169 AromaticContact CH2-CE2 3.93Å; W152-W169 AromaticContact CH2-CE3 3.45Å; W152-W169 HydrophobicContact CH2-CE3 3.45Å; W152-W169 VanDerWaalsContact CH2-CE3 3.45Å; W152-W169 HydrophobicContact CH2-CG 4.48Å; W152-W169 AromaticContact CH2-CH2 3.72Å; W152-W169 HydrophobicContact CH2-CH2 3.72Å; W152-W169 AromaticContact CH2-CZ2 3.95Å; W152-W169 HydrophobicContact CH2-CZ2 3.95Å; W152-W169 AromaticContact CH2-CZ3 3.46Å; W152-W169 HydrophobicContact CH2-CZ3 3.46Å; W152-W169 VanDerWaalsContact CH2-CZ3 3.46Å; W152-W169 AromaticContact CZ2-CD2 3.99Å; W152-W169 HydrophobicContact CZ2-CD2 3.99Å; W152-W169 AromaticContact CZ2-CE3 3.97Å; W152-W169 HydrophobicContact CZ2-CE3 3.97Å; W152-W169 HydrophobicContact CZ2-CG 4.34Å; W152-W169 HydrophobicContact CZ2-CZ3 4.41Å; W152-W169 HydrophobicContact CZ3-CE3 4.43Å; W152-W169 HydrophobicContact CZ3-CH2 4.22Å; W152-W169 HydrophobicContact CZ3-CZ3 4.07Å; W152-L172 HydrophobicContact CD2-CB 4.5Å; W152-L172 HydrophobicContact CD2-CD2 4.23Å; W152-L172 HydrophobicContact CE3-CD2 4.31Å; W152-L172 HydrophobicContact CH2-CD2 4.29Å; W152-L172 HydrophobicContact CZ2-CB 4.23Å; W152-L172 HydrophobicContact CZ2-CD2 4.23Å; W152-L172 HydrophobicContact CZ3-CD2 4.34Å; W152-M186 HydrophobicContact CB-CB 4.1Å; W152-M186 HydrophobicContact CE3-CE 4.38Å; W152-M186 HydrophobicContact CE3-SD 4.27Å; W152-M186 VanDerWaalsContact O-CA 3.28Å; W152-M186 WeakPolarHBondContact O-CA 3.5Å; W152-M186 WeakPolarHBondContact O-CB 3.39Å; W152-L187 PolarHBondContact O-N 3.16Å; W152-F207 HydrophobicContact CH2-CZ 4.33Å; W152-F207 HydrophobicContact CZ3-CE1 4.33Å; W152-F207 AromaticContact CZ3-CZ 3.76Å; W152-F207 HydrophobicContact CZ3-CZ 3.76Å; W152-A211 HydrophobicContact CZ3-CB 4.4Å; W152-M216 HydrophobicContact CB-CE 3.46Å; W152-M216 VanDerWaalsContact CB-CE 3.46Å; W152-M216 HydrophobicContact CD2-CE 4.36Å; W152-M216 HydrophobicContact CE3-CE 4.22Å; W152-M216 HydrophobicContact CG-CE 4.11Å |
| 153 | G | 92.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | -178.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A155 A156 L187 | G153-A155 PolarHBondContact O-N 3.37Å; G153-A156 WeakPolarHBondContact O-CB 3.3Å; G153-A156 PolarHBondContact O-N 3.34Å; G153-L187 WeakPolarHBondContact CA-O 3.49Å |
| 154 | D | 86.9 | Confident | 95.2 | Very high | 14 Ų | 14 | 12.6 Ų | 12.6 | 8% | 0.075 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.4 | -132.5 | -174.5 | -166.5 | 22.5 | 0 | 0 | 0 | 113.2 | R116 Q120 A156 F157 L187 | R116-D154 IonicContact NH1-OD2 3.58Å; Q120-D154 PolarHBondContact NE2-OD2 3.24Å; D154-A156 PolarHBondContact O-N 3.38Å; D154-F157 PolarHBondContact O-N 3.27Å; D154-L187 HydrophobicContact CB-CB 4.29Å; D154-L187 HydrophobicContact CB-CD2 3.95Å; D154-L187 HydrophobicContact CB-CG 4.39Å; D154-L187 PolarHBondContact N-O 3.21Å |
| 155 | A | 86.8 | Confident | 95.3 | Very high | 12 Ų | 12 | 12 Ų | 12 | 10% | 0.099 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.6 | -22.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T125 G153 F157 D158 V159 | T125-A155 HydrophobicContact CG2-CB 4.49Å; G153-A155 PolarHBondContact O-N 3.37Å; A155-F157 PolarHBondContact O-N 3.24Å; A155-D158 PolarHBondContact O-N 2.83Å; A155-V159 HydrophobicContact CB-CG2 4.4Å; A155-V159 VanDerWaalsContact O-CB 3.25Å; A155-V159 WeakPolarHBondContact O-CB 3.49Å; A155-V159 WeakPolarHBondContact O-CG2 3.46Å; A155-V159 PolarHBondContact O-N 3.2Å |
| 156 | A | 91.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 5% | 0.05 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.3 | -31.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R116 T125 G153 D154 A160 | R116-A156 HydrophobicContact CG-CB 4.31Å; T125-A156 HydrophobicContact CG2-CB 4.11Å; G153-A156 WeakPolarHBondContact O-CB 3.3Å; G153-A156 PolarHBondContact O-N 3.34Å; D154-A156 PolarHBondContact O-N 3.38Å; A156-A160 VanDerWaalsContact O-CB 3.25Å; A156-A160 WeakPolarHBondContact O-CB 3.37Å; A156-A160 PolarHBondContact O-N 3.1Å; A156-A160 VanDerWaalsContact O-N 3.1Å |
| 157 | F | 95 | Very high | 95.2 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68 | -51.5 | 178.6 | -165.8 | -83.1 | 0 | 0 | 0 | 112.2 | W152 D154 A155 M161 P168 W169 V194 F207 Y558 | W152-F157 AromaticContact CH2-CD2 3.58Å; W152-F157 HydrophobicContact CH2-CD2 3.58Å; W152-F157 AromaticContact CH2-CE2 3.43Å; W152-F157 HydrophobicContact CH2-CE2 3.43Å; W152-F157 VanDerWaalsContact CH2-CE2 3.43Å; W152-F157 AromaticContact CZ2-CD2 3.72Å; W152-F157 HydrophobicContact CZ2-CD2 3.72Å; W152-F157 AromaticContact CZ2-CE2 3.77Å; W152-F157 HydrophobicContact CZ2-CE2 3.77Å; W152-F157 HydrophobicContact CZ3-CD2 4.06Å; W152-F157 HydrophobicContact CZ3-CE2 4.19Å; D154-F157 PolarHBondContact O-N 3.27Å; A155-F157 PolarHBondContact O-N 3.24Å; F157-M161 HydrophobicContact CD1-CE 3.7Å; F157-M161 HydrophobicContact CE1-CE 3.48Å; F157-M161 VanDerWaalsContact CE1-CE 3.48Å; F157-M161 HydrophobicContact CZ-CE 4.48Å; F157-P168 HydrophobicContact CD1-CG 4.28Å; F157-P168 HydrophobicContact CD2-CB 3.85Å; F157-P168 HydrophobicContact CD2-CG 3.75Å; F157-P168 HydrophobicContact CE1-CG 4.22Å; F157-P168 HydrophobicContact CE2-CB 4.16Å; F157-P168 HydrophobicContact CE2-CG 3.68Å; F157-P168 HydrophobicContact CG-CB 4.28Å; F157-P168 HydrophobicContact CG-CG 4.06Å; F157-P168 HydrophobicContact CZ-CG 3.93Å; F157-W169 HydrophobicContact CE2-CD2 4.31Å; F157-W169 AromaticContact CE2-CE2 3.54Å; F157-W169 HydrophobicContact CE2-CH2 4.48Å; F157-W169 AromaticContact CE2-CZ2 3.63Å; F157-W169 HydrophobicContact CE2-CZ2 3.63Å; F157-W169 AromaticContact CE2-NE1 3.51Å; F157-W169 AromaticContact CZ-CE2 3.73Å; F157-W169 AromaticContact CZ-CZ2 3.83Å; F157-W169 HydrophobicContact CZ-CZ2 3.83Å; F157-W169 AromaticContact CZ-NE1 3.35Å; F157-W169 VanDerWaalsContact CZ-NE1 3.35Å; F157-V194 HydrophobicContact CB-CB 4.1Å; F157-V194 HydrophobicContact CB-CG1 4.45Å; F157-V194 HydrophobicContact CB-CG2 4.17Å; F157-V194 HydrophobicContact CD1-CG2 3.89Å; F157-V194 HydrophobicContact CD2-CG2 4.21Å; F157-V194 HydrophobicContact CE1-CG2 4.31Å; F157-V194 HydrophobicContact CG-CB 4.29Å; F157-V194 HydrophobicContact CG-CG2 3.82Å; F157-F207 HydrophobicContact CD2-CE2 4.41Å; F157-F207 HydrophobicContact CD2-CZ 4.35Å; F157-F207 AromaticContact CE2-CE2 3.92Å; F157-F207 HydrophobicContact CE2-CE2 3.92Å; F157-F207 HydrophobicContact CE2-CZ 4.22Å; F157-F207 HydrophobicContact CZ-CE2 4.16Å; F157-Y558 AromaticContact CD1-CD2 3.83Å; F157-Y558 HydrophobicContact CD1-CD2 3.83Å; F157-Y558 AromaticContact CD1-CE2 3.81Å; F157-Y558 HydrophobicContact CD1-CE2 3.81Å; F157-Y558 AromaticContact CE1-CD2 4Å; F157-Y558 HydrophobicContact CE1-CD2 4Å; F157-Y558 HydrophobicContact CE1-CE2 4.38Å |
| 158 | D | 94.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 11.6 Ų | 11.6 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 176.9 | 177.9 | 55.6 | 0 | 0 | 0 | 111.3 | A155 A160 M161 R162 Y196 Y558 | A155-D158 PolarHBondContact O-N 2.83Å; D158-A160 VanDerWaalsContact C-N 3.34Å; D158-A160 PolarHBondContact O-N 2.79Å; D158-M161 PolarHBondContact O-N 3.32Å; D158-R162 WeakPolarHBondContact O-CB 3.28Å; D158-R162 PolarHBondContact O-N 2.75Å; D158-R162 IonicContact OD1-CZ 3.48Å; D158-R162 VanDerWaalsContact OD1-CZ 3.26Å; D158-R162 IonicContact OD1-NE 3.3Å; D158-R162 PolarHBondContact OD1-NE 3.29Å; D158-R162 IonicContact OD1-NH2 3.94Å; D158-R162 PolarHBondContact OD1-NH2 2.72Å; D158-R162 IonicContact OD2-CZ 2.57Å; D158-R162 IonicContact OD2-NE 3.26Å; D158-R162 PolarHBondContact OD2-NE 3.21Å; D158-R162 IonicContact OD2-NH2 2.77Å; D158-R162 PolarHBondContact OD2-NH2 2.7Å; D158-Y196 HydrophobicContact CB-CE2 4.43Å; D158-Y558 HydrophobicContact CB-CE1 3.95Å; D158-Y558 HydrophobicContact CB-CE2 4.3Å |
| 159 | V | 94.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 5% | 0.048 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | -174.1 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | T125 R126 A155 M161 F163 L164 | T125-V159 HydrophobicContact CG2-CB 4.15Å; T125-V159 HydrophobicContact CG2-CG1 4.23Å; T125-V159 HydrophobicContact CG2-CG2 4.28Å; T125-V159 WeakPolarHBondContact O-CG1 3.39Å; R126-V159 VanDerWaalsContact NH1-CG1 3.27Å; A155-V159 HydrophobicContact CB-CG2 4.4Å; A155-V159 VanDerWaalsContact O-CB 3.25Å; A155-V159 WeakPolarHBondContact O-CB 3.49Å; A155-V159 WeakPolarHBondContact O-CG2 3.46Å; A155-V159 PolarHBondContact O-N 3.2Å; V159-M161 VanDerWaalsContact C-N 3.33Å; V159-M161 PolarHBondContact O-N 3.49Å; V159-F163 HydrophobicContact CB-CD2 4.21Å; V159-F163 HydrophobicContact CG1-CB 4.24Å; V159-F163 HydrophobicContact CG1-CD2 4.02Å; V159-F163 HydrophobicContact CG2-CD2 3.95Å; V159-F163 HydrophobicContact CG2-CE2 4.3Å; V159-F163 PolarHBondContact O-N 3.01Å; V159-L164 HydrophobicContact CG1-CD1 4.49Å; V159-L164 HydrophobicContact CG1-CG 4.37Å; V159-L164 PolarHBondContact O-N 3.33Å; V159-L164 VanDerWaalsContact O-N 3.14Å |
| 160 | A | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -55.5 | -49.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | A156 D158 L164 S165 E166 P168 | A156-A160 VanDerWaalsContact O-CB 3.25Å; A156-A160 WeakPolarHBondContact O-CB 3.37Å; A156-A160 PolarHBondContact O-N 3.1Å; A156-A160 VanDerWaalsContact O-N 3.1Å; D158-A160 VanDerWaalsContact C-N 3.34Å; D158-A160 PolarHBondContact O-N 2.79Å; A160-L164 CarbonylContact O-C 3.46Å; A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 3.02Å; A160-S165 PolarHBondContact O-N 3.4Å; A160-E166 CarbonylContact C-O 3.45Å; A160-E166 PolarHBondContact O-N 2.63Å; A160-P168 HydrophobicContact CB-CB 4.03Å |
| 161 | M | 96.7 | Very high | 95 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.015 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -73.4 | -50.9 | 179.1 | -64.8 | -174.8 | -72.1 | 0 | 0 | 112.1 | F157 D158 V159 S165 E166 P168 Y558 V561 F562 F565 | F157-M161 HydrophobicContact CD1-CE 3.7Å; F157-M161 HydrophobicContact CE1-CE 3.48Å; F157-M161 VanDerWaalsContact CE1-CE 3.48Å; F157-M161 HydrophobicContact CZ-CE 4.48Å; D158-M161 PolarHBondContact O-N 3.32Å; V159-M161 VanDerWaalsContact C-N 3.33Å; V159-M161 PolarHBondContact O-N 3.49Å; M161-S165 WeakPolarHBondContact O-CA 3.37Å; M161-S165 PolarHBondContact O-N 2.97Å; M161-E166 PolarHBondContact N-O 3.47Å; M161-P168 HydrophobicContact CG-CG 4.19Å; M161-P168 HydrophobicContact SD-CG 4.49Å; M161-Y558 HydrophobicContact CE-CD2 4.25Å; M161-Y558 HydrophobicContact CE-CG 4.5Å; M161-V561 HydrophobicContact CB-CG1 3.92Å; M161-F562 HydrophobicContact SD-CD2 4.34Å; M161-F565 HydrophobicContact CB-CB 4.18Å; M161-F565 HydrophobicContact CB-CD2 4.45Å; M161-F565 HydrophobicContact CB-CG 4.25Å; M161-F565 HydrophobicContact CG-CD1 4.48Å; M161-F565 HydrophobicContact CG-CG 4.35Å |
| 162 | R | 95.4 | Very high | 95 | Very high | 90 Ų | 90 | 15.4 Ų | 15.4 | 34% | 0.34 | 8% | 0.075 | S | C | . | . | I | π-helix | trans | -69 | -41.7 | -169.3 | -171.5 | -173.8 | -61.9 | -81.7 | 4.5 | 113.3 | D158 V561 | D158-R162 WeakPolarHBondContact O-CB 3.28Å; D158-R162 PolarHBondContact O-N 2.75Å; D158-R162 IonicContact OD1-CZ 3.48Å; D158-R162 VanDerWaalsContact OD1-CZ 3.26Å; D158-R162 IonicContact OD1-NE 3.3Å; D158-R162 PolarHBondContact OD1-NE 3.29Å; D158-R162 IonicContact OD1-NH2 3.94Å; D158-R162 PolarHBondContact OD1-NH2 2.72Å; D158-R162 IonicContact OD2-CZ 2.57Å; D158-R162 IonicContact OD2-NE 3.26Å; D158-R162 PolarHBondContact OD2-NE 3.21Å; D158-R162 IonicContact OD2-NH2 2.77Å; D158-R162 PolarHBondContact OD2-NH2 2.7Å; R162-V561 HydrophobicContact CB-CG1 3.7Å; R162-V561 HydrophobicContact CG-CG1 4.32Å; R162-V561 VanDerWaalsContact CZ-CG2 3.45Å |
| 163 | F | 94.8 | Very high | 95 | Very high | 53 Ų | 53 | 19.3 Ų | 19.3 | 23% | 0.232 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -117 | -30.8 | -167.6 | -64.3 | -61.4 | 0 | 0 | 0 | 113.5 | T59 P60 R126 V159 | T59-F163 HydrophobicContact CG2-CB 4.22Å; T59-F163 PolarHBondContact OG1-O 2.78Å; P60-F163 HydrophobicContact CG-CE1 4.4Å; R126-F163 VanDerWaalsContact CZ-CG 3.45Å; R126-F163 VanDerWaalsContact NH1-CD2 3.34Å; R126-F163 VanDerWaalsContact NH2-CE2 3.3Å; V159-F163 HydrophobicContact CB-CD2 4.21Å; V159-F163 HydrophobicContact CG1-CB 4.24Å; V159-F163 HydrophobicContact CG1-CD2 4.02Å; V159-F163 HydrophobicContact CG2-CD2 3.95Å; V159-F163 HydrophobicContact CG2-CE2 4.3Å; V159-F163 PolarHBondContact O-N 3.01Å |
| 164 | L | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -95.8 | -17.8 | 178.2 | -51.3 | -179.4 | 0 | 0 | 0 | 111.8 | R126 V127 R128 V159 A160 E166 F583 | R126-L164 HydrophobicContact CB-CD2 4.42Å; R126-L164 WeakPolarHBondContact O-CD2 3.16Å; V127-L164 WeakPolarHBondContact O-CD1 3.39Å; R128-L164 HydrophobicContact CG-CD1 4.17Å; R128-L164 HydrophobicContact CG-CD2 4.01Å; R128-L164 HydrophobicContact CG-CG 4.5Å; V159-L164 HydrophobicContact CG1-CD1 4.49Å; V159-L164 HydrophobicContact CG1-CG 4.37Å; V159-L164 PolarHBondContact O-N 3.33Å; V159-L164 VanDerWaalsContact O-N 3.14Å; A160-L164 CarbonylContact O-C 3.46Å; A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 3.02Å; L164-E166 VanDerWaalsContact C-N 3.25Å; L164-E166 HydrophobicContact CB-CB 4.49Å; L164-E166 HydrophobicContact CB-CG 3.92Å; L164-E166 WeakPolarHBondContact O-CG 3.49Å; L164-E166 PolarHBondContact O-N 2.74Å; L164-F583 WeakPolarHBondContact O-CE2 3.42Å; L164-F583 WeakPolarHBondContact O-CZ 2.96Å |
| 165 | S | 96 | Very high | 95.8 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | trans | 55.3 | 42.6 | -174.7 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | A160 M161 | A160-S165 PolarHBondContact O-N 3.4Å; M161-S165 WeakPolarHBondContact O-CA 3.37Å; M161-S165 PolarHBondContact O-N 2.97Å | ||
| 166 | E | 95.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | trans | -121.6 | 147.4 | 178.4 | -52.4 | -179.6 | 173.6 | 0 | 0 | 109.9 | R128 T129 A160 M161 L164 P168 R171 D576 | R128-E166 WeakPolarHBondContact CB-OE1 3.49Å; R128-E166 IonicContact CZ-OE1 3.9Å; R128-E166 IonicContact NE-OE1 3.94Å; R128-E166 PolarHBondContact NE-OE1 2.85Å; R128-E166 IonicContact NH2-OE1 3.21Å; R128-E166 PolarHBondContact NH2-OE1 3.17Å; T129-E166 VanDerWaalsContact CB-OE2 3.26Å; T129-E166 WeakPolarHBondContact CB-OE2 3.33Å; T129-E166 PolarHBondContact N-OE2 2.83Å; T129-E166 PolarHBondContact OG1-OE2 3.22Å; A160-E166 CarbonylContact C-O 3.45Å; A160-E166 PolarHBondContact O-N 2.63Å; M161-E166 PolarHBondContact N-O 3.47Å; L164-E166 VanDerWaalsContact C-N 3.25Å; L164-E166 HydrophobicContact CB-CB 4.49Å; L164-E166 HydrophobicContact CB-CG 3.92Å; L164-E166 WeakPolarHBondContact O-CG 3.49Å; L164-E166 PolarHBondContact O-N 2.74Å; E166-P168 WeakPolarHBondContact O-CD 3.18Å; E166-R171 IonicContact OE2-CZ 2.74Å; E166-R171 IonicContact OE2-NH2 3.42Å; E166-R171 PolarHBondContact OE2-NH2 2.83Å; E166-D576 HydrophobicContact CB-CB 4.45Å; E166-D576 HydrophobicContact CG-CB 3.96Å | ||
| 167 | C | 96.3 | Very high | 96.7 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 20% | 0.203 | 13% | 0.128 | C | C | . | . | trans | -77.8 | 120.3 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | W169 K170 R171 F565 | C167-W169 VanDerWaalsContact C-N 3.26Å; C167-W169 PolarHBondContact O-N 2.9Å; C167-K170 HydrophobicContact CB-CB 3.9Å; C167-K170 PolarHBondContact O-N 3.09Å; C167-R171 PolarHBondContact O-N 3.28Å; C167-R171 VanDerWaalsContact O-N 3.11Å; C167-F565 HydrophobicContact CB-CZ 4.1Å | ||
| 168 | P | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -30.9 | 179.9 | 25.7 | -33.7 | 0 | 0 | 0 | 112.2 | W152 F157 A160 M161 E166 R171 L172 | W152-P168 HydrophobicContact CZ2-CB 3.9Å; W152-P168 WeakPolarHBondContact CZ2-O 3.37Å; W152-P168 PolarHBondContact NE1-O 2.81Å; F157-P168 HydrophobicContact CD1-CG 4.28Å; F157-P168 HydrophobicContact CD2-CB 3.85Å; F157-P168 HydrophobicContact CD2-CG 3.75Å; F157-P168 HydrophobicContact CE1-CG 4.22Å; F157-P168 HydrophobicContact CE2-CB 4.16Å; F157-P168 HydrophobicContact CE2-CG 3.68Å; F157-P168 HydrophobicContact CG-CB 4.28Å; F157-P168 HydrophobicContact CG-CG 4.06Å; F157-P168 HydrophobicContact CZ-CG 3.93Å; A160-P168 HydrophobicContact CB-CB 4.03Å; M161-P168 HydrophobicContact CG-CG 4.19Å; M161-P168 HydrophobicContact SD-CG 4.49Å; E166-P168 WeakPolarHBondContact O-CD 3.18Å; P168-R171 WeakPolarHBondContact O-CB 3.4Å; P168-R171 PolarHBondContact O-N 3.13Å; P168-L172 PolarHBondContact O-N 3.39Å |
| 169 | W | 98 | Very high | 97 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.5 | -44.1 | 177.6 | -58.1 | 99.2 | 0 | 0 | 0 | 112.2 | W152 F157 C167 R171 L172 Q173 F207 V210 A211 N214 E550 M553 S554 | W152-W169 AromaticContact CH2-CD2 3.69Å; W152-W169 HydrophobicContact CH2-CD2 3.69Å; W152-W169 AromaticContact CH2-CE2 3.93Å; W152-W169 AromaticContact CH2-CE3 3.45Å; W152-W169 HydrophobicContact CH2-CE3 3.45Å; W152-W169 VanDerWaalsContact CH2-CE3 3.45Å; W152-W169 HydrophobicContact CH2-CG 4.48Å; W152-W169 AromaticContact CH2-CH2 3.72Å; W152-W169 HydrophobicContact CH2-CH2 3.72Å; W152-W169 AromaticContact CH2-CZ2 3.95Å; W152-W169 HydrophobicContact CH2-CZ2 3.95Å; W152-W169 AromaticContact CH2-CZ3 3.46Å; W152-W169 HydrophobicContact CH2-CZ3 3.46Å; W152-W169 VanDerWaalsContact CH2-CZ3 3.46Å; W152-W169 AromaticContact CZ2-CD2 3.99Å; W152-W169 HydrophobicContact CZ2-CD2 3.99Å; W152-W169 AromaticContact CZ2-CE3 3.97Å; W152-W169 HydrophobicContact CZ2-CE3 3.97Å; W152-W169 HydrophobicContact CZ2-CG 4.34Å; W152-W169 HydrophobicContact CZ2-CZ3 4.41Å; W152-W169 HydrophobicContact CZ3-CE3 4.43Å; W152-W169 HydrophobicContact CZ3-CH2 4.22Å; W152-W169 HydrophobicContact CZ3-CZ3 4.07Å; F157-W169 HydrophobicContact CE2-CD2 4.31Å; F157-W169 AromaticContact CE2-CE2 3.54Å; F157-W169 HydrophobicContact CE2-CH2 4.48Å; F157-W169 AromaticContact CE2-CZ2 3.63Å; F157-W169 HydrophobicContact CE2-CZ2 3.63Å; F157-W169 AromaticContact CE2-NE1 3.51Å; F157-W169 AromaticContact CZ-CE2 3.73Å; F157-W169 AromaticContact CZ-CZ2 3.83Å; F157-W169 HydrophobicContact CZ-CZ2 3.83Å; F157-W169 AromaticContact CZ-NE1 3.35Å; F157-W169 VanDerWaalsContact CZ-NE1 3.35Å; C167-W169 VanDerWaalsContact C-N 3.26Å; C167-W169 PolarHBondContact O-N 2.9Å; W169-R171 VanDerWaalsContact C-N 3.27Å; W169-R171 PolarHBondContact O-N 2.9Å; W169-L172 WeakPolarHBondContact O-CB 3.5Å; W169-L172 PolarHBondContact O-N 2.89Å; W169-L172 VanDerWaalsContact O-N 3.07Å; W169-Q173 WeakPolarHBondContact O-CG 3.32Å; W169-Q173 PolarHBondContact O-N 2.95Å; W169-F207 HydrophobicContact CH2-CD2 4.25Å; W169-F207 AromaticContact CH2-CE2 3.88Å; W169-F207 HydrophobicContact CH2-CE2 3.88Å; W169-F207 HydrophobicContact CH2-CZ 4.23Å; W169-F207 HydrophobicContact CZ2-CD2 4.25Å; W169-F207 AromaticContact CZ2-CE2 3.78Å; W169-F207 HydrophobicContact CZ2-CE2 3.78Å; W169-F207 HydrophobicContact CZ2-CZ 4.45Å; W169-V210 HydrophobicContact CE3-CG1 4.22Å; W169-V210 HydrophobicContact CH2-CB 4.14Å; W169-V210 HydrophobicContact CH2-CG1 3.74Å; W169-V210 HydrophobicContact CZ2-CG1 4.39Å; W169-V210 HydrophobicContact CZ3-CB 4.28Å; W169-V210 HydrophobicContact CZ3-CG1 3.63Å; W169-A211 HydrophobicContact CZ3-CB 4.32Å; W169-N214 HydrophobicContact CE3-CB 4.27Å; W169-E550 HydrophobicContact CB-CB 3.93Å; W169-E550 HydrophobicContact CB-CG 3.79Å; W169-E550 HydrophobicContact CD2-CB 3.8Å; W169-E550 HydrophobicContact CD2-CG 3.69Å; W169-E550 HydrophobicContact CE3-CB 4.49Å; W169-E550 HydrophobicContact CE3-CG 3.9Å; W169-E550 HydrophobicContact CG-CB 3.52Å; W169-E550 HydrophobicContact CG-CG 3.66Å; W169-E550 PolarHBondContact NE1-O 2.96Å; W169-M553 HydrophobicContact CZ2-CB 3.95Å; W169-S554 PolarHBondContact NE1-OG 3.12Å |
| 170 | K | 96.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 29.4 Ų | 29.4 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 173.8 | -172.8 | -178.6 | 174.5 | -165.7 | 0 | 110.9 | C167 L172 Q173 E174 D576 | C167-K170 HydrophobicContact CB-CB 3.9Å; C167-K170 PolarHBondContact O-N 3.09Å; K170-L172 PolarHBondContact O-N 2.82Å; K170-Q173 PolarHBondContact O-N 3.46Å; K170-E174 WeakPolarHBondContact CE-OE1 3.42Å; K170-E174 HydrophobicContact CG-CG 4.17Å; K170-E174 IonicContact NZ-OE1 3.38Å; K170-E174 WeakPolarHBondContact O-CB 3.41Å; K170-E174 VanDerWaalsContact O-CG 3.27Å; K170-E174 WeakPolarHBondContact O-CG 3.37Å; K170-E174 PolarHBondContact O-N 3.37Å; K170-D576 IonicContact NZ-OD2 3.34Å; K170-D576 PolarHBondContact NZ-OD2 3.36Å |
| 171 | R | 97.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 171.7 | 176.7 | -175.4 | -63.7 | -161.8 | -2.5 | 111.1 | V127 T129 E166 C167 P168 W169 Q173 E174 L175 | V127-R171 PolarHBondContact O-NH1 3.25Å; V127-R171 PolarHBondContact O-NH2 2.83Å; T129-R171 HydrophobicContact CG2-CB 3.96Å; T129-R171 HydrophobicContact CG2-CG 3.98Å; T129-R171 PolarHBondContact OG1-NE 3.37Å; T129-R171 PolarHBondContact OG1-NH2 2.86Å; E166-R171 IonicContact OE2-CZ 2.74Å; E166-R171 IonicContact OE2-NH2 3.42Å; E166-R171 PolarHBondContact OE2-NH2 2.83Å; C167-R171 PolarHBondContact O-N 3.28Å; C167-R171 VanDerWaalsContact O-N 3.11Å; P168-R171 WeakPolarHBondContact O-CB 3.4Å; P168-R171 PolarHBondContact O-N 3.13Å; W169-R171 VanDerWaalsContact C-N 3.27Å; W169-R171 PolarHBondContact O-N 2.9Å; R171-Q173 PolarHBondContact O-N 3.06Å; R171-E174 PolarHBondContact O-N 3.12Å; R171-L175 HydrophobicContact CG-CD1 3.83Å; R171-L175 HydrophobicContact CG-CG 4.33Å; R171-L175 WeakPolarHBondContact O-CB 3.4Å; R171-L175 WeakPolarHBondContact O-CG 3.35Å; R171-L175 PolarHBondContact O-N 3.03Å |
| 172 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.2 | -50 | 178.8 | 176.9 | 59.1 | 0 | 0 | 0 | 111.7 | W152 P168 W169 K170 L175 R176 F184 N214 M216 | W152-L172 HydrophobicContact CD2-CB 4.5Å; W152-L172 HydrophobicContact CD2-CD2 4.23Å; W152-L172 HydrophobicContact CE3-CD2 4.31Å; W152-L172 HydrophobicContact CH2-CD2 4.29Å; W152-L172 HydrophobicContact CZ2-CB 4.23Å; W152-L172 HydrophobicContact CZ2-CD2 4.23Å; W152-L172 HydrophobicContact CZ3-CD2 4.34Å; P168-L172 PolarHBondContact O-N 3.39Å; W169-L172 WeakPolarHBondContact O-CB 3.5Å; W169-L172 PolarHBondContact O-N 2.89Å; W169-L172 VanDerWaalsContact O-N 3.07Å; K170-L172 PolarHBondContact O-N 2.82Å; L172-L175 PolarHBondContact O-N 2.86Å; L172-R176 VanDerWaalsContact O-CB 3.24Å; L172-R176 WeakPolarHBondContact O-CB 3.4Å; L172-R176 PolarHBondContact O-N 3.14Å; L172-F184 HydrophobicContact CD1-CD2 3.68Å; L172-F184 HydrophobicContact CD1-CE2 4.18Å; L172-N214 HydrophobicContact CD2-CB 3.82Å; L172-N214 HydrophobicContact CG-CB 4.48Å; L172-M216 HydrophobicContact CD1-CE 3.76Å; L172-M216 HydrophobicContact CD2-CE 4.36Å |
| 173 | Q | 98.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 25.1 Ų | 25.1 | 39% | 0.393 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61 | -46.6 | -179.6 | -67.7 | 167.2 | -12.7 | 0 | 0 | 112.4 | W169 K170 R171 R176 A177 N214 | W169-Q173 WeakPolarHBondContact O-CG 3.32Å; W169-Q173 PolarHBondContact O-N 2.95Å; K170-Q173 PolarHBondContact O-N 3.46Å; R171-Q173 PolarHBondContact O-N 3.06Å; Q173-R176 PolarHBondContact O-N 3.46Å; Q173-A177 PolarHBondContact O-N 2.89Å; Q173-A177 VanDerWaalsContact O-N 3.07Å; Q173-N214 WeakPolarHBondContact CG-OD1 3.43Å; Q173-N214 PolarHBondContact NE2-OD1 2.89Å |
| 174 | E | 97.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 22.6 Ų | 22.6 | 20% | 0.201 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | -179.3 | -71.4 | -175.6 | 150.1 | 0 | 0 | 111.7 | K133 K170 R171 R176 A177 L178 | K133-E174 HydrophobicContact CD-CB 4.13Å; K133-E174 WeakPolarHBondContact CD-OE2 3.45Å; K133-E174 VanDerWaalsContact CE-OE2 3.29Å; K133-E174 WeakPolarHBondContact CE-OE2 3.14Å; K133-E174 IonicContact NZ-OE1 2.81Å; K133-E174 PolarHBondContact NZ-OE1 3.02Å; K133-E174 VanDerWaalsContact NZ-OE1 3.09Å; K133-E174 IonicContact NZ-OE2 3.36Å; K133-E174 PolarHBondContact NZ-OE2 3.41Å; K170-E174 WeakPolarHBondContact CE-OE1 3.42Å; K170-E174 HydrophobicContact CG-CG 4.17Å; K170-E174 IonicContact NZ-OE1 3.38Å; K170-E174 WeakPolarHBondContact O-CB 3.41Å; K170-E174 VanDerWaalsContact O-CG 3.27Å; K170-E174 WeakPolarHBondContact O-CG 3.37Å; K170-E174 PolarHBondContact O-N 3.37Å; R171-E174 PolarHBondContact O-N 3.12Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-A177 PolarHBondContact O-N 2.85Å; E174-L178 WeakPolarHBondContact O-CG 3.43Å; E174-L178 PolarHBondContact O-N 2.69Å |
| 175 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 173.9 | -67.1 | -179.5 | 0 | 0 | 0 | 111.1 | F115 L132 K133 S136 N151 R171 L172 A177 L178 I179 F184 | F115-L175 HydrophobicContact CD2-CD1 4.11Å; F115-L175 HydrophobicContact CE2-CD1 4.46Å; F115-L175 HydrophobicContact CE2-CD2 4.06Å; L132-L175 HydrophobicContact CB-CD1 4.48Å; L132-L175 HydrophobicContact CB-CD2 3.94Å; L132-L175 HydrophobicContact CD1-CD1 4.49Å; K133-L175 HydrophobicContact CG-CD2 4.04Å; S136-L175 WeakPolarHBondContact OG-CD2 3.4Å; N151-L175 HydrophobicContact CB-CD1 4.46Å; R171-L175 HydrophobicContact CG-CD1 3.83Å; R171-L175 HydrophobicContact CG-CG 4.33Å; R171-L175 WeakPolarHBondContact O-CB 3.4Å; R171-L175 WeakPolarHBondContact O-CG 3.35Å; R171-L175 PolarHBondContact O-N 3.03Å; L172-L175 PolarHBondContact O-N 2.86Å; L175-A177 VanDerWaalsContact C-N 3.29Å; L175-A177 PolarHBondContact O-N 3Å; L175-L178 PolarHBondContact O-N 3.43Å; L175-I179 WeakPolarHBondContact O-CA 3.35Å; L175-I179 PolarHBondContact O-N 3.46Å; L175-F184 HydrophobicContact CB-CE2 3.93Å; L175-F184 HydrophobicContact CB-CZ 3.91Å; L175-F184 WeakPolarHBondContact O-CZ 3.45Å |
| 176 | R | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 22 Ų | 22 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | -179.6 | 179.2 | 69.6 | -74.5 | 162.2 | 2 | 111.4 | R87 L172 Q173 E174 I179 V182 F184 G215 D217 | R87-R176 VanDerWaalsContact CD-NH1 3.28Å; L172-R176 VanDerWaalsContact O-CB 3.24Å; L172-R176 WeakPolarHBondContact O-CB 3.4Å; L172-R176 PolarHBondContact O-N 3.14Å; Q173-R176 PolarHBondContact O-N 3.46Å; E174-R176 VanDerWaalsContact C-N 3.32Å; R176-I179 VanDerWaalsContact NH2-C 3.28Å; R176-I179 PolarHBondContact NH2-O 2.83Å; R176-I179 PolarHBondContact O-N 2.84Å; R176-V182 PolarHBondContact NH1-O 3.17Å; R176-V182 PolarHBondContact NH2-O 3.35Å; R176-F184 VanDerWaalsContact CA-CE2 3.41Å; R176-F184 HydrophobicContact CB-CD2 4.37Å; R176-F184 HydrophobicContact CB-CE2 3.82Å; R176-F184 VanDerWaalsContact NH1-CG 3.25Å; R176-G215 WeakPolarHBondContact CD-O 3.32Å; R176-D217 IonicContact NH1-OD2 2.6Å; R176-D217 PolarHBondContact NH1-OD2 2.97Å |
| 177 | A | 97.8 | Very high | 98 | Very high | 81 Ų | 81 | 22 Ų | 22 | 67% | 0.669 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -65.6 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q173 E174 L175 | Q173-A177 PolarHBondContact O-N 2.89Å; Q173-A177 VanDerWaalsContact O-N 3.07Å; E174-A177 PolarHBondContact O-N 2.85Å; L175-A177 VanDerWaalsContact C-N 3.29Å; L175-A177 PolarHBondContact O-N 3Å |
| 178 | L | 97.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 20.6 Ų | 20.6 | 32% | 0.319 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -82.1 | -23.7 | 176.6 | -62.1 | 169 | 0 | 0 | 0 | 113 | K133 P137 S140 E174 L175 P180 | K133-L178 HydrophobicContact CB-CD1 3.91Å; K133-L178 HydrophobicContact CG-CD1 3.91Å; P137-L178 HydrophobicContact CG-CD2 4.29Å; S140-L178 WeakPolarHBondContact CB-O 3.47Å; E174-L178 WeakPolarHBondContact O-CG 3.43Å; E174-L178 PolarHBondContact O-N 2.69Å; L175-L178 PolarHBondContact O-N 3.43Å; L178-P180 VanDerWaalsContact O-CD 3.31Å; L178-P180 WeakPolarHBondContact O-CD 3.43Å |
| 179 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -83 | -1 | -175.8 | -7 | 159.3 | 0 | 0 | 0 | 121.9 | F115 V139 L149 L175 R176 N181 V182 F184 | F115-I179 HydrophobicContact CE2-CD1 4.17Å; F115-I179 HydrophobicContact CZ-CD1 4.45Å; V139-I179 HydrophobicContact CB-CD1 4.42Å; V139-I179 HydrophobicContact CG1-CD1 4.46Å; L149-I179 HydrophobicContact CD2-CD1 3.6Å; L175-I179 WeakPolarHBondContact O-CA 3.35Å; L175-I179 PolarHBondContact O-N 3.46Å; R176-I179 VanDerWaalsContact NH2-C 3.28Å; R176-I179 PolarHBondContact NH2-O 2.83Å; R176-I179 PolarHBondContact O-N 2.84Å; I179-N181 PolarHBondContact O-N 3.05Å; I179-N181 PolarHBondContact O-OD1 3.36Å; I179-V182 HydrophobicContact CG2-CB 4.03Å; I179-V182 HydrophobicContact CG2-CG2 4.1Å; I179-V182 PolarHBondContact O-N 2.85Å; I179-F184 HydrophobicContact CB-CE1 3.87Å; I179-F184 HydrophobicContact CB-CZ 3.96Å; I179-F184 HydrophobicContact CD1-CE1 4.34Å; I179-F184 HydrophobicContact CD1-CZ 4.37Å; I179-F184 HydrophobicContact CG1-CZ 4.47Å; I179-F184 HydrophobicContact CG2-CE1 4.34Å | ||
| 180 | P | 97.9 | Very high | 97.6 | Very high | 52 Ų | 52 | 20.8 Ų | 20.8 | 34% | 0.338 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.8 | -135.5 | 26.8 | -38.1 | 0 | 0 | 0 | 118.1 | P82 R87 L178 | P82-P180 HydrophobicContact CG-CG 3.7Å; R87-P180 WeakPolarHBondContact CD-O 3.35Å; R87-P180 PolarHBondContact NH1-O 3.38Å; L178-P180 VanDerWaalsContact O-CD 3.31Å; L178-P180 WeakPolarHBondContact O-CD 3.43Å |
| 181 | N | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -17 | -171 | 62.6 | -33.5 | 0 | 0 | 0 | 116.1 | P82 P83 G85 R87 S140 S144 I179 | P82-N181 HydrophobicContact CG-CB 4.47Å; P83-N181 WeakPolarHBondContact O-CB 3.46Å; P83-N181 PolarHBondContact O-ND2 3.46Å; G85-N181 CarbonylContact C-O 3.45Å; G85-N181 WeakPolarHBondContact CA-O 3.38Å; R87-N181 WeakPolarHBondContact CB-O 3.38Å; R87-N181 PolarHBondContact N-O 3.25Å; R87-N181 VanDerWaalsContact N-O 3.14Å; S140-N181 PolarHBondContact O-ND2 2.76Å; S140-N181 PolarHBondContact OG-OD1 3.17Å; S144-N181 WeakPolarHBondContact CB-ND2 3.33Å; I179-N181 PolarHBondContact O-N 3.05Å; I179-N181 PolarHBondContact O-OD1 3.36Å |
| 182 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -101.1 | 132.5 | 179.8 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L146 L149 R176 I179 F184 | L146-V182 HydrophobicContact CB-CG1 4.01Å; L149-V182 HydrophobicContact CB-CG1 4.14Å; R176-V182 PolarHBondContact NH1-O 3.17Å; R176-V182 PolarHBondContact NH2-O 3.35Å; I179-V182 HydrophobicContact CG2-CB 4.03Å; I179-V182 HydrophobicContact CG2-CG2 4.1Å; I179-V182 PolarHBondContact O-N 2.85Å; V182-F184 PolarHBondContact O-N 2.67Å |
| 183 | P | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 135.9 | 176.8 | -25.2 | 35.7 | 0 | 0 | 0 | 111.4 | F86 R87 F98 F147 S148 L149 D217 I218 | F86-P183 HydrophobicContact CB-CG 3.89Å; R87-P183 HydrophobicContact CB-CG 4.03Å; F98-P183 HydrophobicContact CE2-CG 4.02Å; F98-P183 HydrophobicContact CZ-CG 4.36Å; F147-P183 WeakPolarHBondContact O-CD 3.3Å; F147-P183 VanDerWaalsContact O-CG 3.26Å; F147-P183 WeakPolarHBondContact O-CG 3.47Å; S148-P183 CarbonylContact C-O 3.58Å; S148-P183 VanDerWaalsContact CA-O 3.27Å; S148-P183 WeakPolarHBondContact CA-O 3.34Å; S148-P183 WeakPolarHBondContact CB-O 3.47Å; L149-P183 PolarHBondContact N-O 3.15Å; P183-D217 HydrophobicContact CB-CB 4.18Å; P183-I218 HydrophobicContact CB-CD1 3.92Å; P183-I218 HydrophobicContact CB-CG1 4.24Å |
| 184 | F | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.6 | 172.2 | -78.4 | 0.6 | 0 | 0 | 0 | 111 | L149 N151 L172 L175 R176 I179 V182 M216 D217 I218 | L149-F184 HydrophobicContact CB-CD1 4.4Å; L149-F184 HydrophobicContact CD2-CE1 4.01Å; N151-F184 WeakPolarHBondContact ND2-CD1 3.43Å; N151-F184 WeakPolarHBondContact ND2-CD2 3.17Å; N151-F184 WeakPolarHBondContact ND2-CE1 2.95Å; N151-F184 WeakPolarHBondContact ND2-CE2 3.36Å; N151-F184 WeakPolarHBondContact ND2-CG 3.26Å; N151-F184 WeakPolarHBondContact ND2-CZ 3.42Å; L172-F184 HydrophobicContact CD1-CD2 3.68Å; L172-F184 HydrophobicContact CD1-CE2 4.18Å; L175-F184 HydrophobicContact CB-CE2 3.93Å; L175-F184 HydrophobicContact CB-CZ 3.91Å; L175-F184 WeakPolarHBondContact O-CZ 3.45Å; R176-F184 VanDerWaalsContact CA-CE2 3.41Å; R176-F184 HydrophobicContact CB-CD2 4.37Å; R176-F184 HydrophobicContact CB-CE2 3.82Å; R176-F184 VanDerWaalsContact NH1-CG 3.25Å; I179-F184 HydrophobicContact CB-CE1 3.87Å; I179-F184 HydrophobicContact CB-CZ 3.96Å; I179-F184 HydrophobicContact CD1-CE1 4.34Å; I179-F184 HydrophobicContact CD1-CZ 4.37Å; I179-F184 HydrophobicContact CG1-CZ 4.47Å; I179-F184 HydrophobicContact CG2-CE1 4.34Å; V182-F184 PolarHBondContact O-N 2.67Å; F184-M216 HydrophobicContact CB-CE 4.33Å; F184-M216 HydrophobicContact CB-SD 4.13Å; F184-D217 PolarHBondContact N-OD2 2.86Å; F184-D217 CarbonylContact O-C 3.25Å; F184-D217 WeakPolarHBondContact O-CA 3.38Å; F184-D217 WeakPolarHBondContact O-CB 3.18Å; F184-D217 PolarHBondContact O-N 3.36Å; F184-I218 PolarHBondContact O-N 2.88Å |
| 185 | Q | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.8 | -179.1 | -179.6 | 156.6 | -24.9 | 0 | 0 | 111.5 | M111 F147 S148 L149 E150 N151 M216 I218 R220 E246 | M111-Q185 HydrophobicContact SD-CG 4.2Å; M111-Q185 PolarHBondContact SD-NE2 3.33Å; M111-Q185 VanDerWaalsContact SD-NE2 3.41Å; F147-Q185 VanDerWaalsContact CE1-OE1 3.25Å; S148-Q185 PolarHBondContact OG-OE1 3.5Å; L149-Q185 PolarHBondContact O-N 3.43Å; E150-Q185 WeakPolarHBondContact CA-O 3.28Å; E150-Q185 HydrophobicContact CB-CB 4.39Å; E150-Q185 HydrophobicContact CG-CG 4.43Å; N151-Q185 PolarHBondContact N-O 2.81Å; N151-Q185 VanDerWaalsContact N-O 3.17Å; Q185-M216 VanDerWaalsContact C-SD 3.52Å; Q185-I218 WeakPolarHBondContact CA-O 3.46Å; Q185-I218 HydrophobicContact CB-CB 4.06Å; Q185-I218 HydrophobicContact CG-CB 4.06Å; Q185-I218 HydrophobicContact CG-CG2 4.14Å; Q185-R220 VanDerWaalsContact NE2-CZ 3.26Å; Q185-E246 PolarHBondContact NE2-OE2 2.93Å |
| 186 | M | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153 | 171.6 | 68.5 | 169.5 | -63.6 | 0 | 0 | 112.5 | W152 L188 V194 F207 A211 M216 I218 F219 R220 | W152-M186 HydrophobicContact CB-CB 4.1Å; W152-M186 HydrophobicContact CE3-CE 4.38Å; W152-M186 HydrophobicContact CE3-SD 4.27Å; W152-M186 VanDerWaalsContact O-CA 3.28Å; W152-M186 WeakPolarHBondContact O-CA 3.5Å; W152-M186 WeakPolarHBondContact O-CB 3.39Å; M186-L188 HydrophobicContact CE-CB 4.22Å; M186-L188 HydrophobicContact CE-CD1 3.7Å; M186-L188 HydrophobicContact SD-CD1 4.38Å; M186-V194 HydrophobicContact CE-CG1 3.71Å; M186-F207 HydrophobicContact CE-CE1 3.89Å; M186-F207 HydrophobicContact CE-CZ 4.49Å; M186-F207 HydrophobicContact SD-CE1 4.35Å; M186-A211 HydrophobicContact SD-CB 4.5Å; M186-M216 HydrophobicContact CB-CE 3.78Å; M186-M216 HydrophobicContact CB-CG 4.32Å; M186-M216 HydrophobicContact CB-SD 3.65Å; M186-M216 HydrophobicContact CG-CE 4.24Å; M186-M216 HydrophobicContact CG-CG 3.74Å; M186-M216 HydrophobicContact CG-SD 3.7Å; M186-M216 PolarHBondContact N-SD 2.97Å; M186-M216 VanDerWaalsContact N-SD 3.43Å; M186-M216 HydrophobicContact SD-CG 3.89Å; M186-M216 HydrophobicContact SD-SD 4.45Å; M186-I218 PolarHBondContact N-O 2.84Å; M186-F219 HydrophobicContact CG-CD1 3.84Å; M186-F219 HydrophobicContact CG-CE1 4.25Å; M186-F219 HydrophobicContact CG-CG 4.43Å; M186-F219 HydrophobicContact SD-CD1 3.54Å; M186-F219 VanDerWaalsContact SD-CD1 3.54Å; M186-F219 HydrophobicContact SD-CE1 3.5Å; M186-F219 WeakPolarHBondContact SD-CE1 3.38Å; M186-R220 WeakPolarHBondContact O-CB 3.47Å; M186-R220 PolarHBondContact O-N 2.7Å |
| 187 | L | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.4 | 166 | -172.4 | 65.2 | 0 | 0 | 0 | 109.6 | W152 G153 D154 R220 F222 K286 | W152-L187 PolarHBondContact O-N 3.16Å; G153-L187 WeakPolarHBondContact CA-O 3.49Å; D154-L187 HydrophobicContact CB-CB 4.29Å; D154-L187 HydrophobicContact CB-CD2 3.95Å; D154-L187 HydrophobicContact CB-CG 4.39Å; D154-L187 PolarHBondContact N-O 3.21Å; L187-R220 HydrophobicContact CD1-CB 4.3Å; L187-R220 HydrophobicContact CD1-CG 3.96Å; L187-F222 HydrophobicContact CD1-CD1 3.42Å; L187-F222 VanDerWaalsContact CD1-CD1 3.42Å; L187-F222 HydrophobicContact CD1-CE1 3.76Å; L187-F222 HydrophobicContact CD1-CG 4.19Å; L187-F222 HydrophobicContact CD2-CD1 4.34Å; L187-F222 HydrophobicContact CD2-CE1 3.85Å; L187-F222 HydrophobicContact CD2-CZ 4.28Å; L187-F222 HydrophobicContact CG-CD1 3.77Å; L187-F222 HydrophobicContact CG-CE1 3.54Å; L187-F222 HydrophobicContact CG-CZ 4.44Å; L187-K286 HydrophobicContact CD1-CD 4.23Å |
| 188 | L | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122 | -179.9 | -171.1 | 81 | 0 | 0 | 0 | 109.9 | M186 G190 A193 F207 F219 R220 V221 F222 | M186-L188 HydrophobicContact CE-CB 4.22Å; M186-L188 HydrophobicContact CE-CD1 3.7Å; M186-L188 HydrophobicContact SD-CD1 4.38Å; L188-G190 PolarHBondContact O-N 3.01Å; L188-A193 HydrophobicContact CD1-CB 3.92Å; L188-F207 HydrophobicContact CD1-CD1 4.14Å; L188-F207 HydrophobicContact CD1-CE1 4.15Å; L188-F219 HydrophobicContact CD2-CD1 4.23Å; L188-R220 PolarHBondContact N-O 2.9Å; L188-V221 HydrophobicContact CD2-CG2 4.06Å; L188-V221 WeakPolarHBondContact O-CA 3.41Å; L188-F222 VanDerWaalsContact O-CD1 3.3Å; L188-F222 WeakPolarHBondContact O-CD1 3.23Å; L188-F222 PolarHBondContact O-N 2.66Å |
| 189 | R | 94.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 3% | 0.03 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 107.4 | 174.8 | -165.6 | 173.4 | 89.8 | -151.1 | 3.6 | 109.4 | A191 N192 A193 G195 Y196 F222 T453 | R189-A191 PolarHBondContact O-N 3.02Å; R189-N192 HydrophobicContact CB-CB 4.2Å; R189-N192 HydrophobicContact CG-CB 4.22Å; R189-N192 VanDerWaalsContact CZ-CB 3.49Å; R189-N192 PolarHBondContact NE-OD1 3.23Å; R189-N192 VanDerWaalsContact NH2-CB 3.27Å; R189-N192 PolarHBondContact NH2-ND2 3.21Å; R189-N192 VanDerWaalsContact NH2-ND2 3.17Å; R189-N192 PolarHBondContact NH2-OD1 2.81Å; R189-N192 CarbonylContact O-C 3.52Å; R189-N192 WeakPolarHBondContact O-CA 3.47Å; R189-N192 PolarHBondContact O-N 3.34Å; R189-A193 WeakPolarHBondContact CB-O 3.43Å; R189-A193 PolarHBondContact N-O 3.15Å; R189-A193 PolarHBondContact O-N 2.57Å; R189-G195 PolarHBondContact NH1-O 3.08Å; R189-G195 PolarHBondContact NH2-O 3.24Å; R189-Y196 PolarHBondContact NH2-O 3.47Å; R189-F222 CarbonylContact C-O 3.3Å; R189-F222 WeakPolarHBondContact CA-O 3.13Å; R189-F222 HydrophobicContact CB-CD1 4.45Å; R189-F222 HydrophobicContact CB-CE1 3.71Å; R189-F222 HydrophobicContact CB-CZ 3.97Å; R189-F222 HydrophobicContact CG-CE1 4.04Å; R189-F222 HydrophobicContact CG-CE2 4.36Å; R189-F222 HydrophobicContact CG-CZ 3.86Å; R189-T453 WeakPolarHBondContact CD-O 3.27Å |
| 190 | G | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -12.8 | -93.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L188 N192 F222 N230 | L188-G190 PolarHBondContact O-N 3.01Å; G190-N192 PolarHBondContact O-N 2.91Å; G190-F222 PolarHBondContact N-O 3.27Å; G190-N230 CarbonylContact C-O 3.33Å; G190-N230 VanDerWaalsContact CA-O 3.25Å; G190-N230 WeakPolarHBondContact CA-O 3.21Å |
| 191 | A | 89.1 | Confident | 92.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -78.6 | 4.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R189 N230 L233 | R189-A191 PolarHBondContact O-N 3.02Å; A191-N230 HydrophobicContact CB-CB 3.96Å; A191-N230 PolarHBondContact N-O 2.76Å; A191-L233 HydrophobicContact CB-CD2 3.94Å |
| 192 | N | 89.8 | Confident | 92.6 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -120.6 | -3.2 | -174.3 | -49.1 | 105.7 | 0 | 0 | 0 | 113 | R189 G190 V194 G195 T197 N198 Y199 | R189-N192 HydrophobicContact CB-CB 4.2Å; R189-N192 HydrophobicContact CG-CB 4.22Å; R189-N192 VanDerWaalsContact CZ-CB 3.49Å; R189-N192 PolarHBondContact NE-OD1 3.23Å; R189-N192 VanDerWaalsContact NH2-CB 3.27Å; R189-N192 PolarHBondContact NH2-ND2 3.21Å; R189-N192 VanDerWaalsContact NH2-ND2 3.17Å; R189-N192 PolarHBondContact NH2-OD1 2.81Å; R189-N192 CarbonylContact O-C 3.52Å; R189-N192 WeakPolarHBondContact O-CA 3.47Å; R189-N192 PolarHBondContact O-N 3.34Å; G190-N192 PolarHBondContact O-N 2.91Å; N192-V194 PolarHBondContact O-N 3.46Å; N192-G195 PolarHBondContact O-N 3.08Å; N192-T197 PolarHBondContact ND2-O 3.03Å; N192-N198 VanDerWaalsContact ND2-CA 3.35Å; N192-N198 WeakPolarHBondContact ND2-CA 3.33Å; N192-N198 PolarHBondContact ND2-N 3.48Å; N192-N198 PolarHBondContact ND2-OD1 3.26Å; N192-Y199 WeakPolarHBondContact O-CD2 3.45Å; N192-Y199 WeakPolarHBondContact O-CE2 3.32Å |
| 193 | A | 92.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | 46.6 | -104.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L188 R189 F207 M557 | L188-A193 HydrophobicContact CD1-CB 3.92Å; R189-A193 WeakPolarHBondContact CB-O 3.43Å; R189-A193 PolarHBondContact N-O 3.15Å; R189-A193 PolarHBondContact O-N 2.57Å; A193-F207 HydrophobicContact CB-CB 4.17Å; A193-F207 HydrophobicContact CB-CD1 3.77Å; A193-F207 HydrophobicContact CB-CD2 4.49Å; A193-F207 HydrophobicContact CB-CE1 4.35Å; A193-F207 HydrophobicContact CB-CG 3.86Å; A193-M557 HydrophobicContact CB-SD 4.35Å |
| 194 | V | 91.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.024 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 5.7 | 179.3 | -65.1 | 0 | 0 | 0 | 0 | 113.5 | F157 M186 N192 F207 M557 Y558 | F157-V194 HydrophobicContact CB-CB 4.1Å; F157-V194 HydrophobicContact CB-CG1 4.45Å; F157-V194 HydrophobicContact CB-CG2 4.17Å; F157-V194 HydrophobicContact CD1-CG2 3.89Å; F157-V194 HydrophobicContact CD2-CG2 4.21Å; F157-V194 HydrophobicContact CE1-CG2 4.31Å; F157-V194 HydrophobicContact CG-CB 4.29Å; F157-V194 HydrophobicContact CG-CG2 3.82Å; M186-V194 HydrophobicContact CE-CG1 3.71Å; N192-V194 PolarHBondContact O-N 3.46Å; V194-F207 HydrophobicContact CB-CZ 4.14Å; V194-F207 HydrophobicContact CG1-CE1 3.78Å; V194-F207 HydrophobicContact CG1-CE2 4.29Å; V194-F207 HydrophobicContact CG1-CZ 3.45Å; V194-F207 VanDerWaalsContact CG1-CZ 3.45Å; V194-F207 HydrophobicContact CG2-CD2 4.29Å; V194-F207 HydrophobicContact CG2-CE1 4.38Å; V194-F207 HydrophobicContact CG2-CE2 3.47Å; V194-F207 VanDerWaalsContact CG2-CE2 3.47Å; V194-F207 HydrophobicContact CG2-CZ 3.54Å; V194-M557 HydrophobicContact CG2-CG 4.37Å; V194-Y558 HydrophobicContact CG2-CE2 4.21Å; V194-Y558 PolarHBondContact O-OH 2.91Å |
| 195 | G | 86.3 | Confident | 92.4 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -90.5 | -179.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R189 N192 Y199 Y558 | R189-G195 PolarHBondContact NH1-O 3.08Å; R189-G195 PolarHBondContact NH2-O 3.24Å; N192-G195 PolarHBondContact O-N 3.08Å; G195-Y199 VanDerWaalsContact CA-OH 3.23Å; G195-Y199 WeakPolarHBondContact CA-OH 3.32Å; G195-Y558 WeakPolarHBondContact CA-OH 3.42Å |
| 196 | Y | 78.7 | Confident | 92.4 | Very high | 96 Ų | 96 | 22.3 Ų | 22.3 | 38% | 0.376 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -101.8 | -15.7 | 173.6 | -62.4 | -61 | 0 | 0 | 0 | 114.3 | D158 R189 T453 Y558 | D158-Y196 HydrophobicContact CB-CE2 4.43Å; R189-Y196 PolarHBondContact NH2-O 3.47Å; Y196-T453 HydrophobicContact CD1-CG2 4.4Å; Y196-T453 HydrophobicContact CE1-CG2 3.98Å; Y196-Y558 AromaticContact CD2-CE1 3.75Å; Y196-Y558 HydrophobicContact CD2-CE1 3.75Å; Y196-Y558 AromaticContact CE2-CE1 3.82Å; Y196-Y558 HydrophobicContact CE2-CE1 3.82Å |
| 197 | T | 78.4 | Confident | 92.4 | Very high | 86 Ų | 86 | 22.3 Ų | 22.3 | 53% | 0.528 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -113 | 169.2 | 178.4 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | N192 Y199 | N192-T197 PolarHBondContact ND2-O 3.03Å; T197-Y199 VanDerWaalsContact O-CE2 3.27Å; T197-Y199 WeakPolarHBondContact O-CE2 3.39Å |
| 198 | N | 83.7 | Confident | 92.4 | Very high | 18 Ų | 18 | 22.3 Ų | 22.3 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | trans | -76 | 144 | 168.5 | -84.9 | -62.2 | 0 | 0 | 0 | 111 | N192 Y496 P523 | N192-N198 VanDerWaalsContact ND2-CA 3.35Å; N192-N198 WeakPolarHBondContact ND2-CA 3.33Å; N192-N198 PolarHBondContact ND2-N 3.48Å; N192-N198 PolarHBondContact ND2-OD1 3.26Å; N198-Y496 PolarHBondContact ND2-O 2.77Å; N198-P523 HydrophobicContact CB-CB 3.92Å; N198-P523 WeakPolarHBondContact ND2-CB 3.49Å; N198-P523 WeakPolarHBondContact ND2-CG 3.37Å | ||
| 199 | Y | 91.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | trans | -115.7 | 157.3 | 178.8 | -58.7 | -68.8 | 0 | 0 | 0 | 110.4 | N192 G195 T197 G524 M557 | N192-Y199 WeakPolarHBondContact O-CD2 3.45Å; N192-Y199 WeakPolarHBondContact O-CE2 3.32Å; G195-Y199 VanDerWaalsContact CA-OH 3.23Å; G195-Y199 WeakPolarHBondContact CA-OH 3.32Å; T197-Y199 VanDerWaalsContact O-CE2 3.27Å; T197-Y199 WeakPolarHBondContact O-CE2 3.39Å; Y199-G524 WeakPolarHBondContact O-CA 3.43Å; Y199-M557 HydrophobicContact CD1-SD 4.35Å; Y199-M557 HydrophobicContact CD2-CE 4.45Å; Y199-M557 HydrophobicContact CD2-SD 3.76Å; Y199-M557 HydrophobicContact CE1-SD 4.18Å; Y199-M557 HydrophobicContact CE2-SD 3.55Å; Y199-M557 VanDerWaalsContact CE2-SD 3.55Å; Y199-M557 HydrophobicContact CG-CE 4.48Å; Y199-M557 HydrophobicContact CG-SD 4.17Å; Y199-M557 PolarHBondContact OH-O 3.05Å | ||
| 200 | P | 94.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | trans | -56.8 | 145.8 | 163.4 | -17.2 | 29.2 | 0 | 0 | 0 | 109.9 | N202 A203 L527 S528 M530 | P200-N202 VanDerWaalsContact C-N 3.25Å; P200-N202 WeakPolarHBondContact CB-OD1 3.34Å; P200-N202 PolarHBondContact O-N 3.43Å; P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.96Å; P200-L527 HydrophobicContact CB-CB 4.21Å; P200-L527 HydrophobicContact CG-CB 3.86Å; P200-L527 HydrophobicContact CG-CD1 4.37Å; P200-S528 WeakPolarHBondContact CB-O 3.09Å; P200-S528 WeakPolarHBondContact CG-O 3.41Å; P200-M530 HydrophobicContact CG-CB 4.48Å | ||
| 201 | D | 96.4 | Very high | 93 | Very high | 52 Ų | 52 | 25.5 Ų | 25.5 | 28% | 0.278 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -54.1 | -43.4 | -173.2 | -64.9 | 4.4 | 0 | 0 | 0 | 112.1 | A203 V204 Y205 L233 R522 | D201-A203 PolarHBondContact O-N 2.94Å; D201-A203 VanDerWaalsContact O-N 3.08Å; D201-V204 WeakPolarHBondContact O-CA 3.47Å; D201-V204 WeakPolarHBondContact O-CB 3.29Å; D201-V204 PolarHBondContact O-N 3.44Å; D201-Y205 HydrophobicContact CB-CD2 4.46Å; D201-Y205 HydrophobicContact CB-CE2 4.43Å; D201-Y205 VanDerWaalsContact O-CD2 3.29Å; D201-Y205 WeakPolarHBondContact O-CD2 3.39Å; D201-Y205 PolarHBondContact O-N 3.11Å; D201-L233 HydrophobicContact CB-CD1 3.99Å; D201-L233 HydrophobicContact CB-CD2 4.43Å; D201-R522 IonicContact OD1-CZ 2.78Å; D201-R522 IonicContact OD1-NH1 3.9Å; D201-R522 PolarHBondContact OD1-NH1 3.21Å; D201-R522 IonicContact OD1-NH2 3.14Å; D201-R522 PolarHBondContact OD1-NH2 3.44Å; D201-R522 IonicContact OD2-CZ 2.95Å; D201-R522 IonicContact OD2-NH1 2.72Å; D201-R522 IonicContact OD2-NH2 2.99Å; D201-R522 PolarHBondContact OD2-NH2 3.16Å |
| 202 | N | 97.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.1 | -25.9 | -178.5 | 74.3 | -41.3 | 0 | 0 | 0 | 113.5 | P200 K206 P529 M530 F532 | P200-N202 VanDerWaalsContact C-N 3.25Å; P200-N202 WeakPolarHBondContact CB-OD1 3.34Å; P200-N202 PolarHBondContact O-N 3.43Å; N202-K206 VanDerWaalsContact O-CB 3.29Å; N202-K206 WeakPolarHBondContact O-CB 3.48Å; N202-K206 PolarHBondContact O-N 2.87Å; N202-P529 WeakPolarHBondContact OD1-CA 3.06Å; N202-M530 PolarHBondContact ND2-N 3.43Å; N202-M530 PolarHBondContact ND2-O 3.33Å; N202-M530 PolarHBondContact OD1-N 3.36Å; N202-F532 HydrophobicContact CB-CE2 4.46Å; N202-F532 VanDerWaalsContact ND2-CE2 3.29Å; N202-F532 WeakPolarHBondContact ND2-CE2 3.33Å |
| 203 | A | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.7 | -34.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P200 D201 F207 M530 F532 M557 | P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.96Å; D201-A203 PolarHBondContact O-N 2.94Å; D201-A203 VanDerWaalsContact O-N 3.08Å; A203-F207 VanDerWaalsContact O-CB 3.29Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 3.11Å; A203-M530 HydrophobicContact CB-CE 4.5Å; A203-F532 HydrophobicContact CB-CE1 4.45Å; A203-F532 HydrophobicContact CB-CZ 4.18Å; A203-M557 HydrophobicContact CB-CE 3.8Å; A203-M557 WeakPolarHBondContact O-CE 3.47Å |
| 204 | V | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -44.8 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | D201 F207 C208 L233 A237 | D201-V204 WeakPolarHBondContact O-CA 3.47Å; D201-V204 WeakPolarHBondContact O-CB 3.29Å; D201-V204 PolarHBondContact O-N 3.44Å; V204-F207 PolarHBondContact O-N 2.95Å; V204-C208 PolarHBondContact O-N 3.01Å; V204-C208 VanDerWaalsContact O-N 3.12Å; V204-C208 PolarHBondContact O-SG 3.05Å; V204-L233 HydrophobicContact CG2-CD2 4.33Å; V204-A237 HydrophobicContact CG1-CB 3.96Å |
| 205 | Y | 98.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 26% | 0.255 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.9 | -52.8 | 173.7 | -81.3 | -86.7 | 0 | 0 | 0 | 111.6 | D201 F207 C208 E209 L233 E236 A237 | D201-Y205 HydrophobicContact CB-CD2 4.46Å; D201-Y205 HydrophobicContact CB-CE2 4.43Å; D201-Y205 VanDerWaalsContact O-CD2 3.29Å; D201-Y205 WeakPolarHBondContact O-CD2 3.39Å; D201-Y205 PolarHBondContact O-N 3.11Å; Y205-F207 VanDerWaalsContact C-N 3.26Å; Y205-F207 PolarHBondContact O-N 3.22Å; Y205-C208 PolarHBondContact O-N 3.38Å; Y205-C208 VanDerWaalsContact O-N 3.16Å; Y205-E209 PolarHBondContact O-N 2.88Å; Y205-L233 HydrophobicContact CD2-CD1 4.34Å; Y205-L233 HydrophobicContact CE2-CD1 3.57Å; Y205-E236 HydrophobicContact CE1-CG 4.39Å; Y205-E236 WeakPolarHBondContact OH-CG 3.33Å; Y205-E236 PolarHBondContact OH-OE1 2.91Å; Y205-E236 PolarHBondContact OH-OE2 3.34Å; Y205-A237 HydrophobicContact CD1-CB 3.97Å; Y205-A237 HydrophobicContact CD2-CB 4.41Å; Y205-A237 HydrophobicContact CE1-CB 4.16Å; Y205-A237 HydrophobicContact CG-CB 4.09Å |
| 206 | K | 98.3 | Very high | 95 | Very high | 60 Ų | 60 | 34.7 Ų | 34.7 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.5 | -34.4 | -178.1 | -170.2 | 58 | -179.5 | 175.7 | 0 | 112.2 | N202 E209 V210 F532 M553 | N202-K206 VanDerWaalsContact O-CB 3.29Å; N202-K206 WeakPolarHBondContact O-CB 3.48Å; N202-K206 PolarHBondContact O-N 2.87Å; K206-E209 WeakPolarHBondContact CD-OE2 3.49Å; K206-E209 IonicContact NZ-OE1 2.93Å; K206-E209 PolarHBondContact NZ-OE1 3.4Å; K206-E209 IonicContact NZ-OE2 3.57Å; K206-E209 PolarHBondContact NZ-OE2 3.21Å; K206-V210 HydrophobicContact CD-CG2 4.23Å; K206-V210 HydrophobicContact CG-CG2 4.39Å; K206-V210 VanDerWaalsContact O-CG2 3.3Å; K206-V210 WeakPolarHBondContact O-CG2 3.47Å; K206-V210 PolarHBondContact O-N 3.41Å; K206-F532 HydrophobicContact CB-CE2 4.1Å; K206-F532 HydrophobicContact CB-CZ 3.92Å; K206-F532 HydrophobicContact CG-CE2 4.34Å; K206-F532 HydrophobicContact CG-CZ 4.33Å; K206-M553 HydrophobicContact CB-CE 4.43Å; K206-M553 HydrophobicContact CB-SD 3.94Å; K206-M553 HydrophobicContact CG-CG 4.44Å; K206-M553 HydrophobicContact CG-SD 3.52Å; K206-M553 VanDerWaalsContact CG-SD 3.52Å |
| 207 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 174.4 | -174.1 | -87.2 | 0 | 0 | 0 | 112.3 | W152 F157 W169 M186 L188 A193 V194 A203 V204 Y205 E209 V210 A211 M553 M557 | W152-F207 HydrophobicContact CH2-CZ 4.33Å; W152-F207 HydrophobicContact CZ3-CE1 4.33Å; W152-F207 AromaticContact CZ3-CZ 3.76Å; W152-F207 HydrophobicContact CZ3-CZ 3.76Å; F157-F207 HydrophobicContact CD2-CE2 4.41Å; F157-F207 HydrophobicContact CD2-CZ 4.35Å; F157-F207 AromaticContact CE2-CE2 3.92Å; F157-F207 HydrophobicContact CE2-CE2 3.92Å; F157-F207 HydrophobicContact CE2-CZ 4.22Å; F157-F207 HydrophobicContact CZ-CE2 4.16Å; W169-F207 HydrophobicContact CH2-CD2 4.25Å; W169-F207 AromaticContact CH2-CE2 3.88Å; W169-F207 HydrophobicContact CH2-CE2 3.88Å; W169-F207 HydrophobicContact CH2-CZ 4.23Å; W169-F207 HydrophobicContact CZ2-CD2 4.25Å; W169-F207 AromaticContact CZ2-CE2 3.78Å; W169-F207 HydrophobicContact CZ2-CE2 3.78Å; W169-F207 HydrophobicContact CZ2-CZ 4.45Å; M186-F207 HydrophobicContact CE-CE1 3.89Å; M186-F207 HydrophobicContact CE-CZ 4.49Å; M186-F207 HydrophobicContact SD-CE1 4.35Å; L188-F207 HydrophobicContact CD1-CD1 4.14Å; L188-F207 HydrophobicContact CD1-CE1 4.15Å; A193-F207 HydrophobicContact CB-CB 4.17Å; A193-F207 HydrophobicContact CB-CD1 3.77Å; A193-F207 HydrophobicContact CB-CD2 4.49Å; A193-F207 HydrophobicContact CB-CE1 4.35Å; A193-F207 HydrophobicContact CB-CG 3.86Å; V194-F207 HydrophobicContact CB-CZ 4.14Å; V194-F207 HydrophobicContact CG1-CE1 3.78Å; V194-F207 HydrophobicContact CG1-CE2 4.29Å; V194-F207 HydrophobicContact CG1-CZ 3.45Å; V194-F207 VanDerWaalsContact CG1-CZ 3.45Å; V194-F207 HydrophobicContact CG2-CD2 4.29Å; V194-F207 HydrophobicContact CG2-CE1 4.38Å; V194-F207 HydrophobicContact CG2-CE2 3.47Å; V194-F207 VanDerWaalsContact CG2-CE2 3.47Å; V194-F207 HydrophobicContact CG2-CZ 3.54Å; A203-F207 VanDerWaalsContact O-CB 3.29Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 3.11Å; V204-F207 PolarHBondContact O-N 2.95Å; Y205-F207 VanDerWaalsContact C-N 3.26Å; Y205-F207 PolarHBondContact O-N 3.22Å; F207-E209 VanDerWaalsContact C-N 3.34Å; F207-V210 PolarHBondContact O-N 3.39Å; F207-A211 HydrophobicContact CE1-CB 4.33Å; F207-A211 VanDerWaalsContact O-CB 3.26Å; F207-A211 WeakPolarHBondContact O-CB 3.4Å; F207-A211 PolarHBondContact O-N 3.04Å; F207-M553 HydrophobicContact CB-CE 3.71Å; F207-M553 HydrophobicContact CD2-CE 4.12Å; F207-M553 HydrophobicContact CG-CE 4.43Å; F207-M557 HydrophobicContact CB-CE 4.12Å; F207-M557 HydrophobicContact CD2-CE 4.37Å; F207-M557 HydrophobicContact CD2-CG 4.02Å; F207-M557 HydrophobicContact CE2-CG 4.42Å |
| 208 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | -179.5 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | V204 Y205 A211 K212 F219 A237 A241 | V204-C208 PolarHBondContact O-N 3.01Å; V204-C208 VanDerWaalsContact O-N 3.12Å; V204-C208 PolarHBondContact O-SG 3.05Å; Y205-C208 PolarHBondContact O-N 3.38Å; Y205-C208 VanDerWaalsContact O-N 3.16Å; C208-A211 PolarHBondContact O-N 2.87Å; C208-K212 WeakPolarHBondContact O-CB 3.38Å; C208-K212 PolarHBondContact O-N 3.24Å; C208-F219 HydrophobicContact CB-CE1 4.28Å; C208-A237 HydrophobicContact CB-CB 4.35Å; C208-A241 HydrophobicContact CB-CB 4.03Å |
| 209 | E | 98.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 25.2 Ų | 25.2 | 36% | 0.355 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -56.5 | -57.1 | 173.6 | -174.1 | -168.3 | 153.5 | 0 | 0 | 111 | Y205 K206 F207 A211 K212 E213 | Y205-E209 PolarHBondContact O-N 2.88Å; K206-E209 WeakPolarHBondContact CD-OE2 3.49Å; K206-E209 IonicContact NZ-OE1 2.93Å; K206-E209 PolarHBondContact NZ-OE1 3.4Å; K206-E209 IonicContact NZ-OE2 3.57Å; K206-E209 PolarHBondContact NZ-OE2 3.21Å; F207-E209 VanDerWaalsContact C-N 3.34Å; E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.45Å; E209-K212 PolarHBondContact O-N 3.16Å; E209-K212 VanDerWaalsContact O-N 3.12Å; E209-E213 WeakPolarHBondContact O-CG 2.87Å; E209-E213 PolarHBondContact O-N 3.38Å |
| 210 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | -178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | W169 K206 F207 N214 E550 M553 | W169-V210 HydrophobicContact CE3-CG1 4.22Å; W169-V210 HydrophobicContact CH2-CB 4.14Å; W169-V210 HydrophobicContact CH2-CG1 3.74Å; W169-V210 HydrophobicContact CZ2-CG1 4.39Å; W169-V210 HydrophobicContact CZ3-CB 4.28Å; W169-V210 HydrophobicContact CZ3-CG1 3.63Å; K206-V210 HydrophobicContact CD-CG2 4.23Å; K206-V210 HydrophobicContact CG-CG2 4.39Å; K206-V210 VanDerWaalsContact O-CG2 3.3Å; K206-V210 WeakPolarHBondContact O-CG2 3.47Å; K206-V210 PolarHBondContact O-N 3.41Å; F207-V210 PolarHBondContact O-N 3.39Å; V210-N214 WeakPolarHBondContact O-CB 3.22Å; V210-N214 PolarHBondContact O-N 3.04Å; V210-N214 VanDerWaalsContact O-N 3.11Å; V210-N214 PolarHBondContact O-ND2 3.42Å; V210-E550 HydrophobicContact CG1-CG 4.12Å; V210-M553 HydrophobicContact CB-CG 4.34Å; V210-M553 HydrophobicContact CG2-CG 3.99Å |
| 211 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W152 W169 M186 F207 C208 E209 N214 G215 M216 F219 | W152-A211 HydrophobicContact CZ3-CB 4.4Å; W169-A211 HydrophobicContact CZ3-CB 4.32Å; M186-A211 HydrophobicContact SD-CB 4.5Å; F207-A211 HydrophobicContact CE1-CB 4.33Å; F207-A211 VanDerWaalsContact O-CB 3.26Å; F207-A211 WeakPolarHBondContact O-CB 3.4Å; F207-A211 PolarHBondContact O-N 3.04Å; C208-A211 PolarHBondContact O-N 2.87Å; E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.45Å; A211-N214 PolarHBondContact O-N 3.33Å; A211-G215 PolarHBondContact O-N 3.44Å; A211-M216 HydrophobicContact CB-CB 4.22Å; A211-M216 WeakPolarHBondContact O-CB 3.2Å; A211-M216 PolarHBondContact O-N 2.92Å; A211-F219 HydrophobicContact CB-CE1 3.93Å; A211-F219 HydrophobicContact CB-CZ 4.01Å |
| 212 | K | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 21.5 Ų | 21.5 | 20% | 0.2 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 178.2 | -177.5 | 52.5 | 174.6 | 179.6 | 0 | 111.7 | C208 E209 N214 G215 M216 D217 F219 A241 G242 | C208-K212 WeakPolarHBondContact O-CB 3.38Å; C208-K212 PolarHBondContact O-N 3.24Å; E209-K212 PolarHBondContact O-N 3.16Å; E209-K212 VanDerWaalsContact O-N 3.12Å; K212-N214 PolarHBondContact O-N 3.1Å; K212-G215 PolarHBondContact O-N 3Å; K212-M216 WeakPolarHBondContact CD-O 3.43Å; K212-M216 PolarHBondContact NZ-O 3.3Å; K212-D217 IonicContact NZ-OD1 3.26Å; K212-D217 PolarHBondContact NZ-OD1 3.02Å; K212-F219 HydrophobicContact CB-CZ 4.39Å; K212-A241 HydrophobicContact CB-CB 4.12Å; K212-A241 VanDerWaalsContact CG-O 3.3Å; K212-A241 WeakPolarHBondContact CG-O 3.32Å; K212-G242 WeakPolarHBondContact CE-O 3.42Å |
| 213 | E | 98.2 | Very high | 98.2 | Very high | 131 Ų | 131 | 19.3 Ų | 19.3 | 61% | 0.612 | 9% | 0.089 | S | C | * | . | H | α-helix | trans | -57.4 | -33.9 | 175.4 | -71.3 | 176.5 | 159 | 0 | 0 | 112.3 | E209 G215 | E209-E213 WeakPolarHBondContact O-CG 2.87Å; E209-E213 PolarHBondContact O-N 3.38Å; E213-G215 VanDerWaalsContact C-N 3.31Å; E213-G215 PolarHBondContact O-N 3.12Å |
| 214 | N | 98.3 | Very high | 98 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 9% | 0.086 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3 | 178.8 | -80.7 | -81.4 | 0 | 0 | 0 | 114.6 | W169 L172 Q173 V210 A211 K212 E550 | W169-N214 HydrophobicContact CE3-CB 4.27Å; L172-N214 HydrophobicContact CD2-CB 3.82Å; L172-N214 HydrophobicContact CG-CB 4.48Å; Q173-N214 WeakPolarHBondContact CG-OD1 3.43Å; Q173-N214 PolarHBondContact NE2-OD1 2.89Å; V210-N214 WeakPolarHBondContact O-CB 3.22Å; V210-N214 PolarHBondContact O-N 3.04Å; V210-N214 VanDerWaalsContact O-N 3.11Å; V210-N214 PolarHBondContact O-ND2 3.42Å; A211-N214 PolarHBondContact O-N 3.33Å; K212-N214 PolarHBondContact O-N 3.1Å; N214-E550 PolarHBondContact ND2-OE1 3.27Å; N214-E550 PolarHBondContact OD1-OE1 3.49Å |
| 215 | G | 97.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 19.5 Ų | 19.5 | 9% | 0.093 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | 15.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R176 A211 K212 E213 | R176-G215 WeakPolarHBondContact CD-O 3.32Å; A211-G215 PolarHBondContact O-N 3.44Å; K212-G215 PolarHBondContact O-N 3Å; E213-G215 VanDerWaalsContact C-N 3.31Å; E213-G215 PolarHBondContact O-N 3.12Å |
| 216 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -71.6 | 135.9 | 166.5 | -171.9 | 51.5 | 55.4 | 0 | 0 | 110.6 | W152 L172 F184 Q185 M186 A211 K212 F219 | W152-M216 HydrophobicContact CB-CE 3.46Å; W152-M216 VanDerWaalsContact CB-CE 3.46Å; W152-M216 HydrophobicContact CD2-CE 4.36Å; W152-M216 HydrophobicContact CE3-CE 4.22Å; W152-M216 HydrophobicContact CG-CE 4.11Å; L172-M216 HydrophobicContact CD1-CE 3.76Å; L172-M216 HydrophobicContact CD2-CE 4.36Å; F184-M216 HydrophobicContact CB-CE 4.33Å; F184-M216 HydrophobicContact CB-SD 4.13Å; Q185-M216 VanDerWaalsContact C-SD 3.52Å; M186-M216 HydrophobicContact CB-CE 3.78Å; M186-M216 HydrophobicContact CB-CG 4.32Å; M186-M216 HydrophobicContact CB-SD 3.65Å; M186-M216 HydrophobicContact CG-CE 4.24Å; M186-M216 HydrophobicContact CG-CG 3.74Å; M186-M216 HydrophobicContact CG-SD 3.7Å; M186-M216 PolarHBondContact N-SD 2.97Å; M186-M216 VanDerWaalsContact N-SD 3.43Å; M186-M216 HydrophobicContact SD-CG 3.89Å; M186-M216 HydrophobicContact SD-SD 4.45Å; A211-M216 HydrophobicContact CB-CB 4.22Å; A211-M216 WeakPolarHBondContact O-CB 3.2Å; A211-M216 PolarHBondContact O-N 2.92Å; K212-M216 WeakPolarHBondContact CD-O 3.43Å; K212-M216 PolarHBondContact NZ-O 3.3Å; M216-F219 HydrophobicContact CB-CZ 4.07Å; M216-F219 HydrophobicContact CG-CE1 4.01Å; M216-F219 HydrophobicContact CG-CE2 4.05Å; M216-F219 HydrophobicContact CG-CZ 3.76Å | ||
| 217 | D | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | trans | -111.2 | -45.5 | -173.9 | -66.9 | -50.9 | 0 | 0 | 0 | 112.7 | R87 L90 R176 P183 F184 K212 V244 | R87-D217 VanDerWaalsContact CD-OD2 3.3Å; R87-D217 WeakPolarHBondContact CD-OD2 3.38Å; R87-D217 IonicContact NE-OD1 3.21Å; R87-D217 IonicContact NE-OD2 3.37Å; R87-D217 PolarHBondContact NE-OD2 3.02Å; L90-D217 HydrophobicContact CD2-CB 3.59Å; R176-D217 IonicContact NH1-OD2 2.6Å; R176-D217 PolarHBondContact NH1-OD2 2.97Å; P183-D217 HydrophobicContact CB-CB 4.18Å; F184-D217 PolarHBondContact N-OD2 2.86Å; F184-D217 CarbonylContact O-C 3.25Å; F184-D217 WeakPolarHBondContact O-CA 3.38Å; F184-D217 WeakPolarHBondContact O-CB 3.18Å; F184-D217 PolarHBondContact O-N 3.36Å; K212-D217 IonicContact NZ-OD1 3.26Å; K212-D217 PolarHBondContact NZ-OD1 3.02Å; D217-V244 PolarHBondContact O-N 3.17Å | ||
| 218 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.3 | -173.9 | -48.9 | -177.9 | 0 | 0 | 0 | 110.1 | F98 F147 P183 F184 Q185 M186 V244 E246 | F98-I218 HydrophobicContact CE1-CD1 3.78Å; F98-I218 HydrophobicContact CE1-CG1 4.49Å; F98-I218 HydrophobicContact CZ-CD1 3.73Å; F147-I218 HydrophobicContact CE1-CD1 3.96Å; F147-I218 HydrophobicContact CE2-CD1 4.31Å; F147-I218 HydrophobicContact CZ-CD1 3.73Å; P183-I218 HydrophobicContact CB-CD1 3.92Å; P183-I218 HydrophobicContact CB-CG1 4.24Å; F184-I218 PolarHBondContact O-N 2.88Å; Q185-I218 WeakPolarHBondContact CA-O 3.46Å; Q185-I218 HydrophobicContact CB-CB 4.06Å; Q185-I218 HydrophobicContact CG-CB 4.06Å; Q185-I218 HydrophobicContact CG-CG2 4.14Å; M186-I218 PolarHBondContact N-O 2.84Å; I218-V244 HydrophobicContact CB-CB 4.29Å; I218-V244 HydrophobicContact CG1-CB 4.01Å; I218-V244 HydrophobicContact CG1-CG2 4.21Å; I218-V244 HydrophobicContact CG2-CB 4.17Å; I218-V244 HydrophobicContact CG2-CG1 4.3Å; I218-E246 HydrophobicContact CG2-CB 4.18Å |
| 219 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 104.3 | 176.8 | -63.7 | -99.5 | 0 | 0 | 0 | 108.9 | M186 L188 C208 A211 K212 M216 V221 A238 V244 E246 | M186-F219 HydrophobicContact CG-CD1 3.84Å; M186-F219 HydrophobicContact CG-CE1 4.25Å; M186-F219 HydrophobicContact CG-CG 4.43Å; M186-F219 HydrophobicContact SD-CD1 3.54Å; M186-F219 VanDerWaalsContact SD-CD1 3.54Å; M186-F219 HydrophobicContact SD-CE1 3.5Å; M186-F219 WeakPolarHBondContact SD-CE1 3.38Å; L188-F219 HydrophobicContact CD2-CD1 4.23Å; C208-F219 HydrophobicContact CB-CE1 4.28Å; A211-F219 HydrophobicContact CB-CE1 3.93Å; A211-F219 HydrophobicContact CB-CZ 4.01Å; K212-F219 HydrophobicContact CB-CZ 4.39Å; M216-F219 HydrophobicContact CB-CZ 4.07Å; M216-F219 HydrophobicContact CG-CE1 4.01Å; M216-F219 HydrophobicContact CG-CE2 4.05Å; M216-F219 HydrophobicContact CG-CZ 3.76Å; F219-V221 HydrophobicContact CB-CG2 4.3Å; F219-V221 PolarHBondContact O-N 3.18Å; F219-A238 HydrophobicContact CB-CB 3.61Å; F219-A238 HydrophobicContact CD1-CB 4.2Å; F219-A238 HydrophobicContact CD2-CB 3.97Å; F219-A238 HydrophobicContact CG-CB 3.67Å; F219-V244 PolarHBondContact N-O 3.07Å; F219-E246 PolarHBondContact O-N 3.45Å |
| 220 | R | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 96.9 | 170.6 | -177 | -178 | -77.1 | 176.6 | -16.3 | 108.8 | E150 Q185 M186 L187 L188 E246 A248 H314 D340 | E150-R220 IonicContact OE1-NH1 3.06Å; Q185-R220 VanDerWaalsContact NE2-CZ 3.26Å; M186-R220 WeakPolarHBondContact O-CB 3.47Å; M186-R220 PolarHBondContact O-N 2.7Å; L187-R220 HydrophobicContact CD1-CB 4.3Å; L187-R220 HydrophobicContact CD1-CG 3.96Å; L188-R220 PolarHBondContact N-O 2.9Å; R220-E246 CarbonylContact C-O 2.86Å; R220-E246 VanDerWaalsContact CA-O 3.31Å; R220-E246 WeakPolarHBondContact CA-O 3.3Å; R220-E246 HydrophobicContact CG-CG 4.32Å; R220-E246 IonicContact CZ-OE1 2.75Å; R220-E246 IonicContact NE-OE1 3.32Å; R220-E246 PolarHBondContact NE-OE1 3.06Å; R220-E246 IonicContact NE-OE2 3.44Å; R220-E246 IonicContact NH2-OE1 2.65Å; R220-E246 PolarHBondContact NH2-OE1 2.76Å; R220-A248 HydrophobicContact CG-CB 3.74Å; R220-H314 PolarHBondContact NH2-CE1 3.32Å; R220-H314 PolarHBondContact NH2-ND1 3.03Å; R220-H314 PolarHBondContact NH2-NE2 3.25Å; R220-H314 VanDerWaalsContact NH2-NE2 3.12Å; R220-D340 IonicContact CZ-OD1 2.9Å; R220-D340 IonicContact CZ-OD2 3.86Å; R220-D340 IonicContact NH1-OD1 2.7Å; R220-D340 IonicContact NH1-OD2 3.21Å; R220-D340 PolarHBondContact NH1-OD2 2.82Å; R220-D340 IonicContact NH2-OD1 3.02Å; R220-D340 PolarHBondContact NH2-OD1 3.26Å; R220-D340 VanDerWaalsContact NH2-OD1 3.09Å; R220-D340 IonicContact NH2-OD2 3.2Å; R220-D340 PolarHBondContact NH2-OD2 2.85Å |
| 221 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.1 | -175.9 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | L188 F219 M235 A238 E246 A248 | L188-V221 HydrophobicContact CD2-CG2 4.06Å; L188-V221 WeakPolarHBondContact O-CA 3.41Å; F219-V221 HydrophobicContact CB-CG2 4.3Å; F219-V221 PolarHBondContact O-N 3.18Å; V221-M235 HydrophobicContact CB-CG 4.15Å; V221-M235 HydrophobicContact CG1-CG 4.15Å; V221-M235 HydrophobicContact CG2-CG 4.35Å; V221-A238 HydrophobicContact CG2-CB 4.47Å; V221-E246 PolarHBondContact N-O 3.34Å; V221-A248 PolarHBondContact O-N 2.9Å |
| 222 | F | 97.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 162.2 | 175.7 | 82.9 | -70.3 | 0 | 0 | 0 | 111.4 | L187 L188 R189 G190 A248 V452 | L187-F222 HydrophobicContact CD1-CD1 3.42Å; L187-F222 VanDerWaalsContact CD1-CD1 3.42Å; L187-F222 HydrophobicContact CD1-CE1 3.76Å; L187-F222 HydrophobicContact CD1-CG 4.19Å; L187-F222 HydrophobicContact CD2-CD1 4.34Å; L187-F222 HydrophobicContact CD2-CE1 3.85Å; L187-F222 HydrophobicContact CD2-CZ 4.28Å; L187-F222 HydrophobicContact CG-CD1 3.77Å; L187-F222 HydrophobicContact CG-CE1 3.54Å; L187-F222 HydrophobicContact CG-CZ 4.44Å; L188-F222 VanDerWaalsContact O-CD1 3.3Å; L188-F222 WeakPolarHBondContact O-CD1 3.23Å; L188-F222 PolarHBondContact O-N 2.66Å; R189-F222 CarbonylContact C-O 3.3Å; R189-F222 WeakPolarHBondContact CA-O 3.13Å; R189-F222 HydrophobicContact CB-CD1 4.45Å; R189-F222 HydrophobicContact CB-CE1 3.71Å; R189-F222 HydrophobicContact CB-CZ 3.97Å; R189-F222 HydrophobicContact CG-CE1 4.04Å; R189-F222 HydrophobicContact CG-CE2 4.36Å; R189-F222 HydrophobicContact CG-CZ 3.86Å; G190-F222 PolarHBondContact N-O 3.27Å; F222-A248 HydrophobicContact CB-CB 4.05Å; F222-V452 HydrophobicContact CD2-CG1 4.04Å; F222-V452 HydrophobicContact CD2-CG2 4.32Å; F222-V452 HydrophobicContact CE2-CB 4.36Å; F222-V452 HydrophobicContact CE2-CG1 3.71Å; F222-V452 HydrophobicContact CE2-CG2 3.68Å; F222-V452 HydrophobicContact CZ-CG2 4.4Å |
| 223 | D | 96 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -123.1 | 144 | 165.4 | 177.4 | -91.7 | 0 | 0 | 0 | 110.3 | L225 N226 Y227 N230 M231 | D223-L225 PolarHBondContact O-N 2.59Å; D223-L225 VanDerWaalsContact O-N 3.13Å; D223-L225 WeakPolarHBondContact OD1-CA 3.38Å; D223-L225 PolarHBondContact OD1-N 3.41Å; D223-N226 PolarHBondContact O-N 3.12Å; D223-N226 VanDerWaalsContact O-N 3.11Å; D223-N226 PolarHBondContact OD1-N 2.71Å; D223-Y227 VanDerWaalsContact OD1-CB 3.28Å; D223-Y227 WeakPolarHBondContact OD1-CB 3.2Å; D223-Y227 PolarHBondContact OD1-N 3.04Å; D223-N230 HydrophobicContact CB-CB 4.26Å; D223-N230 VanDerWaalsContact OD2-CB 3.26Å; D223-N230 WeakPolarHBondContact OD2-CB 3.14Å; D223-N230 PolarHBondContact OD2-ND2 3.44Å; D223-M231 HydrophobicContact CB-CG 3.5Å; D223-M231 VanDerWaalsContact CB-CG 3.5Å; D223-M231 HydrophobicContact CB-SD 4.23Å | ||
| 224 | S | 93.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14 | -174.3 | 66.4 | 0 | 0 | 0 | 0 | 115.7 | I450 V452 S455 V497 | S224-I450 WeakPolarHBondContact O-CG2 3.33Å; S224-V452 VanDerWaalsContact CA-CG1 3.41Å; S224-S455 PolarHBondContact O-OG 3.41Å; S224-V497 VanDerWaalsContact OG-CG1 3.26Å; S224-V497 WeakPolarHBondContact OG-CG1 3.36Å |
| 225 | L | 95.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 9.6 | 178.2 | -58.1 | 176.2 | 0 | 0 | 0 | 111.4 | D223 Y227 L449 I450 F492 V497 P500 | D223-L225 PolarHBondContact O-N 2.59Å; D223-L225 VanDerWaalsContact O-N 3.13Å; D223-L225 WeakPolarHBondContact OD1-CA 3.38Å; D223-L225 PolarHBondContact OD1-N 3.41Å; L225-Y227 PolarHBondContact O-N 3.14Å; L225-L449 HydrophobicContact CD2-CD2 4.41Å; L225-I450 WeakPolarHBondContact O-CD1 3.5Å; L225-F492 HydrophobicContact CD1-CE2 4.13Å; L225-F492 HydrophobicContact CD2-CE2 4.38Å; L225-V497 HydrophobicContact CD1-CG1 4.22Å; L225-V497 HydrophobicContact CG-CG1 4.48Å; L225-P500 HydrophobicContact CD1-CB 4.43Å; L225-P500 HydrophobicContact CD2-CB 4.47Å |
| 226 | N | 97.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 16.5 Ų | 16.5 | 5% | 0.053 | 8% | 0.084 | C | C | . | . | trans | 49.4 | 34.9 | -164.9 | -69.4 | -18.6 | 0 | 0 | 0 | 112.4 | D223 L228 S250 Y267 L271 I450 | D223-N226 PolarHBondContact O-N 3.12Å; D223-N226 VanDerWaalsContact O-N 3.11Å; D223-N226 PolarHBondContact OD1-N 2.71Å; N226-L228 PolarHBondContact O-N 3.24Å; N226-L228 VanDerWaalsContact O-N 3.13Å; N226-S250 PolarHBondContact ND2-O 3.4Å; N226-S250 VanDerWaalsContact OD1-CB 3.31Å; N226-S250 WeakPolarHBondContact OD1-CB 3.37Å; N226-S250 PolarHBondContact OD1-N 3.21Å; N226-S250 PolarHBondContact OD1-OG 3.22Å; N226-Y267 VanDerWaalsContact CB-OH 3.25Å; N226-Y267 WeakPolarHBondContact CB-OH 3.47Å; N226-Y267 PolarHBondContact ND2-OH 2.9Å; N226-Y267 VanDerWaalsContact ND2-OH 3.08Å; N226-L271 HydrophobicContact CB-CD2 3.73Å; N226-I450 HydrophobicContact CB-CD1 3.68Å; N226-I450 VanDerWaalsContact ND2-CD1 3.27Å; N226-I450 WeakPolarHBondContact ND2-CD1 3.36Å | ||
| 227 | Y | 96 | Very high | 97.3 | Very high | 38 Ų | 38 | 16.5 Ų | 16.5 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | trans | -76.1 | 100.9 | 179.4 | -175.3 | -126.2 | 0 | 0 | 0 | 110.2 | D223 L225 P229 N230 M231 I499 | D223-Y227 VanDerWaalsContact OD1-CB 3.28Å; D223-Y227 WeakPolarHBondContact OD1-CB 3.2Å; D223-Y227 PolarHBondContact OD1-N 3.04Å; L225-Y227 PolarHBondContact O-N 3.14Å; Y227-P229 VanDerWaalsContact C-CD 3.47Å; Y227-P229 HydrophobicContact CD1-CB 4.45Å; Y227-P229 HydrophobicContact CD1-CG 4.49Å; Y227-P229 HydrophobicContact CD2-CG 4.4Å; Y227-P229 HydrophobicContact CE1-CB 3.91Å; Y227-P229 HydrophobicContact CE1-CG 3.94Å; Y227-P229 HydrophobicContact CE2-CG 3.82Å; Y227-N230 HydrophobicContact CD1-CB 4.34Å; Y227-N230 WeakPolarHBondContact O-CB 3.43Å; Y227-N230 PolarHBondContact O-N 3.06Å; Y227-M231 PolarHBondContact O-N 3.46Å; Y227-I499 HydrophobicContact CD2-CB 4.06Å; Y227-I499 WeakPolarHBondContact CD2-O 3.39Å; Y227-I499 HydrophobicContact CE2-CB 3.8Å; Y227-I499 HydrophobicContact CE2-CD1 4.21Å; Y227-I499 HydrophobicContact CE2-CG1 4.12Å | ||
| 228 | L | 96.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 16.5 Ų | 16.5 | 20% | 0.199 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -49.2 | -44.1 | -171.6 | -175.5 | 65.1 | 0 | 0 | 0 | 114.5 | N226 N230 M231 L232 L271 E274 L275 | N226-L228 PolarHBondContact O-N 3.24Å; N226-L228 VanDerWaalsContact O-N 3.13Å; L228-N230 PolarHBondContact O-N 3.01Å; L228-M231 WeakPolarHBondContact O-CB 3.24Å; L228-M231 PolarHBondContact O-N 2.73Å; L228-L232 HydrophobicContact CD1-CD2 4.09Å; L228-L232 HydrophobicContact CD1-CG 4.06Å; L228-L232 HydrophobicContact CG-CD1 4.07Å; L228-L232 HydrophobicContact CG-CG 4.06Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 3.31Å; L228-L271 HydrophobicContact CD1-CD1 4.28Å; L228-E274 HydrophobicContact CD1-CB 4.31Å; L228-E274 HydrophobicContact CD2-CB 3.79Å; L228-E274 HydrophobicContact CD2-CG 4.13Å; L228-L275 HydrophobicContact CD1-CD2 3.63Å; L228-L275 HydrophobicContact CD1-CG 4.42Å |
| 229 | P | 95.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 18 Ų | 18 | 33% | 0.325 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -58.6 | -31.4 | 178.9 | -27.9 | 38.6 | 0 | 0 | 0 | 114.7 | Y227 | Y227-P229 VanDerWaalsContact C-CD 3.47Å; Y227-P229 HydrophobicContact CD1-CB 4.45Å; Y227-P229 HydrophobicContact CD1-CG 4.49Å; Y227-P229 HydrophobicContact CD2-CG 4.4Å; Y227-P229 HydrophobicContact CE1-CB 3.91Å; Y227-P229 HydrophobicContact CE1-CG 3.94Å; Y227-P229 HydrophobicContact CE2-CG 3.82Å |
| 230 | N | 95 | Very high | 97.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73 | -39.9 | 174.3 | -74.8 | -7 | 0 | 0 | 0 | 111.4 | G190 A191 D223 Y227 L228 G234 V497 R522 | G190-N230 CarbonylContact C-O 3.33Å; G190-N230 VanDerWaalsContact CA-O 3.25Å; G190-N230 WeakPolarHBondContact CA-O 3.21Å; A191-N230 HydrophobicContact CB-CB 3.96Å; A191-N230 PolarHBondContact N-O 2.76Å; D223-N230 HydrophobicContact CB-CB 4.26Å; D223-N230 VanDerWaalsContact OD2-CB 3.26Å; D223-N230 WeakPolarHBondContact OD2-CB 3.14Å; D223-N230 PolarHBondContact OD2-ND2 3.44Å; Y227-N230 HydrophobicContact CD1-CB 4.34Å; Y227-N230 WeakPolarHBondContact O-CB 3.43Å; Y227-N230 PolarHBondContact O-N 3.06Å; L228-N230 PolarHBondContact O-N 3.01Å; N230-G234 PolarHBondContact O-N 2.75Å; N230-V497 PolarHBondContact ND2-O 3.09Å; N230-R522 WeakPolarHBondContact OD1-CD 3.49Å; N230-R522 VanDerWaalsContact OD1-CG 3.26Å; N230-R522 WeakPolarHBondContact OD1-CG 3.34Å |
| 231 | M | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 179.1 | -63.6 | -175.8 | 66.8 | 0 | 0 | 111.1 | D223 Y227 L228 L233 G234 M235 A248 L275 | D223-M231 HydrophobicContact CB-CG 3.5Å; D223-M231 VanDerWaalsContact CB-CG 3.5Å; D223-M231 HydrophobicContact CB-SD 4.23Å; Y227-M231 PolarHBondContact O-N 3.46Å; L228-M231 WeakPolarHBondContact O-CB 3.24Å; L228-M231 PolarHBondContact O-N 2.73Å; M231-L233 VanDerWaalsContact C-N 3.33Å; M231-L233 PolarHBondContact O-N 3.02Å; M231-G234 PolarHBondContact O-N 3.42Å; M231-G234 VanDerWaalsContact O-N 3.09Å; M231-M235 VanDerWaalsContact O-CG 3.3Å; M231-M235 WeakPolarHBondContact O-CG 3.47Å; M231-M235 PolarHBondContact O-N 3.45Å; M231-A248 WeakPolarHBondContact CE-O 3.4Å; M231-L275 HydrophobicContact CB-CD2 4.39Å; M231-L275 HydrophobicContact CE-CD1 3.76Å; M231-L275 HydrophobicContact CE-CD2 3.67Å; M231-L275 HydrophobicContact CE-CG 4.38Å; M231-L275 HydrophobicContact SD-CD2 4.2Å |
| 232 | L | 97.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 25 Ų | 25 | 36% | 0.361 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.6 | -43.6 | -179.4 | -66.8 | 178.9 | 0 | 0 | 0 | 112.3 | L228 G234 M235 E236 A278 | L228-L232 HydrophobicContact CD1-CD2 4.09Å; L228-L232 HydrophobicContact CD1-CG 4.06Å; L228-L232 HydrophobicContact CG-CD1 4.07Å; L228-L232 HydrophobicContact CG-CG 4.06Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 3.31Å; L232-G234 PolarHBondContact O-N 3.44Å; L232-M235 HydrophobicContact CD2-SD 4.44Å; L232-M235 PolarHBondContact O-N 2.9Å; L232-E236 WeakPolarHBondContact O-CB 3.39Å; L232-E236 PolarHBondContact O-N 3.18Å; L232-A278 HydrophobicContact CD2-CB 3.36Å |
| 233 | L | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.3 | 174.9 | 66 | 0 | 0 | 0 | 112 | A191 D201 V204 Y205 M231 E236 A237 | A191-L233 HydrophobicContact CB-CD2 3.94Å; D201-L233 HydrophobicContact CB-CD1 3.99Å; D201-L233 HydrophobicContact CB-CD2 4.43Å; V204-L233 HydrophobicContact CG2-CD2 4.33Å; Y205-L233 HydrophobicContact CD2-CD1 4.34Å; Y205-L233 HydrophobicContact CE2-CD1 3.57Å; M231-L233 VanDerWaalsContact C-N 3.33Å; M231-L233 PolarHBondContact O-N 3.02Å; L233-E236 PolarHBondContact O-N 3.07Å; L233-A237 VanDerWaalsContact O-CB 3.3Å; L233-A237 WeakPolarHBondContact O-CB 3.4Å; L233-A237 PolarHBondContact O-N 3.24Å |
| 234 | G | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N230 M231 L232 A238 | N230-G234 PolarHBondContact O-N 2.75Å; M231-G234 PolarHBondContact O-N 3.42Å; M231-G234 VanDerWaalsContact O-N 3.09Å; L232-G234 PolarHBondContact O-N 3.44Å; G234-A238 WeakPolarHBondContact O-CB 3.36Å; G234-A238 PolarHBondContact O-N 2.89Å |
| 235 | M | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 175 | -70.5 | 173.1 | 63.2 | 0 | 0 | 111 | V221 M231 L232 A238 G239 V245 A247 L275 A278 | V221-M235 HydrophobicContact CB-CG 4.15Å; V221-M235 HydrophobicContact CG1-CG 4.15Å; V221-M235 HydrophobicContact CG2-CG 4.35Å; M231-M235 VanDerWaalsContact O-CG 3.3Å; M231-M235 WeakPolarHBondContact O-CG 3.47Å; M231-M235 PolarHBondContact O-N 3.45Å; L232-M235 HydrophobicContact CD2-SD 4.44Å; L232-M235 PolarHBondContact O-N 2.9Å; M235-A238 PolarHBondContact O-N 2.84Å; M235-G239 PolarHBondContact O-N 3.49Å; M235-V245 HydrophobicContact CB-CG1 3.79Å; M235-V245 HydrophobicContact CE-CG1 4.12Å; M235-V245 HydrophobicContact CG-CG1 3.66Å; M235-V245 WeakPolarHBondContact O-CG2 3.33Å; M235-A247 HydrophobicContact CE-CB 4.04Å; M235-A247 HydrophobicContact SD-CB 3.85Å; M235-L275 HydrophobicContact SD-CD2 3.8Å; M235-A278 HydrophobicContact CE-CB 3.76Å |
| 236 | E | 98.5 | Very high | 97.8 | Very high | 116 Ų | 116 | 25.1 Ų | 25.1 | 54% | 0.542 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 178.2 | -165.8 | -178.3 | -176.2 | 0 | 0 | 111.5 | Y205 L232 L233 S240 | Y205-E236 HydrophobicContact CE1-CG 4.39Å; Y205-E236 WeakPolarHBondContact OH-CG 3.33Å; Y205-E236 PolarHBondContact OH-OE1 2.91Å; Y205-E236 PolarHBondContact OH-OE2 3.34Å; L232-E236 WeakPolarHBondContact O-CB 3.39Å; L232-E236 PolarHBondContact O-N 3.18Å; L233-E236 PolarHBondContact O-N 3.07Å; E236-S240 WeakPolarHBondContact O-CB 3.13Å; E236-S240 PolarHBondContact O-N 3.02Å; E236-S240 PolarHBondContact O-OG 3.37Å |
| 237 | A | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V204 Y205 C208 L233 A241 | V204-A237 HydrophobicContact CG1-CB 3.96Å; Y205-A237 HydrophobicContact CD1-CB 3.97Å; Y205-A237 HydrophobicContact CD2-CB 4.41Å; Y205-A237 HydrophobicContact CE1-CB 4.16Å; Y205-A237 HydrophobicContact CG-CB 4.09Å; C208-A237 HydrophobicContact CB-CB 4.35Å; L233-A237 VanDerWaalsContact O-CB 3.3Å; L233-A237 WeakPolarHBondContact O-CB 3.4Å; L233-A237 PolarHBondContact O-N 3.24Å; A237-A241 PolarHBondContact O-N 2.86Å; A237-A241 VanDerWaalsContact O-N 3.13Å |
| 238 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F219 V221 G234 M235 A241 G242 G243 V245 | F219-A238 HydrophobicContact CB-CB 3.61Å; F219-A238 HydrophobicContact CD1-CB 4.2Å; F219-A238 HydrophobicContact CD2-CB 3.97Å; F219-A238 HydrophobicContact CG-CB 3.67Å; V221-A238 HydrophobicContact CG2-CB 4.47Å; G234-A238 WeakPolarHBondContact O-CB 3.36Å; G234-A238 PolarHBondContact O-N 2.89Å; M235-A238 PolarHBondContact O-N 2.84Å; A238-A241 PolarHBondContact O-N 2.88Å; A238-G242 PolarHBondContact O-N 2.61Å; A238-G243 PolarHBondContact O-N 3.19Å; A238-V245 HydrophobicContact CB-CG2 4.16Å |
| 239 | G | 98.5 | Very high | 98.1 | Very high | 32 Ų | 32 | 21 Ų | 21 | 33% | 0.33 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M235 A241 G242 | M235-G239 PolarHBondContact O-N 3.49Å; G239-A241 VanDerWaalsContact C-N 3.25Å; G239-A241 PolarHBondContact O-N 3.47Å; G239-G242 WeakPolarHBondContact O-CA 3.49Å; G239-G242 PolarHBondContact O-N 3.25Å |
| 240 | S | 98.5 | Very high | 98.2 | Very high | 85 Ų | 85 | 18.6 Ų | 18.6 | 59% | 0.594 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -63.7 | -30.7 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | E236 G242 | E236-S240 WeakPolarHBondContact O-CB 3.13Å; E236-S240 PolarHBondContact O-N 3.02Å; E236-S240 PolarHBondContact O-OG 3.37Å; S240-G242 PolarHBondContact O-N 3.03Å |
| 241 | A | 98.4 | Very high | 98.3 | Very high | 26 Ų | 26 | 18.6 Ų | 18.6 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C208 K212 A237 A238 G239 | C208-A241 HydrophobicContact CB-CB 4.03Å; K212-A241 HydrophobicContact CB-CB 4.12Å; K212-A241 VanDerWaalsContact CG-O 3.3Å; K212-A241 WeakPolarHBondContact CG-O 3.32Å; A237-A241 PolarHBondContact O-N 2.86Å; A237-A241 VanDerWaalsContact O-N 3.13Å; A238-A241 PolarHBondContact O-N 2.88Å; G239-A241 VanDerWaalsContact C-N 3.25Å; G239-A241 PolarHBondContact O-N 3.47Å |
| 242 | G | 98.3 | Very high | 98.4 | Very high | 37 Ų | 37 | 18.7 Ų | 18.7 | 38% | 0.381 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 20.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | K212 A238 G239 S240 | K212-G242 WeakPolarHBondContact CE-O 3.42Å; A238-G242 PolarHBondContact O-N 2.61Å; G239-G242 WeakPolarHBondContact O-CA 3.49Å; G239-G242 PolarHBondContact O-N 3.25Å; S240-G242 PolarHBondContact O-N 3.03Å |
| 243 | G | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | trans | -83.6 | 159.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A238 V245 | A238-G243 PolarHBondContact O-N 3.19Å; G243-V245 PolarHBondContact O-N 3.33Å | ||
| 244 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 119 | 166.5 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | L90 P95 F98 D217 I218 F219 H281 I282 | L90-V244 HydrophobicContact CD1-CG2 3.41Å; L90-V244 VanDerWaalsContact CD1-CG2 3.41Å; L90-V244 HydrophobicContact CD2-CG2 3.9Å; L90-V244 HydrophobicContact CG-CG2 4.32Å; P95-V244 HydrophobicContact CB-CG2 4.08Å; P95-V244 HydrophobicContact CG-CG2 4.43Å; F98-V244 HydrophobicContact CD1-CG1 3.98Å; F98-V244 HydrophobicContact CD1-CG2 3.81Å; F98-V244 HydrophobicContact CE1-CG1 4.15Å; F98-V244 HydrophobicContact CE1-CG2 4.26Å; F98-V244 HydrophobicContact CG-CG2 4.45Å; D217-V244 PolarHBondContact O-N 3.17Å; I218-V244 HydrophobicContact CB-CB 4.29Å; I218-V244 HydrophobicContact CG1-CB 4.01Å; I218-V244 HydrophobicContact CG1-CG2 4.21Å; I218-V244 HydrophobicContact CG2-CB 4.17Å; I218-V244 HydrophobicContact CG2-CG1 4.3Å; F219-V244 PolarHBondContact N-O 3.07Å; V244-H281 HydrophobicContact CG1-CB 3.96Å; V244-I282 HydrophobicContact CG1-CD1 4.11Å; V244-I282 HydrophobicContact CG1-CG1 4.44Å |
| 245 | V | 98.9 | Very high | 98.2 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 112.2 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | M235 A238 G243 T280 H281 I282 | M235-V245 HydrophobicContact CB-CG1 3.79Å; M235-V245 HydrophobicContact CE-CG1 4.12Å; M235-V245 HydrophobicContact CG-CG1 3.66Å; M235-V245 WeakPolarHBondContact O-CG2 3.33Å; A238-V245 HydrophobicContact CB-CG2 4.16Å; G243-V245 PolarHBondContact O-N 3.33Å; V245-T280 PolarHBondContact O-OG1 3.23Å; V245-H281 WeakPolarHBondContact CB-ND1 3.04Å; V245-H281 PolarHBondContact N-ND1 2.94Å; V245-H281 WeakPolarHBondContact O-CB 3.36Å; V245-H281 PolarHBondContact O-N 3.05Å; V245-I282 PolarHBondContact O-N 3.32Å |
| 246 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 104.2 | 168.6 | 177.3 | -171.9 | 155.8 | 0 | 0 | 108.9 | Q185 I218 F219 R220 V221 A248 I282 S284 H314 | Q185-E246 PolarHBondContact NE2-OE2 2.93Å; I218-E246 HydrophobicContact CG2-CB 4.18Å; F219-E246 PolarHBondContact O-N 3.45Å; R220-E246 CarbonylContact C-O 2.86Å; R220-E246 VanDerWaalsContact CA-O 3.31Å; R220-E246 WeakPolarHBondContact CA-O 3.3Å; R220-E246 HydrophobicContact CG-CG 4.32Å; R220-E246 IonicContact CZ-OE1 2.75Å; R220-E246 IonicContact NE-OE1 3.32Å; R220-E246 PolarHBondContact NE-OE1 3.06Å; R220-E246 IonicContact NE-OE2 3.44Å; R220-E246 IonicContact NH2-OE1 2.65Å; R220-E246 PolarHBondContact NH2-OE1 2.76Å; V221-E246 PolarHBondContact N-O 3.34Å; E246-A248 PolarHBondContact O-N 3.25Å; E246-I282 WeakPolarHBondContact CA-O 3.32Å; E246-I282 HydrophobicContact CB-CB 4.12Å; E246-I282 HydrophobicContact CB-CG2 4.48Å; E246-I282 HydrophobicContact CG-CB 4.04Å; E246-I282 HydrophobicContact CG-CG2 3.88Å; E246-S284 WeakPolarHBondContact OE1-CB 3.4Å; E246-S284 PolarHBondContact OE1-OG 3.13Å; E246-H314 IonicContact OE1-CG 2.84Å; E246-H314 IonicContact OE1-ND1 3.59Å; E246-H314 PolarHBondContact OE1-ND1 2.72Å; E246-H314 IonicContact OE2-ND1 3.89Å |
| 247 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M235 L275 T280 I282 S284 | M235-A247 HydrophobicContact CE-CB 4.04Å; M235-A247 HydrophobicContact SD-CB 3.85Å; A247-L275 HydrophobicContact CB-CB 3.99Å; A247-L275 HydrophobicContact CB-CD1 3.99Å; A247-L275 HydrophobicContact CB-CD2 4.09Å; A247-L275 HydrophobicContact CB-CG 4.24Å; A247-T280 HydrophobicContact CB-CG2 4.32Å; A247-T280 WeakPolarHBondContact CB-OG1 3.45Å; A247-T280 PolarHBondContact N-OG1 3.18Å; A247-I282 PolarHBondContact N-O 2.84Å; A247-I282 VanDerWaalsContact N-O 3.09Å; A247-S284 PolarHBondContact O-N 2.86Å |
| 248 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R220 V221 F222 M231 E246 S284 K286 | R220-A248 HydrophobicContact CG-CB 3.74Å; V221-A248 PolarHBondContact O-N 2.9Å; F222-A248 HydrophobicContact CB-CB 4.05Å; M231-A248 WeakPolarHBondContact CE-O 3.4Å; E246-A248 PolarHBondContact O-N 3.25Å; A248-S284 CarbonylContact C-O 3.18Å; A248-S284 WeakPolarHBondContact CA-O 3.44Å; A248-K286 HydrophobicContact CB-CB 4.38Å |
| 249 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.1 | 172.8 | -56.7 | 173.2 | 0 | 0 | 0 | 108.7 | Y251 Y268 L271 A272 L275 L283 S284 I285 K286 | I249-Y251 PolarHBondContact O-N 2.85Å; I249-Y268 HydrophobicContact CG2-CD1 3.63Å; I249-Y268 HydrophobicContact CG2-CE1 3.91Å; I249-L271 HydrophobicContact CB-CD2 4.34Å; I249-L271 HydrophobicContact CD1-CB 4.31Å; I249-L271 HydrophobicContact CD1-CD2 4.31Å; I249-L271 HydrophobicContact CD1-CG 4.11Å; I249-L271 HydrophobicContact CG1-CD2 3.97Å; I249-L271 HydrophobicContact CG1-CG 4.1Å; I249-L271 HydrophobicContact CG2-CD2 3.62Å; I249-A272 HydrophobicContact CD1-CB 3.86Å; I249-L275 HydrophobicContact CD1-CD1 4.04Å; I249-L275 HydrophobicContact CG1-CD1 3.52Å; I249-L283 HydrophobicContact CD1-CD1 4.14Å; I249-S284 PolarHBondContact N-O 3.01Å; I249-I285 HydrophobicContact CB-CD1 4.01Å; I249-I285 HydrophobicContact CD1-CD1 4.19Å; I249-K286 PolarHBondContact O-N 3.45Å |
| 250 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.7 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 110 | N226 K286 I450 | N226-S250 PolarHBondContact ND2-O 3.4Å; N226-S250 VanDerWaalsContact OD1-CB 3.31Å; N226-S250 WeakPolarHBondContact OD1-CB 3.37Å; N226-S250 PolarHBondContact OD1-N 3.21Å; N226-S250 PolarHBondContact OD1-OG 3.22Å; S250-K286 CarbonylContact C-O 3.35Å; S250-K286 WeakPolarHBondContact CA-O 3.49Å; S250-I450 VanDerWaalsContact CB-CG2 3.47Å |
| 251 | Y | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -89.3 | 132.9 | -178.3 | -178.4 | -92.3 | 0 | 0 | 0 | 111.4 | I249 G253 D254 V255 Y268 K286 D287 M288 L291 L292 L300 | I249-Y251 PolarHBondContact O-N 2.85Å; Y251-G253 WeakPolarHBondContact CE1-O 3.48Å; Y251-D254 WeakPolarHBondContact OH-CA 3.31Å; Y251-V255 HydrophobicContact CE2-CG1 3.78Å; Y251-V255 HydrophobicContact CE2-CG2 4.28Å; Y251-V255 PolarHBondContact OH-N 3.16Å; Y251-V255 VanDerWaalsContact OH-N 3.12Å; Y251-Y268 AromaticContact CD2-CE1 3.91Å; Y251-Y268 HydrophobicContact CD2-CE1 3.91Å; Y251-Y268 AromaticContact CD2-CE2 3.94Å; Y251-Y268 HydrophobicContact CD2-CE2 3.94Å; Y251-Y268 AromaticContact CD2-CZ 3.53Å; Y251-Y268 AromaticContact CE2-CE2 3.89Å; Y251-Y268 HydrophobicContact CE2-CE2 3.89Å; Y251-Y268 AromaticContact CE2-CZ 3.94Å; Y251-K286 PolarHBondContact N-O 3.41Å; Y251-D287 HydrophobicContact CD1-CB 4.3Å; Y251-M288 WeakPolarHBondContact O-CE 3.46Å; Y251-M288 VanDerWaalsContact O-SD 3.37Å; Y251-L291 HydrophobicContact CD1-CB 4.06Å; Y251-L291 HydrophobicContact CE1-CB 3.8Å; Y251-L292 HydrophobicContact CD1-CD2 4.07Å; Y251-L292 HydrophobicContact CD1-CG 3.79Å; Y251-L292 HydrophobicContact CD2-CD2 3.91Å; Y251-L292 HydrophobicContact CD2-CG 4.32Å; Y251-L292 HydrophobicContact CE1-CD2 3.74Å; Y251-L292 HydrophobicContact CE1-CG 3.81Å; Y251-L292 HydrophobicContact CE2-CD2 3.54Å; Y251-L292 HydrophobicContact CE2-CG 4.31Å; Y251-L292 HydrophobicContact CG-CD2 4.16Å; Y251-L292 HydrophobicContact CG-CG 4.06Å; Y251-L292 VanDerWaalsContact CZ-CD2 3.45Å; Y251-L300 HydrophobicContact CD2-CD2 3.84Å; Y251-L300 HydrophobicContact CE2-CD2 3.98Å |
| 252 | T | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -145.7 | 165.1 | 171.6 | -160.9 | 0 | 0 | 0 | 0 | 110.2 | Y263 Y268 I450 | T252-Y263 HydrophobicContact CG2-CD1 3.96Å; T252-Y263 HydrophobicContact CG2-CD2 3.41Å; T252-Y263 VanDerWaalsContact CG2-CD2 3.41Å; T252-Y263 HydrophobicContact CG2-CE1 4.05Å; T252-Y263 HydrophobicContact CG2-CE2 3.51Å; T252-Y263 HydrophobicContact CG2-CG 3.63Å; T252-Y268 PolarHBondContact N-OH 3.35Å; T252-Y268 PolarHBondContact O-OH 3.27Å; T252-I450 HydrophobicContact CG2-CB 4.41Å; T252-I450 HydrophobicContact CG2-CG1 3.59Å | ||
| 253 | G | 95.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 74.7 | -153.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y251 E410 | Y251-G253 WeakPolarHBondContact CE1-O 3.48Å; G253-E410 PolarHBondContact N-OE1 3.45Å |
| 254 | D | 96.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | trans | -149.2 | 103.7 | -176.6 | -173.9 | 7.4 | 0 | 0 | 0 | 110.3 | Y251 S256 D257 K293 | Y251-D254 WeakPolarHBondContact OH-CA 3.31Å; D254-S256 PolarHBondContact O-N 3.44Å; D254-S256 PolarHBondContact OD1-N 2.92Å; D254-S256 PolarHBondContact OD1-OG 3Å; D254-D257 HydrophobicContact CB-CB 3.84Å; D254-D257 PolarHBondContact O-N 2.8Å; D254-K293 WeakPolarHBondContact OD1-CE 3.32Å; D254-K293 IonicContact OD1-NZ 2.83Å; D254-K293 WeakPolarHBondContact OD2-CE 3.4Å; D254-K293 IonicContact OD2-NZ 2.89Å; D254-K293 PolarHBondContact OD2-NZ 3.42Å | ||
| 255 | V | 96.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 13% | 0.127 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.2 | -177.8 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | Y251 Y268 L300 | Y251-V255 HydrophobicContact CE2-CG1 3.78Å; Y251-V255 HydrophobicContact CE2-CG2 4.28Å; Y251-V255 PolarHBondContact OH-N 3.16Å; Y251-V255 VanDerWaalsContact OH-N 3.12Å; V255-Y268 HydrophobicContact CG1-CD2 3.48Å; V255-Y268 VanDerWaalsContact CG1-CD2 3.48Å; V255-Y268 HydrophobicContact CG1-CE2 3.44Å; V255-Y268 VanDerWaalsContact CG1-CE2 3.44Å; V255-L300 HydrophobicContact CG2-CB 4.32Å |
| 256 | S | 95.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -5.1 | 173.9 | 71 | 0 | 0 | 0 | 0 | 113.4 | D254 P258 | D254-S256 PolarHBondContact O-N 3.44Å; D254-S256 PolarHBondContact OD1-N 2.92Å; D254-S256 PolarHBondContact OD1-OG 3Å; S256-P258 WeakPolarHBondContact O-CD 3.38Å |
| 257 | D | 95.1 | Very high | 96.1 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | -93.4 | 110.3 | 176.9 | -174.1 | -6.9 | 0 | 0 | 0 | 111.3 | D254 M259 R260 | D254-D257 HydrophobicContact CB-CB 3.84Å; D254-D257 PolarHBondContact O-N 2.8Å; D257-M259 PolarHBondContact O-N 3.44Å; D257-M259 VanDerWaalsContact O-N 3.1Å; D257-M259 VanDerWaalsContact OD1-CB 3.32Å; D257-M259 WeakPolarHBondContact OD1-CB 3.37Å; D257-M259 PolarHBondContact OD1-N 3.48Å; D257-R260 HydrophobicContact CB-CB 4.35Å; D257-R260 HydrophobicContact CB-CG 4.41Å; D257-R260 PolarHBondContact O-N 3.49Å; D257-R260 VanDerWaalsContact O-N 3.13Å | ||
| 258 | P | 90.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 40.1 Ų | 40.1 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.3 | 178.2 | 28.8 | -35.5 | 0 | 0 | 0 | 113.3 | S256 Q261 | S256-P258 WeakPolarHBondContact O-CD 3.38Å; P258-Q261 VanDerWaalsContact C-NE2 3.26Å; P258-Q261 WeakPolarHBondContact O-CG 3.15Å; P258-Q261 PolarHBondContact O-NE2 3Å |
| 259 | M | 92.7 | Very high | 96.1 | Very high | 163 Ų | 163 | 41.6 Ų | 41.6 | 80% | 0.803 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -15.3 | 177.8 | -58.9 | -56.8 | -60.8 | 0 | 0 | 113.4 | D257 | D257-M259 PolarHBondContact O-N 3.44Å; D257-M259 VanDerWaalsContact O-N 3.1Å; D257-M259 VanDerWaalsContact OD1-CB 3.32Å; D257-M259 WeakPolarHBondContact OD1-CB 3.37Å; D257-M259 PolarHBondContact OD1-N 3.48Å |
| 260 | R | 89.4 | Confident | 96.1 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | trans | -104.7 | 72.1 | -179.9 | -66.5 | -164.5 | 77.3 | -176.2 | -1.1 | 112.3 | D257 E410 D448 | D257-R260 HydrophobicContact CB-CB 4.35Å; D257-R260 HydrophobicContact CB-CG 4.41Å; D257-R260 PolarHBondContact O-N 3.49Å; D257-R260 VanDerWaalsContact O-N 3.13Å; R260-E410 IonicContact CZ-OE1 3.11Å; R260-E410 VanDerWaalsContact CZ-OE1 3.27Å; R260-E410 IonicContact NH1-OE1 3.2Å; R260-E410 PolarHBondContact NH1-OE1 2.73Å; R260-E410 IonicContact NH2-OE1 3.81Å; R260-E410 PolarHBondContact NH2-OE1 2.97Å; R260-E410 IonicContact NH2-OE2 3.32Å; R260-D448 IonicContact NH2-OD1 2.81Å; R260-D448 IonicContact NH2-OD2 3.58Å | ||
| 261 | Q | 92.3 | Very high | 96.1 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | trans | -85.2 | -9.1 | -172.2 | -65.2 | -55 | -54.4 | 0 | 0 | 116.3 | P258 Y263 | P258-Q261 VanDerWaalsContact C-NE2 3.26Å; P258-Q261 WeakPolarHBondContact O-CG 3.15Å; P258-Q261 PolarHBondContact O-NE2 3Å; Q261-Y263 VanDerWaalsContact C-N 3.34Å; Q261-Y263 PolarHBondContact O-N 3.26Å | ||
| 262 | K | 95.5 | Very high | 96.1 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -41.6 | 179 | -175.1 | 179.4 | 179.7 | -170.8 | 0 | 112.1 | G447 D448 H501 | K262-G447 PolarHBondContact NZ-O 3.48Å; K262-D448 HydrophobicContact CD-CB 4.23Å; K262-D448 PolarHBondContact NZ-O 3.04Å; K262-H501 WeakPolarHBondContact CE-O 3.29Å; K262-H501 PolarHBondContact NZ-O 2.78Å |
| 263 | Y | 97.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 62.9 | 177.6 | -57.9 | -74.2 | 0 | 0 | 0 | 109.1 | T252 Q261 Y267 Y268 D448 I450 H501 | T252-Y263 HydrophobicContact CG2-CD1 3.96Å; T252-Y263 HydrophobicContact CG2-CD2 3.41Å; T252-Y263 VanDerWaalsContact CG2-CD2 3.41Å; T252-Y263 HydrophobicContact CG2-CE1 4.05Å; T252-Y263 HydrophobicContact CG2-CE2 3.51Å; T252-Y263 HydrophobicContact CG2-CG 3.63Å; Q261-Y263 VanDerWaalsContact C-N 3.34Å; Q261-Y263 PolarHBondContact O-N 3.26Å; Y263-Y267 HydrophobicContact CD1-CD1 4.04Å; Y263-Y267 AromaticContact CD1-CE1 3.72Å; Y263-Y267 HydrophobicContact CD1-CE1 3.72Å; Y263-Y267 HydrophobicContact CD1-CE2 4.39Å; Y263-Y267 AromaticContact CD1-CZ 3.92Å; Y263-Y267 HydrophobicContact CE1-CE1 4.45Å; Y263-Y268 WeakPolarHBondContact O-CE2 3.11Å; Y263-D448 WeakPolarHBondContact CE2-O 3.35Å; Y263-D448 PolarHBondContact OH-O 3.06Å; Y263-I450 HydrophobicContact CD1-CG1 4.48Å; Y263-I450 HydrophobicContact CE1-CD1 3.79Å; Y263-I450 HydrophobicContact CE1-CG1 3.77Å; Y263-I450 PolarHBondContact OH-N 3.43Å; Y263-H501 HydrophobicContact CE1-CB 4.17Å |
| 264 | S | 97.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -75.3 | 170.7 | -178.9 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | D266 Y267 Y268 | S264-D266 PolarHBondContact O-N 3.05Å; S264-Y267 WeakPolarHBondContact O-CB 3.26Å; S264-Y267 PolarHBondContact O-N 2.93Å; S264-Y267 VanDerWaalsContact O-N 3.12Å; S264-Y267 PolarHBondContact OG-N 3.47Å; S264-Y268 WeakPolarHBondContact O-CD2 3.42Å; S264-Y268 PolarHBondContact O-N 3.43Å | ||
| 265 | L | 97.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.6 | -41 | 172.1 | -177.5 | 61.8 | 0 | 0 | 0 | 112.2 | Y267 Y268 V269 L300 A303 | L265-Y267 VanDerWaalsContact C-N 3.33Å; L265-Y267 PolarHBondContact O-N 3.41Å; L265-Y268 PolarHBondContact O-N 2.75Å; L265-V269 HydrophobicContact CD1-CG2 4.34Å; L265-V269 HydrophobicContact CG-CG2 4.42Å; L265-V269 WeakPolarHBondContact O-CG2 3.36Å; L265-V269 PolarHBondContact O-N 3.24Å; L265-L300 HydrophobicContact CD1-CB 4.36Å; L265-L300 HydrophobicContact CD1-CD1 3.84Å; L265-A303 HydrophobicContact CD1-CB 4.04Å; L265-A303 HydrophobicContact CD2-CB 4.24Å; L265-A303 HydrophobicContact CG-CB 4.46Å |
| 266 | D | 97.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 178 | 175.9 | 72.6 | 0 | 0 | 0 | 112.4 | S264 Y268 K270 | S264-D266 PolarHBondContact O-N 3.05Å; D266-Y268 PolarHBondContact O-N 3.47Å; D266-K270 WeakPolarHBondContact O-CB 3.24Å; D266-K270 VanDerWaalsContact O-CG 3.3Å; D266-K270 WeakPolarHBondContact O-CG 3.2Å; D266-K270 PolarHBondContact O-N 2.77Å; D266-K270 WeakPolarHBondContact OD1-CE 3.46Å; D266-K270 IonicContact OD1-NZ 3.4Å; D266-K270 PolarHBondContact OD1-NZ 3.26Å; D266-K270 WeakPolarHBondContact OD2-CD 3.14Å; D266-K270 WeakPolarHBondContact OD2-CE 3.15Å; D266-K270 IonicContact OD2-NZ 3.89Å; D266-K270 PolarHBondContact OD2-NZ 2.92Å |
| 267 | Y | 98.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -49 | 172.8 | 163.3 | -92.9 | 0 | 0 | 0 | 111.3 | N226 Y263 S264 L265 L271 H501 | N226-Y267 VanDerWaalsContact CB-OH 3.25Å; N226-Y267 WeakPolarHBondContact CB-OH 3.47Å; N226-Y267 PolarHBondContact ND2-OH 2.9Å; N226-Y267 VanDerWaalsContact ND2-OH 3.08Å; Y263-Y267 HydrophobicContact CD1-CD1 4.04Å; Y263-Y267 AromaticContact CD1-CE1 3.72Å; Y263-Y267 HydrophobicContact CD1-CE1 3.72Å; Y263-Y267 HydrophobicContact CD1-CE2 4.39Å; Y263-Y267 AromaticContact CD1-CZ 3.92Å; Y263-Y267 HydrophobicContact CE1-CE1 4.45Å; S264-Y267 WeakPolarHBondContact O-CB 3.26Å; S264-Y267 PolarHBondContact O-N 2.93Å; S264-Y267 VanDerWaalsContact O-N 3.12Å; S264-Y267 PolarHBondContact OG-N 3.47Å; L265-Y267 VanDerWaalsContact C-N 3.33Å; L265-Y267 PolarHBondContact O-N 3.41Å; Y267-L271 WeakPolarHBondContact O-CB 3.47Å; Y267-L271 PolarHBondContact O-N 3.13Å; Y267-L271 VanDerWaalsContact O-N 3.07Å; Y267-H501 AromaticContact CD2-CE1 3.72Å; Y267-H501 AromaticContact CD2-ND1 4Å; Y267-H501 AromaticContact CD2-NE2 3.75Å; Y267-H501 HydrophobicContact CE2-CB 4.29Å; Y267-H501 AromaticContact CE2-CD2 3.93Å; Y267-H501 AromaticContact CE2-CE1 3.87Å; Y267-H501 AromaticContact CE2-CG 3.69Å; Y267-H501 AromaticContact CE2-ND1 3.65Å |
| 268 | Y | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -44 | -178.9 | -70.1 | -70.6 | 0 | 0 | 0 | 112.5 | I249 Y251 T252 V255 Y263 S264 L265 D266 L271 A272 L300 | I249-Y268 HydrophobicContact CG2-CD1 3.63Å; I249-Y268 HydrophobicContact CG2-CE1 3.91Å; Y251-Y268 AromaticContact CD2-CE1 3.91Å; Y251-Y268 HydrophobicContact CD2-CE1 3.91Å; Y251-Y268 AromaticContact CD2-CE2 3.94Å; Y251-Y268 HydrophobicContact CD2-CE2 3.94Å; Y251-Y268 AromaticContact CD2-CZ 3.53Å; Y251-Y268 AromaticContact CE2-CE2 3.89Å; Y251-Y268 HydrophobicContact CE2-CE2 3.89Å; Y251-Y268 AromaticContact CE2-CZ 3.94Å; T252-Y268 PolarHBondContact N-OH 3.35Å; T252-Y268 PolarHBondContact O-OH 3.27Å; V255-Y268 HydrophobicContact CG1-CD2 3.48Å; V255-Y268 VanDerWaalsContact CG1-CD2 3.48Å; V255-Y268 HydrophobicContact CG1-CE2 3.44Å; V255-Y268 VanDerWaalsContact CG1-CE2 3.44Å; Y263-Y268 WeakPolarHBondContact O-CE2 3.11Å; S264-Y268 WeakPolarHBondContact O-CD2 3.42Å; S264-Y268 PolarHBondContact O-N 3.43Å; L265-Y268 PolarHBondContact O-N 2.75Å; D266-Y268 PolarHBondContact O-N 3.47Å; Y268-L271 PolarHBondContact O-N 2.72Å; Y268-A272 WeakPolarHBondContact O-CB 3.5Å; Y268-A272 PolarHBondContact O-N 2.72Å; Y268-L300 HydrophobicContact CD2-CD1 4.37Å; Y268-L300 HydrophobicContact CG-CD1 4.04Å |
| 269 | V | 98.5 | Very high | 97.1 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | L265 A272 D273 A303 L304 R307 | L265-V269 HydrophobicContact CD1-CG2 4.34Å; L265-V269 HydrophobicContact CG-CG2 4.42Å; L265-V269 WeakPolarHBondContact O-CG2 3.36Å; L265-V269 PolarHBondContact O-N 3.24Å; V269-A272 PolarHBondContact O-N 3.11Å; V269-D273 PolarHBondContact O-N 2.95Å; V269-A303 HydrophobicContact CG2-CB 4.21Å; V269-L304 HydrophobicContact CG2-CD2 4.36Å; V269-R307 HydrophobicContact CG1-CG 4.46Å |
| 270 | K | 98.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 47.7 Ų | 47.7 | 53% | 0.53 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.1 | -77.9 | 173.3 | 175.4 | 164.1 | 0 | 112.4 | D266 A272 D273 E274 | D266-K270 WeakPolarHBondContact O-CB 3.24Å; D266-K270 VanDerWaalsContact O-CG 3.3Å; D266-K270 WeakPolarHBondContact O-CG 3.2Å; D266-K270 PolarHBondContact O-N 2.77Å; D266-K270 WeakPolarHBondContact OD1-CE 3.46Å; D266-K270 IonicContact OD1-NZ 3.4Å; D266-K270 PolarHBondContact OD1-NZ 3.26Å; D266-K270 WeakPolarHBondContact OD2-CD 3.14Å; D266-K270 WeakPolarHBondContact OD2-CE 3.15Å; D266-K270 IonicContact OD2-NZ 3.89Å; D266-K270 PolarHBondContact OD2-NZ 2.92Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.02Å; K270-D273 WeakPolarHBondContact O-CB 3.38Å; K270-D273 PolarHBondContact O-N 3.02Å; K270-E274 PolarHBondContact O-N 3.12Å |
| 271 | L | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.8 | -179.5 | 58.4 | 0 | 0 | 0 | 111.3 | N226 L228 I249 Y267 Y268 D273 E274 L275 | N226-L271 HydrophobicContact CB-CD2 3.73Å; L228-L271 HydrophobicContact CD1-CD1 4.28Å; I249-L271 HydrophobicContact CB-CD2 4.34Å; I249-L271 HydrophobicContact CD1-CB 4.31Å; I249-L271 HydrophobicContact CD1-CD2 4.31Å; I249-L271 HydrophobicContact CD1-CG 4.11Å; I249-L271 HydrophobicContact CG1-CD2 3.97Å; I249-L271 HydrophobicContact CG1-CG 4.1Å; I249-L271 HydrophobicContact CG2-CD2 3.62Å; Y267-L271 WeakPolarHBondContact O-CB 3.47Å; Y267-L271 PolarHBondContact O-N 3.13Å; Y267-L271 VanDerWaalsContact O-N 3.07Å; Y268-L271 PolarHBondContact O-N 2.72Å; L271-D273 VanDerWaalsContact C-N 3.32Å; L271-D273 PolarHBondContact O-N 2.77Å; L271-E274 PolarHBondContact O-N 3.35Å; L271-L275 HydrophobicContact CD1-CD1 4.49Å; L271-L275 HydrophobicContact CD1-CG 4.44Å; L271-L275 HydrophobicContact CG-CD1 4.22Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 3.05Å |
| 272 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I249 Y268 V269 K270 E274 L275 V276 L283 L304 F308 | I249-A272 HydrophobicContact CD1-CB 3.86Å; Y268-A272 WeakPolarHBondContact O-CB 3.5Å; Y268-A272 PolarHBondContact O-N 2.72Å; V269-A272 PolarHBondContact O-N 3.11Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.02Å; A272-E274 VanDerWaalsContact C-N 3.31Å; A272-E274 PolarHBondContact O-N 3.07Å; A272-L275 PolarHBondContact O-N 3.25Å; A272-V276 WeakPolarHBondContact O-CB 3.35Å; A272-V276 VanDerWaalsContact O-CG2 3.32Å; A272-V276 WeakPolarHBondContact O-CG2 3.34Å; A272-V276 PolarHBondContact O-N 2.69Å; A272-L283 HydrophobicContact CB-CD1 4.19Å; A272-L283 HydrophobicContact CB-CD2 3.71Å; A272-L304 HydrophobicContact CB-CD2 3.56Å; A272-F308 HydrophobicContact CB-CE2 3.66Å; A272-F308 HydrophobicContact CB-CZ 4.2Å |
| 273 | D | 98.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 176.6 | -153.7 | 78.2 | 0 | 0 | 0 | 111.5 | V269 K270 L271 K277 R307 F308 | V269-D273 PolarHBondContact O-N 2.95Å; K270-D273 WeakPolarHBondContact O-CB 3.38Å; K270-D273 PolarHBondContact O-N 3.02Å; L271-D273 VanDerWaalsContact C-N 3.32Å; L271-D273 PolarHBondContact O-N 2.77Å; D273-K277 WeakPolarHBondContact O-CB 3.27Å; D273-K277 WeakPolarHBondContact O-CG 3.2Å; D273-K277 PolarHBondContact O-N 3.47Å; D273-K277 WeakPolarHBondContact OD2-CE 3.45Å; D273-K277 IonicContact OD2-NZ 2.69Å; D273-K277 PolarHBondContact OD2-NZ 2.7Å; D273-R307 IonicContact OD1-CZ 3.5Å; D273-R307 IonicContact OD1-NE 3.26Å; D273-R307 PolarHBondContact OD1-NE 3.44Å; D273-R307 VanDerWaalsContact OD1-NE 3.14Å; D273-R307 IonicContact OD1-NH2 3.31Å; D273-R307 PolarHBondContact OD1-NH2 2.86Å; D273-R307 IonicContact OD2-NH2 3.09Å; D273-F308 HydrophobicContact CB-CZ 4.16Å |
| 274 | E | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 176 | -64.5 | -59.1 | 116.7 | 0 | 0 | 112.8 | L228 K270 L271 A272 K277 A278 | L228-E274 HydrophobicContact CD1-CB 4.31Å; L228-E274 HydrophobicContact CD2-CB 3.79Å; L228-E274 HydrophobicContact CD2-CG 4.13Å; K270-E274 PolarHBondContact O-N 3.12Å; L271-E274 PolarHBondContact O-N 3.35Å; A272-E274 VanDerWaalsContact C-N 3.31Å; A272-E274 PolarHBondContact O-N 3.07Å; E274-K277 PolarHBondContact O-N 2.95Å; E274-K277 IonicContact OE1-NZ 2.84Å; E274-K277 PolarHBondContact OE1-NZ 2.82Å; E274-A278 WeakPolarHBondContact O-CB 3.43Å; E274-A278 PolarHBondContact O-N 3.46Å |
| 275 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 178.8 | -64.2 | 173.4 | 0 | 0 | 0 | 112.7 | L228 M231 M235 A247 I249 L271 A272 A278 G279 T280 L283 | L228-L275 HydrophobicContact CD1-CD2 3.63Å; L228-L275 HydrophobicContact CD1-CG 4.42Å; M231-L275 HydrophobicContact CB-CD2 4.39Å; M231-L275 HydrophobicContact CE-CD1 3.76Å; M231-L275 HydrophobicContact CE-CD2 3.67Å; M231-L275 HydrophobicContact CE-CG 4.38Å; M231-L275 HydrophobicContact SD-CD2 4.2Å; M235-L275 HydrophobicContact SD-CD2 3.8Å; A247-L275 HydrophobicContact CB-CB 3.99Å; A247-L275 HydrophobicContact CB-CD1 3.99Å; A247-L275 HydrophobicContact CB-CD2 4.09Å; A247-L275 HydrophobicContact CB-CG 4.24Å; I249-L275 HydrophobicContact CD1-CD1 4.04Å; I249-L275 HydrophobicContact CG1-CD1 3.52Å; L271-L275 HydrophobicContact CD1-CD1 4.49Å; L271-L275 HydrophobicContact CD1-CG 4.44Å; L271-L275 HydrophobicContact CG-CD1 4.22Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 3.05Å; A272-L275 PolarHBondContact O-N 3.25Å; L275-A278 PolarHBondContact O-N 3.37Å; L275-G279 PolarHBondContact O-N 3.11Å; L275-T280 PolarHBondContact O-N 3.15Å; L275-L283 HydrophobicContact CB-CD1 4.48Å; L275-L283 HydrophobicContact CD1-CD1 4.34Å |
| 276 | V | 98.4 | Very high | 98.4 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | A272 A278 G279 T280 F308 V311 | A272-V276 WeakPolarHBondContact O-CB 3.35Å; A272-V276 VanDerWaalsContact O-CG2 3.32Å; A272-V276 WeakPolarHBondContact O-CG2 3.34Å; A272-V276 PolarHBondContact O-N 2.69Å; V276-A278 PolarHBondContact O-N 3.33Å; V276-G279 PolarHBondContact O-N 2.86Å; V276-T280 HydrophobicContact CG2-CG2 4.11Å; V276-F308 HydrophobicContact CB-CD1 4.18Å; V276-F308 HydrophobicContact CB-CE1 3.91Å; V276-F308 HydrophobicContact CB-CZ 4.45Å; V276-F308 HydrophobicContact CG1-CD1 3.93Å; V276-F308 HydrophobicContact CG1-CE1 4Å; V276-F308 HydrophobicContact CG2-CD1 3.88Å; V276-F308 HydrophobicContact CG2-CD2 4.43Å; V276-F308 HydrophobicContact CG2-CE1 3.87Å; V276-F308 HydrophobicContact CG2-CE2 4.43Å; V276-F308 HydrophobicContact CG2-CG 4.17Å; V276-F308 HydrophobicContact CG2-CZ 4.17Å; V276-V311 HydrophobicContact CG1-CG2 4.23Å; V276-V311 HydrophobicContact CG2-CG2 4.4Å |
| 277 | K | 98.3 | Very high | 98.5 | Very high | 134 Ų | 134 | 29.7 Ų | 29.7 | 58% | 0.583 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -59.1 | -35 | 172 | -75.4 | 170.2 | -165.7 | 155.8 | 0 | 112.7 | D273 E274 G279 | D273-K277 WeakPolarHBondContact O-CB 3.27Å; D273-K277 WeakPolarHBondContact O-CG 3.2Å; D273-K277 PolarHBondContact O-N 3.47Å; D273-K277 WeakPolarHBondContact OD2-CE 3.45Å; D273-K277 IonicContact OD2-NZ 2.69Å; D273-K277 PolarHBondContact OD2-NZ 2.7Å; E274-K277 PolarHBondContact O-N 2.95Å; E274-K277 IonicContact OE1-NZ 2.84Å; E274-K277 PolarHBondContact OE1-NZ 2.82Å; K277-G279 PolarHBondContact O-N 2.99Å |
| 278 | A | 97.9 | Very high | 98.3 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 39% | 0.388 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -2.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | L232 M235 E274 L275 V276 | L232-A278 HydrophobicContact CD2-CB 3.36Å; M235-A278 HydrophobicContact CE-CB 3.76Å; E274-A278 WeakPolarHBondContact O-CB 3.43Å; E274-A278 PolarHBondContact O-N 3.46Å; L275-A278 PolarHBondContact O-N 3.37Å; V276-A278 PolarHBondContact O-N 3.33Å |
| 279 | G | 97.1 | Very high | 98.2 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 46% | 0.464 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 33.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L275 V276 K277 H281 | L275-G279 PolarHBondContact O-N 3.11Å; V276-G279 PolarHBondContact O-N 2.86Å; K277-G279 PolarHBondContact O-N 2.99Å; G279-H281 PolarHBondContact O-N 2.82Å |
| 280 | T | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | trans | -61.5 | 137.5 | 169.3 | -160.9 | 0 | 0 | 0 | 0 | 111.1 | V245 A247 L275 V276 I282 L283 | V245-T280 PolarHBondContact O-OG1 3.23Å; A247-T280 HydrophobicContact CB-CG2 4.32Å; A247-T280 WeakPolarHBondContact CB-OG1 3.45Å; A247-T280 PolarHBondContact N-OG1 3.18Å; L275-T280 PolarHBondContact O-N 3.15Å; V276-T280 HydrophobicContact CG2-CG2 4.11Å; T280-I282 PolarHBondContact OG1-O 3.42Å; T280-L283 HydrophobicContact CG2-CB 4.5Å | ||
| 281 | H | 98.8 | Very high | 98.1 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 14% | 0.144 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -79.7 | -33.8 | 174.1 | -56.9 | 93.6 | 0 | 0 | 0 | 110.9 | P95 E96 A99 V244 V245 G279 P312 | P95-H281 WeakPolarHBondContact CB-NE2 3.14Å; E96-H281 IonicContact OE1-NE2 3.39Å; A99-H281 HydrophobicContact CB-CB 4.15Å; A99-H281 WeakPolarHBondContact CB-O 3.28Å; V244-H281 HydrophobicContact CG1-CB 3.96Å; V245-H281 WeakPolarHBondContact CB-ND1 3.04Å; V245-H281 PolarHBondContact N-ND1 2.94Å; V245-H281 WeakPolarHBondContact O-CB 3.36Å; V245-H281 PolarHBondContact O-N 3.05Å; G279-H281 PolarHBondContact O-N 2.82Å; H281-P312 WeakPolarHBondContact O-CD 3.38Å |
| 282 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.4 | -178.1 | -58.9 | -179 | 0 | 0 | 0 | 107.8 | F98 F147 V244 V245 E246 A247 T280 P312 H314 | F98-I282 HydrophobicContact CD1-CD1 4.42Å; F98-I282 HydrophobicContact CE1-CD1 3.85Å; F147-I282 HydrophobicContact CE2-CD1 3.55Å; F147-I282 HydrophobicContact CZ-CD1 3.44Å; F147-I282 VanDerWaalsContact CZ-CD1 3.44Å; V244-I282 HydrophobicContact CG1-CD1 4.11Å; V244-I282 HydrophobicContact CG1-CG1 4.44Å; V245-I282 PolarHBondContact O-N 3.32Å; E246-I282 WeakPolarHBondContact CA-O 3.32Å; E246-I282 HydrophobicContact CB-CB 4.12Å; E246-I282 HydrophobicContact CB-CG2 4.48Å; E246-I282 HydrophobicContact CG-CB 4.04Å; E246-I282 HydrophobicContact CG-CG2 3.88Å; A247-I282 PolarHBondContact N-O 2.84Å; A247-I282 VanDerWaalsContact N-O 3.09Å; T280-I282 PolarHBondContact OG1-O 3.42Å; I282-P312 HydrophobicContact CB-CB 4.47Å; I282-P312 HydrophobicContact CG1-CB 4.08Å; I282-P312 HydrophobicContact CG1-CG 4.24Å; I282-P312 HydrophobicContact CG2-CB 4.18Å; I282-H314 HydrophobicContact CG2-CB 3.91Å |
| 283 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.7 | 173.8 | -178.9 | 67.5 | 0 | 0 | 0 | 109.1 | I249 A272 L275 T280 L304 F308 V311 P312 I313 H314 | I249-L283 HydrophobicContact CD1-CD1 4.14Å; A272-L283 HydrophobicContact CB-CD1 4.19Å; A272-L283 HydrophobicContact CB-CD2 3.71Å; L275-L283 HydrophobicContact CB-CD1 4.48Å; L275-L283 HydrophobicContact CD1-CD1 4.34Å; T280-L283 HydrophobicContact CG2-CB 4.5Å; L283-L304 HydrophobicContact CD2-CD1 4.37Å; L283-L304 HydrophobicContact CD2-CD2 4.09Å; L283-F308 HydrophobicContact CD2-CD2 4.23Å; L283-F308 HydrophobicContact CD2-CE2 4.49Å; L283-V311 HydrophobicContact CB-CG1 3.95Å; L283-P312 PolarHBondContact N-O 3.12Å; L283-I313 WeakPolarHBondContact O-CA 3.44Å; L283-H314 PolarHBondContact O-N 3.31Å |
| 284 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.7 | -175.2 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | E246 A247 A248 I249 H314 | E246-S284 WeakPolarHBondContact OE1-CB 3.4Å; E246-S284 PolarHBondContact OE1-OG 3.13Å; A247-S284 PolarHBondContact O-N 2.86Å; A248-S284 CarbonylContact C-O 3.18Å; A248-S284 WeakPolarHBondContact CA-O 3.44Å; I249-S284 PolarHBondContact N-O 3.01Å; S284-H314 CarbonylContact C-O 3.36Å; S284-H314 WeakPolarHBondContact CA-O 3.2Å |
| 285 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.5 | 168.6 | -59.4 | -55.8 | 0 | 0 | 0 | 108 | I249 L292 L300 I301 L304 H314 V315 H316 | I249-I285 HydrophobicContact CB-CD1 4.01Å; I249-I285 HydrophobicContact CD1-CD1 4.19Å; I285-L292 HydrophobicContact CG2-CD1 3.96Å; I285-L300 HydrophobicContact CD1-CD2 4.33Å; I285-L300 HydrophobicContact CG1-CD2 4.27Å; I285-L300 HydrophobicContact CG2-CD2 3.96Å; I285-I301 HydrophobicContact CG1-CD1 3.97Å; I285-L304 HydrophobicContact CD1-CD1 3.7Å; I285-L304 HydrophobicContact CG1-CD1 3.85Å; I285-H314 PolarHBondContact N-O 3.48Å; I285-V315 HydrophobicContact CB-CG1 4.43Å; I285-H316 PolarHBondContact O-N 3.46Å |
| 286 | K | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 94 | -180 | -176.2 | 172.2 | 175.5 | 54.3 | 0 | 110.9 | L187 A248 I249 S250 Y251 M288 H316 | L187-K286 HydrophobicContact CD1-CD 4.23Å; A248-K286 HydrophobicContact CB-CB 4.38Å; I249-K286 PolarHBondContact O-N 3.45Å; S250-K286 CarbonylContact C-O 3.35Å; S250-K286 WeakPolarHBondContact CA-O 3.49Å; Y251-K286 PolarHBondContact N-O 3.41Å; K286-M288 PolarHBondContact O-N 2.94Å; K286-H316 PolarHBondContact NZ-CD2 3.44Å; K286-H316 PolarHBondContact NZ-CE1 2.84Å; K286-H316 PolarHBondContact NZ-NE2 3.35Å |
| 287 | D | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 79.8 | 170.2 | 174.5 | 24.6 | 0 | 0 | 0 | 111.3 | Y251 A289 G290 L291 L292 H316 T317 H318 | Y251-D287 HydrophobicContact CD1-CB 4.3Å; D287-A289 PolarHBondContact O-N 2.88Å; D287-A289 VanDerWaalsContact O-N 3.13Å; D287-G290 PolarHBondContact O-N 3.34Å; D287-G290 PolarHBondContact OD1-N 3.3Å; D287-G290 VanDerWaalsContact OD2-C 3.29Å; D287-G290 WeakPolarHBondContact OD2-CA 3.4Å; D287-L291 PolarHBondContact OD1-N 2.71Å; D287-L291 PolarHBondContact OD2-N 3.22Å; D287-L292 HydrophobicContact CB-CB 4.45Å; D287-L292 HydrophobicContact CB-CD1 3.76Å; D287-L292 HydrophobicContact CB-CG 4Å; D287-L292 WeakPolarHBondContact OD2-CB 3.45Å; D287-L292 PolarHBondContact OD2-N 3.05Å; D287-H316 WeakPolarHBondContact CB-O 3.44Å; D287-H316 PolarHBondContact N-O 3.11Å; D287-T317 WeakPolarHBondContact O-CA 3.45Å; D287-T317 PolarHBondContact OD2-OG1 3.49Å; D287-H318 PolarHBondContact O-CD2 3.48Å; D287-H318 PolarHBondContact O-N 2.91Å |
| 288 | M | 95.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12 | -175 | 64 | -79.7 | 179.9 | 0 | 0 | 115.5 | Y251 K286 H318 P412 G413 I450 K451 V452 | Y251-M288 WeakPolarHBondContact O-CE 3.46Å; Y251-M288 VanDerWaalsContact O-SD 3.37Å; K286-M288 PolarHBondContact O-N 2.94Å; M288-H318 PolarHBondContact O-CD2 3.2Å; M288-H318 PolarHBondContact O-NE2 3.28Å; M288-P412 HydrophobicContact CB-CB 4.32Å; M288-P412 HydrophobicContact CG-CB 4.13Å; M288-P412 HydrophobicContact CG-CG 3.97Å; M288-P412 WeakPolarHBondContact O-CA 3.48Å; M288-P412 WeakPolarHBondContact O-CB 3.4Å; M288-G413 PolarHBondContact O-N 2.6Å; M288-I450 HydrophobicContact CE-CG2 3.94Å; M288-K451 VanDerWaalsContact CE-O 3.22Å; M288-K451 WeakPolarHBondContact CE-O 3.38Å; M288-K451 WeakPolarHBondContact CG-O 3.4Å; M288-V452 HydrophobicContact CB-CB 4.49Å; M288-V452 HydrophobicContact CB-CG2 4.2Å; M288-V452 HydrophobicContact CE-CB 4.49Å; M288-V452 HydrophobicContact CG-CB 3.94Å; M288-V452 HydrophobicContact CG-CG2 4.2Å; M288-V452 HydrophobicContact SD-CB 4.29Å |
| 289 | A | 96.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -15.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | D287 L291 T320 V406 | D287-A289 PolarHBondContact O-N 2.88Å; D287-A289 VanDerWaalsContact O-N 3.13Å; A289-L291 HydrophobicContact CB-CD1 4.21Å; A289-L291 HydrophobicContact CB-CD2 4.14Å; A289-L291 HydrophobicContact CB-CG 3.86Å; A289-T320 PolarHBondContact O-OG1 3.33Å; A289-V406 HydrophobicContact CB-CG2 4.19Å; A289-V406 WeakPolarHBondContact O-CG2 3.5Å |
| 290 | G | 97.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 4% | 0.041 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 82.1 | 42.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D287 H318 | D287-G290 PolarHBondContact O-N 3.34Å; D287-G290 PolarHBondContact OD1-N 3.3Å; D287-G290 VanDerWaalsContact OD2-C 3.29Å; D287-G290 WeakPolarHBondContact OD2-CA 3.4Å; G290-H318 WeakPolarHBondContact CA-O 3.35Å |
| 291 | L | 97.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | trans | -92.1 | -20.7 | -178.8 | -55.5 | 179.5 | 0 | 0 | 0 | 112.9 | Y251 D287 A289 K293 V406 Y407 E410 | Y251-L291 HydrophobicContact CD1-CB 4.06Å; Y251-L291 HydrophobicContact CE1-CB 3.8Å; D287-L291 PolarHBondContact OD1-N 2.71Å; D287-L291 PolarHBondContact OD2-N 3.22Å; A289-L291 HydrophobicContact CB-CD1 4.21Å; A289-L291 HydrophobicContact CB-CD2 4.14Å; A289-L291 HydrophobicContact CB-CG 3.86Å; L291-K293 PolarHBondContact O-N 3.05Å; L291-V406 HydrophobicContact CD2-CG2 4.28Å; L291-V406 WeakPolarHBondContact CD2-O 3.43Å; L291-Y407 HydrophobicContact CD2-CD1 4.19Å; L291-E410 HydrophobicContact CD1-CB 4.09Å; L291-E410 HydrophobicContact CD1-CG 3.8Å; L291-E410 HydrophobicContact CD2-CB 4.4Å; L291-E410 HydrophobicContact CD2-CG 3.99Å | ||
| 292 | L | 96.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | trans | -67.3 | 107.1 | 178.6 | -81.8 | 173.5 | 0 | 0 | 0 | 110.3 | Y251 I285 D287 L300 V315 A327 | Y251-L292 HydrophobicContact CD1-CD2 4.07Å; Y251-L292 HydrophobicContact CD1-CG 3.79Å; Y251-L292 HydrophobicContact CD2-CD2 3.91Å; Y251-L292 HydrophobicContact CD2-CG 4.32Å; Y251-L292 HydrophobicContact CE1-CD2 3.74Å; Y251-L292 HydrophobicContact CE1-CG 3.81Å; Y251-L292 HydrophobicContact CE2-CD2 3.54Å; Y251-L292 HydrophobicContact CE2-CG 4.31Å; Y251-L292 HydrophobicContact CG-CD2 4.16Å; Y251-L292 HydrophobicContact CG-CG 4.06Å; Y251-L292 VanDerWaalsContact CZ-CD2 3.45Å; I285-L292 HydrophobicContact CG2-CD1 3.96Å; D287-L292 HydrophobicContact CB-CB 4.45Å; D287-L292 HydrophobicContact CB-CD1 3.76Å; D287-L292 HydrophobicContact CB-CG 4Å; D287-L292 WeakPolarHBondContact OD2-CB 3.45Å; D287-L292 PolarHBondContact OD2-N 3.05Å; L292-L300 HydrophobicContact CD2-CD2 4.24Å; L292-V315 HydrophobicContact CD1-CG1 4.19Å; L292-A327 WeakPolarHBondContact O-CB 3.25Å | ||
| 293 | K | 97.2 | Very high | 97.9 | Very high | 67 Ų | 67 | 22.3 Ų | 22.3 | 29% | 0.291 | 12% | 0.119 | S | C | . | . | trans | -78.2 | 159 | 168.1 | -64.9 | 176 | -69.3 | 176.2 | 0 | 110.2 | D254 L291 E295 G296 S297 Y407 | D254-K293 WeakPolarHBondContact OD1-CE 3.32Å; D254-K293 IonicContact OD1-NZ 2.83Å; D254-K293 WeakPolarHBondContact OD2-CE 3.4Å; D254-K293 IonicContact OD2-NZ 2.89Å; D254-K293 PolarHBondContact OD2-NZ 3.42Å; L291-K293 PolarHBondContact O-N 3.05Å; K293-E295 VanDerWaalsContact C-N 3.29Å; K293-E295 PolarHBondContact O-N 2.95Å; K293-G296 PolarHBondContact O-N 3.44Å; K293-G296 VanDerWaalsContact O-N 3.16Å; K293-S297 WeakPolarHBondContact O-CB 3.33Å; K293-S297 PolarHBondContact O-N 3.23Å; K293-S297 PolarHBondContact O-OG 3.14Å; K293-Y407 HydrophobicContact CG-CE1 4.05Å | ||
| 294 | P | 97.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 22.3 Ų | 22.3 | 33% | 0.325 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -52.4 | -41.8 | 177.4 | -30.4 | 36.7 | 0 | 0 | 0 | 114.4 | S297 K298 A326 A330 | P294-S297 WeakPolarHBondContact O-CB 3.34Å; P294-S297 PolarHBondContact O-N 2.8Å; P294-K298 WeakPolarHBondContact O-CG 3.42Å; P294-K298 PolarHBondContact O-N 3.39Å; P294-A326 HydrophobicContact CG-CB 4.01Å; P294-A330 HydrophobicContact CB-CB 3.95Å |
| 295 | E | 97.2 | Very high | 97.9 | Very high | 121 Ų | 121 | 23.5 Ų | 23.5 | 57% | 0.565 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -69.6 | -43.9 | 179.2 | -166.1 | 68.5 | 175.1 | 0 | 0 | 112.4 | K293 S297 K298 L299 | K293-E295 VanDerWaalsContact C-N 3.29Å; K293-E295 PolarHBondContact O-N 2.95Å; E295-S297 PolarHBondContact O-N 3.27Å; E295-K298 PolarHBondContact O-N 2.85Å; E295-L299 WeakPolarHBondContact O-CG 3.36Å; E295-L299 PolarHBondContact O-N 3.43Å |
| 296 | G | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K293 L299 L300 | K293-G296 PolarHBondContact O-N 3.44Å; K293-G296 VanDerWaalsContact O-N 3.16Å; G296-L299 PolarHBondContact O-N 3.17Å; G296-L300 WeakPolarHBondContact O-CB 3.36Å; G296-L300 PolarHBondContact O-N 3.36Å |
| 297 | S | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 174.1 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | K293 P294 E295 L299 L300 I301 C331 | K293-S297 WeakPolarHBondContact O-CB 3.33Å; K293-S297 PolarHBondContact O-N 3.23Å; K293-S297 PolarHBondContact O-OG 3.14Å; P294-S297 WeakPolarHBondContact O-CB 3.34Å; P294-S297 PolarHBondContact O-N 2.8Å; E295-S297 PolarHBondContact O-N 3.27Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 2.98Å; S297-L300 PolarHBondContact O-N 2.9Å; S297-I301 VanDerWaalsContact O-CB 3.28Å; S297-I301 WeakPolarHBondContact O-CB 3.35Å; S297-I301 VanDerWaalsContact O-CG1 3.3Å; S297-I301 WeakPolarHBondContact O-CG1 3.49Å; S297-I301 PolarHBondContact O-N 3.21Å; S297-C331 VanDerWaalsContact CB-SG 3.52Å |
| 298 | K | 98.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 37.5 Ų | 37.5 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.5 | -71.1 | -179.4 | 179.3 | -166.8 | 0 | 112.2 | P294 E295 G302 A330 E333 | P294-K298 WeakPolarHBondContact O-CG 3.42Å; P294-K298 PolarHBondContact O-N 3.39Å; E295-K298 PolarHBondContact O-N 2.85Å; K298-G302 WeakPolarHBondContact O-CA 3.34Å; K298-G302 PolarHBondContact O-N 2.91Å; K298-A330 HydrophobicContact CG-CB 4.15Å; K298-E333 WeakPolarHBondContact CE-OE2 3.47Å; K298-E333 IonicContact NZ-OE2 2.64Å; K298-E333 PolarHBondContact NZ-OE2 2.86Å |
| 299 | L | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 39% | 0.387 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.8 | -52 | 178.6 | -69.7 | 171.9 | 0 | 0 | 0 | 112.1 | E295 G296 S297 A303 | E295-L299 WeakPolarHBondContact O-CG 3.36Å; E295-L299 PolarHBondContact O-N 3.43Å; G296-L299 PolarHBondContact O-N 3.17Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 2.98Å; L299-A303 VanDerWaalsContact O-CB 3.29Å; L299-A303 WeakPolarHBondContact O-CB 3.43Å; L299-A303 PolarHBondContact O-N 3.12Å; L299-A303 VanDerWaalsContact O-N 3.13Å |
| 300 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -53.3 | -176.2 | 178.3 | 58.8 | 0 | 0 | 0 | 111.7 | Y251 V255 L265 Y268 I285 L292 G296 S297 G302 A303 L304 | Y251-L300 HydrophobicContact CD2-CD2 3.84Å; Y251-L300 HydrophobicContact CE2-CD2 3.98Å; V255-L300 HydrophobicContact CG2-CB 4.32Å; L265-L300 HydrophobicContact CD1-CB 4.36Å; L265-L300 HydrophobicContact CD1-CD1 3.84Å; Y268-L300 HydrophobicContact CD2-CD1 4.37Å; Y268-L300 HydrophobicContact CG-CD1 4.04Å; I285-L300 HydrophobicContact CD1-CD2 4.33Å; I285-L300 HydrophobicContact CG1-CD2 4.27Å; I285-L300 HydrophobicContact CG2-CD2 3.96Å; L292-L300 HydrophobicContact CD2-CD2 4.24Å; G296-L300 WeakPolarHBondContact O-CB 3.36Å; G296-L300 PolarHBondContact O-N 3.36Å; S297-L300 PolarHBondContact O-N 2.9Å; L300-G302 PolarHBondContact O-N 2.68Å; L300-A303 PolarHBondContact O-N 3.21Å; L300-L304 HydrophobicContact CD1-CD1 3.96Å; L300-L304 HydrophobicContact CD1-CG 4.25Å; L300-L304 HydrophobicContact CG-CD1 4.09Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.38Å; L300-L304 PolarHBondContact O-N 2.86Å |
| 301 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -38.2 | -175.1 | -58 | -51.6 | 0 | 0 | 0 | 110.9 | I285 S297 L304 R305 I313 V315 C331 A334 A336 | I285-I301 HydrophobicContact CG1-CD1 3.97Å; S297-I301 VanDerWaalsContact O-CB 3.28Å; S297-I301 WeakPolarHBondContact O-CB 3.35Å; S297-I301 VanDerWaalsContact O-CG1 3.3Å; S297-I301 WeakPolarHBondContact O-CG1 3.49Å; S297-I301 PolarHBondContact O-N 3.21Å; I301-L304 HydrophobicContact CD1-CD1 4.46Å; I301-L304 PolarHBondContact O-N 3.11Å; I301-R305 WeakPolarHBondContact O-CB 3.36Å; I301-R305 PolarHBondContact O-N 3.47Å; I301-I313 HydrophobicContact CD1-CG2 4.2Å; I301-I313 HydrophobicContact CG2-CG2 4.34Å; I301-V315 HydrophobicContact CD1-CG2 3.51Å; I301-V315 HydrophobicContact CG1-CG2 4.07Å; I301-C331 HydrophobicContact CG1-CB 4.17Å; I301-A334 HydrophobicContact CB-CB 3.87Å; I301-A334 HydrophobicContact CG2-CB 3.91Å; I301-A336 HydrophobicContact CG2-CB 4.09Å |
| 302 | G | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | K298 L300 L304 R305 D306 | K298-G302 WeakPolarHBondContact O-CA 3.34Å; K298-G302 PolarHBondContact O-N 2.91Å; L300-G302 PolarHBondContact O-N 2.68Å; G302-L304 VanDerWaalsContact C-N 3.32Å; G302-L304 PolarHBondContact O-N 2.55Å; G302-R305 PolarHBondContact O-N 2.9Å; G302-D306 WeakPolarHBondContact O-CB 3.33Å; G302-D306 PolarHBondContact O-N 3.28Å |
| 303 | A | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L265 V269 L299 L300 R307 | L265-A303 HydrophobicContact CD1-CB 4.04Å; L265-A303 HydrophobicContact CD2-CB 4.24Å; L265-A303 HydrophobicContact CG-CB 4.46Å; V269-A303 HydrophobicContact CG2-CB 4.21Å; L299-A303 VanDerWaalsContact O-CB 3.29Å; L299-A303 WeakPolarHBondContact O-CB 3.43Å; L299-A303 PolarHBondContact O-N 3.12Å; L299-A303 VanDerWaalsContact O-N 3.13Å; L300-A303 PolarHBondContact O-N 3.21Å; A303-R307 VanDerWaalsContact O-CB 3.32Å; A303-R307 WeakPolarHBondContact O-CB 3.35Å; A303-R307 PolarHBondContact O-N 3.42Å; A303-R307 VanDerWaalsContact O-N 3.1Å |
| 304 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -41.8 | 176.2 | -68.3 | 173.6 | 0 | 0 | 0 | 111.9 | V269 A272 L283 I285 L300 I301 G302 R307 F308 I313 | V269-L304 HydrophobicContact CG2-CD2 4.36Å; A272-L304 HydrophobicContact CB-CD2 3.56Å; L283-L304 HydrophobicContact CD2-CD1 4.37Å; L283-L304 HydrophobicContact CD2-CD2 4.09Å; I285-L304 HydrophobicContact CD1-CD1 3.7Å; I285-L304 HydrophobicContact CG1-CD1 3.85Å; L300-L304 HydrophobicContact CD1-CD1 3.96Å; L300-L304 HydrophobicContact CD1-CG 4.25Å; L300-L304 HydrophobicContact CG-CD1 4.09Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.38Å; L300-L304 PolarHBondContact O-N 2.86Å; I301-L304 HydrophobicContact CD1-CD1 4.46Å; I301-L304 PolarHBondContact O-N 3.11Å; G302-L304 VanDerWaalsContact C-N 3.32Å; G302-L304 PolarHBondContact O-N 2.55Å; L304-R307 PolarHBondContact O-N 3.19Å; L304-F308 HydrophobicContact CD2-CD2 4.44Å; L304-F308 HydrophobicContact CD2-CE2 4.19Å; L304-F308 WeakPolarHBondContact O-CD2 3.18Å; L304-F308 PolarHBondContact O-N 2.83Å; L304-I313 HydrophobicContact CB-CD1 3.93Å |
| 305 | R | 98.7 | Very high | 98.5 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.7 | 175.8 | 53.5 | 64.6 | -156 | 3.9 | 111.7 | I301 G302 R307 F308 P309 V311 I313 G335 D337 | I301-R305 WeakPolarHBondContact O-CB 3.36Å; I301-R305 PolarHBondContact O-N 3.47Å; G302-R305 PolarHBondContact O-N 2.9Å; R305-R307 VanDerWaalsContact C-N 3.27Å; R305-R307 PolarHBondContact O-N 3.22Å; R305-F308 PolarHBondContact NH1-O 3.22Å; R305-F308 VanDerWaalsContact NH1-O 3.15Å; R305-F308 CarbonylContact O-C 3.5Å; R305-F308 PolarHBondContact O-N 3.15Å; R305-P309 PolarHBondContact NH1-O 2.75Å; R305-P309 VanDerWaalsContact NH1-O 3.11Å; R305-P309 WeakPolarHBondContact O-CA 3.35Å; R305-V311 PolarHBondContact NH1-O 2.65Å; R305-I313 HydrophobicContact CB-CD1 4Å; R305-G335 PolarHBondContact NE-O 2.93Å; R305-G335 VanDerWaalsContact NE-O 3.07Å; R305-G335 PolarHBondContact NH2-O 3.02Å; R305-D337 IonicContact CZ-OD2 3.81Å; R305-D337 VanDerWaalsContact NH2-CG 3.31Å; R305-D337 IonicContact NH2-OD1 2.69Å; R305-D337 PolarHBondContact NH2-OD1 2.92Å; R305-D337 IonicContact NH2-OD2 3.66Å; R305-D337 PolarHBondContact NH2-OD2 3.24Å |
| 306 | D | 98.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 36.4 Ų | 36.4 | 77% | 0.765 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -61.2 | -38.9 | 177 | -74.2 | -14.7 | 0 | 0 | 0 | 111.5 | G302 | G302-D306 WeakPolarHBondContact O-CB 3.33Å; G302-D306 PolarHBondContact O-N 3.28Å |
| 307 | R | 98.6 | Very high | 98.6 | Very high | 141 Ų | 141 | 36.4 Ų | 36.4 | 53% | 0.532 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -75.5 | -36.5 | 179.4 | -175.9 | 61.9 | 176.8 | -179.7 | 1.2 | 113 | V269 D273 A303 L304 R305 | V269-R307 HydrophobicContact CG1-CG 4.46Å; D273-R307 IonicContact OD1-CZ 3.5Å; D273-R307 IonicContact OD1-NE 3.26Å; D273-R307 PolarHBondContact OD1-NE 3.44Å; D273-R307 VanDerWaalsContact OD1-NE 3.14Å; D273-R307 IonicContact OD1-NH2 3.31Å; D273-R307 PolarHBondContact OD1-NH2 2.86Å; D273-R307 IonicContact OD2-NH2 3.09Å; A303-R307 VanDerWaalsContact O-CB 3.32Å; A303-R307 WeakPolarHBondContact O-CB 3.35Å; A303-R307 PolarHBondContact O-N 3.42Å; A303-R307 VanDerWaalsContact O-N 3.1Å; L304-R307 PolarHBondContact O-N 3.19Å; R305-R307 VanDerWaalsContact C-N 3.27Å; R305-R307 PolarHBondContact O-N 3.22Å |
| 308 | F | 98.5 | Very high | 98.6 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | trans | -128.9 | 73.9 | -173.9 | -49.9 | -68.9 | 0 | 0 | 0 | 111 | A272 D273 V276 L283 L304 R305 D310 V311 | A272-F308 HydrophobicContact CB-CE2 3.66Å; A272-F308 HydrophobicContact CB-CZ 4.2Å; D273-F308 HydrophobicContact CB-CZ 4.16Å; V276-F308 HydrophobicContact CB-CD1 4.18Å; V276-F308 HydrophobicContact CB-CE1 3.91Å; V276-F308 HydrophobicContact CB-CZ 4.45Å; V276-F308 HydrophobicContact CG1-CD1 3.93Å; V276-F308 HydrophobicContact CG1-CE1 4Å; V276-F308 HydrophobicContact CG2-CD1 3.88Å; V276-F308 HydrophobicContact CG2-CD2 4.43Å; V276-F308 HydrophobicContact CG2-CE1 3.87Å; V276-F308 HydrophobicContact CG2-CE2 4.43Å; V276-F308 HydrophobicContact CG2-CG 4.17Å; V276-F308 HydrophobicContact CG2-CZ 4.17Å; L283-F308 HydrophobicContact CD2-CD2 4.23Å; L283-F308 HydrophobicContact CD2-CE2 4.49Å; L304-F308 HydrophobicContact CD2-CD2 4.44Å; L304-F308 HydrophobicContact CD2-CE2 4.19Å; L304-F308 WeakPolarHBondContact O-CD2 3.18Å; L304-F308 PolarHBondContact O-N 2.83Å; R305-F308 PolarHBondContact NH1-O 3.22Å; R305-F308 VanDerWaalsContact NH1-O 3.15Å; R305-F308 CarbonylContact O-C 3.5Å; R305-F308 PolarHBondContact O-N 3.15Å; F308-D310 VanDerWaalsContact C-N 3.26Å; F308-D310 PolarHBondContact O-N 2.8Å; F308-V311 HydrophobicContact CB-CB 4.02Å; F308-V311 HydrophobicContact CB-CG2 4.03Å; F308-V311 PolarHBondContact O-N 2.93Å | ||
| 309 | P | 98 | Very high | 98.5 | Very high | 67 Ų | 67 | 33.4 Ų | 33.4 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.7 | -173.4 | 24 | -34.6 | 0 | 0 | 0 | 113.9 | R103 R305 | R103-P309 PolarHBondContact NE-O 2.84Å; R305-P309 PolarHBondContact NH1-O 2.75Å; R305-P309 VanDerWaalsContact NH1-O 3.11Å; R305-P309 WeakPolarHBondContact O-CA 3.35Å |
| 310 | D | 97.8 | Very high | 98.3 | Very high | 135 Ų | 135 | 30 Ų | 30 | 72% | 0.722 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -12.3 | -173.8 | -57.8 | -50.7 | 0 | 0 | 0 | 114 | F308 | F308-D310 VanDerWaalsContact C-N 3.26Å; F308-D310 PolarHBondContact O-N 2.8Å |
| 311 | V | 98.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 31.1 Ų | 31.1 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -86.7 | 128.1 | -178.8 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | V276 L283 R305 F308 I313 | V276-V311 HydrophobicContact CG1-CG2 4.23Å; V276-V311 HydrophobicContact CG2-CG2 4.4Å; L283-V311 HydrophobicContact CB-CG1 3.95Å; R305-V311 PolarHBondContact NH1-O 2.65Å; F308-V311 HydrophobicContact CB-CB 4.02Å; F308-V311 HydrophobicContact CB-CG2 4.03Å; F308-V311 PolarHBondContact O-N 2.93Å; V311-I313 PolarHBondContact O-N 3.3Å |
| 312 | P | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | trans | -58.2 | 135.5 | 170.3 | -24.6 | 32.4 | 0 | 0 | 0 | 112.3 | A99 V102 R103 H281 I282 L283 D337 | A99-P312 HydrophobicContact CB-CG 4.1Å; A99-P312 WeakPolarHBondContact O-CG 3.48Å; V102-P312 HydrophobicContact CB-CG 4.35Å; V102-P312 HydrophobicContact CG1-CB 3.92Å; V102-P312 HydrophobicContact CG1-CG 4.26Å; R103-P312 HydrophobicContact CB-CG 4.14Å; H281-P312 WeakPolarHBondContact O-CD 3.38Å; I282-P312 HydrophobicContact CB-CB 4.47Å; I282-P312 HydrophobicContact CG1-CB 4.08Å; I282-P312 HydrophobicContact CG1-CG 4.24Å; I282-P312 HydrophobicContact CG2-CB 4.18Å; L283-P312 PolarHBondContact N-O 3.12Å; P312-D337 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 313 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.4 | 176.5 | -61.6 | 174.6 | 0 | 0 | 0 | 109.1 | L283 I301 L304 R305 V311 V315 A336 D337 V338 | L283-I313 WeakPolarHBondContact O-CA 3.44Å; I301-I313 HydrophobicContact CD1-CG2 4.2Å; I301-I313 HydrophobicContact CG2-CG2 4.34Å; L304-I313 HydrophobicContact CB-CD1 3.93Å; R305-I313 HydrophobicContact CB-CD1 4Å; V311-I313 PolarHBondContact O-N 3.3Å; I313-V315 HydrophobicContact CG2-CG2 4.2Å; I313-A336 HydrophobicContact CG2-CB 4.44Å; I313-D337 PolarHBondContact N-OD2 2.73Å; I313-D337 PolarHBondContact O-N 3.03Å; I313-V338 PolarHBondContact O-N 3.02Å |
| 314 | H | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.1 | 176.6 | -165 | 165.6 | 0 | 0 | 0 | 109.8 | M111 F147 R220 E246 I282 L283 S284 I285 V338 D340 | M111-H314 VanDerWaalsContact SD-CE1 3.59Å; F147-H314 AromaticContact CD1-CE1 3.69Å; F147-H314 AromaticContact CE1-CE1 3.37Å; F147-H314 WeakPolarHBondContact CE1-CE1 3.5Å; F147-H314 AromaticContact CE1-ND1 3.45Å; F147-H314 WeakPolarHBondContact CE1-ND1 3.31Å; R220-H314 PolarHBondContact NH2-CE1 3.32Å; R220-H314 PolarHBondContact NH2-ND1 3.03Å; R220-H314 PolarHBondContact NH2-NE2 3.25Å; R220-H314 VanDerWaalsContact NH2-NE2 3.12Å; E246-H314 IonicContact OE1-CG 2.84Å; E246-H314 IonicContact OE1-ND1 3.59Å; E246-H314 PolarHBondContact OE1-ND1 2.72Å; E246-H314 IonicContact OE2-ND1 3.89Å; I282-H314 HydrophobicContact CG2-CB 3.91Å; L283-H314 PolarHBondContact O-N 3.31Å; S284-H314 CarbonylContact C-O 3.36Å; S284-H314 WeakPolarHBondContact CA-O 3.2Å; I285-H314 PolarHBondContact N-O 3.48Å; H314-V338 WeakPolarHBondContact CA-O 3.46Å; H314-V338 HydrophobicContact CB-CB 4.27Å; H314-V338 PolarHBondContact CD2-O 2.68Å; H314-V338 VanDerWaalsContact NE2-CG1 3.33Å; H314-V338 WeakPolarHBondContact NE2-CG1 3.42Å; H314-D340 IonicContact CD2-OD1 2.79Å; H314-D340 PolarHBondContact CD2-OD1 3.14Å; H314-D340 IonicContact CE1-OD1 3.92Å; H314-D340 PolarHBondContact CE1-OD1 3.37Å; H314-D340 IonicContact NE2-OD1 2.87Å; H314-D340 PolarHBondContact NE2-OD1 3.32Å |
| 315 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.2 | 176.7 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | I285 L292 I301 I313 M328 C331 A336 V338 V339 D340 | I285-V315 HydrophobicContact CB-CG1 4.43Å; L292-V315 HydrophobicContact CD1-CG1 4.19Å; I301-V315 HydrophobicContact CD1-CG2 3.51Å; I301-V315 HydrophobicContact CG1-CG2 4.07Å; I313-V315 HydrophobicContact CG2-CG2 4.2Å; V315-M328 HydrophobicContact CB-CE 4.37Å; V315-M328 HydrophobicContact CB-SD 4.28Å; V315-M328 HydrophobicContact CG1-CE 3.64Å; V315-M328 HydrophobicContact CG1-SD 4.1Å; V315-C331 HydrophobicContact CB-CB 4.35Å; V315-C331 HydrophobicContact CG2-CB 4.03Å; V315-A336 HydrophobicContact CG2-CB 3.81Å; V315-V338 PolarHBondContact N-O 3.04Å; V315-V339 HydrophobicContact CB-CG1 4.49Å; V315-V339 WeakPolarHBondContact O-CA 3.32Å; V315-D340 PolarHBondContact O-N 3.33Å |
| 316 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.8 | 172.9 | 167 | 95.2 | 0 | 0 | 0 | 109.5 | D117 I285 K286 D287 H318 D340 Q352 | D117-H316 IonicContact OD2-CE1 2.7Å; D117-H316 PolarHBondContact OD2-CE1 3.34Å; D117-H316 IonicContact OD2-NE2 2.93Å; I285-H316 PolarHBondContact O-N 3.46Å; K286-H316 PolarHBondContact NZ-CD2 3.44Å; K286-H316 PolarHBondContact NZ-CE1 2.84Å; K286-H316 PolarHBondContact NZ-NE2 3.35Å; D287-H316 WeakPolarHBondContact CB-O 3.44Å; D287-H316 PolarHBondContact N-O 3.11Å; H316-H318 AromaticContact CE1-NE2 3.8Å; H316-H318 AromaticContact NE2-CD2 3.49Å; H316-H318 PolarHBondContact NE2-CD2 3.27Å; H316-H318 AromaticContact NE2-NE2 3.25Å; H316-H318 PolarHBondContact NE2-NE2 2.89Å; H316-D340 HydrophobicContact CB-CB 4.36Å; H316-D340 VanDerWaalsContact CB-OD2 3.29Å; H316-D340 WeakPolarHBondContact CB-OD2 3.45Å; H316-D340 IonicContact CE1-OD2 2.74Å; H316-D340 IonicContact CG-OD2 3.09Å; H316-D340 VanDerWaalsContact CG-OD2 3.32Å; H316-D340 IonicContact ND1-OD2 3.86Å; H316-D340 PolarHBondContact ND1-OD2 3.02Å; H316-Q352 PolarHBondContact CE1-NE2 2.68Å; H316-Q352 VanDerWaalsContact CE1-NE2 3.27Å |
| 317 | T | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 171.2 | 169.7 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | D287 M328 Q352 P353 | D287-T317 WeakPolarHBondContact O-CA 3.45Å; D287-T317 PolarHBondContact OD2-OG1 3.49Å; T317-M328 HydrophobicContact CG2-CE 3.39Å; T317-M328 HydrophobicContact CG2-CG 3.84Å; T317-M328 HydrophobicContact CG2-SD 3.68Å; T317-Q352 PolarHBondContact O-NE2 3.33Å; T317-P353 HydrophobicContact CG2-CG 3.62Å |
| 318 | H | 97.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | trans | -112.2 | 151.7 | 165.8 | -69 | -105.5 | 0 | 0 | 0 | 109.9 | D117 S121 D287 M288 G290 H316 T320 T350 S351 Q352 | D117-H318 IonicContact OD2-CE1 3.27Å; D117-H318 PolarHBondContact OD2-CE1 3.36Å; D117-H318 IonicContact OD2-NE2 3.58Å; D117-H318 PolarHBondContact OD2-NE2 3.11Å; S121-H318 PolarHBondContact OG-CE1 2.83Å; D287-H318 PolarHBondContact O-CD2 3.48Å; D287-H318 PolarHBondContact O-N 2.91Å; M288-H318 PolarHBondContact O-CD2 3.2Å; M288-H318 PolarHBondContact O-NE2 3.28Å; G290-H318 WeakPolarHBondContact CA-O 3.35Å; H316-H318 AromaticContact CE1-NE2 3.8Å; H316-H318 AromaticContact NE2-CD2 3.49Å; H316-H318 PolarHBondContact NE2-CD2 3.27Å; H316-H318 AromaticContact NE2-NE2 3.25Å; H316-H318 PolarHBondContact NE2-NE2 2.89Å; H318-T320 PolarHBondContact O-N 3.11Å; H318-T350 PolarHBondContact ND1-O 2.76Å; H318-S351 CarbonylContact C-O 3.54Å; H318-S351 WeakPolarHBondContact CA-O 3.35Å; H318-Q352 PolarHBondContact CE1-NE2 2.81Å; H318-Q352 VanDerWaalsContact CE1-NE2 3.34Å | ||
| 319 | D | 96.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 23.4 Ų | 23.4 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | trans | -93.3 | 28.9 | -179.4 | -163.1 | 30.4 | 0 | 0 | 0 | 112.3 | A321 G322 A323 G324 M349 S351 P353 | D319-A321 VanDerWaalsContact C-N 3.26Å; D319-A321 PolarHBondContact O-N 3.46Å; D319-G322 PolarHBondContact O-N 3.27Å; D319-G322 VanDerWaalsContact OD1-CA 3.29Å; D319-G322 WeakPolarHBondContact OD1-CA 3.24Å; D319-A323 PolarHBondContact OD1-N 3.2Å; D319-G324 WeakPolarHBondContact OD1-CA 3.42Å; D319-G324 PolarHBondContact OD1-N 3.43Å; D319-M349 CarbonylContact C-O 3.6Å; D319-M349 VanDerWaalsContact O-O 3.1Å; D319-S351 PolarHBondContact N-O 3.4Å; D319-P353 HydrophobicContact CB-CG 4.49Å | ||
| 320 | T | 94.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -41.2 | -171 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | A289 H318 M349 T350 G402 N403 V406 | A289-T320 PolarHBondContact O-OG1 3.33Å; H318-T320 PolarHBondContact O-N 3.11Å; T320-M349 WeakPolarHBondContact CA-O 3.19Å; T320-M349 PolarHBondContact N-O 2.69Å; T320-T350 HydrophobicContact CG2-CG2 4.24Å; T320-G402 CarbonylContact O-C 3.55Å; T320-G402 VanDerWaalsContact O-C 3.3Å; T320-G402 WeakPolarHBondContact O-CA 3.15Å; T320-N403 PolarHBondContact O-N 3.49Å; T320-V406 HydrophobicContact CG2-CB 3.95Å; T320-V406 HydrophobicContact CG2-CG1 4.13Å; T320-V406 HydrophobicContact CG2-CG2 4.05Å |
| 321 | A | 94.2 | Very high | 97.8 | Very high | 24 Ų | 24 | 14 Ų | 14 | 20% | 0.198 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -2.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D319 A323 V406 Y407 | D319-A321 VanDerWaalsContact C-N 3.26Å; D319-A321 PolarHBondContact O-N 3.46Å; A321-A323 VanDerWaalsContact C-N 3.3Å; A321-V406 HydrophobicContact CB-CG1 3.91Å; A321-Y407 HydrophobicContact CB-CD2 4.39Å; A321-Y407 HydrophobicContact CB-CE1 4.46Å; A321-Y407 HydrophobicContact CB-CE2 3.5Å; A321-Y407 WeakPolarHBondContact CB-OH 3.41Å |
| 322 | G | 95.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 13 Ų | 13 | 59% | 0.588 | 10% | 0.099 | S | C | * | . | S | Bend | trans | 72.3 | 19.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D319 | D319-G322 PolarHBondContact O-N 3.27Å; D319-G322 VanDerWaalsContact OD1-CA 3.29Å; D319-G322 WeakPolarHBondContact OD1-CA 3.24Å |
| 323 | A | 96.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 17.8 Ų | 17.8 | 20% | 0.198 | 12% | 0.121 | C | C | . | . | trans | -112.9 | -0.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D319 A321 V325 A326 A327 | D319-A323 PolarHBondContact OD1-N 3.2Å; A321-A323 VanDerWaalsContact C-N 3.3Å; A323-V325 PolarHBondContact O-N 3.25Å; A323-A326 PolarHBondContact O-N 3.48Å; A323-A327 PolarHBondContact O-N 3.24Å | ||
| 324 | G | 97.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D319 A326 A327 M328 P353 | D319-G324 WeakPolarHBondContact OD1-CA 3.42Å; D319-G324 PolarHBondContact OD1-N 3.43Å; G324-A326 VanDerWaalsContact C-N 3.34Å; G324-A326 PolarHBondContact O-N 2.72Å; G324-A327 PolarHBondContact O-N 2.93Å; G324-M328 WeakPolarHBondContact O-CG 3.41Å; G324-M328 PolarHBondContact O-N 2.79Å; G324-P353 VanDerWaalsContact C-CG 3.48Å |
| 325 | V | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 19.9 Ų | 19.9 | 19% | 0.194 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | A323 A327 M328 L329 P353 A357 I358 | A323-V325 PolarHBondContact O-N 3.25Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.46Å; V325-M328 PolarHBondContact O-N 2.96Å; V325-L329 HydrophobicContact CG1-CD1 4.23Å; V325-L329 WeakPolarHBondContact O-CG 3.4Å; V325-L329 PolarHBondContact O-N 3.28Å; V325-P353 HydrophobicContact CG2-CB 3.83Å; V325-A357 HydrophobicContact CG1-CB 4.13Å; V325-A357 HydrophobicContact CG2-CB 4.06Å; V325-I358 HydrophobicContact CB-CD1 4.47Å; V325-I358 HydrophobicContact CG1-CD1 3.87Å |
| 326 | A | 98.5 | Very high | 97.7 | Very high | 50 Ų | 50 | 20.2 Ų | 20.2 | 41% | 0.413 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P294 A323 G324 A330 | P294-A326 HydrophobicContact CG-CB 4.01Å; A323-A326 PolarHBondContact O-N 3.48Å; G324-A326 VanDerWaalsContact C-N 3.34Å; G324-A326 PolarHBondContact O-N 2.72Å; A326-A330 WeakPolarHBondContact O-CB 3.45Å; A326-A330 PolarHBondContact O-N 3.1Å |
| 327 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L292 A323 G324 V325 A330 C331 | L292-A327 WeakPolarHBondContact O-CB 3.25Å; A323-A327 PolarHBondContact O-N 3.24Å; G324-A327 PolarHBondContact O-N 2.93Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.46Å; A327-A330 WeakPolarHBondContact O-CB 3.43Å; A327-A330 PolarHBondContact O-N 2.98Å; A327-C331 PolarHBondContact O-N 3.27Å; A327-C331 PolarHBondContact O-SG 3.04Å |
| 328 | M | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 177.7 | -66.9 | -54 | 86.6 | 0 | 0 | 112.4 | V315 T317 G324 V325 A330 C331 A332 V339 P353 I358 | V315-M328 HydrophobicContact CB-CE 4.37Å; V315-M328 HydrophobicContact CB-SD 4.28Å; V315-M328 HydrophobicContact CG1-CE 3.64Å; V315-M328 HydrophobicContact CG1-SD 4.1Å; T317-M328 HydrophobicContact CG2-CE 3.39Å; T317-M328 HydrophobicContact CG2-CG 3.84Å; T317-M328 HydrophobicContact CG2-SD 3.68Å; G324-M328 WeakPolarHBondContact O-CG 3.41Å; G324-M328 PolarHBondContact O-N 2.79Å; V325-M328 PolarHBondContact O-N 2.96Å; M328-A330 VanDerWaalsContact C-N 3.31Å; M328-A330 PolarHBondContact O-N 3.16Å; M328-C331 WeakPolarHBondContact O-CB 3.21Å; M328-C331 PolarHBondContact O-N 3.43Å; M328-A332 PolarHBondContact O-N 3.36Å; M328-V339 HydrophobicContact CB-CB 4.2Å; M328-V339 HydrophobicContact CB-CG1 4.06Å; M328-V339 HydrophobicContact CB-CG2 4.37Å; M328-V339 HydrophobicContact CG-CB 4.18Å; M328-V339 HydrophobicContact CG-CG1 4.33Å; M328-V339 HydrophobicContact SD-CB 3.81Å; M328-V339 HydrophobicContact SD-CG1 3.78Å; M328-P353 HydrophobicContact CG-CB 4.48Å; M328-P353 HydrophobicContact CG-CG 3.83Å; M328-I358 HydrophobicContact CB-CD1 3.92Å |
| 329 | L | 98.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 20.5 Ų | 20.5 | 22% | 0.22 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 171 | -68.4 | 172.9 | 0 | 0 | 0 | 111.4 | V325 C331 A332 E333 I358 C361 T362 | V325-L329 HydrophobicContact CG1-CD1 4.23Å; V325-L329 WeakPolarHBondContact O-CG 3.4Å; V325-L329 PolarHBondContact O-N 3.28Å; L329-C331 PolarHBondContact O-N 2.88Å; L329-A332 PolarHBondContact O-N 2.88Å; L329-E333 WeakPolarHBondContact O-CB 3.38Å; L329-E333 WeakPolarHBondContact O-CG 3.26Å; L329-E333 PolarHBondContact O-N 3.32Å; L329-I358 HydrophobicContact CD2-CD1 4.16Å; L329-I358 HydrophobicContact CG-CD1 4.06Å; L329-C361 HydrophobicContact CD1-CB 3.92Å; L329-C361 HydrophobicContact CD2-CB 4.02Å; L329-T362 HydrophobicContact CD2-CG2 3.79Å |
| 330 | A | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P294 K298 A326 A327 M328 E333 A334 | P294-A330 HydrophobicContact CB-CB 3.95Å; K298-A330 HydrophobicContact CG-CB 4.15Å; A326-A330 WeakPolarHBondContact O-CB 3.45Å; A326-A330 PolarHBondContact O-N 3.1Å; A327-A330 WeakPolarHBondContact O-CB 3.43Å; A327-A330 PolarHBondContact O-N 2.98Å; M328-A330 VanDerWaalsContact C-N 3.31Å; M328-A330 PolarHBondContact O-N 3.16Å; A330-E333 PolarHBondContact O-N 3.28Å; A330-A334 WeakPolarHBondContact O-CB 3.34Å; A330-A334 PolarHBondContact O-N 2.97Å |
| 331 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 172.7 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | S297 I301 V315 A327 M328 L329 E333 A334 G335 A336 | S297-C331 VanDerWaalsContact CB-SG 3.52Å; I301-C331 HydrophobicContact CG1-CB 4.17Å; V315-C331 HydrophobicContact CB-CB 4.35Å; V315-C331 HydrophobicContact CG2-CB 4.03Å; A327-C331 PolarHBondContact O-N 3.27Å; A327-C331 PolarHBondContact O-SG 3.04Å; M328-C331 WeakPolarHBondContact O-CB 3.21Å; M328-C331 PolarHBondContact O-N 3.43Å; L329-C331 PolarHBondContact O-N 2.88Å; C331-E333 VanDerWaalsContact C-N 3.31Å; C331-E333 PolarHBondContact O-N 3.5Å; C331-A334 CarbonylContact O-C 3.41Å; C331-A334 PolarHBondContact O-N 3.49Å; C331-A334 VanDerWaalsContact O-N 3.14Å; C331-G335 PolarHBondContact O-N 3.31Å; C331-G335 VanDerWaalsContact O-N 3.12Å; C331-A336 HydrophobicContact CB-CB 4.01Å; C331-A336 WeakPolarHBondContact O-CB 3.35Å; C331-A336 PolarHBondContact O-N 3.49Å |
| 332 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L108 M328 L329 A334 G335 Y367 | L108-A332 HydrophobicContact CD1-CB 3.94Å; L108-A332 HydrophobicContact CD2-CB 3.82Å; L108-A332 HydrophobicContact CG-CB 4.41Å; M328-A332 PolarHBondContact O-N 3.36Å; L329-A332 PolarHBondContact O-N 2.88Å; A332-A334 PolarHBondContact O-N 2.85Å; A332-G335 PolarHBondContact O-N 3.33Å; A332-G335 VanDerWaalsContact O-N 3.09Å; A332-Y367 HydrophobicContact CB-CD1 4.44Å; A332-Y367 VanDerWaalsContact O-CE1 3.26Å; A332-Y367 WeakPolarHBondContact O-CE1 3.48Å |
| 333 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 15.5 Ų | 15.5 | 49% | 0.491 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -58.2 | -35.4 | 174.6 | -78.5 | 178.5 | -175.6 | 0 | 0 | 113.8 | K298 L329 A330 C331 G335 Y367 | K298-E333 WeakPolarHBondContact CE-OE2 3.47Å; K298-E333 IonicContact NZ-OE2 2.64Å; K298-E333 PolarHBondContact NZ-OE2 2.86Å; L329-E333 WeakPolarHBondContact O-CB 3.38Å; L329-E333 WeakPolarHBondContact O-CG 3.26Å; L329-E333 PolarHBondContact O-N 3.32Å; A330-E333 PolarHBondContact O-N 3.28Å; C331-E333 VanDerWaalsContact C-N 3.31Å; C331-E333 PolarHBondContact O-N 3.5Å; E333-G335 VanDerWaalsContact C-N 3.33Å; E333-Y367 WeakPolarHBondContact CA-OH 3.25Å; E333-Y367 HydrophobicContact CG-CE2 3.97Å; E333-Y367 PolarHBondContact O-OH 3.4Å |
| 334 | A | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 16.7 Ų | 16.7 | 17% | 0.165 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I301 A330 C331 A332 | I301-A334 HydrophobicContact CB-CB 3.87Å; I301-A334 HydrophobicContact CG2-CB 3.91Å; A330-A334 WeakPolarHBondContact O-CB 3.34Å; A330-A334 PolarHBondContact O-N 2.97Å; C331-A334 CarbonylContact O-C 3.41Å; C331-A334 PolarHBondContact O-N 3.49Å; C331-A334 VanDerWaalsContact O-N 3.14Å; A332-A334 PolarHBondContact O-N 2.85Å |
| 335 | G | 98.1 | Very high | 98.6 | Very high | 23 Ų | 23 | 16.9 Ų | 16.9 | 24% | 0.237 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | 23.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R305 C331 A332 E333 | R305-G335 PolarHBondContact NE-O 2.93Å; R305-G335 VanDerWaalsContact NE-O 3.07Å; R305-G335 PolarHBondContact NH2-O 3.02Å; C331-G335 PolarHBondContact O-N 3.31Å; C331-G335 VanDerWaalsContact O-N 3.12Å; A332-G335 PolarHBondContact O-N 3.33Å; A332-G335 VanDerWaalsContact O-N 3.09Å; E333-G335 VanDerWaalsContact C-N 3.33Å |
| 336 | A | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 15.3 Ų | 15.3 | 7% | 0.066 | 10% | 0.096 | C | C | . | . | trans | -64.5 | 138.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I301 I313 V315 C331 | I301-A336 HydrophobicContact CG2-CB 4.09Å; I313-A336 HydrophobicContact CG2-CB 4.44Å; V315-A336 HydrophobicContact CG2-CB 3.81Å; C331-A336 HydrophobicContact CB-CB 4.01Å; C331-A336 WeakPolarHBondContact O-CB 3.35Å; C331-A336 PolarHBondContact O-N 3.49Å | ||
| 337 | D | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 13.5 Ų | 13.5 | 7% | 0.07 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -90.5 | -29 | 178 | -48.9 | -82.8 | 0 | 0 | 0 | 111.4 | V102 R103 L109 R305 P312 I313 | V102-D337 HydrophobicContact CG1-CB 4.31Å; R103-D337 IonicContact CZ-OD1 3.17Å; R103-D337 IonicContact NE-OD1 3.83Å; R103-D337 IonicContact NH1-OD1 2.91Å; R103-D337 PolarHBondContact NH1-OD1 3.07Å; L109-D337 PolarHBondContact N-O 2.8Å; R305-D337 IonicContact CZ-OD2 3.81Å; R305-D337 VanDerWaalsContact NH2-CG 3.31Å; R305-D337 IonicContact NH2-OD1 2.69Å; R305-D337 PolarHBondContact NH2-OD1 2.92Å; R305-D337 IonicContact NH2-OD2 3.66Å; R305-D337 PolarHBondContact NH2-OD2 3.24Å; P312-D337 WeakPolarHBondContact CA-OD2 3.44Å; I313-D337 PolarHBondContact N-OD2 2.73Å; I313-D337 PolarHBondContact O-N 3.03Å |
| 338 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.8 | -177.8 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | V102 L109 M111 F147 I313 H314 V315 | V102-V338 HydrophobicContact CG1-CG2 3.94Å; L109-V338 HydrophobicContact CB-CG1 4.33Å; L109-V338 HydrophobicContact CB-CG2 4.1Å; L109-V338 HydrophobicContact CD1-CG2 4.46Å; L109-V338 WeakPolarHBondContact O-CA 3.31Å; M111-V338 HydrophobicContact CB-CG1 4.29Å; F147-V338 HydrophobicContact CB-CG1 3.74Å; F147-V338 HydrophobicContact CB-CG2 4.22Å; F147-V338 HydrophobicContact CD1-CG1 3.67Å; F147-V338 HydrophobicContact CD1-CG2 4.29Å; F147-V338 HydrophobicContact CD2-CG1 4.48Å; F147-V338 HydrophobicContact CD2-CG2 3.74Å; F147-V338 HydrophobicContact CE1-CG1 4.38Å; F147-V338 HydrophobicContact CE2-CG2 4.14Å; F147-V338 HydrophobicContact CG-CB 4.43Å; F147-V338 HydrophobicContact CG-CG1 3.71Å; F147-V338 HydrophobicContact CG-CG2 3.82Å; I313-V338 PolarHBondContact O-N 3.02Å; H314-V338 WeakPolarHBondContact CA-O 3.46Å; H314-V338 HydrophobicContact CB-CB 4.27Å; H314-V338 PolarHBondContact CD2-O 2.68Å; H314-V338 VanDerWaalsContact NE2-CG1 3.33Å; H314-V338 WeakPolarHBondContact NE2-CG1 3.42Å; V315-V338 PolarHBondContact N-O 3.04Å |
| 339 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.6 | 167.4 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | L108 L109 L110 M111 V315 M328 V341 | L108-V339 HydrophobicContact CD1-CG1 4.2Å; L108-V339 HydrophobicContact CD1-CG2 4.24Å; L108-V339 HydrophobicContact CD2-CG2 3.74Å; L108-V339 HydrophobicContact CG-CG2 4.14Å; L109-V339 PolarHBondContact O-N 3.13Å; L109-V339 VanDerWaalsContact O-N 3.14Å; L110-V339 HydrophobicContact CD2-CG2 3.65Å; M111-V339 PolarHBondContact N-O 2.8Å; V315-V339 HydrophobicContact CB-CG1 4.49Å; V315-V339 WeakPolarHBondContact O-CA 3.32Å; M328-V339 HydrophobicContact CB-CB 4.2Å; M328-V339 HydrophobicContact CB-CG1 4.06Å; M328-V339 HydrophobicContact CB-CG2 4.37Å; M328-V339 HydrophobicContact CG-CB 4.18Å; M328-V339 HydrophobicContact CG-CG1 4.33Å; M328-V339 HydrophobicContact SD-CB 3.81Å; M328-V339 HydrophobicContact SD-CG1 3.78Å; V339-V341 HydrophobicContact CG2-CG1 4.48Å |
| 340 | D | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135.4 | 174.3 | -72.4 | 9.2 | 0 | 0 | 0 | 111.5 | M111 T113 R220 H314 V315 H316 Q352 | M111-D340 HydrophobicContact CE-CB 4.19Å; M111-D340 WeakPolarHBondContact CE-OD1 3.39Å; M111-D340 WeakPolarHBondContact CE-OD2 3.33Å; T113-D340 HydrophobicContact CG2-CB 4.06Å; R220-D340 IonicContact CZ-OD1 2.9Å; R220-D340 IonicContact CZ-OD2 3.86Å; R220-D340 IonicContact NH1-OD1 2.7Å; R220-D340 IonicContact NH1-OD2 3.21Å; R220-D340 PolarHBondContact NH1-OD2 2.82Å; R220-D340 IonicContact NH2-OD1 3.02Å; R220-D340 PolarHBondContact NH2-OD1 3.26Å; R220-D340 VanDerWaalsContact NH2-OD1 3.09Å; R220-D340 IonicContact NH2-OD2 3.2Å; R220-D340 PolarHBondContact NH2-OD2 2.85Å; H314-D340 IonicContact CD2-OD1 2.79Å; H314-D340 PolarHBondContact CD2-OD1 3.14Å; H314-D340 IonicContact CE1-OD1 3.92Å; H314-D340 PolarHBondContact CE1-OD1 3.37Å; H314-D340 IonicContact NE2-OD1 2.87Å; H314-D340 PolarHBondContact NE2-OD1 3.32Å; V315-D340 PolarHBondContact O-N 3.33Å; H316-D340 HydrophobicContact CB-CB 4.36Å; H316-D340 VanDerWaalsContact CB-OD2 3.29Å; H316-D340 WeakPolarHBondContact CB-OD2 3.45Å; H316-D340 IonicContact CE1-OD2 2.74Å; H316-D340 IonicContact CG-OD2 3.09Å; H316-D340 VanDerWaalsContact CG-OD2 3.32Å; H316-D340 IonicContact ND1-OD2 3.86Å; H316-D340 PolarHBondContact ND1-OD2 3.02Å; D340-Q352 HydrophobicContact CB-CG 4.07Å |
| 341 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.2 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | L110 M111 D112 T113 V339 P353 M355 I358 | L110-V341 HydrophobicContact CB-CG2 3.97Å; L110-V341 HydrophobicContact CD1-CG2 4.02Å; L110-V341 HydrophobicContact CD2-CG1 4.21Å; L110-V341 HydrophobicContact CG-CG2 4.44Å; M111-V341 PolarHBondContact O-N 3.25Å; D112-V341 WeakPolarHBondContact CA-O 3.25Å; T113-V341 PolarHBondContact N-O 2.88Å; T113-V341 PolarHBondContact OG1-O 3.34Å; V339-V341 HydrophobicContact CG2-CG1 4.48Å; V341-P353 WeakPolarHBondContact CA-O 3.47Å; V341-M355 HydrophobicContact CB-CB 3.96Å; V341-M355 HydrophobicContact CG2-CB 3.84Å; V341-M355 HydrophobicContact CG2-CE 3.75Å; V341-M355 HydrophobicContact CG2-CG 3.93Å; V341-I358 HydrophobicContact CG1-CB 4.31Å; V341-I358 HydrophobicContact CG1-CG1 4Å |
| 342 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | B | Isolated β-bridge | trans | -119.3 | 153.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A118 M346 A347 Q352 P353 M355 | A118-A342 HydrophobicContact CB-CB 3.9Å; A342-M346 WeakPolarHBondContact CB-O 3.45Å; A342-A347 HydrophobicContact CB-CB 4.02Å; A342-Q352 HydrophobicContact CB-CB 3.99Å; A342-P353 PolarHBondContact N-O 2.82Å; A342-P353 VanDerWaalsContact N-O 3.07Å; A342-M355 VanDerWaalsContact O-CB 3.25Å; A342-M355 WeakPolarHBondContact O-CB 3.47Å; A342-M355 PolarHBondContact O-N 3.07Å |
| 343 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -59.1 | 146.8 | 171.3 | 70.3 | 0 | 0 | 0 | 0 | 110.4 | T114 S345 M346 A347 Y379 S380 W383 | T114-V343 HydrophobicContact CG2-CG1 3.64Å; T114-V343 PolarHBondContact OG1-N 2.89Å; V343-S345 PolarHBondContact O-N 3.13Å; V343-S345 VanDerWaalsContact O-N 3.16Å; V343-M346 HydrophobicContact CG1-CB 3.85Å; V343-M346 HydrophobicContact CG1-CG 4.02Å; V343-M346 CarbonylContact O-C 3.58Å; V343-M346 VanDerWaalsContact O-C 3.25Å; V343-M346 WeakPolarHBondContact O-CA 3.41Å; V343-M346 PolarHBondContact O-N 3.42Å; V343-A347 WeakPolarHBondContact O-CB 3.24Å; V343-A347 PolarHBondContact O-N 3.42Å; V343-Y379 HydrophobicContact CB-CD1 3.61Å; V343-Y379 HydrophobicContact CB-CE1 3.64Å; V343-Y379 HydrophobicContact CB-CG 4.32Å; V343-Y379 HydrophobicContact CG1-CD1 4.39Å; V343-Y379 HydrophobicContact CG1-CE1 4.2Å; V343-Y379 HydrophobicContact CG2-CD1 3.36Å; V343-Y379 HydrophobicContact CG2-CE1 3.95Å; V343-Y379 HydrophobicContact CG2-CG 3.73Å; V343-S380 VanDerWaalsContact CG2-CA 3.5Å; V343-W383 HydrophobicContact CG1-CB 4.03Å; V343-W383 HydrophobicContact CG1-CG 3.86Å | ||
| 344 | D | 98.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 9.2 Ų | 9.2 | 26% | 0.262 | 7% | 0.065 | S | C | . | . | G | 310 helix | trans | -53.4 | -44.6 | -163.6 | -58.8 | -17.5 | 0 | 0 | 0 | 114.5 | M346 A347 S354 G356 | D344-M346 PolarHBondContact O-N 3.21Å; D344-A347 PolarHBondContact O-N 3.33Å; D344-A347 VanDerWaalsContact O-N 3.14Å; D344-S354 WeakPolarHBondContact OD1-CB 3.46Å; D344-S354 PolarHBondContact OD1-OG 3.46Å; D344-G356 WeakPolarHBondContact OD1-CA 3.19Å; D344-G356 PolarHBondContact OD1-N 2.85Å |
| 345 | S | 97.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 8.2 Ų | 8.2 | 4% | 0.042 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -67.6 | -14.3 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | V343 S380 W383 E384 R387 | V343-S345 PolarHBondContact O-N 3.13Å; V343-S345 VanDerWaalsContact O-N 3.16Å; S345-S380 WeakPolarHBondContact CB-O 3.19Å; S345-S380 PolarHBondContact N-OG 3.44Å; S345-S380 PolarHBondContact OG-O 3.02Å; S345-S380 PolarHBondContact OG-OG 2.83Å; S345-W383 WeakPolarHBondContact OG-CB 3.43Å; S345-E384 WeakPolarHBondContact CB-OE2 3.18Å; S345-E384 PolarHBondContact OG-N 3.24Å; S345-R387 WeakPolarHBondContact O-CD 3.5Å; S345-R387 PolarHBondContact O-NH1 2.83Å |
| 346 | M | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -116.2 | 12.1 | 175.9 | -63.7 | -67.4 | -71.7 | 0 | 0 | 112.5 | T114 A118 H119 L122 L123 A342 V343 D344 S351 W383 R387 | T114-M346 HydrophobicContact CG2-CB 4.13Å; T114-M346 HydrophobicContact CG2-CG 4.08Å; A118-M346 HydrophobicContact CB-CB 4.29Å; H119-M346 HydrophobicContact CB-CE 3.78Å; L122-M346 HydrophobicContact CD1-CB 4.48Å; L122-M346 WeakPolarHBondContact CD1-O 3.4Å; L123-M346 HydrophobicContact CD1-CE 3.73Å; L123-M346 HydrophobicContact CD1-SD 4.27Å; L123-M346 HydrophobicContact CG-CE 4.44Å; A342-M346 WeakPolarHBondContact CB-O 3.45Å; V343-M346 HydrophobicContact CG1-CB 3.85Å; V343-M346 HydrophobicContact CG1-CG 4.02Å; V343-M346 CarbonylContact O-C 3.58Å; V343-M346 VanDerWaalsContact O-C 3.25Å; V343-M346 WeakPolarHBondContact O-CA 3.41Å; V343-M346 PolarHBondContact O-N 3.42Å; D344-M346 PolarHBondContact O-N 3.21Å; M346-S351 VanDerWaalsContact O-CB 3.31Å; M346-S351 WeakPolarHBondContact O-CB 3.15Å; M346-S351 PolarHBondContact O-OG 3.25Å; M346-W383 HydrophobicContact CE-CE3 4.32Å; M346-W383 HydrophobicContact CE-CZ3 4.43Å; M346-W383 HydrophobicContact CG-CB 3.89Å; M346-W383 HydrophobicContact CG-CD2 4.03Å; M346-W383 HydrophobicContact CG-CE3 3.96Å; M346-W383 HydrophobicContact CG-CG 4.03Å; M346-W383 HydrophobicContact SD-CE3 4.11Å; M346-R387 HydrophobicContact SD-CB 4.11Å; M346-R387 HydrophobicContact SD-CG 4.19Å |
| 347 | A | 97.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 8.5 Ų | 8.5 | 9% | 0.091 | 6% | 0.058 | C | C | . | . | trans | -105.5 | 177 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A342 V343 D344 Q352 | A342-A347 HydrophobicContact CB-CB 4.02Å; V343-A347 WeakPolarHBondContact O-CB 3.24Å; V343-A347 PolarHBondContact O-N 3.42Å; D344-A347 PolarHBondContact O-N 3.33Å; D344-A347 VanDerWaalsContact O-N 3.14Å; A347-Q352 WeakPolarHBondContact CB-O 3.39Å | ||
| 348 | G | 95.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 7.9 Ų | 7.9 | 14% | 0.144 | 6% | 0.055 | C | C | . | . | S | Bend | trans | 74.3 | 175.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | T350 S351 Q352 | G348-T350 PolarHBondContact O-N 3Å; G348-S351 WeakPolarHBondContact O-CB 3.33Å; G348-S351 PolarHBondContact O-N 3.48Å; G348-Q352 PolarHBondContact N-O 3.37Å |
| 349 | M | 92.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 8.1 Ų | 8.1 | 13% | 0.128 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -134.4 | -174.5 | -53.9 | -178.4 | -69.7 | 0 | 0 | 110 | L122 D319 T320 S351 T396 M399 | L122-M349 HydrophobicContact CD2-CE 3.68Å; D319-M349 CarbonylContact C-O 3.6Å; D319-M349 VanDerWaalsContact O-O 3.1Å; T320-M349 WeakPolarHBondContact CA-O 3.19Å; T320-M349 PolarHBondContact N-O 2.69Å; M349-S351 PolarHBondContact O-N 2.88Å; M349-S351 VanDerWaalsContact O-N 3.11Å; M349-T396 HydrophobicContact CE-CG2 3.54Å; M349-T396 HydrophobicContact SD-CG2 3.86Å; M349-M399 HydrophobicContact CB-CE 3.89Å; M349-M399 HydrophobicContact CG-CE 4.48Å; M349-M399 HydrophobicContact SD-CE 4.3Å |
| 350 | T | 93.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -2.2 | 178.7 | 48.2 | 0 | 0 | 0 | 0 | 114 | S121 H318 T320 G348 M399 Y416 | S121-T350 WeakPolarHBondContact CB-O 3.38Å; S121-T350 PolarHBondContact O-OG1 3.49Å; S121-T350 PolarHBondContact OG-O 3.07Å; H318-T350 PolarHBondContact ND1-O 2.76Å; T320-T350 HydrophobicContact CG2-CG2 4.24Å; G348-T350 PolarHBondContact O-N 3Å; T350-M399 HydrophobicContact CG2-CE 3.88Å; T350-Y416 HydrophobicContact CG2-CD1 4.34Å; T350-Y416 HydrophobicContact CG2-CG 4.28Å |
| 351 | S | 96.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -85.7 | -174.2 | 175.2 | -160.5 | 0 | 0 | 0 | 0 | 112 | A118 H318 D319 M346 G348 M349 | A118-S351 VanDerWaalsContact CA-OG 3.3Å; A118-S351 WeakPolarHBondContact CA-OG 3.3Å; A118-S351 WeakPolarHBondContact CB-OG 3.33Å; H318-S351 CarbonylContact C-O 3.54Å; H318-S351 WeakPolarHBondContact CA-O 3.35Å; D319-S351 PolarHBondContact N-O 3.4Å; M346-S351 VanDerWaalsContact O-CB 3.31Å; M346-S351 WeakPolarHBondContact O-CB 3.15Å; M346-S351 PolarHBondContact O-OG 3.25Å; G348-S351 WeakPolarHBondContact O-CB 3.33Å; G348-S351 PolarHBondContact O-N 3.48Å; M349-S351 PolarHBondContact O-N 2.88Å; M349-S351 VanDerWaalsContact O-N 3.11Å |
| 352 | Q | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 164.4 | 172.4 | -82.1 | 62.6 | 59.8 | 0 | 0 | 112.6 | T113 D117 H316 T317 H318 D340 A342 A347 G348 | T113-Q352 HydrophobicContact CG2-CG 3.86Å; T113-Q352 VanDerWaalsContact OG1-CD 3.32Å; T113-Q352 WeakPolarHBondContact OG1-CG 3.38Å; T113-Q352 PolarHBondContact OG1-OE1 3.11Å; D117-Q352 PolarHBondContact OD2-NE2 3.3Å; H316-Q352 PolarHBondContact CE1-NE2 2.68Å; H316-Q352 VanDerWaalsContact CE1-NE2 3.27Å; T317-Q352 PolarHBondContact O-NE2 3.33Å; H318-Q352 PolarHBondContact CE1-NE2 2.81Å; H318-Q352 VanDerWaalsContact CE1-NE2 3.34Å; D340-Q352 HydrophobicContact CB-CG 4.07Å; A342-Q352 HydrophobicContact CB-CB 3.99Å; A347-Q352 WeakPolarHBondContact CB-O 3.39Å; G348-Q352 PolarHBondContact N-O 3.37Å |
| 353 | P | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 150.1 | 167.2 | -25.2 | 36.6 | 0 | 0 | 0 | 112.9 | T317 D319 G324 V325 M328 V341 A342 M355 | T317-P353 HydrophobicContact CG2-CG 3.62Å; D319-P353 HydrophobicContact CB-CG 4.49Å; G324-P353 VanDerWaalsContact C-CG 3.48Å; V325-P353 HydrophobicContact CG2-CB 3.83Å; M328-P353 HydrophobicContact CG-CB 4.48Å; M328-P353 HydrophobicContact CG-CG 3.83Å; V341-P353 WeakPolarHBondContact CA-O 3.47Å; A342-P353 PolarHBondContact N-O 2.82Å; A342-P353 VanDerWaalsContact N-O 3.07Å; P353-M355 PolarHBondContact O-N 3.45Å |
| 354 | S | 98.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 125.9 | 179.9 | 151.7 | 0 | 0 | 0 | 0 | 112 | D344 G356 A357 I358 | D344-S354 WeakPolarHBondContact OD1-CB 3.46Å; D344-S354 PolarHBondContact OD1-OG 3.46Å; S354-G356 PolarHBondContact OG-N 2.73Å; S354-A357 PolarHBondContact O-N 3.29Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 2.76Å; S354-I358 WeakPolarHBondContact O-CG1 3.35Å; S354-I358 PolarHBondContact O-N 2.87Å; S354-I358 VanDerWaalsContact O-N 3.13Å |
| 355 | M | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 173.7 | 179.9 | -174.6 | -69 | 0 | 0 | 110.9 | L110 D112 F143 V341 A342 P353 A357 I358 V359 V376 Y379 | L110-M355 HydrophobicContact CD1-CG 4.14Å; D112-M355 HydrophobicContact CB-CE 3.9Å; F143-M355 HydrophobicContact CD1-SD 4.31Å; F143-M355 HydrophobicContact CE1-SD 3.66Å; F143-M355 HydrophobicContact CZ-SD 4.42Å; V341-M355 HydrophobicContact CB-CB 3.96Å; V341-M355 HydrophobicContact CG2-CB 3.84Å; V341-M355 HydrophobicContact CG2-CE 3.75Å; V341-M355 HydrophobicContact CG2-CG 3.93Å; A342-M355 VanDerWaalsContact O-CB 3.25Å; A342-M355 WeakPolarHBondContact O-CB 3.47Å; A342-M355 PolarHBondContact O-N 3.07Å; P353-M355 PolarHBondContact O-N 3.45Å; M355-A357 VanDerWaalsContact C-N 3.3Å; M355-A357 PolarHBondContact O-N 3.38Å; M355-I358 PolarHBondContact O-N 3.36Å; M355-V359 HydrophobicContact CG-CG2 4.26Å; M355-V359 WeakPolarHBondContact O-CB 3.36Å; M355-V359 VanDerWaalsContact O-CG2 3.25Å; M355-V359 WeakPolarHBondContact O-CG2 3.38Å; M355-V359 PolarHBondContact O-N 2.93Å; M355-V376 HydrophobicContact CB-CG1 4.39Å; M355-V376 HydrophobicContact CG-CG1 4.19Å; M355-V376 HydrophobicContact CG-CG2 4.38Å; M355-V376 HydrophobicContact SD-CG1 4.15Å; M355-V376 HydrophobicContact SD-CG2 4.19Å; M355-Y379 HydrophobicContact CE-CE1 4.44Å |
| 356 | G | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D344 S354 A360 | D344-G356 WeakPolarHBondContact OD1-CA 3.19Å; D344-G356 PolarHBondContact OD1-N 2.85Å; S354-G356 PolarHBondContact OG-N 2.73Å; G356-A360 WeakPolarHBondContact O-CB 3.44Å; G356-A360 PolarHBondContact O-N 3.35Å |
| 357 | A | 98.6 | Very high | 97.6 | Very high | 31 Ų | 31 | 35 Ų | 35 | 26% | 0.256 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V325 S354 M355 A360 C361 | V325-A357 HydrophobicContact CG1-CB 4.13Å; V325-A357 HydrophobicContact CG2-CB 4.06Å; S354-A357 PolarHBondContact O-N 3.29Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 2.76Å; M355-A357 VanDerWaalsContact C-N 3.3Å; M355-A357 PolarHBondContact O-N 3.38Å; A357-A360 PolarHBondContact O-N 3.37Å; A357-C361 VanDerWaalsContact O-CB 3.3Å; A357-C361 WeakPolarHBondContact O-CB 3.48Å; A357-C361 PolarHBondContact O-N 3.07Å; A357-C361 PolarHBondContact O-SG 3.5Å |
| 358 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 178.4 | -65 | -68.2 | 0 | 0 | 0 | 111.2 | L108 L110 V325 M328 L329 V341 S354 M355 A360 C361 T362 | L108-I358 HydrophobicContact CD2-CG2 4.06Å; L110-I358 HydrophobicContact CD2-CG2 3.81Å; V325-I358 HydrophobicContact CB-CD1 4.47Å; V325-I358 HydrophobicContact CG1-CD1 3.87Å; M328-I358 HydrophobicContact CB-CD1 3.92Å; L329-I358 HydrophobicContact CD2-CD1 4.16Å; L329-I358 HydrophobicContact CG-CD1 4.06Å; V341-I358 HydrophobicContact CG1-CB 4.31Å; V341-I358 HydrophobicContact CG1-CG1 4Å; S354-I358 WeakPolarHBondContact O-CG1 3.35Å; S354-I358 PolarHBondContact O-N 2.87Å; S354-I358 VanDerWaalsContact O-N 3.13Å; M355-I358 PolarHBondContact O-N 3.36Å; I358-A360 VanDerWaalsContact C-N 3.34Å; I358-A360 PolarHBondContact O-N 2.93Å; I358-C361 PolarHBondContact O-N 3.2Å; I358-T362 HydrophobicContact CG2-CG2 4.38Å; I358-T362 WeakPolarHBondContact O-CB 3.33Å; I358-T362 WeakPolarHBondContact O-CG2 3.43Å; I358-T362 PolarHBondContact O-N 3.38Å; I358-T362 PolarHBondContact O-OG1 2.84Å |
| 359 | V | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L110 M355 T362 K363 T369 I371 L373 V376 | L110-V359 HydrophobicContact CD1-CG2 3.81Å; M355-V359 HydrophobicContact CG-CG2 4.26Å; M355-V359 WeakPolarHBondContact O-CB 3.36Å; M355-V359 VanDerWaalsContact O-CG2 3.25Å; M355-V359 WeakPolarHBondContact O-CG2 3.38Å; M355-V359 PolarHBondContact O-N 2.93Å; V359-T362 PolarHBondContact O-OG1 3.47Å; V359-K363 PolarHBondContact O-N 2.89Å; V359-T369 HydrophobicContact CG2-CG2 4.5Å; V359-I371 HydrophobicContact CG1-CB 4.35Å; V359-I371 VanDerWaalsContact CG1-O 3.3Å; V359-I371 WeakPolarHBondContact CG1-O 3.49Å; V359-I371 HydrophobicContact CG2-CB 4.05Å; V359-I371 HydrophobicContact CG2-CD1 4.41Å; V359-I371 HydrophobicContact CG2-CG2 4.25Å; V359-L373 HydrophobicContact CB-CD1 4.14Å; V359-L373 HydrophobicContact CG1-CB 4.42Å; V359-L373 HydrophobicContact CG1-CD1 3.93Å; V359-V376 HydrophobicContact CG2-CG2 4.45Å |
| 360 | A | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G356 A357 I358 T362 K363 L373 | G356-A360 WeakPolarHBondContact O-CB 3.44Å; G356-A360 PolarHBondContact O-N 3.35Å; A357-A360 PolarHBondContact O-N 3.37Å; I358-A360 VanDerWaalsContact C-N 3.34Å; I358-A360 PolarHBondContact O-N 2.93Å; A360-T362 VanDerWaalsContact C-N 3.33Å; A360-T362 PolarHBondContact O-N 3.46Å; A360-K363 PolarHBondContact O-N 3.05Å; A360-L373 HydrophobicContact CB-CD1 4.39Å; A360-L373 HydrophobicContact CB-CD2 4.23Å |
| 361 | C | 98.5 | Very high | 98.1 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 49% | 0.493 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.1 | -28 | -178.5 | -73.9 | 0 | 0 | 0 | 0 | 113.5 | L329 A357 I358 | L329-C361 HydrophobicContact CD1-CB 3.92Å; L329-C361 HydrophobicContact CD2-CB 4.02Å; A357-C361 VanDerWaalsContact O-CB 3.3Å; A357-C361 WeakPolarHBondContact O-CB 3.48Å; A357-C361 PolarHBondContact O-N 3.07Å; A357-C361 PolarHBondContact O-SG 3.5Å; I358-C361 PolarHBondContact O-N 3.2Å |
| 362 | T | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -90.7 | -14.9 | 180 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | L108 L329 I358 V359 A360 G364 T365 Y367 D368 | L108-T362 HydrophobicContact CD2-CG2 4.29Å; L329-T362 HydrophobicContact CD2-CG2 3.79Å; I358-T362 HydrophobicContact CG2-CG2 4.38Å; I358-T362 WeakPolarHBondContact O-CB 3.33Å; I358-T362 WeakPolarHBondContact O-CG2 3.43Å; I358-T362 PolarHBondContact O-N 3.38Å; I358-T362 PolarHBondContact O-OG1 2.84Å; V359-T362 PolarHBondContact O-OG1 3.47Å; A360-T362 VanDerWaalsContact C-N 3.33Å; A360-T362 PolarHBondContact O-N 3.46Å; T362-G364 PolarHBondContact O-N 2.79Å; T362-T365 WeakPolarHBondContact O-CB 3.35Å; T362-T365 WeakPolarHBondContact O-CG2 3.21Å; T362-T365 PolarHBondContact O-N 2.54Å; T362-T365 PolarHBondContact O-OG1 2.85Å; T362-Y367 WeakPolarHBondContact CB-O 3.25Å; T362-D368 WeakPolarHBondContact O-CA 3.48Å; T362-D368 PolarHBondContact O-N 3.08Å |
| 363 | K | 98 | Very high | 98.1 | Very high | 147 Ų | 147 | 43.9 Ų | 43.9 | 64% | 0.639 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 128.6 | -178 | -172.9 | 174.4 | -177.9 | 176 | 0 | 112.5 | V359 A360 T365 D368 | V359-K363 PolarHBondContact O-N 2.89Å; A360-K363 PolarHBondContact O-N 3.05Å; K363-T365 PolarHBondContact O-N 3.44Å; K363-D368 WeakPolarHBondContact CA-OD2 3.39Å |
| 364 | G | 96.9 | Very high | 98 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 76% | 0.763 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T362 D368 | T362-G364 PolarHBondContact O-N 2.79Å; G364-D368 PolarHBondContact N-OD2 3.23Å |
| 365 | T | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 52 Ų | 52 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -97.5 | 175.2 | 170.9 | 79.2 | 0 | 0 | 0 | 0 | 110.3 | T362 K363 Y367 D368 | T362-T365 WeakPolarHBondContact O-CB 3.35Å; T362-T365 WeakPolarHBondContact O-CG2 3.21Å; T362-T365 PolarHBondContact O-N 2.54Å; T362-T365 PolarHBondContact O-OG1 2.85Å; K363-T365 PolarHBondContact O-N 3.44Å; T365-Y367 PolarHBondContact O-N 2.68Å; T365-Y367 VanDerWaalsContact O-N 3.15Å; T365-Y367 PolarHBondContact OG1-N 3.28Å; T365-Y367 VanDerWaalsContact OG1-N 3.07Å; T365-D368 WeakPolarHBondContact O-CB 3.43Å; T365-D368 PolarHBondContact O-N 2.87Å |
| 366 | K | 97.6 | Very high | 98 | Very high | 160 Ų | 160 | 52 Ų | 52 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -8.6 | 171.7 | 69 | 178.4 | -172 | 168.8 | 0 | 114.1 | ||
| 367 | Y | 98.3 | Very high | 98 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 12 | 178.1 | -55 | -61.4 | 0 | 0 | 0 | 112.6 | L108 A332 E333 T362 T365 T369 | L108-Y367 WeakPolarHBondContact CB-O 3.46Å; L108-Y367 PolarHBondContact N-O 3.07Å; A332-Y367 HydrophobicContact CB-CD1 4.44Å; A332-Y367 VanDerWaalsContact O-CE1 3.26Å; A332-Y367 WeakPolarHBondContact O-CE1 3.48Å; E333-Y367 WeakPolarHBondContact CA-OH 3.25Å; E333-Y367 HydrophobicContact CG-CE2 3.97Å; E333-Y367 PolarHBondContact O-OH 3.4Å; T362-Y367 WeakPolarHBondContact CB-O 3.25Å; T365-Y367 PolarHBondContact O-N 2.68Å; T365-Y367 VanDerWaalsContact O-N 3.15Å; T365-Y367 PolarHBondContact OG1-N 3.28Å; T365-Y367 VanDerWaalsContact OG1-N 3.07Å; Y367-T369 PolarHBondContact O-N 3.34Å |
| 368 | D | 98.4 | Very high | 97.9 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | -51.7 | 129.3 | 179 | -161.7 | -38.5 | 0 | 0 | 0 | 110.8 | G107 T362 K363 G364 T365 G370 | G107-D368 WeakPolarHBondContact CA-O 3.42Å; T362-D368 WeakPolarHBondContact O-CA 3.48Å; T362-D368 PolarHBondContact O-N 3.08Å; K363-D368 WeakPolarHBondContact CA-OD2 3.39Å; G364-D368 PolarHBondContact N-OD2 3.23Å; T365-D368 WeakPolarHBondContact O-CB 3.43Å; T365-D368 PolarHBondContact O-N 2.87Å; D368-G370 VanDerWaalsContact C-N 3.34Å; D368-G370 PolarHBondContact OD1-N 3.21Å | ||
| 369 | T | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | trans | -80.6 | -17.9 | -176.8 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | L108 L110 N145 V359 Y367 I371 | L108-T369 HydrophobicContact CB-CG2 4.41Å; L108-T369 WeakPolarHBondContact O-CA 3.19Å; L108-T369 WeakPolarHBondContact O-CG2 3.13Å; L110-T369 HydrophobicContact CD1-CG2 4.06Å; L110-T369 HydrophobicContact CD2-CG2 4.04Å; L110-T369 HydrophobicContact CG-CG2 3.97Å; N145-T369 PolarHBondContact ND2-O 2.92Å; V359-T369 HydrophobicContact CG2-CG2 4.5Å; Y367-T369 PolarHBondContact O-N 3.34Å; T369-I371 PolarHBondContact O-N 2.83Å; T369-I371 PolarHBondContact OG1-N 2.93Å | ||
| 370 | G | 96.7 | Very high | 97.9 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | trans | 71.2 | 1.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | D368 | D368-G370 VanDerWaalsContact C-N 3.34Å; D368-G370 PolarHBondContact OD1-N 3.21Å | ||
| 371 | I | 97.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | trans | -79 | 129.7 | 177.4 | -62.9 | 172.9 | 0 | 0 | 0 | 109.8 | L110 F143 N145 L146 V359 T369 L373 V376 | L110-I371 HydrophobicContact CB-CD1 4.45Å; L110-I371 HydrophobicContact CD1-CD1 3.69Å; L110-I371 HydrophobicContact CG-CD1 4.21Å; F143-I371 HydrophobicContact CD1-CD1 4.48Å; F143-I371 HydrophobicContact CD1-CG2 4.1Å; F143-I371 HydrophobicContact CE1-CG2 3.86Å; N145-I371 VanDerWaalsContact ND2-CG1 3.33Å; N145-I371 WeakPolarHBondContact ND2-CG1 3.21Å; L146-I371 HydrophobicContact CD2-CD1 4.24Å; V359-I371 HydrophobicContact CG1-CB 4.35Å; V359-I371 VanDerWaalsContact CG1-O 3.3Å; V359-I371 WeakPolarHBondContact CG1-O 3.49Å; V359-I371 HydrophobicContact CG2-CB 4.05Å; V359-I371 HydrophobicContact CG2-CD1 4.41Å; V359-I371 HydrophobicContact CG2-CG2 4.25Å; T369-I371 PolarHBondContact O-N 2.83Å; T369-I371 PolarHBondContact OG1-N 2.93Å; I371-L373 PolarHBondContact O-N 2.99Å; I371-V376 HydrophobicContact CG2-CG2 3.75Å | ||
| 372 | A | 96.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | trans | -72.4 | 118 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E374 K375 V376 | A372-E374 PolarHBondContact O-N 2.83Å; A372-K375 HydrophobicContact CB-CG 4.06Å; A372-K375 WeakPolarHBondContact O-CB 3.25Å; A372-K375 PolarHBondContact O-N 3.32Å; A372-V376 PolarHBondContact O-N 3.39Å | ||
| 373 | L | 97.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -33.2 | -176.2 | -166.8 | 66.7 | 0 | 0 | 0 | 113.4 | V359 A360 I371 K375 V376 F377 | V359-L373 HydrophobicContact CB-CD1 4.14Å; V359-L373 HydrophobicContact CG1-CB 4.42Å; V359-L373 HydrophobicContact CG1-CD1 3.93Å; A360-L373 HydrophobicContact CB-CD1 4.39Å; A360-L373 HydrophobicContact CB-CD2 4.23Å; I371-L373 PolarHBondContact O-N 2.99Å; L373-K375 VanDerWaalsContact C-N 3.26Å; L373-K375 PolarHBondContact O-N 2.82Å; L373-V376 HydrophobicContact CD1-CB 4.46Å; L373-V376 WeakPolarHBondContact O-CB 3.45Å; L373-V376 PolarHBondContact O-N 3.36Å; L373-V376 VanDerWaalsContact O-N 3.08Å; L373-F377 HydrophobicContact CB-CZ 4.5Å; L373-F377 HydrophobicContact CD1-CE1 4.03Å; L373-F377 HydrophobicContact CD1-CZ 4.27Å; L373-F377 HydrophobicContact CD2-CE1 4.11Å; L373-F377 HydrophobicContact CD2-CE2 4.29Å; L373-F377 HydrophobicContact CD2-CZ 3.53Å; L373-F377 HydrophobicContact CG-CE1 3.66Å; L373-F377 HydrophobicContact CG-CE2 4.08Å; L373-F377 HydrophobicContact CG-CZ 3.42Å; L373-F377 VanDerWaalsContact CG-CZ 3.42Å; L373-F377 WeakPolarHBondContact O-CD1 2.93Å; L373-F377 WeakPolarHBondContact O-CG 3.3Å; L373-F377 PolarHBondContact O-N 3.24Å; L373-F377 VanDerWaalsContact O-N 3.09Å |
| 374 | E | 97.6 | Very high | 97.9 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.621 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.2 | -37.5 | 173.3 | -173.5 | 179.9 | -173 | 0 | 0 | 112.2 | A372 V376 F377 D378 | A372-E374 PolarHBondContact O-N 2.83Å; E374-V376 VanDerWaalsContact C-N 3.32Å; E374-V376 PolarHBondContact O-N 3.23Å; E374-F377 WeakPolarHBondContact O-CB 3.18Å; E374-F377 PolarHBondContact O-N 3.48Å; E374-F377 VanDerWaalsContact O-N 3.16Å; E374-D378 PolarHBondContact O-N 3.28Å |
| 375 | K | 97.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 56 Ų | 56 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.6 | -28.6 | 176.5 | -59 | -53.6 | 178.1 | -165.9 | 0 | 112.9 | F138 N142 F143 A372 L373 F377 D378 Y379 | F138-K375 HydrophobicContact CE2-CD 4.46Å; F138-K375 HydrophobicContact CZ-CB 4.36Å; F138-K375 HydrophobicContact CZ-CD 4.04Å; N142-K375 HydrophobicContact CB-CB 4.13Å; N142-K375 HydrophobicContact CB-CD 4.39Å; N142-K375 HydrophobicContact CB-CG 4.11Å; N142-K375 WeakPolarHBondContact OD1-CD 2.97Å; N142-K375 WeakPolarHBondContact OD1-CE 3.35Å; F143-K375 HydrophobicContact CZ-CB 4.42Å; A372-K375 HydrophobicContact CB-CG 4.06Å; A372-K375 WeakPolarHBondContact O-CB 3.25Å; A372-K375 PolarHBondContact O-N 3.32Å; L373-K375 VanDerWaalsContact C-N 3.26Å; L373-K375 PolarHBondContact O-N 2.82Å; K375-F377 VanDerWaalsContact C-N 3.32Å; K375-D378 IonicContact NZ-OD2 2.95Å; K375-D378 PolarHBondContact NZ-OD2 2.88Å; K375-Y379 WeakPolarHBondContact O-CB 3.47Å; K375-Y379 PolarHBondContact O-N 3.07Å |
| 376 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 170 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | F143 M355 V359 I371 A372 L373 E374 Y379 S380 | F143-V376 HydrophobicContact CE1-CG2 4.14Å; F143-V376 HydrophobicContact CZ-CG2 4.45Å; M355-V376 HydrophobicContact CB-CG1 4.39Å; M355-V376 HydrophobicContact CG-CG1 4.19Å; M355-V376 HydrophobicContact CG-CG2 4.38Å; M355-V376 HydrophobicContact SD-CG1 4.15Å; M355-V376 HydrophobicContact SD-CG2 4.19Å; V359-V376 HydrophobicContact CG2-CG2 4.45Å; I371-V376 HydrophobicContact CG2-CG2 3.75Å; A372-V376 PolarHBondContact O-N 3.39Å; L373-V376 HydrophobicContact CD1-CB 4.46Å; L373-V376 WeakPolarHBondContact O-CB 3.45Å; L373-V376 PolarHBondContact O-N 3.36Å; L373-V376 VanDerWaalsContact O-N 3.08Å; E374-V376 VanDerWaalsContact C-N 3.32Å; E374-V376 PolarHBondContact O-N 3.23Å; V376-Y379 PolarHBondContact O-N 2.9Å; V376-S380 VanDerWaalsContact O-CB 3.31Å; V376-S380 WeakPolarHBondContact O-CB 3.36Å; V376-S380 PolarHBondContact O-N 2.88Å |
| 377 | F | 98.2 | Very high | 97.9 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 48% | 0.478 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -48.7 | 177.4 | -55.3 | -26.3 | 0 | 0 | 0 | 112 | L373 E374 K375 Y379 S380 E381 | L373-F377 HydrophobicContact CB-CZ 4.5Å; L373-F377 HydrophobicContact CD1-CE1 4.03Å; L373-F377 HydrophobicContact CD1-CZ 4.27Å; L373-F377 HydrophobicContact CD2-CE1 4.11Å; L373-F377 HydrophobicContact CD2-CE2 4.29Å; L373-F377 HydrophobicContact CD2-CZ 3.53Å; L373-F377 HydrophobicContact CG-CE1 3.66Å; L373-F377 HydrophobicContact CG-CE2 4.08Å; L373-F377 HydrophobicContact CG-CZ 3.42Å; L373-F377 VanDerWaalsContact CG-CZ 3.42Å; L373-F377 WeakPolarHBondContact O-CD1 2.93Å; L373-F377 WeakPolarHBondContact O-CG 3.3Å; L373-F377 PolarHBondContact O-N 3.24Å; L373-F377 VanDerWaalsContact O-N 3.09Å; E374-F377 WeakPolarHBondContact O-CB 3.18Å; E374-F377 PolarHBondContact O-N 3.48Å; E374-F377 VanDerWaalsContact O-N 3.16Å; K375-F377 VanDerWaalsContact C-N 3.32Å; F377-Y379 VanDerWaalsContact C-N 3.25Å; F377-Y379 PolarHBondContact O-N 2.74Å; F377-S380 WeakPolarHBondContact O-CB 3.35Å; F377-S380 PolarHBondContact O-N 3.31Å; F377-S380 VanDerWaalsContact O-N 3.09Å; F377-E381 PolarHBondContact O-N 3.1Å |
| 378 | D | 98.2 | Very high | 97.8 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.3 | -43.2 | 174.9 | -68.6 | -21.9 | 0 | 0 | 0 | 111.1 | P75 F138 E374 K375 Y382 | P75-D378 HydrophobicContact CB-CB 4.25Å; P75-D378 HydrophobicContact CG-CB 4.22Å; P75-D378 WeakPolarHBondContact CG-O 3.43Å; F138-D378 HydrophobicContact CE1-CB 4.19Å; F138-D378 HydrophobicContact CE2-CB 4.2Å; F138-D378 HydrophobicContact CZ-CB 3.53Å; E374-D378 PolarHBondContact O-N 3.28Å; K375-D378 IonicContact NZ-OD2 2.95Å; K375-D378 PolarHBondContact NZ-OD2 2.88Å; D378-Y382 PolarHBondContact O-N 2.96Å |
| 379 | Y | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.2 | -170.2 | -152.1 | 0 | 0 | 0 | 111.9 | D112 T114 F115 I135 F138 V139 F143 V343 M355 K375 V376 F377 W383 | D112-Y379 WeakPolarHBondContact OD2-CE1 3.33Å; D112-Y379 PolarHBondContact OD2-OH 3.48Å; T114-Y379 WeakPolarHBondContact CB-OH 3.39Å; F115-Y379 VanDerWaalsContact CE1-OH 3.28Å; F115-Y379 WeakPolarHBondContact CE1-OH 3.3Å; I135-Y379 HydrophobicContact CD1-CD2 4.22Å; I135-Y379 HydrophobicContact CG1-CD2 3.72Å; I135-Y379 HydrophobicContact CG1-CE2 3.67Å; I135-Y379 HydrophobicContact CG2-CE2 4.42Å; F138-Y379 HydrophobicContact CD1-CD2 4.47Å; V139-Y379 HydrophobicContact CG2-CD2 4.39Å; V139-Y379 HydrophobicContact CG2-CE2 3.68Å; F143-Y379 HydrophobicContact CE1-CD1 4.44Å; F143-Y379 HydrophobicContact CE2-CD1 4.02Å; F143-Y379 HydrophobicContact CE2-CG 4.12Å; F143-Y379 AromaticContact CZ-CD1 3.76Å; F143-Y379 HydrophobicContact CZ-CD1 3.76Å; F143-Y379 HydrophobicContact CZ-CG 4.13Å; V343-Y379 HydrophobicContact CB-CD1 3.61Å; V343-Y379 HydrophobicContact CB-CE1 3.64Å; V343-Y379 HydrophobicContact CB-CG 4.32Å; V343-Y379 HydrophobicContact CG1-CD1 4.39Å; V343-Y379 HydrophobicContact CG1-CE1 4.2Å; V343-Y379 HydrophobicContact CG2-CD1 3.36Å; V343-Y379 HydrophobicContact CG2-CE1 3.95Å; V343-Y379 HydrophobicContact CG2-CG 3.73Å; M355-Y379 HydrophobicContact CE-CE1 4.44Å; K375-Y379 WeakPolarHBondContact O-CB 3.47Å; K375-Y379 PolarHBondContact O-N 3.07Å; V376-Y379 PolarHBondContact O-N 2.9Å; F377-Y379 VanDerWaalsContact C-N 3.25Å; F377-Y379 PolarHBondContact O-N 2.74Å; Y379-W383 AromaticContact CD2-CD1 3.59Å; Y379-W383 AromaticContact CD2-NE1 3.71Å; Y379-W383 AromaticContact CE2-CD1 3.34Å; Y379-W383 AromaticContact CE2-NE1 2.96Å; Y379-W383 AromaticContact CZ-CD1 3.85Å; Y379-W383 AromaticContact CZ-NE1 3.38Å; Y379-W383 PolarHBondContact O-N 3.02Å; Y379-W383 PolarHBondContact OH-NE1 2.56Å |
| 380 | S | 98.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 43 Ų | 43 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 180 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | V343 S345 V376 F377 Y382 W383 E384 | V343-S380 VanDerWaalsContact CG2-CA 3.5Å; S345-S380 WeakPolarHBondContact CB-O 3.19Å; S345-S380 PolarHBondContact N-OG 3.44Å; S345-S380 PolarHBondContact OG-O 3.02Å; S345-S380 PolarHBondContact OG-OG 2.83Å; V376-S380 VanDerWaalsContact O-CB 3.31Å; V376-S380 WeakPolarHBondContact O-CB 3.36Å; V376-S380 PolarHBondContact O-N 2.88Å; F377-S380 WeakPolarHBondContact O-CB 3.35Å; F377-S380 PolarHBondContact O-N 3.31Å; F377-S380 VanDerWaalsContact O-N 3.09Å; S380-Y382 PolarHBondContact O-N 2.79Å; S380-W383 CarbonylContact O-C 3.47Å; S380-W383 PolarHBondContact O-N 2.91Å; S380-W383 VanDerWaalsContact O-N 3.13Å; S380-E384 WeakPolarHBondContact O-CB 3.44Å; S380-E384 PolarHBondContact O-N 3.31Å |
| 381 | E | 97.9 | Very high | 97.5 | Very high | 134 Ų | 134 | 41.3 Ų | 41.3 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.9 | -42.2 | 178.8 | -174.3 | 174.5 | -168.5 | 0 | 0 | 112 | F377 W383 E384 V385 | F377-E381 PolarHBondContact O-N 3.1Å; E381-W383 VanDerWaalsContact C-N 3.32Å; E381-W383 PolarHBondContact O-N 3.11Å; E381-E384 PolarHBondContact O-N 3.26Å; E381-V385 PolarHBondContact O-N 3.45Å |
| 382 | Y | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 172.1 | 172.7 | -95.8 | 0 | 0 | 0 | 111.4 | P72 V73 V74 D131 K134 I135 D378 S380 T386 | P72-Y382 HydrophobicContact CB-CD2 3.86Å; P72-Y382 HydrophobicContact CB-CE2 3.67Å; P72-Y382 HydrophobicContact CG-CE2 3.88Å; V73-Y382 WeakPolarHBondContact O-CD2 3.37Å; V74-Y382 HydrophobicContact CG2-CD2 4.37Å; V74-Y382 HydrophobicContact CG2-CE2 3.94Å; D131-Y382 PolarHBondContact O-OH 3.01Å; K134-Y382 HydrophobicContact CB-CE2 4.44Å; K134-Y382 WeakPolarHBondContact CB-OH 3.29Å; I135-Y382 HydrophobicContact CB-CD1 3.71Å; I135-Y382 HydrophobicContact CB-CE1 3.47Å; I135-Y382 VanDerWaalsContact CB-CE1 3.47Å; I135-Y382 HydrophobicContact CB-CE2 4.42Å; I135-Y382 HydrophobicContact CB-CG 4.28Å; I135-Y382 HydrophobicContact CD1-CD1 3.73Å; I135-Y382 HydrophobicContact CD1-CD2 4.02Å; I135-Y382 HydrophobicContact CD1-CE1 4.34Å; I135-Y382 HydrophobicContact CD1-CG 3.54Å; I135-Y382 HydrophobicContact CG1-CD1 3.59Å; I135-Y382 HydrophobicContact CG1-CE1 3.93Å; I135-Y382 HydrophobicContact CG1-CG 3.98Å; I135-Y382 HydrophobicContact CG2-CD1 4.18Å; I135-Y382 HydrophobicContact CG2-CE1 3.72Å; D378-Y382 PolarHBondContact O-N 2.96Å; S380-Y382 PolarHBondContact O-N 2.79Å; Y382-T386 HydrophobicContact CE1-CG2 4.38Å; Y382-T386 WeakPolarHBondContact CE1-OG1 3.25Å; Y382-T386 VanDerWaalsContact O-CB 3.29Å; Y382-T386 WeakPolarHBondContact O-CB 3.46Å; Y382-T386 PolarHBondContact O-N 2.9Å; Y382-T386 PolarHBondContact O-OG1 3.14Å |
| 383 | W | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.7 | -28.4 | -176.8 | -82.9 | 111.4 | 0 | 0 | 0 | 113.5 | T114 F115 V127 L132 I135 V343 S345 M346 Y379 S380 E381 T386 R387 | T114-W383 HydrophobicContact CG2-CD2 3.87Å; T114-W383 HydrophobicContact CG2-CG 4.22Å; T114-W383 HydrophobicContact CG2-CH2 4.43Å; T114-W383 HydrophobicContact CG2-CZ2 3.72Å; F115-W383 HydrophobicContact CD1-CZ2 4.36Å; F115-W383 HydrophobicContact CE1-CZ2 4.13Å; V127-W383 HydrophobicContact CG1-CH2 3.81Å; V127-W383 HydrophobicContact CG1-CZ3 3.99Å; V127-W383 HydrophobicContact CG2-CZ3 4.33Å; L132-W383 HydrophobicContact CD2-CH2 3.69Å; L132-W383 HydrophobicContact CD2-CZ2 3.99Å; I135-W383 HydrophobicContact CG2-CZ2 4.08Å; V343-W383 HydrophobicContact CG1-CB 4.03Å; V343-W383 HydrophobicContact CG1-CG 3.86Å; S345-W383 WeakPolarHBondContact OG-CB 3.43Å; M346-W383 HydrophobicContact CE-CE3 4.32Å; M346-W383 HydrophobicContact CE-CZ3 4.43Å; M346-W383 HydrophobicContact CG-CB 3.89Å; M346-W383 HydrophobicContact CG-CD2 4.03Å; M346-W383 HydrophobicContact CG-CE3 3.96Å; M346-W383 HydrophobicContact CG-CG 4.03Å; M346-W383 HydrophobicContact SD-CE3 4.11Å; Y379-W383 AromaticContact CD2-CD1 3.59Å; Y379-W383 AromaticContact CD2-NE1 3.71Å; Y379-W383 AromaticContact CE2-CD1 3.34Å; Y379-W383 AromaticContact CE2-NE1 2.96Å; Y379-W383 AromaticContact CZ-CD1 3.85Å; Y379-W383 AromaticContact CZ-NE1 3.38Å; Y379-W383 PolarHBondContact O-N 3.02Å; Y379-W383 PolarHBondContact OH-NE1 2.56Å; S380-W383 CarbonylContact O-C 3.47Å; S380-W383 PolarHBondContact O-N 2.91Å; S380-W383 VanDerWaalsContact O-N 3.13Å; E381-W383 VanDerWaalsContact C-N 3.32Å; E381-W383 PolarHBondContact O-N 3.11Å; W383-T386 HydrophobicContact CE3-CG2 3.85Å; W383-T386 HydrophobicContact CZ3-CG2 3.75Å; W383-T386 PolarHBondContact O-N 3.34Å; W383-R387 WeakPolarHBondContact O-CB 3.25Å; W383-R387 PolarHBondContact O-N 3.25Å |
| 384 | E | 97.2 | Very high | 96.7 | Very high | 120 Ų | 120 | 36.6 Ų | 36.6 | 56% | 0.561 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -60.4 | -49 | 174.4 | -174.5 | 66 | -156.7 | 0 | 0 | 110.3 | S345 S380 E381 | S345-E384 WeakPolarHBondContact CB-OE2 3.18Å; S345-E384 PolarHBondContact OG-N 3.24Å; S380-E384 WeakPolarHBondContact O-CB 3.44Å; S380-E384 PolarHBondContact O-N 3.31Å; E381-E384 PolarHBondContact O-N 3.26Å |
| 385 | V | 97.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 30.3 Ų | 30.3 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.3 | -42.7 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 111 | T70 P72 E381 R387 G388 | T70-V385 HydrophobicContact CG2-CG1 3.96Å; P72-V385 HydrophobicContact CB-CB 4.12Å; P72-V385 HydrophobicContact CB-CG1 4.07Å; E381-V385 PolarHBondContact O-N 3.45Å; V385-R387 PolarHBondContact O-N 2.68Å; V385-G388 PolarHBondContact O-N 3.16Å; V385-G388 VanDerWaalsContact O-N 3.11Å |
| 386 | T | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | -180 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | P72 D131 Y382 W383 G388 L389 Y390 | P72-T386 WeakPolarHBondContact CB-OG1 3.4Å; P72-T386 WeakPolarHBondContact CG-OG1 3.09Å; D131-T386 HydrophobicContact CB-CG2 3.83Å; Y382-T386 HydrophobicContact CE1-CG2 4.38Å; Y382-T386 WeakPolarHBondContact CE1-OG1 3.25Å; Y382-T386 VanDerWaalsContact O-CB 3.29Å; Y382-T386 WeakPolarHBondContact O-CB 3.46Å; Y382-T386 PolarHBondContact O-N 2.9Å; Y382-T386 PolarHBondContact O-OG1 3.14Å; W383-T386 HydrophobicContact CE3-CG2 3.85Å; W383-T386 HydrophobicContact CZ3-CG2 3.75Å; W383-T386 PolarHBondContact O-N 3.34Å; T386-G388 PolarHBondContact O-N 3.09Å; T386-L389 VanDerWaalsContact O-CB 3.22Å; T386-L389 WeakPolarHBondContact O-CB 3.35Å; T386-L389 WeakPolarHBondContact O-CG 3.18Å; T386-L389 PolarHBondContact O-N 3.07Å; T386-Y390 HydrophobicContact CG2-CE2 3.99Å; T386-Y390 VanDerWaalsContact O-CD2 3.28Å; T386-Y390 WeakPolarHBondContact O-CD2 3.44Å |
| 387 | R | 97.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 31.9 Ų | 31.9 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -34.5 | 176.2 | -177.5 | 175.1 | 176.9 | 166.1 | 3.1 | 111.8 | L123 S345 M346 W383 V385 L389 Y390 A391 D394 | L123-R387 HydrophobicContact CD1-CG 4.5Å; L123-R387 HydrophobicContact CD2-CG 4.25Å; S345-R387 WeakPolarHBondContact O-CD 3.5Å; S345-R387 PolarHBondContact O-NH1 2.83Å; M346-R387 HydrophobicContact SD-CB 4.11Å; M346-R387 HydrophobicContact SD-CG 4.19Å; W383-R387 WeakPolarHBondContact O-CB 3.25Å; W383-R387 PolarHBondContact O-N 3.25Å; V385-R387 PolarHBondContact O-N 2.68Å; R387-L389 PolarHBondContact O-N 2.9Å; R387-Y390 CarbonylContact O-C 3.57Å; R387-Y390 WeakPolarHBondContact O-CA 3.3Å; R387-Y390 PolarHBondContact O-N 3.37Å; R387-A391 PolarHBondContact O-N 3.39Å; R387-D394 IonicContact CZ-OD1 3.63Å; R387-D394 IonicContact CZ-OD2 2.64Å; R387-D394 IonicContact NE-OD1 3.58Å; R387-D394 IonicContact NE-OD2 3.66Å; R387-D394 PolarHBondContact NE-OD2 2.64Å; R387-D394 IonicContact NH2-OD1 2.8Å; R387-D394 PolarHBondContact NH2-OD1 2.9Å; R387-D394 IonicContact NH2-OD2 3.39Å; R387-D394 PolarHBondContact NH2-OD2 2.77Å |
| 388 | G | 96.7 | Very high | 93.6 | Very high | 24 Ų | 24 | 29 Ų | 29 | 25% | 0.247 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.5 | -30.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S68 V385 T386 Y390 A391 | S68-G388 WeakPolarHBondContact CB-O 3.5Å; S68-G388 PolarHBondContact N-O 3.4Å; V385-G388 PolarHBondContact O-N 3.16Å; V385-G388 VanDerWaalsContact O-N 3.11Å; T386-G388 PolarHBondContact O-N 3.09Å; G388-Y390 PolarHBondContact O-N 3.24Å; G388-A391 WeakPolarHBondContact O-CB 3.4Å; G388-A391 PolarHBondContact O-N 3.5Å |
| 389 | L | 96.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.5 | -24.2 | 173.6 | -55.7 | 174.3 | 0 | 0 | 0 | 112.1 | P67 S68 P72 T386 R387 T580 R581 | P67-L389 VanDerWaalsContact CB-O 3.31Å; P67-L389 WeakPolarHBondContact CB-O 3.31Å; S68-L389 WeakPolarHBondContact O-CD2 3.41Å; P72-L389 HydrophobicContact CG-CD1 4.36Å; T386-L389 VanDerWaalsContact O-CB 3.22Å; T386-L389 WeakPolarHBondContact O-CB 3.35Å; T386-L389 WeakPolarHBondContact O-CG 3.18Å; T386-L389 PolarHBondContact O-N 3.07Å; R387-L389 PolarHBondContact O-N 2.9Å; L389-T580 HydrophobicContact CB-CG2 3.97Å; L389-R581 HydrophobicContact CD2-CB 4.46Å |
| 390 | Y | 96.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 12.5 | -178.6 | -61.1 | -81.1 | 0 | 0 | 0 | 113.5 | L123 R126 V127 R128 D131 T386 R387 G388 P392 F393 D394 T580 | L123-Y390 HydrophobicContact CD1-CD2 4.18Å; L123-Y390 HydrophobicContact CD1-CG 4.02Å; R126-Y390 HydrophobicContact CB-CD1 4.19Å; R126-Y390 HydrophobicContact CB-CE1 4.5Å; R126-Y390 WeakPolarHBondContact O-CE1 3.47Å; V127-Y390 HydrophobicContact CG2-CD2 4.24Å; V127-Y390 HydrophobicContact CG2-CE1 4.44Å; V127-Y390 HydrophobicContact CG2-CE2 4.04Å; R128-Y390 WeakPolarHBondContact CB-OH 3.08Å; R128-Y390 HydrophobicContact CG-CE1 4.48Å; R128-Y390 PolarHBondContact N-OH 3.39Å; D131-Y390 WeakPolarHBondContact OD2-CE2 3.48Å; D131-Y390 PolarHBondContact OD2-OH 2.89Å; T386-Y390 HydrophobicContact CG2-CE2 3.99Å; T386-Y390 VanDerWaalsContact O-CD2 3.28Å; T386-Y390 WeakPolarHBondContact O-CD2 3.44Å; R387-Y390 CarbonylContact O-C 3.57Å; R387-Y390 WeakPolarHBondContact O-CA 3.3Å; R387-Y390 PolarHBondContact O-N 3.37Å; G388-Y390 PolarHBondContact O-N 3.24Å; Y390-P392 WeakPolarHBondContact O-CD 3.26Å; Y390-F393 HydrophobicContact CD1-CD2 4.25Å; Y390-F393 PolarHBondContact O-N 3.11Å; Y390-D394 PolarHBondContact O-N 3.44Å; Y390-T580 HydrophobicContact CD1-CG2 4.36Å; Y390-T580 HydrophobicContact CE1-CG2 3.65Å; Y390-T580 HydrophobicContact CE2-CG2 4.08Å; Y390-T580 VanDerWaalsContact CZ-CG2 3.5Å; Y390-T580 PolarHBondContact OH-OG1 3.21Å |
| 391 | A | 94.2 | Very high | 91.7 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -46.4 | -35 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A65 R387 G388 F393 D394 | A65-A391 HydrophobicContact CB-CB 4.17Å; A65-A391 WeakPolarHBondContact CB-O 3.09Å; R387-A391 PolarHBondContact O-N 3.39Å; G388-A391 WeakPolarHBondContact O-CB 3.4Å; G388-A391 PolarHBondContact O-N 3.5Å; A391-F393 PolarHBondContact O-N 3.44Å; A391-F393 VanDerWaalsContact O-N 3.12Å; A391-D394 PolarHBondContact O-N 2.94Å |
| 392 | P | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -62.3 | -12.9 | 174.1 | -20.5 | 31.5 | 0 | 0 | 0 | 115.6 | I61 P62 V63 A65 P67 Y390 | I61-P392 HydrophobicContact CD1-CB 4.16Å; I61-P392 HydrophobicContact CG1-CB 4.17Å; I61-P392 HydrophobicContact CG2-CB 3.72Å; P62-P392 WeakPolarHBondContact CD-O 3.29Å; P62-P392 VanDerWaalsContact CG-O 3.29Å; P62-P392 WeakPolarHBondContact CG-O 3.29Å; V63-P392 VanDerWaalsContact CG2-C 3.48Å; V63-P392 WeakPolarHBondContact CG2-O 3.49Å; A65-P392 WeakPolarHBondContact O-CG 3.29Å; P67-P392 HydrophobicContact CG-CG 3.92Å; Y390-P392 WeakPolarHBondContact O-CD 3.26Å |
| 393 | F | 92 | Very high | 90.7 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -119.9 | -2.4 | -178.2 | -51.6 | -70.3 | 0 | 0 | 0 | 113.2 | T59 P60 I61 P62 R126 Y390 A391 C395 L584 | T59-F393 HydrophobicContact CG2-CE1 3.97Å; T59-F393 HydrophobicContact CG2-CZ 3.74Å; P60-F393 WeakPolarHBondContact O-CE1 3.2Å; I61-F393 HydrophobicContact CG1-CE1 4.39Å; I61-F393 HydrophobicContact CG1-CZ 4.3Å; P62-F393 VanDerWaalsContact CD-CD1 3.48Å; P62-F393 HydrophobicContact CG-CD1 4.02Å; R126-F393 HydrophobicContact CB-CB 4.47Å; R126-F393 HydrophobicContact CB-CD2 3.81Å; R126-F393 HydrophobicContact CB-CE2 4.14Å; R126-F393 HydrophobicContact CB-CG 4.03Å; R126-F393 HydrophobicContact CG-CB 4.24Å; R126-F393 HydrophobicContact CG-CD1 3.75Å; R126-F393 HydrophobicContact CG-CD2 3.91Å; R126-F393 HydrophobicContact CG-CE1 4.03Å; R126-F393 HydrophobicContact CG-CE2 4.17Å; R126-F393 HydrophobicContact CG-CG 3.69Å; R126-F393 HydrophobicContact CG-CZ 4.23Å; Y390-F393 HydrophobicContact CD1-CD2 4.25Å; Y390-F393 PolarHBondContact O-N 3.11Å; A391-F393 PolarHBondContact O-N 3.44Å; A391-F393 VanDerWaalsContact O-N 3.12Å; F393-C395 PolarHBondContact O-N 3.2Å; F393-L584 HydrophobicContact CE2-CD1 3.87Å; F393-L584 HydrophobicContact CE2-CD2 3.85Å; F393-L584 HydrophobicContact CZ-CD2 3.97Å |
| 394 | D | 92.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | trans | -71.3 | 127.7 | -171.3 | -161.5 | -49.3 | 0 | 0 | 0 | 111.6 | L123 R387 Y390 A391 T396 A397 | L123-D394 HydrophobicContact CD2-CB 3.92Å; R387-D394 IonicContact CZ-OD1 3.63Å; R387-D394 IonicContact CZ-OD2 2.64Å; R387-D394 IonicContact NE-OD1 3.58Å; R387-D394 IonicContact NE-OD2 3.66Å; R387-D394 PolarHBondContact NE-OD2 2.64Å; R387-D394 IonicContact NH2-OD1 2.8Å; R387-D394 PolarHBondContact NH2-OD1 2.9Å; R387-D394 IonicContact NH2-OD2 3.39Å; R387-D394 PolarHBondContact NH2-OD2 2.77Å; Y390-D394 PolarHBondContact O-N 3.44Å; A391-D394 PolarHBondContact O-N 2.94Å; D394-T396 PolarHBondContact O-N 2.89Å; D394-T396 VanDerWaalsContact O-N 3.08Å; D394-T396 VanDerWaalsContact OD1-CB 3.27Å; D394-T396 WeakPolarHBondContact OD1-CB 3.49Å; D394-T396 VanDerWaalsContact OD1-CG2 3.22Å; D394-T396 WeakPolarHBondContact OD1-CG2 3.31Å; D394-T396 PolarHBondContact OD1-N 3.38Å; D394-T396 PolarHBondContact OD1-OG1 2.9Å; D394-A397 VanDerWaalsContact O-CB 3.27Å; D394-A397 WeakPolarHBondContact O-CB 3.06Å; D394-A397 PolarHBondContact O-N 3.23Å | ||
| 395 | C | 87.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -56.6 | -26.4 | 177 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | L122 F393 A397 T398 M399 T417 | L122-C395 PolarHBondContact O-N 2.8Å; F393-C395 PolarHBondContact O-N 3.2Å; C395-A397 PolarHBondContact O-N 3.27Å; C395-T398 CarbonylContact O-C 3.42Å; C395-T398 PolarHBondContact O-N 3.38Å; C395-T398 PolarHBondContact O-OG1 3.43Å; C395-M399 PolarHBondContact O-N 3.13Å; C395-T417 HydrophobicContact CB-CG2 4.17Å |
| 396 | T | 87.1 | Confident | 90.1 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 26% | 0.258 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -66.9 | -14.3 | 177.7 | 64.5 | 0 | 0 | 0 | 0 | 115 | M349 D394 T398 M399 K400 | M349-T396 HydrophobicContact CE-CG2 3.54Å; M349-T396 HydrophobicContact SD-CG2 3.86Å; D394-T396 PolarHBondContact O-N 2.89Å; D394-T396 VanDerWaalsContact O-N 3.08Å; D394-T396 VanDerWaalsContact OD1-CB 3.27Å; D394-T396 WeakPolarHBondContact OD1-CB 3.49Å; D394-T396 VanDerWaalsContact OD1-CG2 3.22Å; D394-T396 WeakPolarHBondContact OD1-CG2 3.31Å; D394-T396 PolarHBondContact OD1-N 3.38Å; D394-T396 PolarHBondContact OD1-OG1 2.9Å; T396-T398 PolarHBondContact O-N 2.89Å; T396-T398 VanDerWaalsContact O-N 3.14Å; T396-M399 VanDerWaalsContact CA-O 3.25Å; T396-M399 WeakPolarHBondContact CA-O 3.47Å; T396-K400 WeakPolarHBondContact O-CD 3.27Å; T396-K400 WeakPolarHBondContact O-CE 3.4Å; T396-K400 PolarHBondContact O-NZ 3.29Å |
| 397 | A | 79.6 | Confident | 89.9 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.7 | -21.3 | 166 | 0 | 0 | 0 | 0 | 0 | 111.8 | V63 D394 C395 | V63-A397 HydrophobicContact CB-CB 3.9Å; V63-A397 HydrophobicContact CG1-CB 3.74Å; V63-A397 HydrophobicContact CG2-CB 3.67Å; D394-A397 VanDerWaalsContact O-CB 3.27Å; D394-A397 WeakPolarHBondContact O-CB 3.06Å; D394-A397 PolarHBondContact O-N 3.23Å; C395-A397 PolarHBondContact O-N 3.27Å |
| 398 | T | 71.9 | Confident | 89.7 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 31% | 0.307 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -23.8 | -171.1 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | V63 C395 T396 H420 F421 | V63-T398 HydrophobicContact CG1-CG2 4.2Å; C395-T398 CarbonylContact O-C 3.42Å; C395-T398 PolarHBondContact O-N 3.38Å; C395-T398 PolarHBondContact O-OG1 3.43Å; T396-T398 PolarHBondContact O-N 2.89Å; T396-T398 VanDerWaalsContact O-N 3.14Å; T398-H420 WeakPolarHBondContact CB-CE1 3.46Å; T398-H420 WeakPolarHBondContact CB-ND1 3.41Å; T398-H420 WeakPolarHBondContact CG2-CE1 3.28Å; T398-H420 WeakPolarHBondContact CG2-ND1 3.49Å; T398-H420 PolarHBondContact OG1-ND1 2.97Å; T398-F421 HydrophobicContact CG2-CE1 4.49Å |
| 399 | M | 79.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | trans | -135.8 | 110 | -179.4 | -179.1 | -179.2 | 68.9 | 0 | 0 | 110.6 | M349 T350 C395 T396 S401 Y416 | M349-M399 HydrophobicContact CB-CE 3.89Å; M349-M399 HydrophobicContact CG-CE 4.48Å; M349-M399 HydrophobicContact SD-CE 4.3Å; T350-M399 HydrophobicContact CG2-CE 3.88Å; C395-M399 PolarHBondContact O-N 3.13Å; T396-M399 VanDerWaalsContact CA-O 3.25Å; T396-M399 WeakPolarHBondContact CA-O 3.47Å; M399-S401 WeakPolarHBondContact CG-O 3.41Å; M399-Y416 HydrophobicContact CE-CE1 4.43Å; M399-Y416 HydrophobicContact SD-CD1 4.16Å; M399-Y416 HydrophobicContact SD-CE1 3.49Å; M399-Y416 WeakPolarHBondContact SD-CE1 3.45Å | ||
| 400 | K | 86.3 | Confident | 89.6 | Confident | 170 Ų | 170 | 41.9 Ų | 41.9 | 74% | 0.739 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -79.8 | -14.7 | -173.6 | -60.4 | -58 | -177.8 | -170.2 | 0 | 115.1 | T396 | T396-K400 WeakPolarHBondContact O-CD 3.27Å; T396-K400 WeakPolarHBondContact O-CE 3.4Å; T396-K400 PolarHBondContact O-NZ 3.29Å |
| 401 | S | 89.9 | Confident | 89.5 | Confident | 77 Ų | 77 | 41.9 Ų | 41.9 | 54% | 0.538 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -157.2 | 172.5 | -177.3 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | M399 | M399-S401 WeakPolarHBondContact CG-O 3.41Š|
| 402 | G | 86.1 | Confident | 89.4 | Confident | 28 Ų | 28 | 41 Ų | 41 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | trans | -57.5 | 163.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | T320 | T320-G402 CarbonylContact O-C 3.55Å; T320-G402 VanDerWaalsContact O-C 3.3Å; T320-G402 WeakPolarHBondContact O-CA 3.15Å | ||
| 403 | N | 88.6 | Confident | 88.9 | Confident | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | trans | -140.7 | 120.8 | -179.3 | -169.4 | -11.5 | 0 | 0 | 0 | 111.7 | T320 D405 V406 K436 | T320-N403 PolarHBondContact O-N 3.49Å; N403-D405 PolarHBondContact ND2-OD1 2.95Å; N403-D405 VanDerWaalsContact ND2-OD1 3.11Å; N403-D405 PolarHBondContact ND2-OD2 3.29Å; N403-D405 PolarHBondContact O-N 3.23Å; N403-D405 PolarHBondContact OD1-N 2.79Å; N403-D405 PolarHBondContact OD1-OD1 3.11Å; N403-D405 PolarHBondContact OD1-OD2 3.37Å; N403-V406 WeakPolarHBondContact O-CG1 3.35Å; N403-K436 PolarHBondContact ND2-NZ 3.28Å; N403-K436 VanDerWaalsContact ND2-NZ 3.2Å | ||
| 404 | A | 92.9 | Very high | 88.4 | Confident | 57 Ų | 57 | 41.4 Ų | 41.4 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V406 Y407 | A404-V406 PolarHBondContact O-N 2.88Å; A404-Y407 HydrophobicContact CB-CD2 4.39Å; A404-Y407 HydrophobicContact CB-CE2 4.45Å; A404-Y407 WeakPolarHBondContact O-CD2 3.18Å; A404-Y407 PolarHBondContact O-N 3.22Å; A404-Y407 VanDerWaalsContact O-N 3.14Å |
| 405 | D | 92.4 | Very high | 88.1 | Confident | 44 Ų | 44 | 41.4 Ų | 41.4 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -9.3 | 174.3 | 69.4 | 15.6 | 0 | 0 | 0 | 113.5 | N403 Y407 E408 N409 K436 | N403-D405 PolarHBondContact ND2-OD1 2.95Å; N403-D405 VanDerWaalsContact ND2-OD1 3.11Å; N403-D405 PolarHBondContact ND2-OD2 3.29Å; N403-D405 PolarHBondContact O-N 3.23Å; N403-D405 PolarHBondContact OD1-N 2.79Å; N403-D405 PolarHBondContact OD1-OD1 3.11Å; N403-D405 PolarHBondContact OD1-OD2 3.37Å; D405-Y407 PolarHBondContact O-N 3.13Å; D405-E408 WeakPolarHBondContact O-CB 3.27Å; D405-E408 PolarHBondContact O-N 2.87Å; D405-N409 PolarHBondContact O-N 3.23Å; D405-N409 PolarHBondContact O-ND2 3.37Å; D405-N409 PolarHBondContact OD1-ND2 2.98Å; D405-K436 IonicContact OD1-NZ 3.4Å; D405-K436 WeakPolarHBondContact OD2-CE 3.16Å; D405-K436 IonicContact OD2-NZ 2.59Å; D405-K436 PolarHBondContact OD2-NZ 3.27Å |
| 406 | V | 94.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -28.5 | 169.6 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | A289 L291 T320 A321 N403 A404 E408 E410 | A289-V406 HydrophobicContact CB-CG2 4.19Å; A289-V406 WeakPolarHBondContact O-CG2 3.5Å; L291-V406 HydrophobicContact CD2-CG2 4.28Å; L291-V406 WeakPolarHBondContact CD2-O 3.43Å; T320-V406 HydrophobicContact CG2-CB 3.95Å; T320-V406 HydrophobicContact CG2-CG1 4.13Å; T320-V406 HydrophobicContact CG2-CG2 4.05Å; A321-V406 HydrophobicContact CB-CG1 3.91Å; N403-V406 WeakPolarHBondContact O-CG1 3.35Å; A404-V406 PolarHBondContact O-N 2.88Å; V406-E408 PolarHBondContact O-N 3.18Å; V406-E410 WeakPolarHBondContact O-CA 3.34Å; V406-E410 PolarHBondContact O-N 2.89Å |
| 407 | Y | 95.2 | Very high | 87.8 | Confident | 76 Ų | 76 | 40.1 Ų | 40.1 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.9 | -17.5 | 173.6 | -61.7 | -58.3 | 0 | 0 | 0 | 113.2 | L291 K293 A321 A404 D405 | L291-Y407 HydrophobicContact CD2-CD1 4.19Å; K293-Y407 HydrophobicContact CG-CE1 4.05Å; A321-Y407 HydrophobicContact CB-CD2 4.39Å; A321-Y407 HydrophobicContact CB-CE1 4.46Å; A321-Y407 HydrophobicContact CB-CE2 3.5Å; A321-Y407 WeakPolarHBondContact CB-OH 3.41Å; A404-Y407 HydrophobicContact CB-CD2 4.39Å; A404-Y407 HydrophobicContact CB-CE2 4.45Å; A404-Y407 WeakPolarHBondContact O-CD2 3.18Å; A404-Y407 PolarHBondContact O-N 3.22Å; A404-Y407 VanDerWaalsContact O-N 3.14Å; D405-Y407 PolarHBondContact O-N 3.13Å |
| 408 | E | 93.3 | Very high | 87.9 | Confident | 162 Ų | 162 | 40.7 Ų | 40.7 | 76% | 0.757 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -96.8 | -45.3 | 174 | -60.5 | -175.8 | 176.4 | 0 | 0 | 112.1 | D405 V406 | D405-E408 WeakPolarHBondContact O-CB 3.27Å; D405-E408 PolarHBondContact O-N 2.87Å; V406-E408 PolarHBondContact O-N 3.18Å |
| 409 | N | 93.8 | Very high | 88.5 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -91.8 | -23.5 | -172.9 | 65.6 | 64.8 | 0 | 0 | 0 | 114.1 | D405 I411 Y439 | D405-N409 PolarHBondContact O-N 3.23Å; D405-N409 PolarHBondContact O-ND2 3.37Å; D405-N409 PolarHBondContact OD1-ND2 2.98Å; N409-I411 HydrophobicContact CB-CD1 4.09Å; N409-I411 HydrophobicContact CB-CG1 4.12Å; N409-I411 PolarHBondContact O-N 3.43Å; N409-I411 VanDerWaalsContact O-N 3.16Å; N409-I411 VanDerWaalsContact OD1-CB 3.31Å; N409-I411 WeakPolarHBondContact OD1-CB 3.42Å; N409-I411 WeakPolarHBondContact OD1-CD1 3.38Å; N409-I411 WeakPolarHBondContact OD1-CG1 3.42Å; N409-I411 PolarHBondContact OD1-N 3.5Å; N409-Y439 WeakPolarHBondContact O-CD1 3.34Å; N409-Y439 WeakPolarHBondContact O-CE1 3.37Å |
| 410 | E | 95.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | trans | 51.8 | 36.3 | 178.6 | -55.7 | 179.8 | 146 | 0 | 0 | 113.1 | G253 R260 L291 V406 P412 K451 | G253-E410 PolarHBondContact N-OE1 3.45Å; R260-E410 IonicContact CZ-OE1 3.11Å; R260-E410 VanDerWaalsContact CZ-OE1 3.27Å; R260-E410 IonicContact NH1-OE1 3.2Å; R260-E410 PolarHBondContact NH1-OE1 2.73Å; R260-E410 IonicContact NH2-OE1 3.81Å; R260-E410 PolarHBondContact NH2-OE1 2.97Å; R260-E410 IonicContact NH2-OE2 3.32Å; L291-E410 HydrophobicContact CD1-CB 4.09Å; L291-E410 HydrophobicContact CD1-CG 3.8Å; L291-E410 HydrophobicContact CD2-CB 4.4Å; L291-E410 HydrophobicContact CD2-CG 3.99Å; V406-E410 WeakPolarHBondContact O-CA 3.34Å; V406-E410 PolarHBondContact O-N 2.89Å; E410-P412 WeakPolarHBondContact O-CD 3.41Å; E410-K451 WeakPolarHBondContact O-CE 3.22Å; E410-K451 WeakPolarHBondContact OE2-CE 3.38Å; E410-K451 IonicContact OE2-NZ 2.62Å; E410-K451 PolarHBondContact OE2-NZ 2.76Å | ||
| 411 | I | 94.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -77.9 | 121.3 | 175.1 | -62.6 | 166.4 | 0 | 0 | 0 | 108.9 | N409 Q415 Y416 L419 K436 Y439 | N409-I411 HydrophobicContact CB-CD1 4.09Å; N409-I411 HydrophobicContact CB-CG1 4.12Å; N409-I411 PolarHBondContact O-N 3.43Å; N409-I411 VanDerWaalsContact O-N 3.16Å; N409-I411 VanDerWaalsContact OD1-CB 3.31Å; N409-I411 WeakPolarHBondContact OD1-CB 3.42Å; N409-I411 WeakPolarHBondContact OD1-CD1 3.38Å; N409-I411 WeakPolarHBondContact OD1-CG1 3.42Å; N409-I411 PolarHBondContact OD1-N 3.5Å; I411-Q415 HydrophobicContact CG2-CB 4.17Å; I411-Q415 HydrophobicContact CG2-CG 4.06Å; I411-Y416 HydrophobicContact CB-CD2 4.36Å; I411-Y416 HydrophobicContact CG2-CD2 4.11Å; I411-Y416 HydrophobicContact CG2-CG 4.46Å; I411-L419 HydrophobicContact CD1-CD2 4.1Å; I411-K436 HydrophobicContact CD1-CB 4.4Å; I411-K436 HydrophobicContact CD1-CD 4.42Å; I411-K436 HydrophobicContact CD1-CG 3.86Å; I411-Y439 HydrophobicContact CB-CE1 4.29Å; I411-Y439 HydrophobicContact CD1-CD1 4.13Å; I411-Y439 HydrophobicContact CD1-CD2 4.28Å; I411-Y439 HydrophobicContact CD1-CG 3.96Å; I411-Y439 HydrophobicContact CG1-CD1 3.39Å; I411-Y439 HydrophobicContact CG1-CD2 3.98Å; I411-Y439 HydrophobicContact CG1-CE1 3.42Å; I411-Y439 VanDerWaalsContact CG1-CE1 3.42Å; I411-Y439 HydrophobicContact CG1-CE2 4.06Å; I411-Y439 HydrophobicContact CG1-CG 3.66Å | ||
| 412 | P | 92.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | trans | -64.1 | 157.9 | 177.1 | -24.4 | 35.6 | 0 | 0 | 0 | 113.8 | M288 E410 G414 Q415 Y416 K451 | M288-P412 HydrophobicContact CB-CB 4.32Å; M288-P412 HydrophobicContact CG-CB 4.13Å; M288-P412 HydrophobicContact CG-CG 3.97Å; M288-P412 WeakPolarHBondContact O-CA 3.48Å; M288-P412 WeakPolarHBondContact O-CB 3.4Å; E410-P412 WeakPolarHBondContact O-CD 3.41Å; P412-G414 PolarHBondContact O-N 3.24Å; P412-Q415 HydrophobicContact CB-CB 4.32Å; P412-Q415 PolarHBondContact O-N 3.2Å; P412-Q415 VanDerWaalsContact O-N 3.11Å; P412-Y416 PolarHBondContact O-N 3.47Å; P412-K451 HydrophobicContact CG-CB 4.5Å; P412-K451 WeakPolarHBondContact CG-O 3.27Å | ||
| 413 | G | 82.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -49.9 | -63.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M288 Q415 Y416 | M288-G413 PolarHBondContact O-N 2.6Å; G413-Q415 VanDerWaalsContact C-N 3.27Å; G413-Q415 PolarHBondContact O-N 2.83Å; G413-Y416 WeakPolarHBondContact O-CB 3.5Å; G413-Y416 PolarHBondContact O-N 3.11Å; G413-Y416 VanDerWaalsContact O-N 3.13Å |
| 414 | G | 80.4 | Confident | 86.9 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -32 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P412 N418 | P412-G414 PolarHBondContact O-N 3.24Å; G414-N418 WeakPolarHBondContact O-CB 3.42Å; G414-N418 PolarHBondContact O-N 2.85Å; G414-N418 PolarHBondContact O-ND2 3.29Å; G414-N418 VanDerWaalsContact O-ND2 3.11Å |
| 415 | Q | 86.7 | Confident | 86.1 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.2 | -33.8 | 177 | -179.7 | 61.1 | 10.2 | 0 | 0 | 111.6 | I411 P412 G413 N418 L419 Y439 S456 | I411-Q415 HydrophobicContact CG2-CB 4.17Å; I411-Q415 HydrophobicContact CG2-CG 4.06Å; P412-Q415 HydrophobicContact CB-CB 4.32Å; P412-Q415 PolarHBondContact O-N 3.2Å; P412-Q415 VanDerWaalsContact O-N 3.11Å; G413-Q415 VanDerWaalsContact C-N 3.27Å; G413-Q415 PolarHBondContact O-N 2.83Å; Q415-N418 PolarHBondContact O-N 3.1Å; Q415-L419 WeakPolarHBondContact O-CB 3.3Å; Q415-L419 PolarHBondContact O-N 3.36Å; Q415-Y439 HydrophobicContact CG-CE2 4.5Å; Q415-S456 PolarHBondContact NE2-O 3.43Å |
| 416 | Y | 85.6 | Confident | 85.3 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -51.8 | 178.5 | -168.6 | -82.7 | 0 | 0 | 0 | 111.2 | T350 M399 I411 P412 G413 N418 L419 H420 F432 K436 | T350-Y416 HydrophobicContact CG2-CD1 4.34Å; T350-Y416 HydrophobicContact CG2-CG 4.28Å; M399-Y416 HydrophobicContact CE-CE1 4.43Å; M399-Y416 HydrophobicContact SD-CD1 4.16Å; M399-Y416 HydrophobicContact SD-CE1 3.49Å; M399-Y416 WeakPolarHBondContact SD-CE1 3.45Å; I411-Y416 HydrophobicContact CB-CD2 4.36Å; I411-Y416 HydrophobicContact CG2-CD2 4.11Å; I411-Y416 HydrophobicContact CG2-CG 4.46Å; P412-Y416 PolarHBondContact O-N 3.47Å; G413-Y416 WeakPolarHBondContact O-CB 3.5Å; G413-Y416 PolarHBondContact O-N 3.11Å; G413-Y416 VanDerWaalsContact O-N 3.13Å; Y416-N418 PolarHBondContact O-N 3.49Å; Y416-L419 PolarHBondContact O-N 3.2Å; Y416-H420 VanDerWaalsContact O-CB 3.29Å; Y416-H420 WeakPolarHBondContact O-CB 3.21Å; Y416-H420 PolarHBondContact O-N 3.42Å; Y416-F432 HydrophobicContact CE1-CE1 4.03Å; Y416-F432 HydrophobicContact CE1-CZ 4.35Å; Y416-F432 AromaticContact CE2-CE1 3.99Å; Y416-F432 HydrophobicContact CE2-CE1 3.99Å; Y416-F432 HydrophobicContact CE2-CZ 4.33Å; Y416-F432 AromaticContact CZ-CE1 3.62Å; Y416-K436 HydrophobicContact CE2-CD 3.91Å |
| 417 | T | 82.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | S121 C395 H420 F421 | S121-T417 PolarHBondContact O-OG1 3.04Å; C395-T417 HydrophobicContact CB-CG2 4.17Å; T417-H420 PolarHBondContact O-N 3.27Å; T417-F421 HydrophobicContact CG2-CD2 4.04Å; T417-F421 HydrophobicContact CG2-CE1 4.48Å; T417-F421 HydrophobicContact CG2-CE2 3.44Å; T417-F421 VanDerWaalsContact CG2-CE2 3.44Å; T417-F421 HydrophobicContact CG2-CZ 3.7Å; T417-F421 WeakPolarHBondContact O-CG 3.5Å; T417-F421 PolarHBondContact O-N 3.29Å |
| 418 | N | 82.1 | Confident | 83.7 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 178.3 | -74.7 | -30.6 | 0 | 0 | 0 | 113.1 | G414 Q415 Y416 H420 F421 Q422 | G414-N418 WeakPolarHBondContact O-CB 3.42Å; G414-N418 PolarHBondContact O-N 2.85Å; G414-N418 PolarHBondContact O-ND2 3.29Å; G414-N418 VanDerWaalsContact O-ND2 3.11Å; Q415-N418 PolarHBondContact O-N 3.1Å; Y416-N418 PolarHBondContact O-N 3.49Å; N418-H420 PolarHBondContact O-N 3.3Å; N418-F421 PolarHBondContact O-N 3.29Å; N418-Q422 WeakPolarHBondContact O-CB 3.36Å; N418-Q422 VanDerWaalsContact O-CG 3.26Å; N418-Q422 WeakPolarHBondContact O-CG 3.34Å; N418-Q422 PolarHBondContact O-N 3.2Å |
| 419 | L | 83.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -37.8 | 179.3 | -171.3 | 75.6 | 0 | 0 | 0 | 110.7 | I411 Q415 Y416 A423 F432 V435 Y439 Q464 | I411-L419 HydrophobicContact CD1-CD2 4.1Å; Q415-L419 WeakPolarHBondContact O-CB 3.3Å; Q415-L419 PolarHBondContact O-N 3.36Å; Y416-L419 PolarHBondContact O-N 3.2Å; L419-A423 VanDerWaalsContact O-CB 3.29Å; L419-A423 WeakPolarHBondContact O-CB 3.43Å; L419-A423 PolarHBondContact O-N 3.11Å; L419-F432 HydrophobicContact CD2-CE2 4.26Å; L419-F432 HydrophobicContact CG-CE2 4.24Å; L419-V435 HydrophobicContact CD1-CG1 4.38Å; L419-V435 HydrophobicContact CD2-CG1 3.77Å; L419-V435 HydrophobicContact CG-CG1 4.06Å; L419-Y439 HydrophobicContact CD2-CD2 4.14Å; L419-Q464 HydrophobicContact CD1-CG 4.14Å |
| 420 | H | 80.7 | Confident | 82.3 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.069 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -48.3 | 175.9 | -171.4 | -84.1 | 0 | 0 | 0 | 111.8 | T398 Y416 T417 N418 Q422 A423 H424 F432 | T398-H420 WeakPolarHBondContact CB-CE1 3.46Å; T398-H420 WeakPolarHBondContact CB-ND1 3.41Å; T398-H420 WeakPolarHBondContact CG2-CE1 3.28Å; T398-H420 WeakPolarHBondContact CG2-ND1 3.49Å; T398-H420 PolarHBondContact OG1-ND1 2.97Å; Y416-H420 VanDerWaalsContact O-CB 3.29Å; Y416-H420 WeakPolarHBondContact O-CB 3.21Å; Y416-H420 PolarHBondContact O-N 3.42Å; T417-H420 PolarHBondContact O-N 3.27Å; N418-H420 PolarHBondContact O-N 3.3Å; H420-Q422 VanDerWaalsContact C-N 3.34Å; H420-Q422 PolarHBondContact O-N 3.44Å; H420-A423 PolarHBondContact O-N 3.02Å; H420-H424 AromaticContact CE1-CD2 2.99Å; H420-H424 PolarHBondContact CE1-CD2 3.3Å; H420-H424 AromaticContact CE1-NE2 2.93Å; H420-H424 PolarHBondContact CE1-NE2 3.19Å; H420-H424 AromaticContact ND1-CD2 3.49Å; H420-H424 PolarHBondContact ND1-CD2 3.48Å; H420-H424 AromaticContact ND1-NE2 3.88Å; H420-H424 AromaticContact NE2-CD2 3.52Å; H420-H424 AromaticContact NE2-NE2 3.21Å; H420-H424 PolarHBondContact NE2-NE2 2.95Å; H420-H424 PolarHBondContact O-CD2 2.9Å; H420-H424 PolarHBondContact O-N 3.06Å; H420-F432 VanDerWaalsContact CA-CE2 3.49Å; H420-F432 HydrophobicContact CB-CD2 4.41Å; H420-F432 HydrophobicContact CB-CE2 3.78Å; H420-F432 HydrophobicContact CB-CZ 3.82Å; H420-F432 AromaticContact CD2-CD1 3.68Å; H420-F432 AromaticContact CD2-CD2 3.74Å; H420-F432 AromaticContact CD2-CE1 3.78Å; H420-F432 AromaticContact CD2-CE2 3.85Å; H420-F432 AromaticContact CD2-CG 3.65Å; H420-F432 AromaticContact CD2-CZ 3.87Å |
| 421 | F | 79.5 | Confident | 81.7 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.4 | -65.8 | -21.5 | 0 | 0 | 0 | 112.6 | P62 V63 A124 T398 T417 N418 H424 S425 | P62-F421 HydrophobicContact CB-CB 4.15Å; P62-F421 HydrophobicContact CB-CD1 3.69Å; P62-F421 HydrophobicContact CB-CD2 3.74Å; P62-F421 HydrophobicContact CB-CE1 3.94Å; P62-F421 HydrophobicContact CB-CE2 3.97Å; P62-F421 HydrophobicContact CB-CG 3.6Å; P62-F421 HydrophobicContact CB-CZ 4.07Å; P62-F421 HydrophobicContact CG-CD1 4.28Å; P62-F421 HydrophobicContact CG-CD2 3.86Å; P62-F421 HydrophobicContact CG-CE1 4.06Å; P62-F421 HydrophobicContact CG-CE2 3.6Å; P62-F421 HydrophobicContact CG-CG 4.2Å; P62-F421 HydrophobicContact CG-CZ 3.72Å; V63-F421 HydrophobicContact CG1-CE1 3.99Å; A124-F421 HydrophobicContact CB-CE2 4.04Å; T398-F421 HydrophobicContact CG2-CE1 4.49Å; T417-F421 HydrophobicContact CG2-CD2 4.04Å; T417-F421 HydrophobicContact CG2-CE1 4.48Å; T417-F421 HydrophobicContact CG2-CE2 3.44Å; T417-F421 VanDerWaalsContact CG2-CE2 3.44Å; T417-F421 HydrophobicContact CG2-CZ 3.7Å; T417-F421 WeakPolarHBondContact O-CG 3.5Å; T417-F421 PolarHBondContact O-N 3.29Å; N418-F421 PolarHBondContact O-N 3.29Å; F421-H424 PolarHBondContact O-N 3.29Å; F421-S425 PolarHBondContact O-N 3.36Å |
| 422 | Q | 80.1 | Confident | 81.2 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 173.4 | -72.3 | 169.2 | 8.2 | 0 | 0 | 111.3 | N418 H420 H424 S425 M426 | N418-Q422 WeakPolarHBondContact O-CB 3.36Å; N418-Q422 VanDerWaalsContact O-CG 3.26Å; N418-Q422 WeakPolarHBondContact O-CG 3.34Å; N418-Q422 PolarHBondContact O-N 3.2Å; H420-Q422 VanDerWaalsContact C-N 3.34Å; H420-Q422 PolarHBondContact O-N 3.44Å; Q422-H424 VanDerWaalsContact C-N 3.3Å; Q422-H424 PolarHBondContact O-N 3.44Å; Q422-S425 PolarHBondContact O-N 3.5Å; Q422-S425 VanDerWaalsContact O-N 3.1Å; Q422-S425 PolarHBondContact O-OG 2.84Å; Q422-M426 WeakPolarHBondContact O-CG 3.48Å; Q422-M426 PolarHBondContact O-N 2.95Å |
| 423 | A | 79.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.4 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L419 H420 M426 G427 L428 G429 F432 | L419-A423 VanDerWaalsContact O-CB 3.29Å; L419-A423 WeakPolarHBondContact O-CB 3.43Å; L419-A423 PolarHBondContact O-N 3.11Å; H420-A423 PolarHBondContact O-N 3.02Å; A423-M426 PolarHBondContact O-N 3.48Å; A423-G427 PolarHBondContact O-N 2.86Å; A423-L428 HydrophobicContact CB-CB 4.22Å; A423-L428 CarbonylContact O-C 3.16Å; A423-L428 WeakPolarHBondContact O-CA 3.37Å; A423-L428 WeakPolarHBondContact O-CB 3.16Å; A423-L428 PolarHBondContact O-N 3.32Å; A423-G429 PolarHBondContact O-N 2.6Å; A423-F432 HydrophobicContact CB-CD2 4.09Å |
| 424 | H | 77.3 | Confident | 81.5 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.3 | -87.3 | -90.1 | 0 | 0 | 0 | 112.7 | H420 F421 Q422 M426 G427 G429 | H420-H424 AromaticContact CE1-CD2 2.99Å; H420-H424 PolarHBondContact CE1-CD2 3.3Å; H420-H424 AromaticContact CE1-NE2 2.93Å; H420-H424 PolarHBondContact CE1-NE2 3.19Å; H420-H424 AromaticContact ND1-CD2 3.49Å; H420-H424 PolarHBondContact ND1-CD2 3.48Å; H420-H424 AromaticContact ND1-NE2 3.88Å; H420-H424 AromaticContact NE2-CD2 3.52Å; H420-H424 AromaticContact NE2-NE2 3.21Å; H420-H424 PolarHBondContact NE2-NE2 2.95Å; H420-H424 PolarHBondContact O-CD2 2.9Å; H420-H424 PolarHBondContact O-N 3.06Å; F421-H424 PolarHBondContact O-N 3.29Å; Q422-H424 VanDerWaalsContact C-N 3.3Å; Q422-H424 PolarHBondContact O-N 3.44Å; H424-M426 PolarHBondContact O-N 2.94Å; H424-G427 PolarHBondContact O-N 2.91Å; H424-G429 WeakPolarHBondContact NE2-CA 3.4Å |
| 425 | S | 75.7 | Confident | 82 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 70% | 0.699 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.3 | -27.2 | 178.3 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | F421 Q422 | F421-S425 PolarHBondContact O-N 3.36Å; Q422-S425 PolarHBondContact O-N 3.5Å; Q422-S425 VanDerWaalsContact O-N 3.1Å; Q422-S425 PolarHBondContact O-OG 2.84Å |
| 426 | M | 76.3 | Confident | 82.3 | Confident | 93 Ų | 93 | 49.7 Ų | 49.7 | 46% | 0.458 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 5.4 | 178.4 | -60.6 | 179.1 | 100.2 | 0 | 0 | 113.5 | Q422 A423 H424 L428 Q464 Q468 | Q422-M426 WeakPolarHBondContact O-CG 3.48Å; Q422-M426 PolarHBondContact O-N 2.95Å; A423-M426 PolarHBondContact O-N 3.48Å; H424-M426 PolarHBondContact O-N 2.94Å; M426-L428 VanDerWaalsContact C-N 3.28Å; M426-L428 HydrophobicContact CB-CD1 4.48Å; M426-L428 HydrophobicContact CB-CG 4.43Å; M426-L428 PolarHBondContact O-N 3.11Å; M426-Q464 PolarHBondContact SD-OE1 3.26Å; M426-Q464 VanDerWaalsContact SD-OE1 3.37Å; M426-Q468 PolarHBondContact SD-NE2 3.38Å |
| 427 | G | 79.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 13.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A423 H424 | A423-G427 PolarHBondContact O-N 2.86Å; H424-G427 PolarHBondContact O-N 2.91Å |
| 428 | L | 77.5 | Confident | 83.4 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | trans | -98 | 10.1 | 178.1 | -61.4 | 176.2 | 0 | 0 | 0 | 113.4 | A423 M426 N430 K431 F432 V467 Q468 | A423-L428 HydrophobicContact CB-CB 4.22Å; A423-L428 CarbonylContact O-C 3.16Å; A423-L428 WeakPolarHBondContact O-CA 3.37Å; A423-L428 WeakPolarHBondContact O-CB 3.16Å; A423-L428 PolarHBondContact O-N 3.32Å; M426-L428 VanDerWaalsContact C-N 3.28Å; M426-L428 HydrophobicContact CB-CD1 4.48Å; M426-L428 HydrophobicContact CB-CG 4.43Å; M426-L428 PolarHBondContact O-N 3.11Å; L428-N430 VanDerWaalsContact C-N 3.25Å; L428-N430 PolarHBondContact O-N 3.42Å; L428-K431 HydrophobicContact CD2-CD 4.09Å; L428-K431 CarbonylContact O-C 3.57Å; L428-K431 WeakPolarHBondContact O-CA 3.28Å; L428-K431 WeakPolarHBondContact O-CB 3.5Å; L428-K431 PolarHBondContact O-N 3.44Å; L428-F432 PolarHBondContact O-N 2.88Å; L428-V467 HydrophobicContact CD1-CG1 4.41Å; L428-V467 HydrophobicContact CD2-CG1 4.29Å; L428-Q468 HydrophobicContact CD1-CG 3.69Å | ||
| 429 | G | 75.8 | Confident | 84.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -56.8 | -36.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A423 H424 K431 | A423-G429 PolarHBondContact O-N 2.6Å; H424-G429 WeakPolarHBondContact NE2-CA 3.4Å; G429-K431 VanDerWaalsContact C-N 3.26Å; G429-K431 PolarHBondContact O-N 3.3Å |
| 430 | N | 81.5 | Confident | 84.8 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 76% | 0.759 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -73 | -15.6 | 175.1 | 63.3 | -23.6 | 0 | 0 | 0 | 113.8 | L428 | L428-N430 VanDerWaalsContact C-N 3.25Å; L428-N430 PolarHBondContact O-N 3.42Å |
| 431 | K | 82.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 56 Ų | 56 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -102.4 | 14.6 | 179.8 | -68.6 | -174.1 | 164.9 | -153.7 | 0 | 113 | L428 G429 K433 E434 V435 V467 | L428-K431 HydrophobicContact CD2-CD 4.09Å; L428-K431 CarbonylContact O-C 3.57Å; L428-K431 WeakPolarHBondContact O-CA 3.28Å; L428-K431 WeakPolarHBondContact O-CB 3.5Å; L428-K431 PolarHBondContact O-N 3.44Å; G429-K431 VanDerWaalsContact C-N 3.26Å; G429-K431 PolarHBondContact O-N 3.3Å; K431-K433 PolarHBondContact O-N 2.81Å; K431-K433 VanDerWaalsContact O-N 3.1Å; K431-E434 HydrophobicContact CB-CB 4.42Å; K431-E434 WeakPolarHBondContact CD-OE2 3.43Å; K431-E434 IonicContact NZ-OE2 3.52Å; K431-E434 WeakPolarHBondContact O-CA 3.2Å; K431-E434 VanDerWaalsContact O-CB 3.31Å; K431-E434 WeakPolarHBondContact O-CB 3.3Å; K431-E434 PolarHBondContact O-N 3.16Å; K431-V435 PolarHBondContact O-N 3.4Å; K431-V467 HydrophobicContact CD-CG1 4.3Å |
| 432 | F | 85.4 | Confident | 86.4 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -30.7 | -175.1 | -167 | -111.2 | 0 | 0 | 0 | 113.7 | Y416 L419 H420 A423 L428 E434 V435 K436 | Y416-F432 HydrophobicContact CE1-CE1 4.03Å; Y416-F432 HydrophobicContact CE1-CZ 4.35Å; Y416-F432 AromaticContact CE2-CE1 3.99Å; Y416-F432 HydrophobicContact CE2-CE1 3.99Å; Y416-F432 HydrophobicContact CE2-CZ 4.33Å; Y416-F432 AromaticContact CZ-CE1 3.62Å; L419-F432 HydrophobicContact CD2-CE2 4.26Å; L419-F432 HydrophobicContact CG-CE2 4.24Å; H420-F432 VanDerWaalsContact CA-CE2 3.49Å; H420-F432 HydrophobicContact CB-CD2 4.41Å; H420-F432 HydrophobicContact CB-CE2 3.78Å; H420-F432 HydrophobicContact CB-CZ 3.82Å; H420-F432 AromaticContact CD2-CD1 3.68Å; H420-F432 AromaticContact CD2-CD2 3.74Å; H420-F432 AromaticContact CD2-CE1 3.78Å; H420-F432 AromaticContact CD2-CE2 3.85Å; H420-F432 AromaticContact CD2-CG 3.65Å; H420-F432 AromaticContact CD2-CZ 3.87Å; A423-F432 HydrophobicContact CB-CD2 4.09Å; L428-F432 PolarHBondContact O-N 2.88Å; F432-E434 VanDerWaalsContact C-N 3.33Å; F432-E434 PolarHBondContact O-N 2.66Å; F432-V435 HydrophobicContact CD2-CB 4.34Å; F432-V435 WeakPolarHBondContact O-CB 3.49Å; F432-V435 PolarHBondContact O-N 2.95Å; F432-K436 HydrophobicContact CD1-CD 4.23Å; F432-K436 HydrophobicContact CD1-CG 4.29Å; F432-K436 HydrophobicContact CE1-CD 3.82Å; F432-K436 HydrophobicContact CE1-CG 3.96Å; F432-K436 HydrophobicContact CZ-CG 4.3Å; F432-K436 WeakPolarHBondContact O-CG 3.33Å; F432-K436 PolarHBondContact O-N 3.43Å |
| 433 | K | 88.5 | Confident | 87.2 | Confident | 153 Ų | 153 | 52.3 Ų | 52.3 | 67% | 0.665 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 171.3 | -175 | 176.2 | -179.2 | 175.6 | 0 | 112.7 | K431 K436 K437 | K431-K433 PolarHBondContact O-N 2.81Å; K431-K433 VanDerWaalsContact O-N 3.1Å; K433-K436 PolarHBondContact O-N 2.88Å; K433-K437 PolarHBondContact O-N 3.47Å |
| 434 | E | 91.1 | Very high | 88 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 174.6 | -63.3 | 167 | -150.8 | 0 | 0 | 110.3 | K431 F432 K436 K437 A438 V467 | K431-E434 HydrophobicContact CB-CB 4.42Å; K431-E434 WeakPolarHBondContact CD-OE2 3.43Å; K431-E434 IonicContact NZ-OE2 3.52Å; K431-E434 WeakPolarHBondContact O-CA 3.2Å; K431-E434 VanDerWaalsContact O-CB 3.31Å; K431-E434 WeakPolarHBondContact O-CB 3.3Å; K431-E434 PolarHBondContact O-N 3.16Å; F432-E434 VanDerWaalsContact C-N 3.33Å; F432-E434 PolarHBondContact O-N 2.66Å; E434-K436 PolarHBondContact O-N 2.95Å; E434-K437 PolarHBondContact O-N 3.33Å; E434-A438 WeakPolarHBondContact O-CB 3.35Å; E434-A438 PolarHBondContact O-N 3.49Å; E434-V467 HydrophobicContact CB-CG1 4.49Å; E434-V467 HydrophobicContact CB-CG2 4.29Å |
| 435 | V | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L419 K431 F432 K437 A438 Y439 V467 | L419-V435 HydrophobicContact CD1-CG1 4.38Å; L419-V435 HydrophobicContact CD2-CG1 3.77Å; L419-V435 HydrophobicContact CG-CG1 4.06Å; K431-V435 PolarHBondContact O-N 3.4Å; F432-V435 HydrophobicContact CD2-CB 4.34Å; F432-V435 WeakPolarHBondContact O-CB 3.49Å; F432-V435 PolarHBondContact O-N 2.95Å; V435-K437 PolarHBondContact O-N 3.14Å; V435-A438 PolarHBondContact O-N 3.42Å; V435-Y439 WeakPolarHBondContact O-CB 3.39Å; V435-Y439 PolarHBondContact O-N 3.37Å; V435-V467 HydrophobicContact CG2-CB 4.43Å; V435-V467 HydrophobicContact CG2-CG1 4.28Å; V435-V467 HydrophobicContact CG2-CG2 4.15Å |
| 436 | K | 93.1 | Very high | 89.9 | Confident | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.7 | -69.1 | -167.7 | -68.1 | -175.6 | 0 | 113.1 | N403 D405 I411 Y416 F432 K433 E434 Y439 A440 | N403-K436 PolarHBondContact ND2-NZ 3.28Å; N403-K436 VanDerWaalsContact ND2-NZ 3.2Å; D405-K436 IonicContact OD1-NZ 3.4Å; D405-K436 WeakPolarHBondContact OD2-CE 3.16Å; D405-K436 IonicContact OD2-NZ 2.59Å; D405-K436 PolarHBondContact OD2-NZ 3.27Å; I411-K436 HydrophobicContact CD1-CB 4.4Å; I411-K436 HydrophobicContact CD1-CD 4.42Å; I411-K436 HydrophobicContact CD1-CG 3.86Å; Y416-K436 HydrophobicContact CE2-CD 3.91Å; F432-K436 HydrophobicContact CD1-CD 4.23Å; F432-K436 HydrophobicContact CD1-CG 4.29Å; F432-K436 HydrophobicContact CE1-CD 3.82Å; F432-K436 HydrophobicContact CE1-CG 3.96Å; F432-K436 HydrophobicContact CZ-CG 4.3Å; F432-K436 WeakPolarHBondContact O-CG 3.33Å; F432-K436 PolarHBondContact O-N 3.43Å; K433-K436 PolarHBondContact O-N 2.88Å; E434-K436 PolarHBondContact O-N 2.95Å; K436-Y439 WeakPolarHBondContact O-CB 3.29Å; K436-Y439 PolarHBondContact O-N 3.09Å; K436-A440 PolarHBondContact O-N 2.94Å |
| 437 | K | 94.8 | Very high | 90.9 | Very high | 137 Ų | 137 | 44.9 Ų | 44.9 | 60% | 0.596 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.4 | -46.1 | 174 | -72.1 | -177.9 | 173.9 | -168.5 | 0 | 111.5 | K433 E434 V435 Y439 A440 E441 | K433-K437 PolarHBondContact O-N 3.47Å; E434-K437 PolarHBondContact O-N 3.33Å; V435-K437 PolarHBondContact O-N 3.14Å; K437-Y439 PolarHBondContact O-N 3.33Å; K437-A440 PolarHBondContact O-N 2.72Å; K437-E441 PolarHBondContact O-N 3.49Å; K437-E441 VanDerWaalsContact O-N 3.13Å |
| 438 | A | 96.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -30.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E434 V435 E441 A442 A463 M466 V467 | E434-A438 WeakPolarHBondContact O-CB 3.35Å; E434-A438 PolarHBondContact O-N 3.49Å; V435-A438 PolarHBondContact O-N 3.42Å; A438-E441 PolarHBondContact O-N 3.08Å; A438-A442 WeakPolarHBondContact O-CB 3.45Å; A438-A442 PolarHBondContact O-N 3.02Å; A438-A463 HydrophobicContact CB-CB 4.05Å; A438-M466 HydrophobicContact CB-CB 4.43Å; A438-V467 HydrophobicContact CB-CG2 3.63Å |
| 439 | Y | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 175.1 | -167.9 | -81.5 | 0 | 0 | 0 | 112.3 | N409 I411 Q415 L419 V435 K436 K437 E441 A442 N443 K451 S456 V459 A463 | N409-Y439 WeakPolarHBondContact O-CD1 3.34Å; N409-Y439 WeakPolarHBondContact O-CE1 3.37Å; I411-Y439 HydrophobicContact CB-CE1 4.29Å; I411-Y439 HydrophobicContact CD1-CD1 4.13Å; I411-Y439 HydrophobicContact CD1-CD2 4.28Å; I411-Y439 HydrophobicContact CD1-CG 3.96Å; I411-Y439 HydrophobicContact CG1-CD1 3.39Å; I411-Y439 HydrophobicContact CG1-CD2 3.98Å; I411-Y439 HydrophobicContact CG1-CE1 3.42Å; I411-Y439 VanDerWaalsContact CG1-CE1 3.42Å; I411-Y439 HydrophobicContact CG1-CE2 4.06Å; I411-Y439 HydrophobicContact CG1-CG 3.66Å; Q415-Y439 HydrophobicContact CG-CE2 4.5Å; L419-Y439 HydrophobicContact CD2-CD2 4.14Å; V435-Y439 WeakPolarHBondContact O-CB 3.39Å; V435-Y439 PolarHBondContact O-N 3.37Å; K436-Y439 WeakPolarHBondContact O-CB 3.29Å; K436-Y439 PolarHBondContact O-N 3.09Å; K437-Y439 PolarHBondContact O-N 3.33Å; Y439-E441 VanDerWaalsContact C-N 3.33Å; Y439-E441 PolarHBondContact O-N 3.21Å; Y439-A442 PolarHBondContact O-N 3.28Å; Y439-N443 PolarHBondContact O-N 3.44Å; Y439-K451 HydrophobicContact CE1-CD 3.65Å; Y439-S456 WeakPolarHBondContact CE2-O 3.26Å; Y439-S456 WeakPolarHBondContact OH-CA 3.37Å; Y439-S456 PolarHBondContact OH-O 3.36Å; Y439-V459 HydrophobicContact CD1-CG1 3.76Å; Y439-V459 HydrophobicContact CD2-CB 4.4Å; Y439-V459 HydrophobicContact CD2-CG1 3.79Å; Y439-V459 HydrophobicContact CE1-CB 4.37Å; Y439-V459 HydrophobicContact CE1-CG1 3.72Å; Y439-V459 HydrophobicContact CE2-CB 3.87Å; Y439-V459 HydrophobicContact CE2-CG1 3.69Å; Y439-V459 HydrophobicContact CG-CG1 3.82Å; Y439-V459 WeakPolarHBondContact O-CG1 3.33Å; Y439-A463 HydrophobicContact CD2-CB 4.3Å |
| 440 | A | 96.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K436 K437 N443 K444 | K436-A440 PolarHBondContact O-N 2.94Å; K437-A440 PolarHBondContact O-N 2.72Å; A440-N443 WeakPolarHBondContact O-CB 3.49Å; A440-N443 PolarHBondContact O-N 3.06Å; A440-K444 WeakPolarHBondContact O-CG 3.34Å; A440-K444 PolarHBondContact O-N 2.82Å |
| 441 | E | 97.6 | Very high | 94.2 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 29% | 0.29 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -70.1 | -39.5 | 177.8 | -68.1 | -54 | 125 | 0 | 0 | 113 | K437 A438 Y439 N443 K444 L445 M466 R473 | K437-E441 PolarHBondContact O-N 3.49Å; K437-E441 VanDerWaalsContact O-N 3.13Å; A438-E441 PolarHBondContact O-N 3.08Å; Y439-E441 VanDerWaalsContact C-N 3.33Å; Y439-E441 PolarHBondContact O-N 3.21Å; E441-N443 VanDerWaalsContact C-N 3.32Å; E441-N443 PolarHBondContact O-N 2.57Å; E441-K444 PolarHBondContact O-N 3.16Å; E441-K444 IonicContact OE1-NZ 3.67Å; E441-K444 PolarHBondContact OE1-NZ 3.46Å; E441-L445 PolarHBondContact O-N 3.11Å; E441-M466 HydrophobicContact CB-CE 4.24Å; E441-R473 HydrophobicContact CB-CB 4.34Å; E441-R473 WeakPolarHBondContact OE2-CD 3.47Å |
| 442 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A438 Y439 K444 L445 L446 V459 L462 A463 M466 | A438-A442 WeakPolarHBondContact O-CB 3.45Å; A438-A442 PolarHBondContact O-N 3.02Å; Y439-A442 PolarHBondContact O-N 3.28Å; A442-K444 VanDerWaalsContact C-N 3.34Å; A442-K444 PolarHBondContact O-N 2.96Å; A442-L445 WeakPolarHBondContact O-CB 3.13Å; A442-L445 PolarHBondContact O-N 2.88Å; A442-L446 WeakPolarHBondContact O-CB 3.1Å; A442-L446 VanDerWaalsContact O-CG 3.32Å; A442-L446 WeakPolarHBondContact O-CG 3.07Å; A442-L446 PolarHBondContact O-N 2.86Å; A442-V459 HydrophobicContact CB-CG1 3.93Å; A442-L462 HydrophobicContact CB-CB 4.02Å; A442-L462 HydrophobicContact CB-CD2 3.86Å; A442-L462 HydrophobicContact CB-CG 3.83Å; A442-A463 HydrophobicContact CB-CB 4.33Å; A442-M466 HydrophobicContact CB-SD 4.14Å |
| 443 | N | 97.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 174 | -179.9 | 47.3 | 0 | 0 | 0 | 111.2 | Y439 A440 E441 L446 G447 D448 L449 K451 V459 | Y439-N443 PolarHBondContact O-N 3.44Å; A440-N443 WeakPolarHBondContact O-CB 3.49Å; A440-N443 PolarHBondContact O-N 3.06Å; E441-N443 VanDerWaalsContact C-N 3.32Å; E441-N443 PolarHBondContact O-N 2.57Å; N443-L446 PolarHBondContact O-N 2.85Å; N443-G447 PolarHBondContact O-N 2.89Å; N443-D448 PolarHBondContact ND2-OD1 3.33Å; N443-D448 WeakPolarHBondContact O-CA 3.44Å; N443-D448 PolarHBondContact O-N 3.21Å; N443-L449 PolarHBondContact OD1-N 2.68Å; N443-L449 PolarHBondContact OD1-O 3.04Å; N443-K451 HydrophobicContact CB-CD 4.14Å; N443-K451 PolarHBondContact ND2-NZ 3.31Å; N443-K451 VanDerWaalsContact ND2-NZ 3.15Å; N443-K451 PolarHBondContact OD1-NZ 3.21Å; N443-V459 HydrophobicContact CB-CG1 4.16Å |
| 444 | K | 95.8 | Very high | 94.8 | Very high | 102 Ų | 102 | 27.3 Ų | 27.3 | 44% | 0.443 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.3 | -38 | 179 | -58.7 | 170.1 | -175.3 | 164.7 | 0 | 112.3 | A440 E441 A442 L446 G447 | A440-K444 WeakPolarHBondContact O-CG 3.34Å; A440-K444 PolarHBondContact O-N 2.82Å; E441-K444 PolarHBondContact O-N 3.16Å; E441-K444 IonicContact OE1-NZ 3.67Å; E441-K444 PolarHBondContact OE1-NZ 3.46Å; A442-K444 VanDerWaalsContact C-N 3.34Å; A442-K444 PolarHBondContact O-N 2.96Å; K444-L446 VanDerWaalsContact C-N 3.25Å; K444-L446 PolarHBondContact O-N 2.81Å; K444-G447 PolarHBondContact O-N 3.14Å; K444-G447 VanDerWaalsContact O-N 3.11Å |
| 445 | L | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | 173 | -84.6 | 170.4 | 0 | 0 | 0 | 112 | E441 A442 G447 L462 M466 R473 V476 E477 P505 | E441-L445 PolarHBondContact O-N 3.11Å; A442-L445 WeakPolarHBondContact O-CB 3.13Å; A442-L445 PolarHBondContact O-N 2.88Å; L445-G447 PolarHBondContact O-N 3.25Å; L445-L462 HydrophobicContact CB-CD2 4.37Å; L445-L462 HydrophobicContact CD1-CD2 4.29Å; L445-M466 HydrophobicContact CD1-CE 3.97Å; L445-M466 HydrophobicContact CD1-SD 3.75Å; L445-R473 HydrophobicContact CD1-CB 4.39Å; L445-R473 HydrophobicContact CD1-CG 4.32Å; L445-R473 HydrophobicContact CD2-CG 3.72Å; L445-R473 HydrophobicContact CG-CB 4.37Å; L445-R473 HydrophobicContact CG-CG 3.8Å; L445-V476 HydrophobicContact CD1-CB 4.11Å; L445-V476 HydrophobicContact CD1-CG1 3.88Å; L445-V476 HydrophobicContact CD2-CG1 4.28Å; L445-E477 HydrophobicContact CD2-CG 3.28Å; L445-P505 WeakPolarHBondContact O-CG 3.27Å |
| 446 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 5.8 | -179.5 | -63.1 | 172.6 | 0 | 0 | 0 | 113.3 | A442 N443 K444 L449 I458 V459 L462 V489 F492 L493 F508 | A442-L446 WeakPolarHBondContact O-CB 3.1Å; A442-L446 VanDerWaalsContact O-CG 3.32Å; A442-L446 WeakPolarHBondContact O-CG 3.07Å; A442-L446 PolarHBondContact O-N 2.86Å; N443-L446 PolarHBondContact O-N 2.85Å; K444-L446 VanDerWaalsContact C-N 3.25Å; K444-L446 PolarHBondContact O-N 2.81Å; L446-L449 HydrophobicContact CB-CD1 3.77Å; L446-L449 HydrophobicContact CB-CG 4.06Å; L446-L449 HydrophobicContact CD1-CD1 4.31Å; L446-L449 WeakPolarHBondContact O-CD2 3.48Å; L446-I458 HydrophobicContact CD1-CG2 4.02Å; L446-V459 HydrophobicContact CD1-CG2 3.95Å; L446-L462 HydrophobicContact CD1-CD2 3.85Å; L446-L462 HydrophobicContact CD2-CD2 4.04Å; L446-L462 HydrophobicContact CG-CD2 3.79Å; L446-V489 HydrophobicContact CD2-CG1 4.11Å; L446-F492 HydrophobicContact CB-CE1 4.22Å; L446-F492 HydrophobicContact CD2-CD1 4.02Å; L446-F492 HydrophobicContact CD2-CE1 3.93Å; L446-L493 HydrophobicContact CD2-CD2 4.5Å; L446-F508 HydrophobicContact CD2-CE1 4.15Å |
| 447 | G | 95.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 26 Ų | 26 | 28% | 0.278 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 22.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K262 N443 K444 L445 | K262-G447 PolarHBondContact NZ-O 3.48Å; N443-G447 PolarHBondContact O-N 2.89Å; K444-G447 PolarHBondContact O-N 3.14Å; K444-G447 VanDerWaalsContact O-N 3.11Å; L445-G447 PolarHBondContact O-N 3.25Å |
| 448 | D | 95.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 19.7 Ų | 19.7 | 19% | 0.187 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 60.4 | 81.1 | -176.2 | -168.3 | 25.3 | 0 | 0 | 0 | 112.3 | R260 K262 Y263 N443 | R260-D448 IonicContact NH2-OD1 2.81Å; R260-D448 IonicContact NH2-OD2 3.58Å; K262-D448 HydrophobicContact CD-CB 4.23Å; K262-D448 PolarHBondContact NZ-O 3.04Å; Y263-D448 WeakPolarHBondContact CE2-O 3.35Å; Y263-D448 PolarHBondContact OH-O 3.06Å; N443-D448 PolarHBondContact ND2-OD1 3.33Å; N443-D448 WeakPolarHBondContact O-CA 3.44Å; N443-D448 PolarHBondContact O-N 3.21Å |
| 449 | L | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | trans | -90.2 | 154.3 | -173.2 | -58.6 | -175.8 | 0 | 0 | 0 | 112.4 | L225 N443 L446 K451 V459 F492 P500 | L225-L449 HydrophobicContact CD2-CD2 4.41Å; N443-L449 PolarHBondContact OD1-N 2.68Å; N443-L449 PolarHBondContact OD1-O 3.04Å; L446-L449 HydrophobicContact CB-CD1 3.77Å; L446-L449 HydrophobicContact CB-CG 4.06Å; L446-L449 HydrophobicContact CD1-CD1 4.31Å; L446-L449 WeakPolarHBondContact O-CD2 3.48Å; L449-K451 HydrophobicContact CB-CG 4.45Å; L449-K451 PolarHBondContact O-NZ 3.35Å; L449-V459 HydrophobicContact CD1-CG2 4.37Å; L449-F492 HydrophobicContact CD1-CE1 4.07Å; L449-F492 HydrophobicContact CD1-CE2 4.01Å; L449-F492 HydrophobicContact CD1-CZ 3.67Å; L449-F492 HydrophobicContact CD2-CE2 4.32Å; L449-F492 HydrophobicContact CD2-CZ 3.79Å; L449-F492 HydrophobicContact CG-CZ 4.36Å; L449-P500 HydrophobicContact CD2-CB 3.64Å; L449-P500 HydrophobicContact CD2-CG 4.39Å | ||
| 450 | I | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | trans | -66.6 | 130.5 | 152.6 | -65.2 | 151.5 | 0 | 0 | 0 | 107.4 | S224 L225 N226 S250 T252 Y263 M288 V452 S455 | S224-I450 WeakPolarHBondContact O-CG2 3.33Å; L225-I450 WeakPolarHBondContact O-CD1 3.5Å; N226-I450 HydrophobicContact CB-CD1 3.68Å; N226-I450 VanDerWaalsContact ND2-CD1 3.27Å; N226-I450 WeakPolarHBondContact ND2-CD1 3.36Å; S250-I450 VanDerWaalsContact CB-CG2 3.47Å; T252-I450 HydrophobicContact CG2-CB 4.41Å; T252-I450 HydrophobicContact CG2-CG1 3.59Å; Y263-I450 HydrophobicContact CD1-CG1 4.48Å; Y263-I450 HydrophobicContact CE1-CD1 3.79Å; Y263-I450 HydrophobicContact CE1-CG1 3.77Å; Y263-I450 PolarHBondContact OH-N 3.43Å; M288-I450 HydrophobicContact CE-CG2 3.94Å; I450-V452 HydrophobicContact CG2-CG1 4.34Å; I450-S455 WeakPolarHBondContact O-CB 3.35Å; I450-S455 PolarHBondContact O-OG 3Å | ||
| 451 | K | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -118 | 93.3 | -170.8 | -68.8 | 169.9 | -64.3 | -69 | 0 | 110.2 | M288 E410 P412 Y439 N443 L449 S455 V459 | M288-K451 VanDerWaalsContact CE-O 3.22Å; M288-K451 WeakPolarHBondContact CE-O 3.38Å; M288-K451 WeakPolarHBondContact CG-O 3.4Å; E410-K451 WeakPolarHBondContact O-CE 3.22Å; E410-K451 WeakPolarHBondContact OE2-CE 3.38Å; E410-K451 IonicContact OE2-NZ 2.62Å; E410-K451 PolarHBondContact OE2-NZ 2.76Å; P412-K451 HydrophobicContact CG-CB 4.5Å; P412-K451 WeakPolarHBondContact CG-O 3.27Å; Y439-K451 HydrophobicContact CE1-CD 3.65Å; N443-K451 HydrophobicContact CB-CD 4.14Å; N443-K451 PolarHBondContact ND2-NZ 3.31Å; N443-K451 VanDerWaalsContact ND2-NZ 3.15Å; N443-K451 PolarHBondContact OD1-NZ 3.21Å; L449-K451 HydrophobicContact CB-CG 4.45Å; L449-K451 PolarHBondContact O-NZ 3.35Å; K451-S455 WeakPolarHBondContact CA-OG 3.3Å; K451-V459 HydrophobicContact CD-CG1 4.38Å; K451-V459 HydrophobicContact CD-CG2 4.13Å; K451-V459 HydrophobicContact CG-CG2 4.04Å | ||
| 452 | V | 92.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 16.4 Ų | 16.4 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | trans | -146 | 158.3 | 173.9 | 62 | 0 | 0 | 0 | 0 | 107.2 | F222 S224 M288 I450 P454 S455 S456 | F222-V452 HydrophobicContact CD2-CG1 4.04Å; F222-V452 HydrophobicContact CD2-CG2 4.32Å; F222-V452 HydrophobicContact CE2-CB 4.36Å; F222-V452 HydrophobicContact CE2-CG1 3.71Å; F222-V452 HydrophobicContact CE2-CG2 3.68Å; F222-V452 HydrophobicContact CZ-CG2 4.4Å; S224-V452 VanDerWaalsContact CA-CG1 3.41Å; M288-V452 HydrophobicContact CB-CB 4.49Å; M288-V452 HydrophobicContact CB-CG2 4.2Å; M288-V452 HydrophobicContact CE-CB 4.49Å; M288-V452 HydrophobicContact CG-CB 3.94Å; M288-V452 HydrophobicContact CG-CG2 4.2Å; M288-V452 HydrophobicContact SD-CB 4.29Å; I450-V452 HydrophobicContact CG2-CG1 4.34Å; V452-P454 CarbonylContact O-C 3.25Å; V452-P454 VanDerWaalsContact O-N 3.15Å; V452-S455 PolarHBondContact N-OG 3.26Å; V452-S455 PolarHBondContact O-N 2.99Å; V452-S455 PolarHBondContact O-OG 3.44Å; V452-S456 PolarHBondContact O-N 3.49Å | ||
| 453 | T | 87.8 | Confident | 94.4 | Very high | 34 Ų | 34 | 16.4 Ų | 16.4 | 21% | 0.209 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 124.3 | -173.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | R189 Y196 S456 | R189-T453 WeakPolarHBondContact CD-O 3.27Å; Y196-T453 HydrophobicContact CD1-CG2 4.4Å; Y196-T453 HydrophobicContact CE1-CG2 3.98Å; T453-S456 PolarHBondContact N-OG 3.04Å |
| 454 | P | 89.3 | Confident | 94.2 | Very high | 14 Ų | 14 | 16.7 Ų | 16.7 | 9% | 0.091 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.6 | -2.8 | 7.6 | 37.5 | -30.8 | 0 | 0 | 0 | 115.7 | V452 S456 K457 I458 V497 | V452-P454 CarbonylContact O-C 3.25Å; V452-P454 VanDerWaalsContact O-N 3.15Å; P454-S456 VanDerWaalsContact C-N 3.29Å; P454-S456 PolarHBondContact O-N 2.69Å; P454-K457 WeakPolarHBondContact O-CB 3.23Å; P454-K457 PolarHBondContact O-N 3.1Å; P454-I458 WeakPolarHBondContact O-CG1 3.24Å; P454-I458 PolarHBondContact O-N 2.78Å; P454-I458 VanDerWaalsContact O-N 3.07Å; P454-V497 HydrophobicContact CG-CG1 4.07Å; P454-V497 HydrophobicContact CG-CG2 4.4Å |
| 455 | S | 93.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.4 | -33.8 | -178.8 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | S224 I450 K451 V452 K457 I458 V459 | S224-S455 PolarHBondContact O-OG 3.41Å; I450-S455 WeakPolarHBondContact O-CB 3.35Å; I450-S455 PolarHBondContact O-OG 3Å; K451-S455 WeakPolarHBondContact CA-OG 3.3Å; V452-S455 PolarHBondContact N-OG 3.26Å; V452-S455 PolarHBondContact O-N 2.99Å; V452-S455 PolarHBondContact O-OG 3.44Å; S455-K457 VanDerWaalsContact C-N 3.33Å; S455-K457 PolarHBondContact O-N 2.99Å; S455-I458 WeakPolarHBondContact O-CB 3.23Å; S455-I458 PolarHBondContact O-N 3.32Å; S455-V459 WeakPolarHBondContact O-CG2 3.23Å; S455-V459 PolarHBondContact O-N 3.31Å |
| 456 | S | 92.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 172.6 | 59.1 | 0 | 0 | 0 | 0 | 113 | Q415 Y439 V452 T453 P454 G460 | Q415-S456 PolarHBondContact NE2-O 3.43Å; Y439-S456 WeakPolarHBondContact CE2-O 3.26Å; Y439-S456 WeakPolarHBondContact OH-CA 3.37Å; Y439-S456 PolarHBondContact OH-O 3.36Å; V452-S456 PolarHBondContact O-N 3.49Å; T453-S456 PolarHBondContact N-OG 3.04Å; P454-S456 VanDerWaalsContact C-N 3.29Å; P454-S456 PolarHBondContact O-N 2.69Å; S456-G460 PolarHBondContact O-N 2.93Å |
| 457 | K | 90.7 | Very high | 93.9 | Very high | 85 Ų | 85 | 13.7 Ų | 13.7 | 37% | 0.37 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 172.9 | 171.4 | 172.7 | 169.6 | 48.6 | 0 | 111.2 | P454 S455 V459 G460 D461 | P454-K457 WeakPolarHBondContact O-CB 3.23Å; P454-K457 PolarHBondContact O-N 3.1Å; S455-K457 VanDerWaalsContact C-N 3.33Å; S455-K457 PolarHBondContact O-N 2.99Å; K457-V459 VanDerWaalsContact C-N 3.34Å; K457-V459 PolarHBondContact O-N 3.21Å; K457-G460 CarbonylContact O-C 3.49Å; K457-G460 WeakPolarHBondContact O-CA 3.37Å; K457-G460 PolarHBondContact O-N 3.43Å; K457-G460 VanDerWaalsContact O-N 3.1Å; K457-D461 WeakPolarHBondContact CE-OD2 3.15Å; K457-D461 IonicContact NZ-OD1 3.59Å; K457-D461 PolarHBondContact NZ-OD1 3.34Å; K457-D461 IonicContact NZ-OD2 2.88Å; K457-D461 PolarHBondContact NZ-OD2 3.1Å; K457-D461 VanDerWaalsContact O-CG 3.28Å; K457-D461 PolarHBondContact O-N 2.76Å |
| 458 | I | 94.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 178.7 | -67.4 | 157.4 | 0 | 0 | 0 | 110.8 | L446 P454 S455 G460 D461 L462 V489 F492 V497 | L446-I458 HydrophobicContact CD1-CG2 4.02Å; P454-I458 WeakPolarHBondContact O-CG1 3.24Å; P454-I458 PolarHBondContact O-N 2.78Å; P454-I458 VanDerWaalsContact O-N 3.07Å; S455-I458 WeakPolarHBondContact O-CB 3.23Å; S455-I458 PolarHBondContact O-N 3.32Å; I458-G460 VanDerWaalsContact C-N 3.33Å; I458-G460 PolarHBondContact O-N 3.04Å; I458-D461 PolarHBondContact O-N 3.41Å; I458-L462 PolarHBondContact O-N 3.09Å; I458-L462 VanDerWaalsContact O-N 3.16Å; I458-V489 HydrophobicContact CG2-CG2 4.15Å; I458-F492 HydrophobicContact CD1-CB 3.77Å; I458-F492 HydrophobicContact CD1-CD2 4.46Å; I458-F492 HydrophobicContact CD1-CG 4.34Å; I458-F492 HydrophobicContact CG1-CB 4.39Å; I458-F492 HydrophobicContact CG2-CB 3.92Å; I458-F492 HydrophobicContact CG2-CD1 4.35Å; I458-F492 HydrophobicContact CG2-CG 4.19Å; I458-V497 HydrophobicContact CD1-CG2 3.93Å |
| 459 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 175 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | Y439 A442 N443 L446 L449 K451 S455 K457 L462 A463 | Y439-V459 HydrophobicContact CD1-CG1 3.76Å; Y439-V459 HydrophobicContact CD2-CB 4.4Å; Y439-V459 HydrophobicContact CD2-CG1 3.79Å; Y439-V459 HydrophobicContact CE1-CB 4.37Å; Y439-V459 HydrophobicContact CE1-CG1 3.72Å; Y439-V459 HydrophobicContact CE2-CB 3.87Å; Y439-V459 HydrophobicContact CE2-CG1 3.69Å; Y439-V459 HydrophobicContact CG-CG1 3.82Å; Y439-V459 WeakPolarHBondContact O-CG1 3.33Å; A442-V459 HydrophobicContact CB-CG1 3.93Å; N443-V459 HydrophobicContact CB-CG1 4.16Å; L446-V459 HydrophobicContact CD1-CG2 3.95Å; L449-V459 HydrophobicContact CD1-CG2 4.37Å; K451-V459 HydrophobicContact CD-CG1 4.38Å; K451-V459 HydrophobicContact CD-CG2 4.13Å; K451-V459 HydrophobicContact CG-CG2 4.04Å; S455-V459 WeakPolarHBondContact O-CG2 3.23Å; S455-V459 PolarHBondContact O-N 3.31Å; K457-V459 VanDerWaalsContact C-N 3.34Å; K457-V459 PolarHBondContact O-N 3.21Å; V459-L462 PolarHBondContact O-N 3.17Å; V459-A463 WeakPolarHBondContact O-CB 3.23Å; V459-A463 PolarHBondContact O-N 3.43Å |
| 460 | G | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S456 K457 I458 L462 A463 Q464 | S456-G460 PolarHBondContact O-N 2.93Å; K457-G460 CarbonylContact O-C 3.49Å; K457-G460 WeakPolarHBondContact O-CA 3.37Å; K457-G460 PolarHBondContact O-N 3.43Å; K457-G460 VanDerWaalsContact O-N 3.1Å; I458-G460 VanDerWaalsContact C-N 3.33Å; I458-G460 PolarHBondContact O-N 3.04Å; G460-L462 VanDerWaalsContact C-N 3.34Å; G460-A463 WeakPolarHBondContact O-CB 3.08Å; G460-A463 PolarHBondContact O-N 2.86Å; G460-Q464 WeakPolarHBondContact O-CG 3.29Å; G460-Q464 PolarHBondContact O-N 3.21Å |
| 461 | D | 93.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 25 Ų | 25 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 178.1 | -67.8 | -15.9 | 0 | 0 | 0 | 110.3 | K457 I458 Q464 F465 P486 S488 | K457-D461 WeakPolarHBondContact CE-OD2 3.15Å; K457-D461 IonicContact NZ-OD1 3.59Å; K457-D461 PolarHBondContact NZ-OD1 3.34Å; K457-D461 IonicContact NZ-OD2 2.88Å; K457-D461 PolarHBondContact NZ-OD2 3.1Å; K457-D461 VanDerWaalsContact O-CG 3.28Å; K457-D461 PolarHBondContact O-N 2.76Å; I458-D461 PolarHBondContact O-N 3.41Å; D461-Q464 PolarHBondContact O-N 3.19Å; D461-F465 WeakPolarHBondContact O-CB 3.34Å; D461-F465 PolarHBondContact O-N 2.87Å; D461-P486 HydrophobicContact CB-CB 4.02Å; D461-P486 HydrophobicContact CB-CG 4.24Å; D461-S488 WeakPolarHBondContact CB-OG 3.29Å; D461-S488 WeakPolarHBondContact OD2-CB 3.39Å; D461-S488 PolarHBondContact OD2-OG 3.31Å |
| 462 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 174.5 | -176.6 | 55.7 | 0 | 0 | 0 | 111.8 | A442 L445 L446 I458 V459 G460 Q464 F465 M466 F485 V489 | A442-L462 HydrophobicContact CB-CB 4.02Å; A442-L462 HydrophobicContact CB-CD2 3.86Å; A442-L462 HydrophobicContact CB-CG 3.83Å; L445-L462 HydrophobicContact CB-CD2 4.37Å; L445-L462 HydrophobicContact CD1-CD2 4.29Å; L446-L462 HydrophobicContact CD1-CD2 3.85Å; L446-L462 HydrophobicContact CD2-CD2 4.04Å; L446-L462 HydrophobicContact CG-CD2 3.79Å; I458-L462 PolarHBondContact O-N 3.09Å; I458-L462 VanDerWaalsContact O-N 3.16Å; V459-L462 PolarHBondContact O-N 3.17Å; G460-L462 VanDerWaalsContact C-N 3.34Å; L462-Q464 PolarHBondContact O-N 3.16Å; L462-F465 HydrophobicContact CD1-CD1 4.28Å; L462-F465 WeakPolarHBondContact O-CB 3.29Å; L462-F465 PolarHBondContact O-N 3.29Å; L462-M466 HydrophobicContact CD1-CG 4.39Å; L462-M466 HydrophobicContact CG-SD 4.18Å; L462-M466 VanDerWaalsContact O-CG 3.25Å; L462-M466 WeakPolarHBondContact O-CG 3.26Å; L462-M466 PolarHBondContact O-N 3.04Å; L462-F485 HydrophobicContact CD1-CD1 3.88Å; L462-F485 HydrophobicContact CD1-CE1 3.99Å; L462-V489 HydrophobicContact CB-CG2 3.82Å |
| 463 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A438 Y439 A442 V459 G460 M466 V467 | A438-A463 HydrophobicContact CB-CB 4.05Å; Y439-A463 HydrophobicContact CD2-CB 4.3Å; A442-A463 HydrophobicContact CB-CB 4.33Å; V459-A463 WeakPolarHBondContact O-CB 3.23Å; V459-A463 PolarHBondContact O-N 3.43Å; G460-A463 WeakPolarHBondContact O-CB 3.08Å; G460-A463 PolarHBondContact O-N 2.86Å; A463-M466 PolarHBondContact O-N 3.1Å; A463-V467 WeakPolarHBondContact O-CG2 3.37Å; A463-V467 PolarHBondContact O-N 3.23Å |
| 464 | Q | 92.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.4 | -71.6 | 177.6 | 15.8 | 0 | 0 | 111.3 | L419 M426 G460 D461 L462 M466 V467 Q468 | L419-Q464 HydrophobicContact CD1-CG 4.14Å; M426-Q464 PolarHBondContact SD-OE1 3.26Å; M426-Q464 VanDerWaalsContact SD-OE1 3.37Å; G460-Q464 WeakPolarHBondContact O-CG 3.29Å; G460-Q464 PolarHBondContact O-N 3.21Å; D461-Q464 PolarHBondContact O-N 3.19Å; L462-Q464 PolarHBondContact O-N 3.16Å; Q464-M466 VanDerWaalsContact C-N 3.32Å; Q464-M466 PolarHBondContact O-N 3.14Å; Q464-V467 PolarHBondContact O-N 3.25Å; Q464-Q468 WeakPolarHBondContact O-CB 3.43Å; Q464-Q468 VanDerWaalsContact O-CG 3.24Å; Q464-Q468 WeakPolarHBondContact O-CG 3.36Å; Q464-Q468 PolarHBondContact O-N 2.94Å |
| 465 | F | 94.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.3 | 172.7 | -94 | 0 | 0 | 0 | 111.7 | D461 L462 Q468 N469 L471 L483 S484 F485 P486 | D461-F465 WeakPolarHBondContact O-CB 3.34Å; D461-F465 PolarHBondContact O-N 2.87Å; L462-F465 HydrophobicContact CD1-CD1 4.28Å; L462-F465 WeakPolarHBondContact O-CB 3.29Å; L462-F465 PolarHBondContact O-N 3.29Å; F465-Q468 PolarHBondContact O-N 2.91Å; F465-N469 WeakPolarHBondContact CD2-ND2 3.29Å; F465-N469 WeakPolarHBondContact CE2-ND2 3.26Å; F465-N469 WeakPolarHBondContact O-CB 3.45Å; F465-N469 PolarHBondContact O-N 3.26Å; F465-N469 VanDerWaalsContact O-N 3.13Å; F465-N469 PolarHBondContact O-ND2 3Å; F465-L471 HydrophobicContact CD1-CD1 4.42Å; F465-L471 HydrophobicContact CE1-CD1 3.72Å; F465-L471 HydrophobicContact CZ-CD1 4.26Å; F465-L483 HydrophobicContact CE1-CD1 4.42Å; F465-L483 HydrophobicContact CZ-CB 4.28Å; F465-L483 HydrophobicContact CZ-CD2 4.36Å; F465-S484 VanDerWaalsContact CE2-O 3.24Å; F465-S484 WeakPolarHBondContact CE2-O 3.31Å; F465-F485 HydrophobicContact CE1-CD1 4.47Å; F465-F485 HydrophobicContact CE1-CE1 4.47Å; F465-P486 HydrophobicContact CB-CG 3.88Å; F465-P486 HydrophobicContact CD2-CG 4.41Å; F465-P486 HydrophobicContact CG-CG 4.26Å |
| 466 | M | 95.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 176.7 | -71.6 | 172 | 70.6 | 0 | 0 | 111.6 | A438 E441 A442 L445 L462 A463 Q464 N469 N470 L471 R473 V476 | A438-M466 HydrophobicContact CB-CB 4.43Å; E441-M466 HydrophobicContact CB-CE 4.24Å; A442-M466 HydrophobicContact CB-SD 4.14Å; L445-M466 HydrophobicContact CD1-CE 3.97Å; L445-M466 HydrophobicContact CD1-SD 3.75Å; L462-M466 HydrophobicContact CD1-CG 4.39Å; L462-M466 HydrophobicContact CG-SD 4.18Å; L462-M466 VanDerWaalsContact O-CG 3.25Å; L462-M466 WeakPolarHBondContact O-CG 3.26Å; L462-M466 PolarHBondContact O-N 3.04Å; A463-M466 PolarHBondContact O-N 3.1Å; Q464-M466 VanDerWaalsContact C-N 3.32Å; Q464-M466 PolarHBondContact O-N 3.14Å; M466-N469 PolarHBondContact O-N 3.34Å; M466-N470 PolarHBondContact O-N 2.72Å; M466-L471 PolarHBondContact O-N 3.09Å; M466-R473 HydrophobicContact CE-CB 4.43Å; M466-V476 HydrophobicContact CE-CG2 4.38Å; M466-V476 HydrophobicContact CG-CG2 3.96Å |
| 467 | V | 93.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 7% | 0.073 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | L428 K431 E434 V435 A438 A463 Q464 N469 N470 | L428-V467 HydrophobicContact CD1-CG1 4.41Å; L428-V467 HydrophobicContact CD2-CG1 4.29Å; K431-V467 HydrophobicContact CD-CG1 4.3Å; E434-V467 HydrophobicContact CB-CG1 4.49Å; E434-V467 HydrophobicContact CB-CG2 4.29Å; V435-V467 HydrophobicContact CG2-CB 4.43Å; V435-V467 HydrophobicContact CG2-CG1 4.28Å; V435-V467 HydrophobicContact CG2-CG2 4.15Å; A438-V467 HydrophobicContact CB-CG2 3.63Å; A463-V467 WeakPolarHBondContact O-CG2 3.37Å; A463-V467 PolarHBondContact O-N 3.23Å; Q464-V467 PolarHBondContact O-N 3.25Å; V467-N469 VanDerWaalsContact C-N 3.29Å; V467-N469 PolarHBondContact O-N 3.03Å; V467-N470 PolarHBondContact O-N 2.74Å |
| 468 | Q | 91.6 | Very high | 95 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 179.2 | -75.5 | 171.1 | 13.7 | 0 | 0 | 112.5 | M426 L428 Q464 F465 | M426-Q468 PolarHBondContact SD-NE2 3.38Å; L428-Q468 HydrophobicContact CD1-CG 3.69Å; Q464-Q468 WeakPolarHBondContact O-CB 3.43Å; Q464-Q468 VanDerWaalsContact O-CG 3.24Å; Q464-Q468 WeakPolarHBondContact O-CG 3.36Å; Q464-Q468 PolarHBondContact O-N 2.94Å; F465-Q468 PolarHBondContact O-N 2.91Å |
| 469 | N | 92.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.1 | -178 | -65.2 | -80 | 0 | 0 | 0 | 112.7 | F465 M466 V467 L471 | F465-N469 WeakPolarHBondContact CD2-ND2 3.29Å; F465-N469 WeakPolarHBondContact CE2-ND2 3.26Å; F465-N469 WeakPolarHBondContact O-CB 3.45Å; F465-N469 PolarHBondContact O-N 3.26Å; F465-N469 VanDerWaalsContact O-N 3.13Å; F465-N469 PolarHBondContact O-ND2 3Å; M466-N469 PolarHBondContact O-N 3.34Å; V467-N469 VanDerWaalsContact C-N 3.29Å; V467-N469 PolarHBondContact O-N 3.03Å; N469-L471 VanDerWaalsContact C-N 3.25Å; N469-L471 HydrophobicContact CB-CD1 3.67Å; N469-L471 HydrophobicContact CB-CG 3.71Å; N469-L471 PolarHBondContact O-N 3.13Å |
| 470 | N | 94.4 | Very high | 95 | Very high | 119 Ų | 119 | 46.6 Ų | 46.6 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 43.1 | -174.4 | -55.2 | -65.8 | 0 | 0 | 0 | 113 | M466 V467 | M466-N470 PolarHBondContact O-N 2.72Å; V467-N470 PolarHBondContact O-N 2.74Å |
| 471 | L | 95.9 | Very high | 95 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | trans | -97.1 | 132.3 | -177.8 | -62 | 170.5 | 0 | 0 | 0 | 111.2 | F465 M466 N469 E475 V476 L483 | F465-L471 HydrophobicContact CD1-CD1 4.42Å; F465-L471 HydrophobicContact CE1-CD1 3.72Å; F465-L471 HydrophobicContact CZ-CD1 4.26Å; M466-L471 PolarHBondContact O-N 3.09Å; N469-L471 VanDerWaalsContact C-N 3.25Å; N469-L471 HydrophobicContact CB-CD1 3.67Å; N469-L471 HydrophobicContact CB-CG 3.71Å; N469-L471 PolarHBondContact O-N 3.13Å; L471-E475 HydrophobicContact CD2-CB 4.38Å; L471-V476 HydrophobicContact CB-CG2 3.85Å; L471-V476 HydrophobicContact CD1-CG2 4.13Å; L471-L483 HydrophobicContact CD1-CD1 3.91Å; L471-L483 HydrophobicContact CD1-CD2 4.05Å | ||
| 472 | T | 96.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | trans | -80.6 | 163.2 | 164.9 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | A474 E475 V476 | T472-A474 VanDerWaalsContact C-N 3.31Å; T472-A474 PolarHBondContact O-N 3.15Å; T472-E475 WeakPolarHBondContact CB-OE2 3.48Å; T472-E475 WeakPolarHBondContact CG2-OE2 3.35Å; T472-E475 PolarHBondContact N-OE2 2.89Å; T472-E475 PolarHBondContact O-N 3.01Å; T472-E475 VanDerWaalsContact OG1-CD 3.31Å; T472-E475 WeakPolarHBondContact OG1-CG 3.48Å; T472-E475 PolarHBondContact OG1-N 3.44Å; T472-E475 PolarHBondContact OG1-OE2 2.83Å; T472-V476 WeakPolarHBondContact O-CG2 3.36Å; T472-V476 PolarHBondContact O-N 2.88Å; T472-V476 VanDerWaalsContact O-N 3.11Å | ||
| 473 | R | 95.9 | Very high | 95 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53 | -47.6 | 174 | 162.8 | 175.5 | 168.1 | 156.5 | 6.3 | 112.3 | E441 L445 M466 E475 V476 E477 | E441-R473 HydrophobicContact CB-CB 4.34Å; E441-R473 WeakPolarHBondContact OE2-CD 3.47Å; L445-R473 HydrophobicContact CD1-CB 4.39Å; L445-R473 HydrophobicContact CD1-CG 4.32Å; L445-R473 HydrophobicContact CD2-CG 3.72Å; L445-R473 HydrophobicContact CG-CB 4.37Å; L445-R473 HydrophobicContact CG-CG 3.8Å; M466-R473 HydrophobicContact CE-CB 4.43Å; R473-E475 VanDerWaalsContact C-N 3.33Å; R473-E475 PolarHBondContact O-N 3.33Å; R473-V476 WeakPolarHBondContact O-CB 3.27Å; R473-V476 PolarHBondContact O-N 2.95Å; R473-V476 VanDerWaalsContact O-N 3.16Å; R473-E477 IonicContact CZ-OE1 3.96Å; R473-E477 IonicContact NE-OE1 2.95Å; R473-E477 PolarHBondContact NE-OE1 3.33Å; R473-E477 IonicContact NE-OE2 3.39Å; R473-E477 PolarHBondContact NE-OE2 3.02Å; R473-E477 IonicContact NH2-OE1 3.17Å; R473-E477 PolarHBondContact NH2-OE1 3.21Å; R473-E477 IonicContact NH2-OE2 3.55Å; R473-E477 PolarHBondContact O-N 2.81Å |
| 474 | A | 96.4 | Very high | 95 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 51% | 0.512 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | T472 V476 E477 E478 | T472-A474 VanDerWaalsContact C-N 3.31Å; T472-A474 PolarHBondContact O-N 3.15Å; A474-V476 VanDerWaalsContact C-N 3.32Å; A474-V476 PolarHBondContact O-N 3.34Å; A474-E477 PolarHBondContact O-N 3.43Å; A474-E478 WeakPolarHBondContact O-CB 3.45Å; A474-E478 PolarHBondContact O-N 2.94Å |
| 475 | E | 96.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 176.5 | -68.7 | 164.5 | 133.6 | 0 | 0 | 112.1 | L471 T472 R473 R479 | L471-E475 HydrophobicContact CD2-CB 4.38Å; T472-E475 WeakPolarHBondContact CB-OE2 3.48Å; T472-E475 WeakPolarHBondContact CG2-OE2 3.35Å; T472-E475 PolarHBondContact N-OE2 2.89Å; T472-E475 PolarHBondContact O-N 3.01Å; T472-E475 VanDerWaalsContact OG1-CD 3.31Å; T472-E475 WeakPolarHBondContact OG1-CG 3.48Å; T472-E475 PolarHBondContact OG1-N 3.44Å; T472-E475 PolarHBondContact OG1-OE2 2.83Å; R473-E475 VanDerWaalsContact C-N 3.33Å; R473-E475 PolarHBondContact O-N 3.33Å; E475-R479 WeakPolarHBondContact O-CB 3.48Å; E475-R479 PolarHBondContact O-N 3.45Å |
| 476 | V | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.9 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L445 M466 L471 T472 R473 A474 A480 L483 F485 F508 | L445-V476 HydrophobicContact CD1-CB 4.11Å; L445-V476 HydrophobicContact CD1-CG1 3.88Å; L445-V476 HydrophobicContact CD2-CG1 4.28Å; M466-V476 HydrophobicContact CE-CG2 4.38Å; M466-V476 HydrophobicContact CG-CG2 3.96Å; L471-V476 HydrophobicContact CB-CG2 3.85Å; L471-V476 HydrophobicContact CD1-CG2 4.13Å; T472-V476 WeakPolarHBondContact O-CG2 3.36Å; T472-V476 PolarHBondContact O-N 2.88Å; T472-V476 VanDerWaalsContact O-N 3.11Å; R473-V476 WeakPolarHBondContact O-CB 3.27Å; R473-V476 PolarHBondContact O-N 2.95Å; R473-V476 VanDerWaalsContact O-N 3.16Å; A474-V476 VanDerWaalsContact C-N 3.32Å; A474-V476 PolarHBondContact O-N 3.34Å; V476-A480 WeakPolarHBondContact O-CA 3.33Å; V476-A480 WeakPolarHBondContact O-CB 3.48Å; V476-A480 PolarHBondContact O-N 3.16Å; V476-A480 VanDerWaalsContact O-N 3.08Å; V476-L483 HydrophobicContact CG2-CD1 4.43Å; V476-F485 HydrophobicContact CG1-CE1 3.72Å; V476-F485 HydrophobicContact CG1-CZ 3.88Å; V476-F508 HydrophobicContact CG1-CE2 3.85Å; V476-F508 HydrophobicContact CG1-CZ 4.21Å |
| 477 | E | 95.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 68.8 Ų | 68.8 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 178.6 | -68 | 175.1 | 148.2 | 0 | 0 | 112.5 | L445 R473 A474 K511 | L445-E477 HydrophobicContact CD2-CG 3.28Å; R473-E477 IonicContact CZ-OE1 3.96Å; R473-E477 IonicContact NE-OE1 2.95Å; R473-E477 PolarHBondContact NE-OE1 3.33Å; R473-E477 IonicContact NE-OE2 3.39Å; R473-E477 PolarHBondContact NE-OE2 3.02Å; R473-E477 IonicContact NH2-OE1 3.17Å; R473-E477 PolarHBondContact NH2-OE1 3.21Å; R473-E477 IonicContact NH2-OE2 3.55Å; R473-E477 PolarHBondContact O-N 2.81Å; A474-E477 PolarHBondContact O-N 3.43Å; E477-K511 PolarHBondContact O-NZ 3.24Å |
| 478 | E | 95.8 | Very high | 95.1 | Very high | 142 Ų | 142 | 69.1 Ų | 69.1 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -49.6 | 178.8 | -173.1 | 175.2 | -179.1 | 0 | 0 | 110.4 | A474 K511 | A474-E478 WeakPolarHBondContact O-CB 3.45Å; A474-E478 PolarHBondContact O-N 2.94Å; E478-K511 PolarHBondContact O-NZ 3.36Å |
| 479 | R | 95.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 65.4 Ų | 65.4 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 20.2 | -171.4 | -57.7 | 169.9 | 60.6 | -157.6 | -4.2 | 114.1 | E475 D481 E482 L483 | E475-R479 WeakPolarHBondContact O-CB 3.48Å; E475-R479 PolarHBondContact O-N 3.45Å; R479-D481 PolarHBondContact O-N 3.48Å; R479-D481 VanDerWaalsContact O-N 3.08Å; R479-E482 HydrophobicContact CB-CB 4.46Å; R479-E482 IonicContact NE-OE2 3.64Å; R479-E482 PolarHBondContact NE-OE2 2.66Å; R479-E482 IonicContact NH2-OE2 3.97Å; R479-E482 PolarHBondContact O-N 3.3Å; R479-L483 HydrophobicContact CB-CD1 4.27Å; R479-L483 HydrophobicContact CB-CG 4.26Å; R479-L483 WeakPolarHBondContact O-CG 3.32Å; R479-L483 PolarHBondContact O-N 3.36Å; R479-L483 VanDerWaalsContact O-N 3.15Å |
| 480 | A | 95 | Very high | 95.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | V476 F485 F508 K511 V512 | V476-A480 WeakPolarHBondContact O-CA 3.33Å; V476-A480 WeakPolarHBondContact O-CB 3.48Å; V476-A480 PolarHBondContact O-N 3.16Å; V476-A480 VanDerWaalsContact O-N 3.08Å; A480-F485 HydrophobicContact CB-CZ 4.39Å; A480-F485 WeakPolarHBondContact O-CE2 3.48Å; A480-F508 HydrophobicContact CB-CD2 3.73Å; A480-F508 HydrophobicContact CB-CE2 3.72Å; A480-K511 HydrophobicContact CB-CB 3.71Å; A480-K511 HydrophobicContact CB-CD 3.87Å; A480-K511 HydrophobicContact CB-CG 4.5Å; A480-V512 HydrophobicContact CB-CG2 4.1Å |
| 481 | D | 94.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.9 | 175.2 | 57.7 | -35.3 | 0 | 0 | 0 | 113.6 | R479 K511 K514 | R479-D481 PolarHBondContact O-N 3.48Å; R479-D481 VanDerWaalsContact O-N 3.08Å; D481-K511 HydrophobicContact CB-CB 4.24Å; D481-K514 WeakPolarHBondContact O-CE 3.45Å; D481-K514 PolarHBondContact O-NZ 3.21Å |
| 482 | E | 94.1 | Very high | 95.4 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.603 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -30.9 | 177.7 | -58.8 | 179.4 | 171 | 0 | 0 | 112.7 | R479 | R479-E482 HydrophobicContact CB-CB 4.46Å; R479-E482 IonicContact NE-OE2 3.64Å; R479-E482 PolarHBondContact NE-OE2 2.66Å; R479-E482 IonicContact NH2-OE2 3.97Å; R479-E482 PolarHBondContact O-N 3.3Å |
| 483 | L | 95.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -78.3 | 142.6 | -172.4 | -65.9 | 171.6 | 0 | 0 | 0 | 112.6 | F465 L471 V476 R479 F485 | F465-L483 HydrophobicContact CE1-CD1 4.42Å; F465-L483 HydrophobicContact CZ-CB 4.28Å; F465-L483 HydrophobicContact CZ-CD2 4.36Å; L471-L483 HydrophobicContact CD1-CD1 3.91Å; L471-L483 HydrophobicContact CD1-CD2 4.05Å; V476-L483 HydrophobicContact CG2-CD1 4.43Å; R479-L483 HydrophobicContact CB-CD1 4.27Å; R479-L483 HydrophobicContact CB-CG 4.26Å; R479-L483 WeakPolarHBondContact O-CG 3.32Å; R479-L483 PolarHBondContact O-N 3.36Å; R479-L483 VanDerWaalsContact O-N 3.15Å; L483-F485 HydrophobicContact CB-CD2 4.23Å; L483-F485 HydrophobicContact CB-CE2 3.64Å; L483-F485 HydrophobicContact CB-CZ 3.93Å; L483-F485 HydrophobicContact CD1-CZ 4.12Å; L483-F485 WeakPolarHBondContact O-CD2 3.41Å; L483-F485 PolarHBondContact O-N 3.39Å |
| 484 | S | 95.3 | Very high | 95.4 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | trans | -93.2 | 93.6 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | F465 | F465-S484 VanDerWaalsContact CE2-O 3.24Å; F465-S484 WeakPolarHBondContact CE2-O 3.31Å | ||
| 485 | F | 96.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | trans | -71.4 | 154.2 | -177.1 | -69.6 | -89.1 | 0 | 0 | 0 | 112.8 | L462 F465 V476 A480 L483 V489 V490 F508 V512 | L462-F485 HydrophobicContact CD1-CD1 3.88Å; L462-F485 HydrophobicContact CD1-CE1 3.99Å; F465-F485 HydrophobicContact CE1-CD1 4.47Å; F465-F485 HydrophobicContact CE1-CE1 4.47Å; V476-F485 HydrophobicContact CG1-CE1 3.72Å; V476-F485 HydrophobicContact CG1-CZ 3.88Å; A480-F485 HydrophobicContact CB-CZ 4.39Å; A480-F485 WeakPolarHBondContact O-CE2 3.48Å; L483-F485 HydrophobicContact CB-CD2 4.23Å; L483-F485 HydrophobicContact CB-CE2 3.64Å; L483-F485 HydrophobicContact CB-CZ 3.93Å; L483-F485 HydrophobicContact CD1-CZ 4.12Å; L483-F485 WeakPolarHBondContact O-CD2 3.41Å; L483-F485 PolarHBondContact O-N 3.39Å; F485-V489 HydrophobicContact CB-CB 4.42Å; F485-V489 HydrophobicContact CB-CG1 4.44Å; F485-V489 HydrophobicContact CD1-CG1 4.32Å; F485-V490 HydrophobicContact CB-CG2 3.99Å; F485-F508 HydrophobicContact CE1-CE2 4.3Å; F485-F508 AromaticContact CE1-CZ 3.9Å; F485-F508 HydrophobicContact CE1-CZ 3.9Å; F485-F508 HydrophobicContact CZ-CE2 4.01Å; F485-F508 HydrophobicContact CZ-CZ 4Å; F485-V512 HydrophobicContact CD2-CB 4.41Å; F485-V512 HydrophobicContact CD2-CG1 3.75Å; F485-V512 HydrophobicContact CD2-CG2 3.91Å; F485-V512 HydrophobicContact CE2-CB 4.47Å; F485-V512 HydrophobicContact CE2-CG1 4.29Å; F485-V512 HydrophobicContact CE2-CG2 3.6Å; F485-V512 HydrophobicContact CG-CG1 4.22Å; F485-V512 HydrophobicContact CZ-CG2 3.99Å | ||
| 486 | P | 95.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | trans | -53.7 | 142.7 | 169.2 | -23.9 | 33.4 | 0 | 0 | 0 | 111.9 | D461 F465 S488 V489 V490 | D461-P486 HydrophobicContact CB-CB 4.02Å; D461-P486 HydrophobicContact CB-CG 4.24Å; F465-P486 HydrophobicContact CB-CG 3.88Å; F465-P486 HydrophobicContact CD2-CG 4.41Å; F465-P486 HydrophobicContact CG-CG 4.26Å; P486-S488 PolarHBondContact O-N 2.92Å; P486-V489 HydrophobicContact CB-CG2 4.16Å; P486-V489 HydrophobicContact CG-CG2 4.26Å; P486-V489 WeakPolarHBondContact O-CB 3.06Å; P486-V489 PolarHBondContact O-N 2.54Å; P486-V490 PolarHBondContact O-N 3.32Å | ||
| 487 | Q | 94.2 | Very high | 94.6 | Very high | 141 Ų | 141 | 52.2 Ų | 52.2 | 66% | 0.659 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.2 | -40.2 | -178.4 | 178.8 | 174.3 | -0.3 | 0 | 0 | 112.6 | V489 V490 E491 | Q487-V489 VanDerWaalsContact C-N 3.29Å; Q487-V489 PolarHBondContact O-N 3.07Å; Q487-V490 PolarHBondContact O-N 3.42Å; Q487-E491 HydrophobicContact CG-CG 4.14Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.05Å; Q487-E491 PolarHBondContact NE2-OE1 3.13Å; Q487-E491 WeakPolarHBondContact O-CB 3.28Å; Q487-E491 WeakPolarHBondContact O-CG 3.14Å; Q487-E491 PolarHBondContact O-N 3.43Å |
| 488 | S | 93.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 49 Ų | 49 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -37.7 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | D461 P486 F492 | D461-S488 WeakPolarHBondContact CB-OG 3.29Å; D461-S488 WeakPolarHBondContact OD2-CB 3.39Å; D461-S488 PolarHBondContact OD2-OG 3.31Å; P486-S488 PolarHBondContact O-N 2.92Å; S488-F492 WeakPolarHBondContact O-CB 3.31Å; S488-F492 PolarHBondContact O-N 3.3Å |
| 489 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.8 | -44 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L446 I458 L462 F485 P486 Q487 F492 L493 | L446-V489 HydrophobicContact CD2-CG1 4.11Å; I458-V489 HydrophobicContact CG2-CG2 4.15Å; L462-V489 HydrophobicContact CB-CG2 3.82Å; F485-V489 HydrophobicContact CB-CB 4.42Å; F485-V489 HydrophobicContact CB-CG1 4.44Å; F485-V489 HydrophobicContact CD1-CG1 4.32Å; P486-V489 HydrophobicContact CB-CG2 4.16Å; P486-V489 HydrophobicContact CG-CG2 4.26Å; P486-V489 WeakPolarHBondContact O-CB 3.06Å; P486-V489 PolarHBondContact O-N 2.54Å; Q487-V489 VanDerWaalsContact C-N 3.29Å; Q487-V489 PolarHBondContact O-N 3.07Å; V489-F492 PolarHBondContact O-N 3.09Å; V489-L493 HydrophobicContact CG1-CD1 4.1Å; V489-L493 VanDerWaalsContact O-CG 3.3Å; V489-L493 WeakPolarHBondContact O-CG 3.44Å; V489-L493 PolarHBondContact O-N 3.32Å |
| 490 | V | 96.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -49.7 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | F485 P486 Q487 F492 L493 Q494 V512 L513 L516 | F485-V490 HydrophobicContact CB-CG2 3.99Å; P486-V490 PolarHBondContact O-N 3.32Å; Q487-V490 PolarHBondContact O-N 3.42Å; V490-F492 VanDerWaalsContact C-N 3.34Å; V490-F492 PolarHBondContact O-N 2.88Å; V490-L493 PolarHBondContact O-N 3.41Å; V490-L493 VanDerWaalsContact O-N 3.12Å; V490-Q494 HydrophobicContact CG1-CG 4.42Å; V490-Q494 WeakPolarHBondContact O-CG 3.47Å; V490-Q494 PolarHBondContact O-N 3.39Å; V490-V512 HydrophobicContact CG2-CG1 4.29Å; V490-L513 HydrophobicContact CG1-CD2 4.11Å; V490-L516 HydrophobicContact CG1-CD1 3.68Å |
| 491 | E | 94.1 | Very high | 94.2 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 33% | 0.327 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -40 | 179.9 | -74.1 | 174.5 | 172.7 | 0 | 0 | 112.4 | Q487 Q494 G495 Y496 | Q487-E491 HydrophobicContact CG-CG 4.14Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.05Å; Q487-E491 PolarHBondContact NE2-OE1 3.13Å; Q487-E491 WeakPolarHBondContact O-CB 3.28Å; Q487-E491 WeakPolarHBondContact O-CG 3.14Å; Q487-E491 PolarHBondContact O-N 3.43Å; E491-Q494 PolarHBondContact O-N 3.04Å; E491-G495 PolarHBondContact O-N 3.16Å; E491-Y496 HydrophobicContact CB-CD2 3.99Å; E491-Y496 HydrophobicContact CB-CG 4.42Å; E491-Y496 HydrophobicContact CG-CD2 4.14Å; E491-Y496 WeakPolarHBondContact O-CB 3.45Å; E491-Y496 WeakPolarHBondContact O-CD2 3.32Å; E491-Y496 PolarHBondContact O-N 3.35Å |
| 492 | F | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.8 | -52.5 | 170.7 | 164.1 | -107.8 | 0 | 0 | 0 | 111.3 | L225 L446 L449 I458 S488 V489 V490 Q494 G495 P500 F504 | L225-F492 HydrophobicContact CD1-CE2 4.13Å; L225-F492 HydrophobicContact CD2-CE2 4.38Å; L446-F492 HydrophobicContact CB-CE1 4.22Å; L446-F492 HydrophobicContact CD2-CD1 4.02Å; L446-F492 HydrophobicContact CD2-CE1 3.93Å; L449-F492 HydrophobicContact CD1-CE1 4.07Å; L449-F492 HydrophobicContact CD1-CE2 4.01Å; L449-F492 HydrophobicContact CD1-CZ 3.67Å; L449-F492 HydrophobicContact CD2-CE2 4.32Å; L449-F492 HydrophobicContact CD2-CZ 3.79Å; L449-F492 HydrophobicContact CG-CZ 4.36Å; I458-F492 HydrophobicContact CD1-CB 3.77Å; I458-F492 HydrophobicContact CD1-CD2 4.46Å; I458-F492 HydrophobicContact CD1-CG 4.34Å; I458-F492 HydrophobicContact CG1-CB 4.39Å; I458-F492 HydrophobicContact CG2-CB 3.92Å; I458-F492 HydrophobicContact CG2-CD1 4.35Å; I458-F492 HydrophobicContact CG2-CG 4.19Å; S488-F492 WeakPolarHBondContact O-CB 3.31Å; S488-F492 PolarHBondContact O-N 3.3Å; V489-F492 PolarHBondContact O-N 3.09Å; V490-F492 VanDerWaalsContact C-N 3.34Å; V490-F492 PolarHBondContact O-N 2.88Å; F492-Q494 PolarHBondContact O-N 2.89Å; F492-G495 WeakPolarHBondContact O-CA 3.44Å; F492-G495 PolarHBondContact O-N 2.7Å; F492-P500 HydrophobicContact CE2-CG 4.32Å; F492-P500 HydrophobicContact CZ-CB 4.46Å; F492-P500 HydrophobicContact CZ-CG 4.08Å; F492-F504 HydrophobicContact CD2-CE1 4.37Å; F492-F504 HydrophobicContact CE1-CD1 4.25Å; F492-F504 HydrophobicContact CE1-CE1 4.36Å; F492-F504 HydrophobicContact CE2-CD1 4.48Å; F492-F504 AromaticContact CE2-CE1 3.93Å; F492-F504 HydrophobicContact CE2-CE1 3.93Å; F492-F504 AromaticContact CZ-CD1 4Å; F492-F504 HydrophobicContact CZ-CD1 4Å; F492-F504 AromaticContact CZ-CE1 3.91Å; F492-F504 HydrophobicContact CZ-CE1 3.91Å; F492-F504 WeakPolarHBondContact O-CE1 3.16Å |
| 493 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -31.4 | -179.4 | -70.3 | 172.1 | 0 | 0 | 0 | 112 | L446 V489 V490 G495 F504 F508 R509 V512 L513 | L446-L493 HydrophobicContact CD2-CD2 4.5Å; V489-L493 HydrophobicContact CG1-CD1 4.1Å; V489-L493 VanDerWaalsContact O-CG 3.3Å; V489-L493 WeakPolarHBondContact O-CG 3.44Å; V489-L493 PolarHBondContact O-N 3.32Å; V490-L493 PolarHBondContact O-N 3.41Å; V490-L493 VanDerWaalsContact O-N 3.12Å; L493-G495 PolarHBondContact O-N 3.39Å; L493-F504 HydrophobicContact CD2-CD1 4.44Å; L493-F508 HydrophobicContact CD1-CD1 4.38Å; L493-F508 HydrophobicContact CD1-CE1 3.98Å; L493-F508 HydrophobicContact CD2-CD1 4.39Å; L493-R509 HydrophobicContact CB-CG 4.24Å; L493-R509 HydrophobicContact CD2-CB 4.06Å; L493-R509 HydrophobicContact CD2-CG 4.24Å; L493-R509 PolarHBondContact O-NE 3.06Å; L493-R509 PolarHBondContact O-NH2 3.21Å; L493-V512 HydrophobicContact CD1-CB 3.73Å; L493-V512 HydrophobicContact CD1-CG1 3.64Å; L493-V512 HydrophobicContact CD1-CG2 3.93Å; L493-L513 HydrophobicContact CB-CD1 4.41Å; L493-L513 HydrophobicContact CB-CD2 3.9Å; L493-L513 HydrophobicContact CB-CG 4.18Å; L493-L513 WeakPolarHBondContact O-CD1 3.49Å |
| 494 | Q | 95.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -24.1 | 172.3 | -70.1 | -177 | -78.4 | 0 | 0 | 112.5 | V490 E491 F492 Y496 L513 P517 I519 | V490-Q494 HydrophobicContact CG1-CG 4.42Å; V490-Q494 WeakPolarHBondContact O-CG 3.47Å; V490-Q494 PolarHBondContact O-N 3.39Å; E491-Q494 PolarHBondContact O-N 3.04Å; F492-Q494 PolarHBondContact O-N 2.89Å; Q494-Y496 HydrophobicContact CB-CD2 3.7Å; Q494-Y496 HydrophobicContact CB-CE2 3.84Å; Q494-Y496 HydrophobicContact CG-CE2 4.42Å; Q494-L513 HydrophobicContact CG-CD1 4.21Å; Q494-L513 HydrophobicContact CG-CD2 3.51Å; Q494-P517 VanDerWaalsContact CG-O 3.3Å; Q494-P517 WeakPolarHBondContact CG-O 3.5Å; Q494-P517 PolarHBondContact NE2-O 3.36Å; Q494-I519 PolarHBondContact O-N 2.93Å |
| 495 | G | 93.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | 10.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E491 F492 L493 V497 G498 P523 | E491-G495 PolarHBondContact O-N 3.16Å; F492-G495 WeakPolarHBondContact O-CA 3.44Å; F492-G495 PolarHBondContact O-N 2.7Å; L493-G495 PolarHBondContact O-N 3.39Å; G495-V497 PolarHBondContact O-N 2.78Å; G495-G498 PolarHBondContact O-N 3.27Å; G495-G498 VanDerWaalsContact O-N 3.13Å; G495-P523 WeakPolarHBondContact O-CG 3.33Å |
| 496 | Y | 90.9 | Very high | 94.2 | Very high | 107 Ų | 107 | 39.4 Ų | 39.4 | 42% | 0.42 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.3 | -177.6 | -80.6 | -81.6 | 0 | 0 | 0 | 114.7 | N198 E491 Q494 I519 | N198-Y496 PolarHBondContact ND2-O 2.77Å; E491-Y496 HydrophobicContact CB-CD2 3.99Å; E491-Y496 HydrophobicContact CB-CG 4.42Å; E491-Y496 HydrophobicContact CG-CD2 4.14Å; E491-Y496 WeakPolarHBondContact O-CB 3.45Å; E491-Y496 WeakPolarHBondContact O-CD2 3.32Å; E491-Y496 PolarHBondContact O-N 3.35Å; Q494-Y496 HydrophobicContact CB-CD2 3.7Å; Q494-Y496 HydrophobicContact CB-CE2 3.84Å; Q494-Y496 HydrophobicContact CG-CE2 4.42Å; Y496-I519 HydrophobicContact CD1-CD1 3.33Å; Y496-I519 HydrophobicContact CD2-CD1 3.81Å; Y496-I519 HydrophobicContact CE1-CD1 3.41Å; Y496-I519 VanDerWaalsContact CE1-CD1 3.41Å; Y496-I519 HydrophobicContact CE2-CD1 3.87Å; Y496-I519 HydrophobicContact CG-CD1 3.54Å |
| 497 | V | 89.2 | Confident | 94.3 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -16.7 | 178.7 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | S224 L225 N230 P454 I458 G495 | S224-V497 VanDerWaalsContact OG-CG1 3.26Å; S224-V497 WeakPolarHBondContact OG-CG1 3.36Å; L225-V497 HydrophobicContact CD1-CG1 4.22Å; L225-V497 HydrophobicContact CG-CG1 4.48Å; N230-V497 PolarHBondContact ND2-O 3.09Å; P454-V497 HydrophobicContact CG-CG1 4.07Å; P454-V497 HydrophobicContact CG-CG2 4.4Å; I458-V497 HydrophobicContact CD1-CG2 3.93Å; G495-V497 PolarHBondContact O-N 2.78Å |
| 498 | G | 91.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 122.4 | -175.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G495 F504 | G495-G498 PolarHBondContact O-N 3.27Å; G495-G498 VanDerWaalsContact O-N 3.13Å; G498-F504 WeakPolarHBondContact O-CZ 3.07Å | ||
| 499 | I | 93.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 29% | 0.292 | 21% | 0.209 | S | C | . | . | trans | -105.1 | 122.5 | -177.3 | -56 | 177.4 | 0 | 0 | 0 | 108.7 | Y227 F504 | Y227-I499 HydrophobicContact CD2-CB 4.06Å; Y227-I499 WeakPolarHBondContact CD2-O 3.39Å; Y227-I499 HydrophobicContact CE2-CB 3.8Å; Y227-I499 HydrophobicContact CE2-CD1 4.21Å; Y227-I499 HydrophobicContact CE2-CG1 4.12Å; I499-F504 HydrophobicContact CG1-CE2 4.44Å; I499-F504 HydrophobicContact CG2-CE2 4.32Å | ||
| 500 | P | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | trans | -68.8 | 151.4 | 178.6 | 29.9 | -36.2 | 0 | 0 | 0 | 111.4 | L225 L449 F492 G502 G503 F504 | L225-P500 HydrophobicContact CD1-CB 4.43Å; L225-P500 HydrophobicContact CD2-CB 4.47Å; L449-P500 HydrophobicContact CD2-CB 3.64Å; L449-P500 HydrophobicContact CD2-CG 4.39Å; F492-P500 HydrophobicContact CE2-CG 4.32Å; F492-P500 HydrophobicContact CZ-CB 4.46Å; F492-P500 HydrophobicContact CZ-CG 4.08Å; P500-G502 PolarHBondContact O-N 2.8Å; P500-G503 WeakPolarHBondContact CG-O 3.18Å; P500-G503 PolarHBondContact O-N 3.18Å; P500-F504 HydrophobicContact CG-CD1 3.95Å; P500-F504 HydrophobicContact CG-CE1 4.04Å; P500-F504 HydrophobicContact CG-CG 4.29Å; P500-F504 HydrophobicContact CG-CZ 4.46Å | ||
| 501 | H | 94.9 | Very high | 94.6 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 130.2 | 172.6 | -175 | 66.1 | 0 | 0 | 0 | 110.7 | K262 Y263 Y267 G503 | K262-H501 WeakPolarHBondContact CE-O 3.29Å; K262-H501 PolarHBondContact NZ-O 2.78Å; Y263-H501 HydrophobicContact CE1-CB 4.17Å; Y267-H501 AromaticContact CD2-CE1 3.72Å; Y267-H501 AromaticContact CD2-ND1 4Å; Y267-H501 AromaticContact CD2-NE2 3.75Å; Y267-H501 HydrophobicContact CE2-CB 4.29Å; Y267-H501 AromaticContact CE2-CD2 3.93Å; Y267-H501 AromaticContact CE2-CE1 3.87Å; Y267-H501 AromaticContact CE2-CG 3.69Å; Y267-H501 AromaticContact CE2-ND1 3.65Å; H501-G503 VanDerWaalsContact C-N 3.31Å |
| 502 | G | 93.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 76% | 0.763 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 0.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P500 | P500-G502 PolarHBondContact O-N 2.8Š|
| 503 | G | 94.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 32% | 0.32 | 22% | 0.218 | S | C | . | . | trans | 80.4 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P500 H501 | P500-G503 WeakPolarHBondContact CG-O 3.18Å; P500-G503 PolarHBondContact O-N 3.18Å; H501-G503 VanDerWaalsContact C-N 3.31Å | ||
| 504 | F | 96.1 | Very high | 94.7 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | trans | -78.5 | 149.4 | -179.8 | -64.9 | -81.3 | 0 | 0 | 0 | 111.8 | F492 L493 G498 I499 P500 E506 R509 | F492-F504 HydrophobicContact CD2-CE1 4.37Å; F492-F504 HydrophobicContact CE1-CD1 4.25Å; F492-F504 HydrophobicContact CE1-CE1 4.36Å; F492-F504 HydrophobicContact CE2-CD1 4.48Å; F492-F504 AromaticContact CE2-CE1 3.93Å; F492-F504 HydrophobicContact CE2-CE1 3.93Å; F492-F504 AromaticContact CZ-CD1 4Å; F492-F504 HydrophobicContact CZ-CD1 4Å; F492-F504 AromaticContact CZ-CE1 3.91Å; F492-F504 HydrophobicContact CZ-CE1 3.91Å; F492-F504 WeakPolarHBondContact O-CE1 3.16Å; L493-F504 HydrophobicContact CD2-CD1 4.44Å; G498-F504 WeakPolarHBondContact O-CZ 3.07Å; I499-F504 HydrophobicContact CG1-CE2 4.44Å; I499-F504 HydrophobicContact CG2-CE2 4.32Å; P500-F504 HydrophobicContact CG-CD1 3.95Å; P500-F504 HydrophobicContact CG-CE1 4.04Å; P500-F504 HydrophobicContact CG-CG 4.29Å; P500-F504 HydrophobicContact CG-CZ 4.46Å; F504-E506 PolarHBondContact O-N 3.23Å; F504-R509 HydrophobicContact CB-CB 4.32Å; F504-R509 HydrophobicContact CB-CG 4.39Å | ||
| 505 | P | 95.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -68.8 | 118.1 | 177.4 | 28.7 | -35.4 | 0 | 0 | 0 | 111.1 | L445 F508 R509 | L445-P505 WeakPolarHBondContact O-CG 3.27Å; P505-F508 HydrophobicContact CB-CB 4.39Å; P505-F508 HydrophobicContact CG-CD1 4.13Å; P505-F508 PolarHBondContact O-N 3.45Å; P505-R509 WeakPolarHBondContact O-CB 3.27Å; P505-R509 PolarHBondContact O-N 2.83Å | ||
| 506 | E | 95.4 | Very high | 94.6 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 144.7 | 171.8 | -67.5 | -69.3 | -176.1 | 0 | 0 | 110 | F504 F508 R509 S510 R518 | F504-E506 PolarHBondContact O-N 3.23Å; E506-F508 VanDerWaalsContact C-N 3.33Å; E506-R509 WeakPolarHBondContact OE1-CD 3.25Å; E506-S510 VanDerWaalsContact CD-OG 3.22Å; E506-S510 PolarHBondContact OE1-OG 3.12Å; E506-S510 VanDerWaalsContact OE1-OG 3.12Å; E506-S510 WeakPolarHBondContact OE2-CB 3.46Å; E506-S510 PolarHBondContact OE2-N 2.84Å; E506-S510 PolarHBondContact OE2-OG 2.68Å; E506-R518 IonicContact OE1-NH1 2.65Å |
| 507 | P | 95.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.7 | 5.4 | 6 | 34.9 | -36.9 | 0 | 0 | 0 | 114.6 | R509 S510 K511 | P507-R509 PolarHBondContact O-N 3.31Å; P507-S510 PolarHBondContact O-N 3.03Å; P507-K511 PolarHBondContact O-N 2.74Å |
| 508 | F | 96.8 | Very high | 95 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56 | -51.5 | -175.2 | -178.2 | -108 | 0 | 0 | 0 | 112.4 | L446 V476 A480 F485 L493 P505 E506 S510 K511 V512 | L446-F508 HydrophobicContact CD2-CE1 4.15Å; V476-F508 HydrophobicContact CG1-CE2 3.85Å; V476-F508 HydrophobicContact CG1-CZ 4.21Å; A480-F508 HydrophobicContact CB-CD2 3.73Å; A480-F508 HydrophobicContact CB-CE2 3.72Å; F485-F508 HydrophobicContact CE1-CE2 4.3Å; F485-F508 AromaticContact CE1-CZ 3.9Å; F485-F508 HydrophobicContact CE1-CZ 3.9Å; F485-F508 HydrophobicContact CZ-CE2 4.01Å; F485-F508 HydrophobicContact CZ-CZ 4Å; L493-F508 HydrophobicContact CD1-CD1 4.38Å; L493-F508 HydrophobicContact CD1-CE1 3.98Å; L493-F508 HydrophobicContact CD2-CD1 4.39Å; P505-F508 HydrophobicContact CB-CB 4.39Å; P505-F508 HydrophobicContact CG-CD1 4.13Å; P505-F508 PolarHBondContact O-N 3.45Å; E506-F508 VanDerWaalsContact C-N 3.33Å; F508-S510 VanDerWaalsContact C-N 3.34Å; F508-S510 PolarHBondContact O-N 3.08Å; F508-K511 PolarHBondContact O-N 2.85Å; F508-V512 HydrophobicContact CD1-CG2 4.39Å; F508-V512 HydrophobicContact CD2-CG2 4.28Å; F508-V512 HydrophobicContact CE1-CG2 4.02Å; F508-V512 HydrophobicContact CE2-CG2 3.88Å; F508-V512 HydrophobicContact CZ-CG2 3.75Å; F508-V512 WeakPolarHBondContact O-CG2 3.22Å; F508-V512 PolarHBondContact O-N 2.87Å |
| 509 | R | 96.8 | Very high | 95 | Very high | 31 Ų | 31 | 58 Ų | 58 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.7 | -49.9 | 175.4 | 179.5 | -169.1 | -170.4 | -162.8 | 6.7 | 111.3 | L493 F504 P505 E506 P507 K511 V512 L513 | L493-R509 HydrophobicContact CB-CG 4.24Å; L493-R509 HydrophobicContact CD2-CB 4.06Å; L493-R509 HydrophobicContact CD2-CG 4.24Å; L493-R509 PolarHBondContact O-NE 3.06Å; L493-R509 PolarHBondContact O-NH2 3.21Å; F504-R509 HydrophobicContact CB-CB 4.32Å; F504-R509 HydrophobicContact CB-CG 4.39Å; P505-R509 WeakPolarHBondContact O-CB 3.27Å; P505-R509 PolarHBondContact O-N 2.83Å; E506-R509 WeakPolarHBondContact OE1-CD 3.25Å; P507-R509 PolarHBondContact O-N 3.31Å; R509-K511 VanDerWaalsContact C-N 3.33Å; R509-K511 PolarHBondContact O-N 2.95Å; R509-V512 PolarHBondContact O-N 2.9Å; R509-L513 HydrophobicContact CG-CD1 3.75Å; R509-L513 HydrophobicContact CG-CG 4.16Å; R509-L513 WeakPolarHBondContact O-CB 3.42Å; R509-L513 WeakPolarHBondContact O-CG 3.35Å; R509-L513 PolarHBondContact O-N 3.14Å |
| 510 | S | 96.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | -178.2 | -67.8 | 0 | 0 | 0 | 0 | 113 | E506 P507 F508 K514 R518 | E506-S510 VanDerWaalsContact CD-OG 3.22Å; E506-S510 PolarHBondContact OE1-OG 3.12Å; E506-S510 VanDerWaalsContact OE1-OG 3.12Å; E506-S510 WeakPolarHBondContact OE2-CB 3.46Å; E506-S510 PolarHBondContact OE2-N 2.84Å; E506-S510 PolarHBondContact OE2-OG 2.68Å; P507-S510 PolarHBondContact O-N 3.03Å; F508-S510 VanDerWaalsContact C-N 3.34Å; F508-S510 PolarHBondContact O-N 3.08Å; S510-K514 PolarHBondContact O-N 3.33Å; S510-R518 PolarHBondContact OG-NH2 3.25Å |
| 511 | K | 96.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.6 | -74 | -172.4 | 175.2 | -170.1 | 0 | 112.8 | E477 E478 A480 D481 P507 F508 R509 K514 | E477-K511 PolarHBondContact O-NZ 3.24Å; E478-K511 PolarHBondContact O-NZ 3.36Å; A480-K511 HydrophobicContact CB-CB 3.71Å; A480-K511 HydrophobicContact CB-CD 3.87Å; A480-K511 HydrophobicContact CB-CG 4.5Å; D481-K511 HydrophobicContact CB-CB 4.24Å; P507-K511 PolarHBondContact O-N 2.74Å; F508-K511 PolarHBondContact O-N 2.85Å; R509-K511 VanDerWaalsContact C-N 3.33Å; R509-K511 PolarHBondContact O-N 2.95Å; K511-K514 VanDerWaalsContact O-CG 3.26Å; K511-K514 WeakPolarHBondContact O-CG 3.49Å |
| 512 | V | 96.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 9% | 0.085 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.7 | -45.7 | -179.3 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | A480 F485 V490 L493 F508 R509 | A480-V512 HydrophobicContact CB-CG2 4.1Å; F485-V512 HydrophobicContact CD2-CB 4.41Å; F485-V512 HydrophobicContact CD2-CG1 3.75Å; F485-V512 HydrophobicContact CD2-CG2 3.91Å; F485-V512 HydrophobicContact CE2-CB 4.47Å; F485-V512 HydrophobicContact CE2-CG1 4.29Å; F485-V512 HydrophobicContact CE2-CG2 3.6Å; F485-V512 HydrophobicContact CG-CG1 4.22Å; F485-V512 HydrophobicContact CZ-CG2 3.99Å; V490-V512 HydrophobicContact CG2-CG1 4.29Å; L493-V512 HydrophobicContact CD1-CB 3.73Å; L493-V512 HydrophobicContact CD1-CG1 3.64Å; L493-V512 HydrophobicContact CD1-CG2 3.93Å; F508-V512 HydrophobicContact CD1-CG2 4.39Å; F508-V512 HydrophobicContact CD2-CG2 4.28Å; F508-V512 HydrophobicContact CE1-CG2 4.02Å; F508-V512 HydrophobicContact CE2-CG2 3.88Å; F508-V512 HydrophobicContact CZ-CG2 3.75Å; F508-V512 WeakPolarHBondContact O-CG2 3.22Å; F508-V512 PolarHBondContact O-N 2.87Å; R509-V512 PolarHBondContact O-N 2.9Å |
| 513 | L | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.1 | -33.4 | -175.3 | -64.4 | -170.8 | 0 | 0 | 0 | 113.1 | V490 L493 Q494 R509 S515 L516 R518 | V490-L513 HydrophobicContact CG1-CD2 4.11Å; L493-L513 HydrophobicContact CB-CD1 4.41Å; L493-L513 HydrophobicContact CB-CD2 3.9Å; L493-L513 HydrophobicContact CB-CG 4.18Å; L493-L513 WeakPolarHBondContact O-CD1 3.49Å; Q494-L513 HydrophobicContact CG-CD1 4.21Å; Q494-L513 HydrophobicContact CG-CD2 3.51Å; R509-L513 HydrophobicContact CG-CD1 3.75Å; R509-L513 HydrophobicContact CG-CG 4.16Å; R509-L513 WeakPolarHBondContact O-CB 3.42Å; R509-L513 WeakPolarHBondContact O-CG 3.35Å; R509-L513 PolarHBondContact O-N 3.14Å; L513-S515 PolarHBondContact O-N 2.86Å; L513-L516 HydrophobicContact CB-CB 4.3Å; L513-L516 HydrophobicContact CD2-CB 4.46Å; L513-L516 HydrophobicContact CD2-CD1 4.35Å; L513-L516 WeakPolarHBondContact O-CB 3.39Å; L513-L516 VanDerWaalsContact O-CG 3.25Å; L513-L516 WeakPolarHBondContact O-CG 3.29Å; L513-L516 PolarHBondContact O-N 2.8Å; L513-R518 HydrophobicContact CD1-CG 3.88Å |
| 514 | K | 93.9 | Very high | 93.6 | Very high | 131 Ų | 131 | 58.5 Ų | 58.5 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -111.5 | -173.2 | -52.1 | 173.8 | -175.9 | 173.6 | 0 | 110.1 | D481 S510 K511 | D481-K514 WeakPolarHBondContact O-CE 3.45Å; D481-K514 PolarHBondContact O-NZ 3.21Å; S510-K514 PolarHBondContact O-N 3.33Å; K511-K514 VanDerWaalsContact O-CG 3.26Å; K511-K514 WeakPolarHBondContact O-CG 3.49Å |
| 515 | S | 93 | Very high | 93.3 | Very high | 121 Ų | 121 | 60 Ų | 60 | 85% | 0.846 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 6.3 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 114.5 | L513 | L513-S515 PolarHBondContact O-N 2.86Š|
| 516 | L | 94.2 | Very high | 92.9 | Very high | 77 Ų | 77 | 63.5 Ų | 63.5 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -63.3 | 145.2 | 176.5 | -69.8 | 176.4 | 0 | 0 | 0 | 110.9 | V490 L513 | V490-L516 HydrophobicContact CG1-CD1 3.68Å; L513-L516 HydrophobicContact CB-CB 4.3Å; L513-L516 HydrophobicContact CD2-CB 4.46Å; L513-L516 HydrophobicContact CD2-CD1 4.35Å; L513-L516 WeakPolarHBondContact O-CB 3.39Å; L513-L516 VanDerWaalsContact O-CG 3.25Å; L513-L516 WeakPolarHBondContact O-CG 3.29Å; L513-L516 PolarHBondContact O-N 2.8Å |
| 517 | P | 92.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | trans | -63.9 | 145.9 | -177.7 | 26 | -33.3 | 0 | 0 | 0 | 111.1 | Q494 | Q494-P517 VanDerWaalsContact CG-O 3.3Å; Q494-P517 WeakPolarHBondContact CG-O 3.5Å; Q494-P517 PolarHBondContact NE2-O 3.36Å | ||
| 518 | R | 94.1 | Very high | 92.7 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 42% | 0.415 | 36% | 0.357 | S | S | . | . | trans | -113.1 | 139.9 | 176.8 | -61.1 | 176.1 | -172.9 | -160.2 | -3 | 108.4 | E506 S510 L513 | E506-R518 IonicContact OE1-NH1 2.65Å; S510-R518 PolarHBondContact OG-NH2 3.25Å; L513-R518 HydrophobicContact CD1-CG 3.88Å | ||
| 519 | I | 90.9 | Very high | 92.7 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | trans | -94.6 | 131.1 | 174.2 | -62.1 | 172.5 | 0 | 0 | 0 | 107.9 | Q494 Y496 P523 | Q494-I519 PolarHBondContact O-N 2.93Å; Y496-I519 HydrophobicContact CD1-CD1 3.33Å; Y496-I519 HydrophobicContact CD2-CD1 3.81Å; Y496-I519 HydrophobicContact CE1-CD1 3.41Å; Y496-I519 VanDerWaalsContact CE1-CD1 3.41Å; Y496-I519 HydrophobicContact CE2-CD1 3.87Å; Y496-I519 HydrophobicContact CG-CD1 3.54Å; I519-P523 HydrophobicContact CD1-CB 4.31Å; I519-P523 HydrophobicContact CG2-CB 4.19Å; I519-P523 HydrophobicContact CG2-CG 4.08Å | ||
| 520 | E | 86.3 | Confident | 92.7 | Very high | 182 Ų | 182 | 68.4 Ų | 68.4 | 85% | 0.85 | 39% | 0.392 | S | S | * | . | trans | -106.7 | 137 | 171.4 | -63.9 | -171.5 | 171.5 | 0 | 0 | 109.5 | ||||
| 521 | G | 88.1 | Confident | 92.7 | Very high | 30 Ų | 30 | 71.2 Ų | 71.2 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 71.2 | -150.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 522 | R | 92.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 70.1 Ų | 70.1 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | trans | -80.4 | 122.2 | -176.6 | -178.2 | 167.4 | 68.1 | 72.1 | 2.5 | 111 | D201 N230 G524 A525 | D201-R522 IonicContact OD1-CZ 2.78Å; D201-R522 IonicContact OD1-NH1 3.9Å; D201-R522 PolarHBondContact OD1-NH1 3.21Å; D201-R522 IonicContact OD1-NH2 3.14Å; D201-R522 PolarHBondContact OD1-NH2 3.44Å; D201-R522 IonicContact OD2-CZ 2.95Å; D201-R522 IonicContact OD2-NH1 2.72Å; D201-R522 IonicContact OD2-NH2 2.99Å; D201-R522 PolarHBondContact OD2-NH2 3.16Å; N230-R522 WeakPolarHBondContact OD1-CD 3.49Å; N230-R522 VanDerWaalsContact OD1-CG 3.26Å; N230-R522 WeakPolarHBondContact OD1-CG 3.34Å; R522-G524 VanDerWaalsContact C-N 3.34Å; R522-G524 PolarHBondContact O-N 3.18Å; R522-A525 HydrophobicContact CB-CB 4.28Å; R522-A525 WeakPolarHBondContact O-CB 3.48Å; R522-A525 PolarHBondContact O-N 2.78Å; R522-A525 VanDerWaalsContact O-N 3.11Å | ||
| 523 | P | 88 | Confident | 92.8 | Very high | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.032 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -59.5 | -40.1 | -173.5 | -26.5 | 35.6 | 0 | 0 | 0 | 114.2 | N198 G495 I519 A525 S526 | N198-P523 HydrophobicContact CB-CB 3.92Å; N198-P523 WeakPolarHBondContact ND2-CB 3.49Å; N198-P523 WeakPolarHBondContact ND2-CG 3.37Å; G495-P523 WeakPolarHBondContact O-CG 3.33Å; I519-P523 HydrophobicContact CD1-CB 4.31Å; I519-P523 HydrophobicContact CG2-CB 4.19Å; I519-P523 HydrophobicContact CG2-CG 4.08Å; P523-A525 VanDerWaalsContact C-N 3.27Å; P523-A525 PolarHBondContact O-N 3.13Å; P523-S526 PolarHBondContact O-OG 3.43Å; P523-S526 VanDerWaalsContact O-OG 3.07Å |
| 524 | G | 89.1 | Confident | 92.8 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.01 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -66.3 | -23.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y199 R522 S526 L527 | Y199-G524 WeakPolarHBondContact O-CA 3.43Å; R522-G524 VanDerWaalsContact C-N 3.34Å; R522-G524 PolarHBondContact O-N 3.18Å; G524-S526 PolarHBondContact O-N 3.34Å; G524-L527 WeakPolarHBondContact O-CB 3.05Å; G524-L527 PolarHBondContact O-N 2.88Å; G524-L527 VanDerWaalsContact O-N 3.12Å |
| 525 | A | 90.2 | Very high | 93 | Very high | 63 Ų | 63 | 75.2 Ų | 75.2 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -66.6 | -24.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R522 P523 | R522-A525 HydrophobicContact CB-CB 4.28Å; R522-A525 WeakPolarHBondContact O-CB 3.48Å; R522-A525 PolarHBondContact O-N 2.78Å; R522-A525 VanDerWaalsContact O-N 3.11Å; P523-A525 VanDerWaalsContact C-N 3.27Å; P523-A525 PolarHBondContact O-N 3.13Å |
| 526 | S | 86.1 | Confident | 93.2 | Very high | 99 Ų | 99 | 72.4 Ų | 72.4 | 69% | 0.692 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -89.4 | -9.5 | 178.9 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | P523 G524 | P523-S526 PolarHBondContact O-OG 3.43Å; P523-S526 VanDerWaalsContact O-OG 3.07Å; G524-S526 PolarHBondContact O-N 3.34Å |
| 527 | L | 91.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -80.4 | 138.6 | -176.9 | -59.3 | 178.7 | 0 | 0 | 0 | 110.3 | P200 G524 | P200-L527 HydrophobicContact CB-CB 4.21Å; P200-L527 HydrophobicContact CG-CB 3.86Å; P200-L527 HydrophobicContact CG-CD1 4.37Å; G524-L527 WeakPolarHBondContact O-CB 3.05Å; G524-L527 PolarHBondContact O-N 2.88Å; G524-L527 VanDerWaalsContact O-N 3.12Å |
| 528 | S | 95.4 | Very high | 93.5 | Very high | 100 Ų | 100 | 70.8 Ų | 70.8 | 70% | 0.699 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 143.4 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | P200 M530 | P200-S528 WeakPolarHBondContact CB-O 3.09Å; P200-S528 WeakPolarHBondContact CG-O 3.41Å; S528-M530 PolarHBondContact O-N 3.06Å |
| 529 | P | 96.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 66.2 Ų | 66.2 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 139.6 | 175.4 | -26.7 | 34.6 | 0 | 0 | 0 | 111.8 | N202 | N202-P529 WeakPolarHBondContact OD1-CA 3.06Š|
| 530 | M | 96.3 | Very high | 93.7 | Very high | 49 Ų | 49 | 68 Ų | 68 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 132.9 | 176.4 | -173.3 | 170.4 | -69.3 | 0 | 0 | 110.7 | P200 N202 A203 S528 F532 L535 A556 | P200-M530 HydrophobicContact CG-CB 4.48Å; N202-M530 PolarHBondContact ND2-N 3.43Å; N202-M530 PolarHBondContact ND2-O 3.33Å; N202-M530 PolarHBondContact OD1-N 3.36Å; A203-M530 HydrophobicContact CB-CE 4.5Å; S528-M530 PolarHBondContact O-N 3.06Å; M530-F532 HydrophobicContact CB-CE1 4.08Å; M530-F532 HydrophobicContact CB-CZ 4.06Å; M530-F532 HydrophobicContact CG-CD1 4.15Å; M530-F532 HydrophobicContact CG-CE1 3.91Å; M530-F532 HydrophobicContact CG-CZ 4.41Å; M530-F532 PolarHBondContact O-N 2.97Å; M530-F532 HydrophobicContact SD-CD1 4.09Å; M530-F532 HydrophobicContact SD-CE1 3.63Å; M530-F532 HydrophobicContact SD-CZ 4.46Å; M530-L535 HydrophobicContact SD-CD2 4.32Å; M530-A556 HydrophobicContact CE-CB 4.2Å; M530-A556 HydrophobicContact SD-CB 3.45Å; M530-A556 WeakPolarHBondContact SD-CB 3.25Å |
| 531 | D | 97.8 | Very high | 94 | Very high | 100 Ų | 100 | 63.6 Ų | 63.6 | 54% | 0.535 | 39% | 0.387 | S | S | . | . | trans | -87.7 | 92.8 | 172.4 | -171.6 | -19.3 | 0 | 0 | 0 | 110.1 | K533 A534 L535 | D531-K533 VanDerWaalsContact C-N 3.27Å; D531-K533 PolarHBondContact O-N 2.76Å; D531-K533 PolarHBondContact OD1-N 3.28Å; D531-K533 VanDerWaalsContact OD1-N 3.11Å; D531-A534 HydrophobicContact CB-CB 4.02Å; D531-A534 VanDerWaalsContact CG-CB 3.46Å; D531-A534 PolarHBondContact OD1-N 2.84Å; D531-L535 PolarHBondContact O-N 3.32Å; D531-L535 VanDerWaalsContact O-N 3.1Å | ||
| 532 | F | 97.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.9 | -29.7 | -179.7 | -59.8 | -65.5 | 0 | 0 | 0 | 113 | N202 A203 K206 M530 L535 E536 V552 M553 | N202-F532 HydrophobicContact CB-CE2 4.46Å; N202-F532 VanDerWaalsContact ND2-CE2 3.29Å; N202-F532 WeakPolarHBondContact ND2-CE2 3.33Å; A203-F532 HydrophobicContact CB-CE1 4.45Å; A203-F532 HydrophobicContact CB-CZ 4.18Å; K206-F532 HydrophobicContact CB-CE2 4.1Å; K206-F532 HydrophobicContact CB-CZ 3.92Å; K206-F532 HydrophobicContact CG-CE2 4.34Å; K206-F532 HydrophobicContact CG-CZ 4.33Å; M530-F532 HydrophobicContact CB-CE1 4.08Å; M530-F532 HydrophobicContact CB-CZ 4.06Å; M530-F532 HydrophobicContact CG-CD1 4.15Å; M530-F532 HydrophobicContact CG-CE1 3.91Å; M530-F532 HydrophobicContact CG-CZ 4.41Å; M530-F532 PolarHBondContact O-N 2.97Å; M530-F532 HydrophobicContact SD-CD1 4.09Å; M530-F532 HydrophobicContact SD-CE1 3.63Å; M530-F532 HydrophobicContact SD-CZ 4.46Å; F532-L535 PolarHBondContact O-N 3.18Å; F532-E536 WeakPolarHBondContact O-CB 3.49Å; F532-E536 PolarHBondContact O-N 3.04Å; F532-V552 HydrophobicContact CB-CG1 4.37Å; F532-V552 HydrophobicContact CD1-CG1 4.27Å; F532-M553 HydrophobicContact CD1-SD 4.46Å; F532-M553 HydrophobicContact CE1-SD 4.06Å |
| 533 | K | 97 | Very high | 93.8 | Very high | 147 Ų | 147 | 66.3 Ų | 66.3 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -71 | -46.7 | -179.9 | -175.2 | 179.6 | 179.3 | -177.3 | 0 | 110.3 | D531 L535 E536 D537 | D531-K533 VanDerWaalsContact C-N 3.27Å; D531-K533 PolarHBondContact O-N 2.76Å; D531-K533 PolarHBondContact OD1-N 3.28Å; D531-K533 VanDerWaalsContact OD1-N 3.11Å; K533-L535 VanDerWaalsContact C-N 3.26Å; K533-L535 PolarHBondContact O-N 3.24Å; K533-E536 PolarHBondContact O-N 3.31Å; K533-D537 WeakPolarHBondContact O-CB 3.36Å; K533-D537 VanDerWaalsContact O-CG 3.29Å; K533-D537 PolarHBondContact O-N 3.15Å |
| 534 | A | 97.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D531 G538 | D531-A534 HydrophobicContact CB-CB 4.02Å; D531-A534 VanDerWaalsContact CG-CB 3.46Å; D531-A534 PolarHBondContact OD1-N 2.84Å; A534-G538 PolarHBondContact O-N 2.99Å |
| 535 | L | 97.4 | Very high | 93.4 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 174.3 | -179.6 | 59 | 0 | 0 | 0 | 111.4 | M530 D531 F532 K533 G538 L539 V552 A555 A556 | M530-L535 HydrophobicContact SD-CD2 4.32Å; D531-L535 PolarHBondContact O-N 3.32Å; D531-L535 VanDerWaalsContact O-N 3.1Å; F532-L535 PolarHBondContact O-N 3.18Å; K533-L535 VanDerWaalsContact C-N 3.26Å; K533-L535 PolarHBondContact O-N 3.24Å; L535-G538 PolarHBondContact O-N 2.72Å; L535-L539 HydrophobicContact CD1-CG 4.41Å; L535-L539 HydrophobicContact CG-CD1 4.37Å; L535-L539 VanDerWaalsContact O-CG 3.31Å; L535-L539 WeakPolarHBondContact O-CG 3.33Å; L535-L539 PolarHBondContact O-N 3.11Å; L535-V552 HydrophobicContact CD2-CG1 3.98Å; L535-V552 HydrophobicContact CG-CG1 4.29Å; L535-A555 HydrophobicContact CD1-CB 4.41Å; L535-A555 HydrophobicContact CD2-CB 4.42Å; L535-A556 HydrophobicContact CD2-CB 3.9Å |
| 536 | E | 97.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 77.5 Ų | 77.5 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.3 | -172.5 | -177.1 | 167.5 | 0 | 0 | 112 | F532 K533 G538 L539 R540 I547 V552 | F532-E536 WeakPolarHBondContact O-CB 3.49Å; F532-E536 PolarHBondContact O-N 3.04Å; K533-E536 PolarHBondContact O-N 3.31Å; E536-G538 VanDerWaalsContact C-N 3.28Å; E536-G538 PolarHBondContact O-N 3.21Å; E536-L539 PolarHBondContact O-N 3.26Å; E536-L539 VanDerWaalsContact O-N 3.12Å; E536-R540 WeakPolarHBondContact O-CG 3.41Å; E536-R540 PolarHBondContact O-N 3.01Å; E536-R540 IonicContact OE1-CZ 2.73Å; E536-R540 VanDerWaalsContact OE1-CZ 3.26Å; E536-R540 IonicContact OE1-NE 3.72Å; E536-R540 PolarHBondContact OE1-NE 3.4Å; E536-R540 IonicContact OE1-NH2 3.29Å; E536-R540 PolarHBondContact OE1-NH2 3.34Å; E536-I547 HydrophobicContact CG-CG2 4.27Å; E536-V552 HydrophobicContact CB-CG2 3.81Å; E536-V552 HydrophobicContact CG-CG2 3.86Å |
| 537 | D | 96.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 73.2 Ų | 73.2 | 47% | 0.465 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 178 | -70.9 | -22.6 | 0 | 0 | 0 | 111.1 | K533 R540 A541 | K533-D537 WeakPolarHBondContact O-CB 3.36Å; K533-D537 VanDerWaalsContact O-CG 3.29Å; K533-D537 PolarHBondContact O-N 3.15Å; D537-R540 PolarHBondContact O-N 3.33Å; D537-A541 WeakPolarHBondContact O-CB 3.49Å; D537-A541 PolarHBondContact O-N 2.94Å |
| 538 | G | 96.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 43% | 0.433 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A534 L535 E536 A541 A542 | A534-G538 PolarHBondContact O-N 2.99Å; L535-G538 PolarHBondContact O-N 2.72Å; E536-G538 VanDerWaalsContact C-N 3.28Å; E536-G538 PolarHBondContact O-N 3.21Å; G538-A541 PolarHBondContact O-N 2.64Å; G538-A542 WeakPolarHBondContact O-CB 3.43Å; G538-A542 PolarHBondContact O-N 2.9Å; G538-A542 VanDerWaalsContact O-N 3.12Å |
| 539 | L | 95.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.9 | -70.3 | 177.7 | 0 | 0 | 0 | 111.8 | L535 E536 A541 A542 H543 I547 V552 A555 F562 | L535-L539 HydrophobicContact CD1-CG 4.41Å; L535-L539 HydrophobicContact CG-CD1 4.37Å; L535-L539 VanDerWaalsContact O-CG 3.31Å; L535-L539 WeakPolarHBondContact O-CG 3.33Å; L535-L539 PolarHBondContact O-N 3.11Å; E536-L539 PolarHBondContact O-N 3.26Å; E536-L539 VanDerWaalsContact O-N 3.12Å; L539-A541 VanDerWaalsContact C-N 3.34Å; L539-A541 PolarHBondContact O-N 3.39Å; L539-A542 PolarHBondContact O-N 2.8Å; L539-H543 WeakPolarHBondContact O-CB 3.45Å; L539-H543 PolarHBondContact O-N 2.83Å; L539-I547 HydrophobicContact CB-CD1 4.04Å; L539-I547 HydrophobicContact CB-CG1 3.97Å; L539-I547 HydrophobicContact CB-CG2 4.11Å; L539-I547 HydrophobicContact CD1-CG2 4.2Å; L539-V552 HydrophobicContact CD1-CG2 4.25Å; L539-A555 HydrophobicContact CD1-CB 3.71Å; L539-A555 HydrophobicContact CD2-CB 4.12Å; L539-A555 HydrophobicContact CG-CB 4.43Å; L539-F562 HydrophobicContact CD1-CE1 4.29Å; L539-F562 HydrophobicContact CD2-CD1 4.22Å; L539-F562 HydrophobicContact CD2-CE1 3.81Å |
| 540 | R | 94.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.5 | -71.8 | 176.3 | 179.6 | -69.9 | -12.3 | 111.4 | E536 D537 A542 G544 D545 I547 | E536-R540 WeakPolarHBondContact O-CG 3.41Å; E536-R540 PolarHBondContact O-N 3.01Å; E536-R540 IonicContact OE1-CZ 2.73Å; E536-R540 VanDerWaalsContact OE1-CZ 3.26Å; E536-R540 IonicContact OE1-NE 3.72Å; E536-R540 PolarHBondContact OE1-NE 3.4Å; E536-R540 IonicContact OE1-NH2 3.29Å; E536-R540 PolarHBondContact OE1-NH2 3.34Å; D537-R540 PolarHBondContact O-N 3.33Å; R540-A542 VanDerWaalsContact C-N 3.31Å; R540-A542 PolarHBondContact O-N 3.08Å; R540-G544 WeakPolarHBondContact CA-O 3.44Å; R540-G544 CarbonylContact O-C 3.53Å; R540-G544 VanDerWaalsContact O-CA 3.26Å; R540-G544 WeakPolarHBondContact O-CA 3.3Å; R540-G544 PolarHBondContact O-N 3.19Å; R540-D545 PolarHBondContact NH1-O 3.07Å; R540-I547 HydrophobicContact CG-CB 4.02Å; R540-I547 HydrophobicContact CG-CG1 4Å; R540-I547 PolarHBondContact NH2-O 3.38Å; R540-I547 VanDerWaalsContact NH2-O 3.11Å |
| 541 | A | 92.4 | Very high | 93.7 | Very high | 91 Ų | 91 | 66 Ų | 66 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.1 | -35.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D537 G538 L539 | D537-A541 WeakPolarHBondContact O-CB 3.49Å; D537-A541 PolarHBondContact O-N 2.94Å; G538-A541 PolarHBondContact O-N 2.64Å; L539-A541 VanDerWaalsContact C-N 3.34Å; L539-A541 PolarHBondContact O-N 3.39Å |
| 542 | A | 89.7 | Confident | 93.7 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 56% | 0.562 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -83.2 | -35.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G538 L539 R540 | G538-A542 WeakPolarHBondContact O-CB 3.43Å; G538-A542 PolarHBondContact O-N 2.9Å; G538-A542 VanDerWaalsContact O-N 3.12Å; L539-A542 PolarHBondContact O-N 2.8Å; R540-A542 VanDerWaalsContact C-N 3.31Å; R540-A542 PolarHBondContact O-N 3.08Å |
| 543 | H | 86.3 | Confident | 93.7 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -124 | -2.8 | -166.6 | -61 | -73.5 | 0 | 0 | 0 | 114.4 | L539 I547 Q563 K566 | L539-H543 WeakPolarHBondContact O-CB 3.45Å; L539-H543 PolarHBondContact O-N 2.83Å; H543-I547 HydrophobicContact CB-CD1 4.11Å; H543-Q563 PolarHBondContact CE1-OE1 3.38Å; H543-Q563 VanDerWaalsContact CE1-OE1 3.28Å; H543-Q563 PolarHBondContact NE2-OE1 3.06Å; H543-K566 VanDerWaalsContact CE1-CB 3.48Å; H543-K566 WeakPolarHBondContact CE1-CB 3.22Å |
| 544 | G | 84.6 | Confident | 93.7 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | trans | 92.8 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R540 D546 | R540-G544 WeakPolarHBondContact CA-O 3.44Å; R540-G544 CarbonylContact O-C 3.53Å; R540-G544 VanDerWaalsContact O-CA 3.26Å; R540-G544 WeakPolarHBondContact O-CA 3.3Å; R540-G544 PolarHBondContact O-N 3.19Å; G544-D546 VanDerWaalsContact C-N 3.26Å; G544-D546 PolarHBondContact O-N 2.99Å | ||
| 545 | D | 82.9 | Confident | 93.6 | Very high | 126 Ų | 126 | 50.2 Ų | 50.2 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -76.6 | -5.7 | -169.8 | -64.3 | -44.2 | 0 | 0 | 0 | 115.1 | R540 I547 | R540-D545 PolarHBondContact NH1-O 3.07Å; D545-I547 PolarHBondContact O-N 3.21Å |
| 546 | D | 85.3 | Confident | 93.5 | Very high | 145 Ų | 145 | 48.1 Ų | 48.1 | 78% | 0.775 | 30% | 0.295 | S | S | * | . | trans | -84.3 | 49.4 | 179.7 | -63.5 | -29.1 | 0 | 0 | 0 | 111.9 | G544 | G544-D546 VanDerWaalsContact C-N 3.26Å; G544-D546 PolarHBondContact O-N 2.99Å | ||
| 547 | I | 93.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | trans | -102.1 | 128.3 | 174.5 | -63.1 | -60.1 | 0 | 0 | 0 | 109.6 | E536 L539 R540 H543 D545 D551 V552 | E536-I547 HydrophobicContact CG-CG2 4.27Å; L539-I547 HydrophobicContact CB-CD1 4.04Å; L539-I547 HydrophobicContact CB-CG1 3.97Å; L539-I547 HydrophobicContact CB-CG2 4.11Å; L539-I547 HydrophobicContact CD1-CG2 4.2Å; R540-I547 HydrophobicContact CG-CB 4.02Å; R540-I547 HydrophobicContact CG-CG1 4Å; R540-I547 PolarHBondContact NH2-O 3.38Å; R540-I547 VanDerWaalsContact NH2-O 3.11Å; H543-I547 HydrophobicContact CB-CD1 4.11Å; D545-I547 PolarHBondContact O-N 3.21Å; I547-D551 HydrophobicContact CD1-CB 4.48Å; I547-D551 HydrophobicContact CG2-CB 4.09Å; I547-V552 HydrophobicContact CG2-CG2 3.92Å | ||
| 548 | T | 95 | Very high | 93.3 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 37% | 0.368 | 26% | 0.262 | S | S | . | . | trans | -106.3 | 165.2 | 179.5 | 78.5 | 0 | 0 | 0 | 0 | 111.7 | E550 D551 V552 | T548-E550 WeakPolarHBondContact CB-OE2 3.22Å; T548-E550 PolarHBondContact O-N 2.75Å; T548-E550 PolarHBondContact OG1-N 3.39Å; T548-E550 PolarHBondContact OG1-OE2 2.9Å; T548-D551 WeakPolarHBondContact O-CB 3.49Å; T548-D551 PolarHBondContact O-N 3.37Å; T548-D551 PolarHBondContact OG1-N 3.06Å; T548-V552 PolarHBondContact O-N 3.09Å | ||
| 549 | P | 94.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 43.9 Ų | 43.9 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.7 | -34.6 | 173 | -26.2 | 36.2 | 0 | 0 | 0 | 113.4 | V552 M553 | P549-V552 PolarHBondContact O-N 3.01Å; P549-M553 WeakPolarHBondContact O-CG 3.38Å; P549-M553 PolarHBondContact O-N 3.29Å |
| 550 | E | 97.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 174.7 | -63.6 | 79.1 | -167.5 | 0 | 0 | 112.5 | W169 V210 N214 T548 M553 S554 | W169-E550 HydrophobicContact CB-CB 3.93Å; W169-E550 HydrophobicContact CB-CG 3.79Å; W169-E550 HydrophobicContact CD2-CB 3.8Å; W169-E550 HydrophobicContact CD2-CG 3.69Å; W169-E550 HydrophobicContact CE3-CB 4.49Å; W169-E550 HydrophobicContact CE3-CG 3.9Å; W169-E550 HydrophobicContact CG-CB 3.52Å; W169-E550 HydrophobicContact CG-CG 3.66Å; W169-E550 PolarHBondContact NE1-O 2.96Å; V210-E550 HydrophobicContact CG1-CG 4.12Å; N214-E550 PolarHBondContact ND2-OE1 3.27Å; N214-E550 PolarHBondContact OD1-OE1 3.49Å; T548-E550 WeakPolarHBondContact CB-OE2 3.22Å; T548-E550 PolarHBondContact O-N 2.75Å; T548-E550 PolarHBondContact OG1-N 3.39Å; T548-E550 PolarHBondContact OG1-OE2 2.9Å; E550-M553 PolarHBondContact O-N 3.09Å; E550-S554 WeakPolarHBondContact O-CB 3.44Å; E550-S554 PolarHBondContact O-N 2.75Å; E550-S554 PolarHBondContact O-OG 3.15Å |
| 551 | D | 97 | Very high | 93.3 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 174.8 | -89.6 | 3.8 | 0 | 0 | 0 | 110.3 | I547 T548 M553 S554 A555 F562 K566 | I547-D551 HydrophobicContact CD1-CB 4.48Å; I547-D551 HydrophobicContact CG2-CB 4.09Å; T548-D551 WeakPolarHBondContact O-CB 3.49Å; T548-D551 PolarHBondContact O-N 3.37Å; T548-D551 PolarHBondContact OG1-N 3.06Å; D551-M553 PolarHBondContact O-N 2.58Å; D551-S554 PolarHBondContact O-N 3.44Å; D551-A555 WeakPolarHBondContact O-CB 3.24Å; D551-A555 PolarHBondContact O-N 2.78Å; D551-F562 HydrophobicContact CB-CE2 3.97Å; D551-F562 HydrophobicContact CB-CZ 3.63Å; D551-F562 WeakPolarHBondContact OD1-CE2 3.37Å; D551-K566 IonicContact OD2-NZ 3.89Å; D551-K566 PolarHBondContact OD2-NZ 3.35Å |
| 552 | V | 97.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | F532 L535 E536 L539 I547 T548 P549 A555 A556 | F532-V552 HydrophobicContact CB-CG1 4.37Å; F532-V552 HydrophobicContact CD1-CG1 4.27Å; L535-V552 HydrophobicContact CD2-CG1 3.98Å; L535-V552 HydrophobicContact CG-CG1 4.29Å; E536-V552 HydrophobicContact CB-CG2 3.81Å; E536-V552 HydrophobicContact CG-CG2 3.86Å; L539-V552 HydrophobicContact CD1-CG2 4.25Å; I547-V552 HydrophobicContact CG2-CG2 3.92Å; T548-V552 PolarHBondContact O-N 3.09Å; P549-V552 PolarHBondContact O-N 3.01Å; V552-A555 PolarHBondContact O-N 2.87Å; V552-A556 WeakPolarHBondContact O-CB 3.37Å; V552-A556 PolarHBondContact O-N 3.08Å |
| 553 | M | 97.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -35.7 | 178.7 | -72.3 | -49.1 | -51.8 | 0 | 0 | 113.1 | W169 K206 F207 V210 F532 P549 E550 D551 A556 M557 | W169-M553 HydrophobicContact CZ2-CB 3.95Å; K206-M553 HydrophobicContact CB-CE 4.43Å; K206-M553 HydrophobicContact CB-SD 3.94Å; K206-M553 HydrophobicContact CG-CG 4.44Å; K206-M553 HydrophobicContact CG-SD 3.52Å; K206-M553 VanDerWaalsContact CG-SD 3.52Å; F207-M553 HydrophobicContact CB-CE 3.71Å; F207-M553 HydrophobicContact CD2-CE 4.12Å; F207-M553 HydrophobicContact CG-CE 4.43Å; V210-M553 HydrophobicContact CB-CG 4.34Å; V210-M553 HydrophobicContact CG2-CG 3.99Å; F532-M553 HydrophobicContact CD1-SD 4.46Å; F532-M553 HydrophobicContact CE1-SD 4.06Å; P549-M553 WeakPolarHBondContact O-CG 3.38Å; P549-M553 PolarHBondContact O-N 3.29Å; E550-M553 PolarHBondContact O-N 3.09Å; D551-M553 PolarHBondContact O-N 2.58Å; M553-A556 HydrophobicContact CE-CB 4.41Å; M553-A556 PolarHBondContact O-N 2.96Å; M553-M557 HydrophobicContact CE-CE 3.45Å; M553-M557 VanDerWaalsContact CE-CE 3.45Å; M553-M557 WeakPolarHBondContact O-CB 3.46Å; M553-M557 VanDerWaalsContact O-CG 3.28Å; M553-M557 WeakPolarHBondContact O-CG 3.31Å; M553-M557 PolarHBondContact O-N 3.46Å |
| 554 | S | 97.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | W169 E550 D551 Y558 F562 | W169-S554 PolarHBondContact NE1-OG 3.12Å; E550-S554 WeakPolarHBondContact O-CB 3.44Å; E550-S554 PolarHBondContact O-N 2.75Å; E550-S554 PolarHBondContact O-OG 3.15Å; D551-S554 PolarHBondContact O-N 3.44Å; S554-Y558 CarbonylContact O-C 3.55Å; S554-Y558 WeakPolarHBondContact O-CA 3.45Å; S554-Y558 PolarHBondContact O-N 2.72Å; S554-F562 VanDerWaalsContact CB-CD2 3.48Å |
| 555 | A | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L535 L539 D551 V552 P559 F562 | L535-A555 HydrophobicContact CD1-CB 4.41Å; L535-A555 HydrophobicContact CD2-CB 4.42Å; L539-A555 HydrophobicContact CD1-CB 3.71Å; L539-A555 HydrophobicContact CD2-CB 4.12Å; L539-A555 HydrophobicContact CG-CB 4.43Å; D551-A555 WeakPolarHBondContact O-CB 3.24Å; D551-A555 PolarHBondContact O-N 2.78Å; V552-A555 PolarHBondContact O-N 2.87Å; A555-P559 WeakPolarHBondContact O-CA 3.44Å; A555-P559 WeakPolarHBondContact O-CB 3.22Å; A555-P559 WeakPolarHBondContact O-CD 3.46Å; A555-P559 WeakPolarHBondContact O-CG 3.29Å; A555-P559 VanDerWaalsContact O-N 3.1Å; A555-F562 HydrophobicContact CB-CB 4.38Å; A555-F562 HydrophobicContact CB-CD1 3.62Å; A555-F562 HydrophobicContact CB-CE1 4.09Å; A555-F562 HydrophobicContact CB-CG 4.02Å |
| 556 | A | 95.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M530 L535 V552 M553 | M530-A556 HydrophobicContact CE-CB 4.2Å; M530-A556 HydrophobicContact SD-CB 3.45Å; M530-A556 WeakPolarHBondContact SD-CB 3.25Å; L535-A556 HydrophobicContact CD2-CB 3.9Å; V552-A556 WeakPolarHBondContact O-CB 3.37Å; V552-A556 PolarHBondContact O-N 3.08Å; M553-A556 HydrophobicContact CE-CB 4.41Å; M553-A556 PolarHBondContact O-N 2.96Å |
| 557 | M | 94.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -79.4 | -36.7 | -178.4 | -63.7 | -62.5 | 144.5 | 0 | 0 | 112.2 | A193 V194 Y199 A203 F207 M553 | A193-M557 HydrophobicContact CB-SD 4.35Å; V194-M557 HydrophobicContact CG2-CG 4.37Å; Y199-M557 HydrophobicContact CD1-SD 4.35Å; Y199-M557 HydrophobicContact CD2-CE 4.45Å; Y199-M557 HydrophobicContact CD2-SD 3.76Å; Y199-M557 HydrophobicContact CE1-SD 4.18Å; Y199-M557 HydrophobicContact CE2-SD 3.55Å; Y199-M557 VanDerWaalsContact CE2-SD 3.55Å; Y199-M557 HydrophobicContact CG-CE 4.48Å; Y199-M557 HydrophobicContact CG-SD 4.17Å; Y199-M557 PolarHBondContact OH-O 3.05Å; A203-M557 HydrophobicContact CB-CE 3.8Å; A203-M557 WeakPolarHBondContact O-CE 3.47Å; F207-M557 HydrophobicContact CB-CE 4.12Å; F207-M557 HydrophobicContact CD2-CE 4.37Å; F207-M557 HydrophobicContact CD2-CG 4.02Å; F207-M557 HydrophobicContact CE2-CG 4.42Å; M553-M557 HydrophobicContact CE-CE 3.45Å; M553-M557 VanDerWaalsContact CE-CE 3.45Å; M553-M557 WeakPolarHBondContact O-CB 3.46Å; M553-M557 VanDerWaalsContact O-CG 3.28Å; M553-M557 WeakPolarHBondContact O-CG 3.31Å; M553-M557 PolarHBondContact O-N 3.46Å |
| 558 | Y | 95.3 | Very high | 95.5 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | trans | -140.1 | 66.3 | -172.9 | -70.9 | -78.4 | 0 | 0 | 0 | 112.7 | F157 D158 M161 V194 G195 Y196 S554 K560 V561 F562 | F157-Y558 AromaticContact CD1-CD2 3.83Å; F157-Y558 HydrophobicContact CD1-CD2 3.83Å; F157-Y558 AromaticContact CD1-CE2 3.81Å; F157-Y558 HydrophobicContact CD1-CE2 3.81Å; F157-Y558 AromaticContact CE1-CD2 4Å; F157-Y558 HydrophobicContact CE1-CD2 4Å; F157-Y558 HydrophobicContact CE1-CE2 4.38Å; D158-Y558 HydrophobicContact CB-CE1 3.95Å; D158-Y558 HydrophobicContact CB-CE2 4.3Å; M161-Y558 HydrophobicContact CE-CD2 4.25Å; M161-Y558 HydrophobicContact CE-CG 4.5Å; V194-Y558 HydrophobicContact CG2-CE2 4.21Å; V194-Y558 PolarHBondContact O-OH 2.91Å; G195-Y558 WeakPolarHBondContact CA-OH 3.42Å; Y196-Y558 AromaticContact CD2-CE1 3.75Å; Y196-Y558 HydrophobicContact CD2-CE1 3.75Å; Y196-Y558 AromaticContact CE2-CE1 3.82Å; Y196-Y558 HydrophobicContact CE2-CE1 3.82Å; S554-Y558 CarbonylContact O-C 3.55Å; S554-Y558 WeakPolarHBondContact O-CA 3.45Å; S554-Y558 PolarHBondContact O-N 2.72Å; Y558-K560 PolarHBondContact O-N 3.26Å; Y558-V561 HydrophobicContact CD1-CG2 3.9Å; Y558-V561 HydrophobicContact CG-CG2 4.29Å; Y558-V561 PolarHBondContact O-N 3.33Å; Y558-V561 VanDerWaalsContact O-N 3.11Å; Y558-F562 WeakPolarHBondContact O-CB 3.41Å; Y558-F562 PolarHBondContact O-N 3.33Å | ||
| 559 | P | 94.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 57% | 0.571 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -54.8 | -47.8 | -170 | -20.5 | 24.6 | 0 | 0 | 0 | 113.6 | A555 Q563 | A555-P559 WeakPolarHBondContact O-CA 3.44Å; A555-P559 WeakPolarHBondContact O-CB 3.22Å; A555-P559 WeakPolarHBondContact O-CD 3.46Å; A555-P559 WeakPolarHBondContact O-CG 3.29Å; A555-P559 VanDerWaalsContact O-N 3.1Å; P559-Q563 WeakPolarHBondContact O-CB 2.97Å; P559-Q563 PolarHBondContact O-N 3.24Å; P559-Q563 VanDerWaalsContact O-N 3.08Å |
| 560 | K | 94.9 | Very high | 95 | Very high | 146 Ų | 146 | 36.7 Ų | 36.7 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -67.6 | -42.3 | -179.6 | -179.2 | 174.6 | 173.6 | 179 | 0 | 112.4 | Y558 Q563 E564 | Y558-K560 PolarHBondContact O-N 3.26Å; K560-Q563 PolarHBondContact O-N 3.11Å; K560-E564 WeakPolarHBondContact CE-OE1 3.5Å; K560-E564 IonicContact NZ-OE1 3.84Å; K560-E564 WeakPolarHBondContact O-CG 3.22Å; K560-E564 PolarHBondContact O-N 3.34Å |
| 561 | V | 95.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | -177.6 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | M161 R162 Y558 Q563 E564 F565 | M161-V561 HydrophobicContact CB-CG1 3.92Å; R162-V561 HydrophobicContact CB-CG1 3.7Å; R162-V561 HydrophobicContact CG-CG1 4.32Å; R162-V561 VanDerWaalsContact CZ-CG2 3.45Å; Y558-V561 HydrophobicContact CD1-CG2 3.9Å; Y558-V561 HydrophobicContact CG-CG2 4.29Å; Y558-V561 PolarHBondContact O-N 3.33Å; Y558-V561 VanDerWaalsContact O-N 3.11Å; V561-Q563 VanDerWaalsContact C-N 3.33Å; V561-E564 PolarHBondContact O-N 2.9Å; V561-F565 VanDerWaalsContact O-CB 3.3Å; V561-F565 WeakPolarHBondContact O-CB 3.37Å; V561-F565 PolarHBondContact O-N 2.92Å |
| 562 | F | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.4 | -179 | -100.6 | 0 | 0 | 0 | 111 | M161 L539 D551 S554 A555 Y558 F565 K566 | M161-F562 HydrophobicContact SD-CD2 4.34Å; L539-F562 HydrophobicContact CD1-CE1 4.29Å; L539-F562 HydrophobicContact CD2-CD1 4.22Å; L539-F562 HydrophobicContact CD2-CE1 3.81Å; D551-F562 HydrophobicContact CB-CE2 3.97Å; D551-F562 HydrophobicContact CB-CZ 3.63Å; D551-F562 WeakPolarHBondContact OD1-CE2 3.37Å; S554-F562 VanDerWaalsContact CB-CD2 3.48Å; A555-F562 HydrophobicContact CB-CB 4.38Å; A555-F562 HydrophobicContact CB-CD1 3.62Å; A555-F562 HydrophobicContact CB-CE1 4.09Å; A555-F562 HydrophobicContact CB-CG 4.02Å; Y558-F562 WeakPolarHBondContact O-CB 3.41Å; Y558-F562 PolarHBondContact O-N 3.33Å; F562-F565 HydrophobicContact CD2-CD1 4.36Å; F562-F565 HydrophobicContact CE2-CD1 4.49Å; F562-F565 WeakPolarHBondContact O-CB 3.47Å; F562-F565 PolarHBondContact O-N 3.26Å; F562-K566 HydrophobicContact CD1-CG 4.13Å; F562-K566 HydrophobicContact CE1-CD 4.16Å; F562-K566 HydrophobicContact CE1-CG 3.65Å; F562-K566 HydrophobicContact CE2-CD 4.07Å; F562-K566 HydrophobicContact CE2-CG 4.12Å; F562-K566 HydrophobicContact CZ-CD 3.66Å; F562-K566 HydrophobicContact CZ-CG 3.65Å; F562-K566 WeakPolarHBondContact O-CG 3.4Å; F562-K566 PolarHBondContact O-N 3.44Å |
| 563 | Q | 94.9 | Very high | 93.8 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 174.4 | -178.7 | 60.6 | 30.1 | 0 | 0 | 111.9 | H543 P559 K560 V561 F565 K566 E567 | H543-Q563 PolarHBondContact CE1-OE1 3.38Å; H543-Q563 VanDerWaalsContact CE1-OE1 3.28Å; H543-Q563 PolarHBondContact NE2-OE1 3.06Å; P559-Q563 WeakPolarHBondContact O-CB 2.97Å; P559-Q563 PolarHBondContact O-N 3.24Å; P559-Q563 VanDerWaalsContact O-N 3.08Å; K560-Q563 PolarHBondContact O-N 3.11Å; V561-Q563 VanDerWaalsContact C-N 3.33Å; Q563-F565 VanDerWaalsContact C-N 3.29Å; Q563-F565 PolarHBondContact O-N 3.34Å; Q563-K566 PolarHBondContact O-N 3.17Å; Q563-E567 PolarHBondContact NE2-OE1 3.38Å; Q563-E567 WeakPolarHBondContact O-CG 3.4Å; Q563-E567 PolarHBondContact O-N 2.98Å |
| 564 | E | 95.1 | Very high | 93.4 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 176.3 | -72.6 | 170.3 | -179.8 | 0 | 0 | 111.8 | K560 V561 E567 F568 | K560-E564 WeakPolarHBondContact CE-OE1 3.5Å; K560-E564 IonicContact NZ-OE1 3.84Å; K560-E564 WeakPolarHBondContact O-CG 3.22Å; K560-E564 PolarHBondContact O-N 3.34Å; V561-E564 PolarHBondContact O-N 2.9Å; E564-E567 PolarHBondContact O-N 3.14Å; E564-F568 WeakPolarHBondContact O-CB 3.43Å; E564-F568 PolarHBondContact O-N 3.4Å |
| 565 | F | 95.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.7 | 168.6 | -109.9 | 0 | 0 | 0 | 112.6 | M161 C167 V561 F562 Q563 F568 T569 | M161-F565 HydrophobicContact CB-CB 4.18Å; M161-F565 HydrophobicContact CB-CD2 4.45Å; M161-F565 HydrophobicContact CB-CG 4.25Å; M161-F565 HydrophobicContact CG-CD1 4.48Å; M161-F565 HydrophobicContact CG-CG 4.35Å; C167-F565 HydrophobicContact CB-CZ 4.1Å; V561-F565 VanDerWaalsContact O-CB 3.3Å; V561-F565 WeakPolarHBondContact O-CB 3.37Å; V561-F565 PolarHBondContact O-N 2.92Å; F562-F565 HydrophobicContact CD2-CD1 4.36Å; F562-F565 HydrophobicContact CE2-CD1 4.49Å; F562-F565 WeakPolarHBondContact O-CB 3.47Å; F562-F565 PolarHBondContact O-N 3.26Å; Q563-F565 VanDerWaalsContact C-N 3.29Å; Q563-F565 PolarHBondContact O-N 3.34Å; F565-F568 PolarHBondContact O-N 3.33Å; F565-T569 HydrophobicContact CD2-CG2 3.97Å; F565-T569 HydrophobicContact CE1-CG2 4.49Å; F565-T569 HydrophobicContact CE2-CG2 3.48Å; F565-T569 VanDerWaalsContact CE2-CG2 3.48Å; F565-T569 HydrophobicContact CZ-CG2 3.79Å; F565-T569 WeakPolarHBondContact O-CB 3.18Å; F565-T569 WeakPolarHBondContact O-CG2 3.4Å; F565-T569 PolarHBondContact O-N 2.89Å; F565-T569 PolarHBondContact O-OG1 2.86Å |
| 566 | K | 93.4 | Very high | 92.9 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 175.5 | -66 | -67.2 | -79.8 | -156.2 | 0 | 111.5 | H543 D551 F562 Q563 T569 S570 | H543-K566 VanDerWaalsContact CE1-CB 3.48Å; H543-K566 WeakPolarHBondContact CE1-CB 3.22Å; D551-K566 IonicContact OD2-NZ 3.89Å; D551-K566 PolarHBondContact OD2-NZ 3.35Å; F562-K566 HydrophobicContact CD1-CG 4.13Å; F562-K566 HydrophobicContact CE1-CD 4.16Å; F562-K566 HydrophobicContact CE1-CG 3.65Å; F562-K566 HydrophobicContact CE2-CD 4.07Å; F562-K566 HydrophobicContact CE2-CG 4.12Å; F562-K566 HydrophobicContact CZ-CD 3.66Å; F562-K566 HydrophobicContact CZ-CG 3.65Å; F562-K566 WeakPolarHBondContact O-CG 3.4Å; F562-K566 PolarHBondContact O-N 3.44Å; Q563-K566 PolarHBondContact O-N 3.17Å; K566-T569 WeakPolarHBondContact CA-OG1 3.42Å; K566-T569 PolarHBondContact O-OG1 2.87Å; K566-T569 VanDerWaalsContact O-OG1 3.11Å; K566-S570 VanDerWaalsContact O-CB 3.23Å; K566-S570 WeakPolarHBondContact O-CB 3.43Å; K566-S570 PolarHBondContact O-N 3.39Å |
| 567 | E | 92.3 | Very high | 92.7 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 47% | 0.467 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 172.7 | -73.2 | 173.7 | -165.9 | 0 | 0 | 111.9 | Q563 E564 S570 N571 | Q563-E567 PolarHBondContact NE2-OE1 3.38Å; Q563-E567 WeakPolarHBondContact O-CG 3.4Å; Q563-E567 PolarHBondContact O-N 2.98Å; E564-E567 PolarHBondContact O-N 3.14Å; E567-S570 PolarHBondContact O-N 3.32Å; E567-N571 PolarHBondContact O-N 3.43Å; E567-N571 VanDerWaalsContact O-N 3.15Å; E567-N571 PolarHBondContact O-ND2 3.04Å |
| 568 | F | 93.9 | Very high | 92.7 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -54.1 | 176.9 | -178.5 | -80.4 | 0 | 0 | 0 | 111.4 | Y48 T58 E564 F565 S570 N571 F572 V575 | Y48-F568 HydrophobicContact CD2-CE2 4.49Å; Y48-F568 AromaticContact CD2-CZ 3.81Å; Y48-F568 HydrophobicContact CD2-CZ 3.81Å; Y48-F568 HydrophobicContact CE2-CE2 4.25Å; Y48-F568 AromaticContact CE2-CZ 3.64Å; Y48-F568 HydrophobicContact CE2-CZ 3.64Å; T58-F568 HydrophobicContact CG2-CE2 4.15Å; E564-F568 WeakPolarHBondContact O-CB 3.43Å; E564-F568 PolarHBondContact O-N 3.4Å; F565-F568 PolarHBondContact O-N 3.33Å; F568-S570 VanDerWaalsContact C-N 3.26Å; F568-S570 PolarHBondContact O-N 3.49Å; F568-N571 PolarHBondContact O-N 3.4Å; F568-F572 HydrophobicContact CD1-CB 4.27Å; F568-F572 HydrophobicContact CD1-CD2 4.33Å; F568-F572 AromaticContact CD2-CD2 3.69Å; F568-F572 HydrophobicContact CD2-CD2 3.69Å; F568-F572 HydrophobicContact CD2-CE2 4.2Å; F568-F572 HydrophobicContact CE1-CB 3.82Å; F568-F572 HydrophobicContact CE1-CD2 4.13Å; F568-F572 HydrophobicContact CE1-CG 4.42Å; F568-F572 AromaticContact CE2-CD2 3.47Å; F568-F572 HydrophobicContact CE2-CD2 3.47Å; F568-F572 VanDerWaalsContact CE2-CD2 3.47Å; F568-F572 AromaticContact CE2-CE2 3.99Å; F568-F572 HydrophobicContact CE2-CE2 3.99Å; F568-F572 HydrophobicContact CE2-CG 4.37Å; F568-F572 HydrophobicContact CG-CD2 4.12Å; F568-F572 HydrophobicContact CZ-CB 4.03Å; F568-F572 AromaticContact CZ-CD2 3.72Å; F568-F572 HydrophobicContact CZ-CD2 3.72Å; F568-F572 HydrophobicContact CZ-CG 4.18Å; F568-F572 PolarHBondContact O-N 2.88Å; F568-V575 HydrophobicContact CE1-CB 4.42Å; F568-V575 HydrophobicContact CE1-CG1 3.77Å; F568-V575 HydrophobicContact CE1-CG2 3.74Å; F568-V575 HydrophobicContact CZ-CG1 4.11Å; F568-V575 HydrophobicContact CZ-CG2 4.28Å |
| 569 | T | 91 | Very high | 92.7 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -30.7 | -178.4 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | F565 K566 N571 G573 | F565-T569 HydrophobicContact CD2-CG2 3.97Å; F565-T569 HydrophobicContact CE1-CG2 4.49Å; F565-T569 HydrophobicContact CE2-CG2 3.48Å; F565-T569 VanDerWaalsContact CE2-CG2 3.48Å; F565-T569 HydrophobicContact CZ-CG2 3.79Å; F565-T569 WeakPolarHBondContact O-CB 3.18Å; F565-T569 WeakPolarHBondContact O-CG2 3.4Å; F565-T569 PolarHBondContact O-N 2.89Å; F565-T569 PolarHBondContact O-OG1 2.86Å; K566-T569 WeakPolarHBondContact CA-OG1 3.42Å; K566-T569 PolarHBondContact O-OG1 2.87Å; K566-T569 VanDerWaalsContact O-OG1 3.11Å; T569-N571 VanDerWaalsContact C-N 3.34Å; T569-G573 VanDerWaalsContact O-CA 3.24Å; T569-G573 WeakPolarHBondContact O-CA 3.41Å; T569-G573 PolarHBondContact O-N 3.18Å |
| 570 | S | 89.1 | Confident | 92.8 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 52% | 0.517 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 170.6 | -171.8 | 0 | 0 | 0 | 0 | 112 | K44 K566 E567 F568 | K44-S570 WeakPolarHBondContact CD-O 2.97Å; K44-S570 WeakPolarHBondContact CE-O 3.32Å; K44-S570 PolarHBondContact NZ-O 3.39Å; K566-S570 VanDerWaalsContact O-CB 3.23Å; K566-S570 WeakPolarHBondContact O-CB 3.43Å; K566-S570 PolarHBondContact O-N 3.39Å; E567-S570 PolarHBondContact O-N 3.32Å; F568-S570 VanDerWaalsContact C-N 3.26Å; F568-S570 PolarHBondContact O-N 3.49Å |
| 571 | N | 90 | Very high | 92.8 | Very high | 94 Ų | 94 | 33.8 Ų | 33.8 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -82.8 | -38.9 | -177.9 | -71.2 | -40.4 | 0 | 0 | 0 | 114.5 | H47 E567 F568 T569 | H47-N571 PolarHBondContact ND1-O 3.25Å; E567-N571 PolarHBondContact O-N 3.43Å; E567-N571 VanDerWaalsContact O-N 3.15Å; E567-N571 PolarHBondContact O-ND2 3.04Å; F568-N571 PolarHBondContact O-N 3.4Å; T569-N571 VanDerWaalsContact C-N 3.34Å |
| 572 | F | 92 | Very high | 92.7 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 10% | 0.101 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -115.6 | -11 | -168.8 | -69.2 | -55.2 | 0 | 0 | 0 | 114.4 | K44 L45 H47 Y48 H51 F568 V575 | K44-F572 CarbonylContact C-O 3.57Å; K44-F572 WeakPolarHBondContact CB-O 3.29Å; K44-F572 VanDerWaalsContact O-O 3.11Å; L45-F572 PolarHBondContact N-O 3.46Å; H47-F572 AromaticContact CE1-CE1 3.88Å; H47-F572 AromaticContact ND1-CD1 3.95Å; H47-F572 AromaticContact ND1-CE1 3.8Å; Y48-F572 VanDerWaalsContact CA-CD1 3.44Å; Y48-F572 HydrophobicContact CD2-CB 4.07Å; Y48-F572 AromaticContact CD2-CD1 3.99Å; Y48-F572 HydrophobicContact CD2-CD1 3.99Å; Y48-F572 HydrophobicContact CD2-CD2 4.28Å; Y48-F572 HydrophobicContact CD2-CE1 4.49Å; Y48-F572 AromaticContact CD2-CG 3.86Å; Y48-F572 HydrophobicContact CD2-CG 3.86Å; Y48-F572 HydrophobicContact CG-CB 4.41Å; Y48-F572 HydrophobicContact CG-CD1 4.34Å; Y48-F572 HydrophobicContact CG-CG 4.45Å; H51-F572 HydrophobicContact CB-CE1 3.89Å; H51-F572 HydrophobicContact CB-CZ 4.12Å; H51-F572 AromaticContact CG-CZ 3.97Å; H51-F572 AromaticContact ND1-CZ 3.98Å; F568-F572 HydrophobicContact CD1-CB 4.27Å; F568-F572 HydrophobicContact CD1-CD2 4.33Å; F568-F572 AromaticContact CD2-CD2 3.69Å; F568-F572 HydrophobicContact CD2-CD2 3.69Å; F568-F572 HydrophobicContact CD2-CE2 4.2Å; F568-F572 HydrophobicContact CE1-CB 3.82Å; F568-F572 HydrophobicContact CE1-CD2 4.13Å; F568-F572 HydrophobicContact CE1-CG 4.42Å; F568-F572 AromaticContact CE2-CD2 3.47Å; F568-F572 HydrophobicContact CE2-CD2 3.47Å; F568-F572 VanDerWaalsContact CE2-CD2 3.47Å; F568-F572 AromaticContact CE2-CE2 3.99Å; F568-F572 HydrophobicContact CE2-CE2 3.99Å; F568-F572 HydrophobicContact CE2-CG 4.37Å; F568-F572 HydrophobicContact CG-CD2 4.12Å; F568-F572 HydrophobicContact CZ-CB 4.03Å; F568-F572 AromaticContact CZ-CD2 3.72Å; F568-F572 HydrophobicContact CZ-CD2 3.72Å; F568-F572 HydrophobicContact CZ-CG 4.18Å; F568-F572 PolarHBondContact O-N 2.88Å; F572-V575 HydrophobicContact CB-CG1 4.33Å |
| 573 | G | 84.6 | Confident | 92.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | trans | 73.2 | -164.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T569 V575 | T569-G573 VanDerWaalsContact O-CA 3.24Å; T569-G573 WeakPolarHBondContact O-CA 3.41Å; T569-G573 PolarHBondContact O-N 3.18Å; G573-V575 PolarHBondContact O-N 3.49Å | ||
| 574 | P | 87.7 | Confident | 92.7 | Very high | 37 Ų | 37 | 30.6 Ų | 30.6 | 24% | 0.24 | 17% | 0.165 | C | C | . | . | trans | -77.9 | 89.9 | -173.8 | 31.7 | -34.3 | 0 | 0 | 0 | 111.1 | L45 D576 C577 L597 | L45-P574 WeakPolarHBondContact CD2-O 3.47Å; P574-D576 VanDerWaalsContact C-OD1 3.24Å; P574-D576 WeakPolarHBondContact CA-OD1 3.4Å; P574-D576 VanDerWaalsContact CB-OD1 3.23Å; P574-D576 WeakPolarHBondContact CB-OD1 3.41Å; P574-D576 PolarHBondContact O-N 3.39Å; P574-C577 PolarHBondContact O-SG 3.34Å; P574-L597 HydrophobicContact CG-CD2 4.3Å | ||
| 575 | V | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -75.3 | -10.1 | 180 | -63 | 0 | 0 | 0 | 0 | 113.3 | Y48 R128 F568 F572 G573 C577 L578 F583 | Y48-V575 HydrophobicContact CD1-CG1 3.89Å; Y48-V575 HydrophobicContact CD2-CG1 3.87Å; Y48-V575 HydrophobicContact CE1-CG1 4.25Å; Y48-V575 HydrophobicContact CE2-CG1 4.22Å; Y48-V575 HydrophobicContact CG-CG1 3.69Å; R128-V575 PolarHBondContact NH2-O 3.16Å; F568-V575 HydrophobicContact CE1-CB 4.42Å; F568-V575 HydrophobicContact CE1-CG1 3.77Å; F568-V575 HydrophobicContact CE1-CG2 3.74Å; F568-V575 HydrophobicContact CZ-CG1 4.11Å; F568-V575 HydrophobicContact CZ-CG2 4.28Å; F572-V575 HydrophobicContact CB-CG1 4.33Å; G573-V575 PolarHBondContact O-N 3.49Å; V575-C577 PolarHBondContact O-N 3.42Å; V575-L578 HydrophobicContact CB-CD1 4.35Å; V575-L578 WeakPolarHBondContact O-CB 3.48Å; V575-L578 PolarHBondContact O-N 2.97Å; V575-L578 VanDerWaalsContact O-N 3.15Å; V575-F583 HydrophobicContact CB-CD2 4.15Å; V575-F583 HydrophobicContact CB-CE2 4.19Å; V575-F583 HydrophobicContact CG2-CD2 4.24Å; V575-F583 HydrophobicContact CG2-CE2 3.82Å |
| 576 | D | 91.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 28.7 Ų | 28.7 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -62.1 | -22.8 | 175.9 | 56.5 | -51.3 | 0 | 0 | 0 | 113.3 | R128 E166 K170 P574 L578 | R128-D576 PolarHBondContact NH2-O 2.89Å; E166-D576 HydrophobicContact CB-CB 4.45Å; E166-D576 HydrophobicContact CG-CB 3.96Å; K170-D576 IonicContact NZ-OD2 3.34Å; K170-D576 PolarHBondContact NZ-OD2 3.36Å; P574-D576 VanDerWaalsContact C-OD1 3.24Å; P574-D576 WeakPolarHBondContact CA-OD1 3.4Å; P574-D576 VanDerWaalsContact CB-OD1 3.23Å; P574-D576 WeakPolarHBondContact CB-OD1 3.41Å; P574-D576 PolarHBondContact O-N 3.39Å; D576-L578 VanDerWaalsContact C-N 3.34Å |
| 577 | C | 91.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -80.8 | -10.9 | 176.3 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | P574 V575 V595 E596 | P574-C577 PolarHBondContact O-SG 3.34Å; V575-C577 PolarHBondContact O-N 3.42Å; C577-V595 HydrophobicContact CB-CG1 4.06Å; C577-V595 WeakPolarHBondContact SG-CG1 3.34Å; C577-E596 WeakPolarHBondContact CB-O 3.36Å |
| 578 | L | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -77.6 | 147 | 178.2 | -61.5 | 176.6 | 0 | 0 | 0 | 110.4 | L45 Y48 L49 R128 V575 D576 L582 F583 V595 | L45-L578 HydrophobicContact CD2-CD1 4.3Å; L45-L578 HydrophobicContact CD2-CD2 4.29Å; L45-L578 HydrophobicContact CD2-CG 4.23Å; Y48-L578 HydrophobicContact CD1-CD1 3.5Å; Y48-L578 HydrophobicContact CE1-CD1 3.73Å; L49-L578 HydrophobicContact CD2-CD1 4.23Å; L49-L578 HydrophobicContact CD2-CD2 4.34Å; R128-L578 VanDerWaalsContact CZ-O 3.31Å; R128-L578 PolarHBondContact NH1-O 2.94Å; R128-L578 PolarHBondContact NH2-O 3.12Å; V575-L578 HydrophobicContact CB-CD1 4.35Å; V575-L578 WeakPolarHBondContact O-CB 3.48Å; V575-L578 PolarHBondContact O-N 2.97Å; V575-L578 VanDerWaalsContact O-N 3.15Å; D576-L578 VanDerWaalsContact C-N 3.34Å; L578-L582 HydrophobicContact CB-CB 4.47Å; L578-F583 HydrophobicContact CB-CB 4.48Å; L578-V595 HydrophobicContact CD2-CG1 4.19Å; L578-V595 HydrophobicContact CD2-CG2 3.86Å |
| 579 | S | 94.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | trans | -63.2 | 152.8 | 166.9 | 75.5 | 0 | 0 | 0 | 0 | 110.7 | R581 L582 F583 | S579-R581 VanDerWaalsContact C-N 3.28Å; S579-R581 PolarHBondContact O-N 2.97Å; S579-L582 PolarHBondContact O-N 3.34Å; S579-L582 VanDerWaalsContact O-N 3.08Å; S579-L582 WeakPolarHBondContact OG-CD1 3.41Å; S579-L582 WeakPolarHBondContact OG-CG 3.38Å; S579-L582 PolarHBondContact OG-N 2.89Å; S579-F583 PolarHBondContact O-N 3.19Å | ||
| 580 | T | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | -175.6 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | R128 D131 L389 Y390 F583 L584 | R128-T580 VanDerWaalsContact NH1-CA 3.26Å; R128-T580 PolarHBondContact NH1-OG1 3.33Å; R128-T580 VanDerWaalsContact NH1-OG1 3.09Å; D131-T580 WeakPolarHBondContact OD2-CB 3.37Å; D131-T580 PolarHBondContact OD2-OG1 3.3Å; L389-T580 HydrophobicContact CB-CG2 3.97Å; Y390-T580 HydrophobicContact CD1-CG2 4.36Å; Y390-T580 HydrophobicContact CE1-CG2 3.65Å; Y390-T580 HydrophobicContact CE2-CG2 4.08Å; Y390-T580 VanDerWaalsContact CZ-CG2 3.5Å; Y390-T580 PolarHBondContact OH-OG1 3.21Å; T580-F583 PolarHBondContact O-N 2.91Å; T580-L584 HydrophobicContact CG2-CD1 3.86Å; T580-L584 HydrophobicContact CG2-CG 4.44Å; T580-L584 WeakPolarHBondContact O-CB 3.5Å; T580-L584 WeakPolarHBondContact O-CG 3.29Å; T580-L584 PolarHBondContact O-N 2.91Å |
| 581 | R | 94.9 | Very high | 93 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 172.8 | -175.9 | -166.7 | 59.2 | 84.8 | 1.1 | 111.9 | L389 S579 F583 L584 D585 G586 E591 | L389-R581 HydrophobicContact CD2-CB 4.46Å; S579-R581 VanDerWaalsContact C-N 3.28Å; S579-R581 PolarHBondContact O-N 2.97Å; R581-F583 VanDerWaalsContact C-N 3.27Å; R581-F583 PolarHBondContact O-N 3.34Å; R581-L584 PolarHBondContact O-N 3.2Å; R581-D585 PolarHBondContact O-N 3.44Å; R581-G586 PolarHBondContact NH1-O 3.36Å; R581-G586 PolarHBondContact O-N 3.48Å; R581-E591 IonicContact CZ-OE1 2.58Å; R581-E591 IonicContact CZ-OE2 3.04Å; R581-E591 IonicContact NH1-OE1 3.44Å; R581-E591 PolarHBondContact NH1-OE1 3Å; R581-E591 IonicContact NH1-OE2 3.77Å; R581-E591 PolarHBondContact NH1-OE2 3.33Å; R581-E591 IonicContact NH2-OE1 3.64Å; R581-E591 PolarHBondContact NH2-OE1 2.82Å; R581-E591 IonicContact NH2-OE2 3.05Å |
| 582 | L | 94.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | 178.5 | -70 | 173.1 | 0 | 0 | 0 | 111.9 | L49 L578 S579 G586 P587 F593 | L49-L582 HydrophobicContact CD2-CB 4.39Å; L578-L582 HydrophobicContact CB-CB 4.47Å; S579-L582 PolarHBondContact O-N 3.34Å; S579-L582 VanDerWaalsContact O-N 3.08Å; S579-L582 WeakPolarHBondContact OG-CD1 3.41Å; S579-L582 WeakPolarHBondContact OG-CG 3.38Å; S579-L582 PolarHBondContact OG-N 2.89Å; L582-G586 VanDerWaalsContact O-CA 3.28Å; L582-G586 WeakPolarHBondContact O-CA 3.43Å; L582-G586 PolarHBondContact O-N 3.48Å; L582-P587 HydrophobicContact CD2-CB 3.91Å; L582-F593 HydrophobicContact CD1-CB 4.24Å; L582-F593 HydrophobicContact CD1-CD1 4.44Å; L582-F593 HydrophobicContact CD1-CD2 3.36Å; L582-F593 HydrophobicContact CD1-CE2 3.72Å; L582-F593 HydrophobicContact CD1-CG 3.76Å; L582-F593 HydrophobicContact CD1-CZ 4.41Å; L582-F593 HydrophobicContact CD2-CD1 4.24Å; L582-F593 HydrophobicContact CD2-CD2 4.47Å; L582-F593 HydrophobicContact CD2-CE1 4.25Å; L582-F593 HydrophobicContact CD2-CE2 4.45Å; L582-F593 HydrophobicContact CD2-CG 4.35Å; L582-F593 HydrophobicContact CD2-CZ 4.34Å |
| 583 | F | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 175 | 177.3 | -98.8 | 0 | 0 | 0 | 112.5 | Y48 T59 L164 V575 L578 S579 T580 R581 | Y48-F583 AromaticContact CE1-CD2 3.92Å; Y48-F583 HydrophobicContact CE1-CD2 3.92Å; Y48-F583 HydrophobicContact CE1-CE2 4.45Å; Y48-F583 AromaticContact CZ-CD2 3.75Å; Y48-F583 AromaticContact CZ-CE2 3.84Å; Y48-F583 VanDerWaalsContact OH-CD2 3.24Å; Y48-F583 WeakPolarHBondContact OH-CD2 3.48Å; Y48-F583 VanDerWaalsContact OH-CE2 3.22Å; Y48-F583 WeakPolarHBondContact OH-CE2 3.35Å; Y48-F583 PolarHBondContact OH-O 3.41Å; T59-F583 WeakPolarHBondContact OG1-CE1 3.28Å; L164-F583 WeakPolarHBondContact O-CE2 3.42Å; L164-F583 WeakPolarHBondContact O-CZ 2.96Å; V575-F583 HydrophobicContact CB-CD2 4.15Å; V575-F583 HydrophobicContact CB-CE2 4.19Å; V575-F583 HydrophobicContact CG2-CD2 4.24Å; V575-F583 HydrophobicContact CG2-CE2 3.82Å; L578-F583 HydrophobicContact CB-CB 4.48Å; S579-F583 PolarHBondContact O-N 3.19Å; T580-F583 PolarHBondContact O-N 2.91Å; R581-F583 VanDerWaalsContact C-N 3.27Å; R581-F583 PolarHBondContact O-N 3.34Å |
| 584 | L | 94.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -94.5 | -37.5 | -173.3 | -66 | 176.9 | 0 | 0 | 0 | 115.2 | P57 P67 F393 T580 R581 | P57-L584 VanDerWaalsContact CB-O 3.25Å; P57-L584 WeakPolarHBondContact CB-O 3.41Å; P57-L584 WeakPolarHBondContact CD-O 3.49Å; P57-L584 WeakPolarHBondContact CG-O 3.36Å; P67-L584 HydrophobicContact CG-CB 3.77Å; P67-L584 HydrophobicContact CG-CD1 4.04Å; F393-L584 HydrophobicContact CE2-CD1 3.87Å; F393-L584 HydrophobicContact CE2-CD2 3.85Å; F393-L584 HydrophobicContact CZ-CD2 3.97Å; T580-L584 HydrophobicContact CG2-CD1 3.86Å; T580-L584 HydrophobicContact CG2-CG 4.44Å; T580-L584 WeakPolarHBondContact O-CB 3.5Å; T580-L584 WeakPolarHBondContact O-CG 3.29Å; T580-L584 PolarHBondContact O-N 2.91Å; R581-L584 PolarHBondContact O-N 3.2Å |
| 585 | D | 92.7 | Very high | 93.9 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -11.8 | -174.5 | -159.5 | 42.4 | 0 | 0 | 0 | 112.3 | P67 R581 | P67-D585 HydrophobicContact CG-CB 4.34Å; R581-D585 PolarHBondContact O-N 3.44Å |
| 586 | G | 93.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | 68.5 | -179 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R581 L582 | R581-G586 PolarHBondContact NH1-O 3.36Å; R581-G586 PolarHBondContact O-N 3.48Å; L582-G586 VanDerWaalsContact O-CA 3.28Å; L582-G586 WeakPolarHBondContact O-CA 3.43Å; L582-G586 PolarHBondContact O-N 3.48Å | ||
| 587 | P | 94.7 | Very high | 93.4 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 148.5 | 176.9 | 32.7 | -32.2 | 0 | 0 | 0 | 111.7 | L49 M53 L582 E591 F593 A607 F623 | L49-P587 HydrophobicContact CB-CG 4.45Å; L49-P587 HydrophobicContact CD2-CG 4.35Å; M53-P587 HydrophobicContact CG-CG 4.24Å; M53-P587 HydrophobicContact SD-CG 3.82Å; L582-P587 HydrophobicContact CD2-CB 3.91Å; P587-E591 VanDerWaalsContact CA-OE2 3.31Å; P587-E591 WeakPolarHBondContact CA-OE2 3.19Å; P587-F593 HydrophobicContact CB-CD1 4.23Å; P587-F593 HydrophobicContact CB-CE1 3.48Å; P587-F593 VanDerWaalsContact CB-CE1 3.48Å; P587-F593 HydrophobicContact CB-CZ 4.12Å; P587-F593 HydrophobicContact CG-CE1 4.05Å; P587-F593 HydrophobicContact CG-CZ 4.26Å; P587-A607 HydrophobicContact CB-CB 4.04Å; P587-A607 HydrophobicContact CG-CB 3.92Å; P587-F623 HydrophobicContact CG-CE1 4.24Å |
| 588 | K | 93.7 | Very high | 92.8 | Very high | 127 Ų | 127 | 45.5 Ų | 45.5 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -78.6 | 156.8 | 169.2 | -64.1 | 175.2 | -176.3 | 170.4 | 0 | 110.3 | A590 E591 | K588-A590 PolarHBondContact O-N 2.89Å; K588-E591 HydrophobicContact CB-CB 4.15Å; K588-E591 PolarHBondContact N-OE2 2.87Å; K588-E591 WeakPolarHBondContact O-CB 3.44Å; K588-E591 PolarHBondContact O-N 3.39Å |
| 589 | I | 95.1 | Very high | 91.9 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136 | 171.9 | -60.7 | -58.8 | 0 | 0 | 0 | 109.7 | M53 E591 L608 | M53-I589 HydrophobicContact CE-CD1 3.55Å; I589-E591 PolarHBondContact O-N 2.82Å; I589-L608 WeakPolarHBondContact CG2-O 3.46Å |
| 590 | A | 93.6 | Very high | 91.2 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 6.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K588 A607 | K588-A590 PolarHBondContact O-N 2.89Å; A590-A607 WeakPolarHBondContact CA-O 3.47Å; A590-A607 PolarHBondContact N-O 3.19Å |
| 591 | E | 94 | Very high | 90.7 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | trans | -75.2 | 132.2 | 172.9 | -173.6 | 172 | -164.4 | 0 | 0 | 111.1 | R581 P587 K588 I589 F593 K606 A607 | R581-E591 IonicContact CZ-OE1 2.58Å; R581-E591 IonicContact CZ-OE2 3.04Å; R581-E591 IonicContact NH1-OE1 3.44Å; R581-E591 PolarHBondContact NH1-OE1 3Å; R581-E591 IonicContact NH1-OE2 3.77Å; R581-E591 PolarHBondContact NH1-OE2 3.33Å; R581-E591 IonicContact NH2-OE1 3.64Å; R581-E591 PolarHBondContact NH2-OE1 2.82Å; R581-E591 IonicContact NH2-OE2 3.05Å; P587-E591 VanDerWaalsContact CA-OE2 3.31Å; P587-E591 WeakPolarHBondContact CA-OE2 3.19Å; K588-E591 HydrophobicContact CB-CB 4.15Å; K588-E591 PolarHBondContact N-OE2 2.87Å; K588-E591 WeakPolarHBondContact O-CB 3.44Å; K588-E591 PolarHBondContact O-N 3.39Å; I589-E591 PolarHBondContact O-N 2.82Å; E591-F593 HydrophobicContact CG-CD1 4.37Å; E591-K606 VanDerWaalsContact O-CA 3.3Å; E591-K606 WeakPolarHBondContact O-CA 3.46Å; E591-A607 PolarHBondContact O-N 3.38Å; E591-A607 VanDerWaalsContact O-N 3.12Å | ||
| 592 | E | 94.3 | Very high | 90.5 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.1 | 175.6 | -176.2 | 171.7 | -179.6 | 0 | 0 | 109.7 | I605 K606 | E592-I605 WeakPolarHBondContact CA-O 3.2Å; E592-K606 HydrophobicContact CB-CB 4.4Å; E592-K606 HydrophobicContact CB-CG 4.33Å |
| 593 | F | 94.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 161.1 | -177.1 | 57.2 | -85.2 | 0 | 0 | 0 | 111.7 | L49 L582 P587 E591 V595 I605 | L49-F593 HydrophobicContact CD1-CE2 4.05Å; L49-F593 HydrophobicContact CD1-CZ 3.77Å; L49-F593 HydrophobicContact CD2-CZ 4.35Å; L582-F593 HydrophobicContact CD1-CB 4.24Å; L582-F593 HydrophobicContact CD1-CD1 4.44Å; L582-F593 HydrophobicContact CD1-CD2 3.36Å; L582-F593 HydrophobicContact CD1-CE2 3.72Å; L582-F593 HydrophobicContact CD1-CG 3.76Å; L582-F593 HydrophobicContact CD1-CZ 4.41Å; L582-F593 HydrophobicContact CD2-CD1 4.24Å; L582-F593 HydrophobicContact CD2-CD2 4.47Å; L582-F593 HydrophobicContact CD2-CE1 4.25Å; L582-F593 HydrophobicContact CD2-CE2 4.45Å; L582-F593 HydrophobicContact CD2-CG 4.35Å; L582-F593 HydrophobicContact CD2-CZ 4.34Å; P587-F593 HydrophobicContact CB-CD1 4.23Å; P587-F593 HydrophobicContact CB-CE1 3.48Å; P587-F593 VanDerWaalsContact CB-CE1 3.48Å; P587-F593 HydrophobicContact CB-CZ 4.12Å; P587-F593 HydrophobicContact CG-CE1 4.05Å; P587-F593 HydrophobicContact CG-CZ 4.26Å; E591-F593 HydrophobicContact CG-CD1 4.37Å; F593-V595 HydrophobicContact CD2-CG2 3.82Å; F593-V595 HydrophobicContact CE2-CG2 3.83Å; F593-I605 HydrophobicContact CD2-CB 4.33Å; F593-I605 HydrophobicContact CE1-CB 4.2Å; F593-I605 HydrophobicContact CE1-CG2 3.96Å; F593-I605 HydrophobicContact CE2-CB 3.76Å; F593-I605 HydrophobicContact CE2-CD1 4.04Å; F593-I605 HydrophobicContact CE2-CG1 4.45Å; F593-I605 HydrophobicContact CE2-CG2 4.03Å; F593-I605 HydrophobicContact CZ-CB 3.69Å; F593-I605 HydrophobicContact CZ-CD1 4.47Å; F593-I605 HydrophobicContact CZ-CG2 3.46Å; F593-I605 VanDerWaalsContact CZ-CG2 3.46Å; F593-I605 PolarHBondContact N-O 3.23Å; F593-I605 PolarHBondContact O-N 3.06Å |
| 594 | E | 93.8 | Very high | 90.3 | Very high | 134 Ų | 134 | 70.5 Ų | 70.5 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.9 | -179.8 | -64.4 | -174.6 | 177.8 | 0 | 0 | 111.2 | T602 L603 H604 | E594-T602 HydrophobicContact CB-CG2 3.82Å; E594-T602 HydrophobicContact CG-CG2 4.18Å; E594-L603 WeakPolarHBondContact CA-O 3.2Å; E594-H604 IonicContact OE1-CE1 3.91Å; E594-H604 PolarHBondContact OE1-CE1 3.44Å; E594-H604 IonicContact OE1-ND1 3.98Å; E594-H604 PolarHBondContact OE1-ND1 3.36Å |
| 595 | V | 92.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114.7 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | L45 C577 L578 F593 T602 L603 I605 | L45-V595 HydrophobicContact CD1-CG1 4.15Å; C577-V595 HydrophobicContact CB-CG1 4.06Å; C577-V595 WeakPolarHBondContact SG-CG1 3.34Å; L578-V595 HydrophobicContact CD2-CG1 4.19Å; L578-V595 HydrophobicContact CD2-CG2 3.86Å; F593-V595 HydrophobicContact CD2-CG2 3.82Å; F593-V595 HydrophobicContact CE2-CG2 3.83Å; V595-T602 WeakPolarHBondContact O-CA 3.42Å; V595-L603 HydrophobicContact CB-CB 4.38Å; V595-L603 PolarHBondContact N-O 2.81Å; V595-L603 PolarHBondContact O-N 3.13Å; V595-I605 HydrophobicContact CG2-CD1 4.14Å |
| 596 | E | 89 | Confident | 90.6 | Very high | 113 Ų | 113 | 70.5 Ų | 70.5 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.9 | 174 | -170.8 | 177.8 | 179.6 | 0 | 0 | 109.8 | C577 R599 | C577-E596 WeakPolarHBondContact CB-O 3.36Å; E596-R599 WeakPolarHBondContact OE1-CA 3.47Å |
| 597 | L | 83.8 | Confident | 90.7 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -40.2 | 178.2 | -77.4 | 179.7 | 0 | 0 | 0 | 112.4 | R41 L45 P574 K601 L603 | R41-L597 HydrophobicContact CB-CD1 4.25Å; L45-L597 HydrophobicContact CD1-CD2 3.58Å; P574-L597 HydrophobicContact CG-CD2 4.3Å; L597-K601 PolarHBondContact N-O 3.3Å; L597-L603 HydrophobicContact CD1-CD1 3.86Å; L597-L603 HydrophobicContact CD1-CD2 4.12Å; L597-L603 HydrophobicContact CD1-CG 4.05Å; L597-L603 HydrophobicContact CG-CD1 4.05Å; L597-L603 HydrophobicContact CG-CG 4.18Å |
| 598 | E | 79.1 | Confident | 90.7 | Very high | 70 Ų | 70 | 72.9 Ų | 72.9 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 161.9 | 178.2 | 58.3 | -162.6 | 164.6 | 0 | 0 | 107.9 | R41 G600 K601 | R41-E598 IonicContact CZ-OE1 2.99Å; R41-E598 IonicContact NH1-OE1 3.8Å; R41-E598 IonicContact NH1-OE2 3.77Å; R41-E598 PolarHBondContact NH1-OE2 2.79Å; R41-E598 IonicContact NH2-OE1 3.16Å; R41-E598 PolarHBondContact NH2-OE1 3.46Å; R41-E598 IonicContact NH2-OE2 3.75Å; E598-G600 PolarHBondContact O-N 3.21Å; E598-K601 HydrophobicContact CG-CB 3.87Å; E598-K601 HydrophobicContact CG-CD 3.83Å; E598-K601 HydrophobicContact CG-CG 3.86Å; E598-K601 PolarHBondContact O-N 3.49Å; E598-K601 WeakPolarHBondContact OE1-CD 3.19Å; E598-K601 WeakPolarHBondContact OE1-CE 3.4Å; E598-K601 IonicContact OE1-NZ 2.76Å; E598-K601 PolarHBondContact OE1-NZ 3.17Å |
| 599 | R | 76.7 | Confident | 90.7 | Very high | 244 Ų | 244 | 68.8 Ų | 68.8 | 92% | 0.921 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 118.6 | -176 | -171.8 | 177.2 | 179.6 | 178.6 | 0.9 | 111.1 | E596 | E596-R599 WeakPolarHBondContact OE1-CA 3.47Š|
| 600 | G | 79.5 | Confident | 90.7 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 75% | 0.753 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 7.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | E598 | E598-G600 PolarHBondContact O-N 3.21Š|
| 601 | K | 85.8 | Confident | 90.5 | Very high | 113 Ų | 113 | 65.3 Ų | 65.3 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 93 | 171.9 | -60 | -163.2 | -161.4 | 164.4 | 0 | 111.2 | L597 E598 | L597-K601 PolarHBondContact N-O 3.3Å; E598-K601 HydrophobicContact CG-CB 3.87Å; E598-K601 HydrophobicContact CG-CD 3.83Å; E598-K601 HydrophobicContact CG-CG 3.86Å; E598-K601 PolarHBondContact O-N 3.49Å; E598-K601 WeakPolarHBondContact OE1-CD 3.19Å; E598-K601 WeakPolarHBondContact OE1-CE 3.4Å; E598-K601 IonicContact OE1-NZ 2.76Å; E598-K601 PolarHBondContact OE1-NZ 3.17Å |
| 602 | T | 90.8 | Very high | 90.4 | Very high | 52 Ų | 52 | 70.3 Ų | 70.3 | 32% | 0.319 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.1 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | E594 V595 | E594-T602 HydrophobicContact CB-CG2 3.82Å; E594-T602 HydrophobicContact CG-CG2 4.18Å; V595-T602 WeakPolarHBondContact O-CA 3.42Å |
| 603 | L | 91.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.2 | 170.1 | -53.4 | -176.7 | 0 | 0 | 0 | 108.8 | A42 L45 E594 V595 L597 I605 L625 | A42-L603 HydrophobicContact CB-CD1 3.83Å; A42-L603 HydrophobicContact CB-CD2 4.34Å; L45-L603 HydrophobicContact CD1-CD1 4.16Å; E594-L603 WeakPolarHBondContact CA-O 3.2Å; V595-L603 HydrophobicContact CB-CB 4.38Å; V595-L603 PolarHBondContact N-O 2.81Å; V595-L603 PolarHBondContact O-N 3.13Å; L597-L603 HydrophobicContact CD1-CD1 3.86Å; L597-L603 HydrophobicContact CD1-CD2 4.12Å; L597-L603 HydrophobicContact CD1-CG 4.05Å; L597-L603 HydrophobicContact CG-CD1 4.05Å; L597-L603 HydrophobicContact CG-CG 4.18Å; L603-I605 HydrophobicContact CB-CD1 4.08Å; L603-I605 HydrophobicContact CB-CG1 4.1Å; L603-I605 HydrophobicContact CD1-CD1 4.29Å; L603-L625 HydrophobicContact CB-CD1 3.92Å; L603-L625 HydrophobicContact CD1-CD1 4.31Å; L603-L625 HydrophobicContact CD2-CD1 4.23Å; L603-L625 HydrophobicContact CG-CD1 4.38Å |
| 604 | H | 94.6 | Very high | 89.9 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 112.7 | 167.4 | -59 | -86 | 0 | 0 | 0 | 107.8 | E594 L625 N626 | E594-H604 IonicContact OE1-CE1 3.91Å; E594-H604 PolarHBondContact OE1-CE1 3.44Å; E594-H604 IonicContact OE1-ND1 3.98Å; E594-H604 PolarHBondContact OE1-ND1 3.36Å; H604-L625 WeakPolarHBondContact O-CA 3.25Å; H604-N626 PolarHBondContact N-OD1 3.42Å; H604-N626 PolarHBondContact O-N 2.78Å |
| 605 | I | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.3 | -175 | -60.6 | 168 | 0 | 0 | 0 | 109.1 | L46 L49 E592 F593 V595 L603 F623 E624 L625 | L46-I605 HydrophobicContact CD2-CD1 4.02Å; L46-I605 HydrophobicContact CD2-CG1 4.22Å; L46-I605 HydrophobicContact CD2-CG2 3.71Å; L49-I605 HydrophobicContact CD1-CD1 4.29Å; E592-I605 WeakPolarHBondContact CA-O 3.2Å; F593-I605 HydrophobicContact CD2-CB 4.33Å; F593-I605 HydrophobicContact CE1-CB 4.2Å; F593-I605 HydrophobicContact CE1-CG2 3.96Å; F593-I605 HydrophobicContact CE2-CB 3.76Å; F593-I605 HydrophobicContact CE2-CD1 4.04Å; F593-I605 HydrophobicContact CE2-CG1 4.45Å; F593-I605 HydrophobicContact CE2-CG2 4.03Å; F593-I605 HydrophobicContact CZ-CB 3.69Å; F593-I605 HydrophobicContact CZ-CD1 4.47Å; F593-I605 HydrophobicContact CZ-CG2 3.46Å; F593-I605 VanDerWaalsContact CZ-CG2 3.46Å; F593-I605 PolarHBondContact N-O 3.23Å; F593-I605 PolarHBondContact O-N 3.06Å; V595-I605 HydrophobicContact CG2-CD1 4.14Å; L603-I605 HydrophobicContact CB-CD1 4.08Å; L603-I605 HydrophobicContact CB-CG1 4.1Å; L603-I605 HydrophobicContact CD1-CD1 4.29Å; I605-F623 HydrophobicContact CG2-CD1 3.91Å; I605-E624 CarbonylContact C-O 3.54Å; I605-E624 VanDerWaalsContact CA-O 3.31Å; I605-E624 WeakPolarHBondContact CA-O 3.3Å; I605-L625 HydrophobicContact CD1-CD1 4.29Å; I605-L625 HydrophobicContact CG1-CD1 3.63Å |
| 606 | K | 96.7 | Very high | 88.8 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 28% | 0.278 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.6 | 171.1 | -173.2 | 176.4 | -176.1 | 167 | 0 | 110.9 | E591 E592 L608 F623 E624 | E591-K606 VanDerWaalsContact O-CA 3.3Å; E591-K606 WeakPolarHBondContact O-CA 3.46Å; E592-K606 HydrophobicContact CB-CB 4.4Å; E592-K606 HydrophobicContact CB-CG 4.33Å; K606-L608 HydrophobicContact CD-CD2 4.09Å; K606-L608 HydrophobicContact CG-CD2 4.13Å; K606-F623 CarbonylContact O-C 3.49Å; K606-F623 VanDerWaalsContact O-CA 3.23Å; K606-F623 WeakPolarHBondContact O-CA 3.31Å; K606-E624 HydrophobicContact CB-CB 4.06Å; K606-E624 PolarHBondContact N-O 2.99Å; K606-E624 PolarHBondContact O-N 2.97Å |
| 607 | A | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | M53 P587 A590 E591 F623 | M53-A607 HydrophobicContact CE-CB 4.09Å; M53-A607 HydrophobicContact SD-CB 4.29Å; P587-A607 HydrophobicContact CB-CB 4.04Å; P587-A607 HydrophobicContact CG-CB 3.92Å; A590-A607 WeakPolarHBondContact CA-O 3.47Å; A590-A607 PolarHBondContact N-O 3.19Å; E591-A607 PolarHBondContact O-N 3.38Å; E591-A607 VanDerWaalsContact O-N 3.12Å; A607-F623 HydrophobicContact CB-CD1 4.11Å; A607-F623 HydrophobicContact CB-CE1 3.93Å |
| 608 | L | 95.4 | Very high | 89 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -49.8 | -170.9 | -63.1 | 175.5 | 0 | 0 | 0 | 113.1 | I589 K606 F622 E624 L629 | I589-L608 WeakPolarHBondContact CG2-O 3.46Å; K606-L608 HydrophobicContact CD-CD2 4.09Å; K606-L608 HydrophobicContact CG-CD2 4.13Å; L608-F622 HydrophobicContact CB-CB 4.12Å; L608-F622 WeakPolarHBondContact CB-O 3.27Å; L608-F622 PolarHBondContact N-O 3.13Å; L608-E624 HydrophobicContact CD1-CB 4.19Å; L608-E624 HydrophobicContact CD2-CB 4.46Å; L608-E624 HydrophobicContact CG-CB 4.43Å; L608-L629 HydrophobicContact CD1-CD1 3.32Å |
| 609 | A | 94.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 154 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F622 | A609-F622 HydrophobicContact CB-CB 4.4Å; A609-F622 HydrophobicContact CB-CD2 4.08Å; A609-F622 PolarHBondContact N-O 3.44Å; A609-F622 PolarHBondContact O-N 2.84Å |
| 610 | L | 93.8 | Very high | 90.6 | Very high | 72 Ų | 72 | 62 Ų | 62 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.5 | 167.8 | -176.6 | 69.8 | 0 | 0 | 0 | 109.1 | V54 R619 V621 | V54-L610 HydrophobicContact CG2-CD1 3.54Å; L610-R619 HydrophobicContact CD1-CB 4.23Å; L610-V621 HydrophobicContact CD1-CB 4.37Å; L610-V621 HydrophobicContact CD1-CG1 4.27Å; L610-V621 HydrophobicContact CD1-CG2 3.67Å |
| 611 | G | 90.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 165.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R619 E620 | G611-R619 PolarHBondContact O-NH1 3.17Å; G611-E620 WeakPolarHBondContact CA-O 3.48Å; G611-E620 PolarHBondContact N-O 3.49Å |
| 612 | D | 91.5 | Very high | 91.9 | Very high | 149 Ų | 149 | 56 Ų | 56 | 80% | 0.797 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 160.8 | 175.5 | -69.9 | -41.9 | 0 | 0 | 0 | 112.6 | N614 | D612-N614 PolarHBondContact O-N 3.06Å |
| 613 | L | 90 | Very high | 92.2 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120.2 | 175.6 | -171.8 | 72.3 | 0 | 0 | 0 | 110.1 | G617 R619 D636 A639 | L613-G617 VanDerWaalsContact CD1-C 3.47Å; L613-R619 HydrophobicContact CD1-CG 4.14Å; L613-D636 HydrophobicContact CD1-CB 3.67Å; L613-A639 HydrophobicContact CD1-CB 4.12Å; L613-A639 HydrophobicContact CD2-CB 3.63Å |
| 614 | N | 88.2 | Confident | 92.4 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 168.5 | 175.6 | 77 | 18.9 | 0 | 0 | 0 | 112 | D612 G616 G617 Q618 | D612-N614 PolarHBondContact O-N 3.06Å; N614-G616 PolarHBondContact O-N 2.82Å; N614-G616 VanDerWaalsContact OD1-CA 3.25Å; N614-G616 WeakPolarHBondContact OD1-CA 3.35Å; N614-G616 PolarHBondContact OD1-N 3.16Å; N614-G617 PolarHBondContact O-N 3.3Å; N614-G617 PolarHBondContact OD1-N 2.96Å; N614-G617 VanDerWaalsContact OD1-N 3.17Å; N614-Q618 WeakPolarHBondContact CB-O 3.31Å; N614-Q618 PolarHBondContact N-O 2.86Å; N614-Q618 PolarHBondContact ND2-O 3.32Å; N614-Q618 PolarHBondContact OD1-N 2.95Å; N614-Q618 PolarHBondContact OD1-O 2.84Å |
| 615 | K | 81.5 | Confident | 92.4 | Very high | 206 Ų | 206 | 53.5 Ų | 53.5 | 90% | 0.896 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19 | 178.7 | -65.4 | -176 | -178.8 | 178.5 | 0 | 114.1 | G617 | K615-G617 VanDerWaalsContact C-N 3.33Š|
| 616 | G | 80 | Confident | 92.2 | Very high | 39 Ų | 39 | 57.6 Ų | 57.6 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N614 | N614-G616 PolarHBondContact O-N 2.82Å; N614-G616 VanDerWaalsContact OD1-CA 3.25Å; N614-G616 WeakPolarHBondContact OD1-CA 3.35Å; N614-G616 PolarHBondContact OD1-N 3.16Å |
| 617 | G | 86.5 | Confident | 91.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 76.5 | 25.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L613 N614 K615 D636 | L613-G617 VanDerWaalsContact CD1-C 3.47Å; N614-G617 PolarHBondContact O-N 3.3Å; N614-G617 PolarHBondContact OD1-N 2.96Å; N614-G617 VanDerWaalsContact OD1-N 3.17Å; K615-G617 VanDerWaalsContact C-N 3.33Å; G617-D636 PolarHBondContact O-N 2.95Å |
| 618 | Q | 91.8 | Very high | 91.8 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.4 | -179.8 | -53.2 | 175.7 | -66 | 0 | 0 | 110.9 | N614 V634 K635 | N614-Q618 WeakPolarHBondContact CB-O 3.31Å; N614-Q618 PolarHBondContact N-O 2.86Å; N614-Q618 PolarHBondContact ND2-O 3.32Å; N614-Q618 PolarHBondContact OD1-N 2.95Å; N614-Q618 PolarHBondContact OD1-O 2.84Å; Q618-V634 CarbonylContact C-O 3.46Å; Q618-V634 WeakPolarHBondContact CA-O 3.5Å; Q618-V634 WeakPolarHBondContact CB-O 3.37Å; Q618-K635 HydrophobicContact CG-CB 4.49Å |
| 619 | R | 93.9 | Very high | 91.7 | Very high | 62 Ų | 62 | 65.1 Ų | 65.1 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.8 | 171.4 | -65.7 | 179.1 | 179.4 | -88.8 | 2.1 | 109.4 | V54 L610 G611 L613 V634 D636 | V54-R619 HydrophobicContact CG2-CB 4.15Å; L610-R619 HydrophobicContact CD1-CB 4.23Å; G611-R619 PolarHBondContact O-NH1 3.17Å; L613-R619 HydrophobicContact CD1-CG 4.14Å; R619-V634 PolarHBondContact N-O 2.82Å; R619-V634 PolarHBondContact O-N 2.9Å; R619-D636 IonicContact CZ-OD2 3.55Å; R619-D636 IonicContact NE-OD2 3.42Å; R619-D636 PolarHBondContact NE-OD2 2.9Å; R619-D636 IonicContact NH2-OD2 2.82Å |
| 620 | E | 95.5 | Very high | 91.7 | Very high | 68 Ų | 68 | 67.4 Ų | 67.4 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.8 | 172.5 | -168.2 | 166.5 | -158.6 | 0 | 0 | 109.4 | G611 F622 S631 V632 L633 | G611-E620 WeakPolarHBondContact CA-O 3.48Å; G611-E620 PolarHBondContact N-O 3.49Å; E620-F622 HydrophobicContact CB-CE2 4.19Å; E620-F622 HydrophobicContact CB-CZ 4.25Å; E620-F622 HydrophobicContact CG-CE1 4.15Å; E620-F622 HydrophobicContact CG-CE2 4Å; E620-F622 HydrophobicContact CG-CZ 3.71Å; E620-S631 WeakPolarHBondContact OE1-CB 3.37Å; E620-S631 PolarHBondContact OE1-OG 2.82Å; E620-V632 WeakPolarHBondContact CA-O 3.44Å; E620-L633 HydrophobicContact CB-CD2 3.86Å; E620-L633 HydrophobicContact CG-CD2 4.18Å |
| 621 | V | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128 | 177.3 | -161.2 | 0 | 0 | 0 | 0 | 108.6 | M53 V54 L610 F623 S631 V632 V634 | M53-V621 HydrophobicContact CE-CG1 4.13Å; M53-V621 HydrophobicContact SD-CG1 3.75Å; V54-V621 HydrophobicContact CG2-CG2 4.04Å; L610-V621 HydrophobicContact CD1-CB 4.37Å; L610-V621 HydrophobicContact CD1-CG1 4.27Å; L610-V621 HydrophobicContact CD1-CG2 3.67Å; V621-F623 HydrophobicContact CB-CE2 3.86Å; V621-F623 HydrophobicContact CB-CZ 4.45Å; V621-F623 HydrophobicContact CG1-CD2 4.35Å; V621-F623 HydrophobicContact CG1-CE2 3.55Å; V621-F623 HydrophobicContact CG1-CZ 3.7Å; V621-S631 CarbonylContact O-C 3.58Å; V621-S631 VanDerWaalsContact O-CA 3.25Å; V621-S631 WeakPolarHBondContact O-CA 3.47Å; V621-V632 HydrophobicContact CB-CG2 3.78Å; V621-V632 HydrophobicContact CG2-CG2 4.17Å; V621-V632 PolarHBondContact N-O 2.94Å; V621-V632 PolarHBondContact O-N 2.77Å; V621-V634 HydrophobicContact CG2-CB 4.29Å; V621-V634 HydrophobicContact CG2-CG2 3.78Å |
| 622 | F | 96.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.5 | -177.4 | -62.2 | -87.2 | 0 | 0 | 0 | 110.7 | L608 A609 E620 | L608-F622 HydrophobicContact CB-CB 4.12Å; L608-F622 WeakPolarHBondContact CB-O 3.27Å; L608-F622 PolarHBondContact N-O 3.13Å; A609-F622 HydrophobicContact CB-CB 4.4Å; A609-F622 HydrophobicContact CB-CD2 4.08Å; A609-F622 PolarHBondContact N-O 3.44Å; A609-F622 PolarHBondContact O-N 2.84Å; E620-F622 HydrophobicContact CB-CE2 4.19Å; E620-F622 HydrophobicContact CB-CZ 4.25Å; E620-F622 HydrophobicContact CG-CE1 4.15Å; E620-F622 HydrophobicContact CG-CE2 4Å; E620-F622 HydrophobicContact CG-CZ 3.71Å |
| 623 | F | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.8 | 176.6 | -64.3 | -85.3 | 0 | 0 | 0 | 110.5 | L46 L49 M53 P587 I605 K606 A607 V621 R630 V632 | L46-F623 HydrophobicContact CB-CD2 4.2Å; L46-F623 HydrophobicContact CB-CE2 4.41Å; L46-F623 HydrophobicContact CD1-CB 4.24Å; L46-F623 HydrophobicContact CD2-CB 3.95Å; L46-F623 HydrophobicContact CD2-CD1 4.02Å; L46-F623 HydrophobicContact CD2-CD2 4.11Å; L46-F623 HydrophobicContact CD2-CG 3.77Å; L49-F623 HydrophobicContact CB-CE1 4.2Å; L49-F623 HydrophobicContact CB-CZ 3.95Å; M53-F623 HydrophobicContact SD-CE1 4.04Å; M53-F623 HydrophobicContact SD-CZ 3.79Å; P587-F623 HydrophobicContact CG-CE1 4.24Å; I605-F623 HydrophobicContact CG2-CD1 3.91Å; K606-F623 CarbonylContact O-C 3.49Å; K606-F623 VanDerWaalsContact O-CA 3.23Å; K606-F623 WeakPolarHBondContact O-CA 3.31Å; A607-F623 HydrophobicContact CB-CD1 4.11Å; A607-F623 HydrophobicContact CB-CE1 3.93Å; V621-F623 HydrophobicContact CB-CE2 3.86Å; V621-F623 HydrophobicContact CB-CZ 4.45Å; V621-F623 HydrophobicContact CG1-CD2 4.35Å; V621-F623 HydrophobicContact CG1-CE2 3.55Å; V621-F623 HydrophobicContact CG1-CZ 3.7Å; F623-R630 PolarHBondContact N-O 2.96Å; F623-R630 PolarHBondContact O-N 2.88Å; F623-V632 HydrophobicContact CD2-CG2 4.17Å; F623-V632 HydrophobicContact CE2-CG2 3.69Å |
| 624 | E | 95.9 | Very high | 92.1 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130 | 157.3 | -162.5 | 179.6 | 111.9 | 0 | 0 | 107.9 | I605 K606 L608 | I605-E624 CarbonylContact C-O 3.54Å; I605-E624 VanDerWaalsContact CA-O 3.31Å; I605-E624 WeakPolarHBondContact CA-O 3.3Å; K606-E624 HydrophobicContact CB-CB 4.06Å; K606-E624 PolarHBondContact N-O 2.99Å; K606-E624 PolarHBondContact O-N 2.97Å; L608-E624 HydrophobicContact CD1-CB 4.19Å; L608-E624 HydrophobicContact CD2-CB 4.46Å; L608-E624 HydrophobicContact CG-CB 4.43Å |
| 625 | L | 93.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 112.8 | 176.4 | 173.4 | 69.8 | 0 | 0 | 0 | 108.4 | A42 L46 L603 H604 I605 G627 Q628 R630 | A42-L625 HydrophobicContact CB-CD2 3.77Å; L46-L625 HydrophobicContact CD1-CB 4.36Å; L46-L625 HydrophobicContact CD1-CD2 4.23Å; L603-L625 HydrophobicContact CB-CD1 3.92Å; L603-L625 HydrophobicContact CD1-CD1 4.31Å; L603-L625 HydrophobicContact CD2-CD1 4.23Å; L603-L625 HydrophobicContact CG-CD1 4.38Å; H604-L625 WeakPolarHBondContact O-CA 3.25Å; I605-L625 HydrophobicContact CD1-CD1 4.29Å; I605-L625 HydrophobicContact CG1-CD1 3.63Å; L625-G627 PolarHBondContact O-N 3.04Å; L625-Q628 PolarHBondContact N-O 2.93Å; L625-Q628 WeakPolarHBondContact O-CB 3.15Å; L625-Q628 PolarHBondContact O-N 2.58Å; L625-R630 HydrophobicContact CB-CG 4.08Å; L625-R630 HydrophobicContact CD2-CG 4.42Å |
| 626 | N | 92.3 | Very high | 92.7 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 45.8 | -176.9 | -62.3 | -10.1 | 0 | 0 | 0 | 112.2 | H604 Q628 | H604-N626 PolarHBondContact N-OD1 3.42Å; H604-N626 PolarHBondContact O-N 2.78Å; N626-Q628 VanDerWaalsContact C-N 3.26Å; N626-Q628 PolarHBondContact O-N 3.17Å |
| 627 | G | 89.8 | Confident | 93.1 | Very high | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 1.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L625 | L625-G627 PolarHBondContact O-N 3.04Š|
| 628 | Q | 92.9 | Very high | 92.8 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.3 | 177.4 | -61.6 | -170.2 | 1.9 | 0 | 0 | 111.8 | L625 N626 R630 | L625-Q628 PolarHBondContact N-O 2.93Å; L625-Q628 WeakPolarHBondContact O-CB 3.15Å; L625-Q628 PolarHBondContact O-N 2.58Å; N626-Q628 VanDerWaalsContact C-N 3.26Å; N626-Q628 PolarHBondContact O-N 3.17Å; Q628-R630 PolarHBondContact O-N 3.04Å |
| 629 | L | 94.7 | Very high | 92.2 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 60% | 0.597 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134 | 172.4 | -168.9 | 70.4 | 0 | 0 | 0 | 110.5 | L608 | L608-L629 HydrophobicContact CD1-CD1 3.32Å |
| 630 | R | 93.8 | Very high | 91.2 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 145.9 | 174.5 | -68.7 | -66.5 | -174.2 | -97.9 | -1.9 | 108.7 | L46 F623 L625 Q628 | L46-R630 HydrophobicContact CD1-CB 3.69Å; L46-R630 HydrophobicContact CD1-CG 4.03Å; F623-R630 PolarHBondContact N-O 2.96Å; F623-R630 PolarHBondContact O-N 2.88Å; L625-R630 HydrophobicContact CB-CG 4.08Å; L625-R630 HydrophobicContact CD2-CG 4.42Å; Q628-R630 PolarHBondContact O-N 3.04Å |
| 631 | S | 93.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152 | 168.3 | 70.3 | 0 | 0 | 0 | 0 | 111.1 | Q43 E620 V621 | Q43-S631 PolarHBondContact NE2-O 3.37Å; E620-S631 WeakPolarHBondContact OE1-CB 3.37Å; E620-S631 PolarHBondContact OE1-OG 2.82Å; V621-S631 CarbonylContact O-C 3.58Å; V621-S631 VanDerWaalsContact O-CA 3.25Å; V621-S631 WeakPolarHBondContact O-CA 3.47Å |
| 632 | V | 93.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.7 | 173.7 | -68.6 | 0 | 0 | 0 | 0 | 109.2 | L46 H47 E620 V621 F623 V634 | L46-V632 HydrophobicContact CB-CG1 3.98Å; H47-V632 HydrophobicContact CB-CG1 4.42Å; E620-V632 WeakPolarHBondContact CA-O 3.44Å; V621-V632 HydrophobicContact CB-CG2 3.78Å; V621-V632 HydrophobicContact CG2-CG2 4.17Å; V621-V632 PolarHBondContact N-O 2.94Å; V621-V632 PolarHBondContact O-N 2.77Å; F623-V632 HydrophobicContact CD2-CG2 4.17Å; F623-V632 HydrophobicContact CE2-CG2 3.69Å; V632-V634 HydrophobicContact CG2-CG2 4.08Å |
| 633 | L | 93 | Very high | 86.9 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.7 | 173.1 | -76.7 | 169 | 0 | 0 | 0 | 109.4 | E620 | E620-L633 HydrophobicContact CB-CD2 3.86Å; E620-L633 HydrophobicContact CG-CD2 4.18Å |
| 634 | V | 93.9 | Very high | 85 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.4 | -175.2 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | H51 V54 Q618 R619 V621 V632 | H51-V634 HydrophobicContact CB-CG1 4.42Å; V54-V634 HydrophobicContact CB-CG1 3.74Å; V54-V634 HydrophobicContact CG1-CG1 4.06Å; V54-V634 HydrophobicContact CG2-CB 4.06Å; V54-V634 HydrophobicContact CG2-CG1 3.84Å; Q618-V634 CarbonylContact C-O 3.46Å; Q618-V634 WeakPolarHBondContact CA-O 3.5Å; Q618-V634 WeakPolarHBondContact CB-O 3.37Å; R619-V634 PolarHBondContact N-O 2.82Å; R619-V634 PolarHBondContact O-N 2.9Å; V621-V634 HydrophobicContact CG2-CB 4.29Å; V621-V634 HydrophobicContact CG2-CG2 3.78Å; V632-V634 HydrophobicContact CG2-CG2 4.08Å |
| 635 | K | 91.7 | Very high | 83.2 | Confident | 115 Ų | 115 | 79.8 Ų | 79.8 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.6 | 176 | -169.5 | -180 | -179.9 | -175.6 | 0 | 110.2 | N55 Q618 T637 M640 | N55-K635 PolarHBondContact ND2-O 3.25Å; N55-K635 PolarHBondContact OD1-O 3.36Å; Q618-K635 HydrophobicContact CG-CB 4.49Å; K635-T637 PolarHBondContact O-N 3.32Å; K635-M640 HydrophobicContact CD-CE 4.46Å; K635-M640 HydrophobicContact CD-SD 3.76Å; K635-M640 WeakPolarHBondContact CE-SD 3.5Å; K635-M640 HydrophobicContact CG-SD 3.36Å; K635-M640 WeakPolarHBondContact CG-SD 3.23Å |
| 636 | D | 91.4 | Very high | 81.9 | Confident | 12 Ų | 12 | 86.8 Ų | 86.8 | 6% | 0.064 | 44% | 0.437 | C | S | . | . | trans | -87.3 | 99.7 | 177 | -173.7 | -34.3 | 0 | 0 | 0 | 109.2 | V54 L613 G617 R619 V638 A639 M640 | V54-D636 HydrophobicContact CG1-CB 3.92Å; L613-D636 HydrophobicContact CD1-CB 3.67Å; G617-D636 PolarHBondContact O-N 2.95Å; R619-D636 IonicContact CZ-OD2 3.55Å; R619-D636 IonicContact NE-OD2 3.42Å; R619-D636 PolarHBondContact NE-OD2 2.9Å; R619-D636 IonicContact NH2-OD2 2.82Å; D636-V638 VanDerWaalsContact C-N 3.28Å; D636-V638 PolarHBondContact O-N 3.29Å; D636-V638 PolarHBondContact OD1-N 3.42Å; D636-A639 HydrophobicContact CB-CB 4.06Å; D636-A639 WeakPolarHBondContact OD1-CB 3.39Å; D636-A639 PolarHBondContact OD1-N 3.45Å; D636-M640 VanDerWaalsContact O-CB 3.3Å; D636-M640 WeakPolarHBondContact O-CB 3.19Å; D636-M640 WeakPolarHBondContact O-CG 3.25Å; D636-M640 PolarHBondContact O-N 2.79Å | ||
| 637 | T | 87 | Confident | 80.9 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -24.8 | -173.1 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | N55 K635 | N55-T637 WeakPolarHBondContact OD1-CB 3.33Å; N55-T637 PolarHBondContact OD1-N 3.48Å; N55-T637 PolarHBondContact OD1-OG1 3.46Å; K635-T637 PolarHBondContact O-N 3.32Å |
| 638 | V | 81.6 | Confident | 80.3 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -52.8 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | D636 M640 K641 | D636-V638 VanDerWaalsContact C-N 3.28Å; D636-V638 PolarHBondContact O-N 3.29Å; D636-V638 PolarHBondContact OD1-N 3.42Å; V638-M640 PolarHBondContact O-N 2.83Å; V638-K641 WeakPolarHBondContact O-CB 3.3Å; V638-K641 PolarHBondContact O-N 2.67Å |
| 639 | A | 78 | Confident | 79.7 | Confident | 20 Ų | 20 | 92 Ų | 92 | 17% | 0.165 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.8 | -34.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L613 D636 K641 E642 M643 | L613-A639 HydrophobicContact CD1-CB 4.12Å; L613-A639 HydrophobicContact CD2-CB 3.63Å; D636-A639 HydrophobicContact CB-CB 4.06Å; D636-A639 WeakPolarHBondContact OD1-CB 3.39Å; D636-A639 PolarHBondContact OD1-N 3.45Å; A639-K641 VanDerWaalsContact C-N 3.28Å; A639-K641 PolarHBondContact O-N 2.82Å; A639-E642 PolarHBondContact O-N 3.49Å; A639-E642 VanDerWaalsContact O-N 3.17Å; A639-M643 WeakPolarHBondContact O-CG 3.37Å; A639-M643 PolarHBondContact O-N 2.85Å |
| 640 | M | 72.7 | Confident | 79.1 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.9 | -20.1 | 177.7 | -79.3 | -163.5 | 53.5 | 0 | 0 | 115.4 | K635 D636 V638 E642 M643 F645 | K635-M640 HydrophobicContact CD-CE 4.46Å; K635-M640 HydrophobicContact CD-SD 3.76Å; K635-M640 WeakPolarHBondContact CE-SD 3.5Å; K635-M640 HydrophobicContact CG-SD 3.36Å; K635-M640 WeakPolarHBondContact CG-SD 3.23Å; D636-M640 VanDerWaalsContact O-CB 3.3Å; D636-M640 WeakPolarHBondContact O-CB 3.19Å; D636-M640 WeakPolarHBondContact O-CG 3.25Å; D636-M640 PolarHBondContact O-N 2.79Å; V638-M640 PolarHBondContact O-N 2.83Å; M640-E642 PolarHBondContact O-N 2.89Å; M640-M643 HydrophobicContact CG-SD 4.47Å; M640-M643 PolarHBondContact O-N 2.83Å; M640-F645 HydrophobicContact CB-CE2 4.34Å; M640-F645 HydrophobicContact CE-CD2 3.66Å; M640-F645 HydrophobicContact CE-CE2 3.35Å; M640-F645 HydrophobicContact CE-CG 4.38Å; M640-F645 HydrophobicContact CE-CZ 3.84Å; M640-F645 HydrophobicContact CG-CE2 3.84Å; M640-F645 HydrophobicContact CG-CZ 4.35Å; M640-F645 HydrophobicContact SD-CE2 4.07Å; M640-F645 HydrophobicContact SD-CZ 4.28Å |
| 641 | K | 72.2 | Confident | 78.1 | Confident | 182 Ų | 182 | 97.9 Ų | 97.9 | 79% | 0.791 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.7 | -27.4 | 173 | -70.3 | 175.7 | -176.2 | 177 | 0 | 112 | V638 A639 | V638-K641 WeakPolarHBondContact O-CB 3.3Å; V638-K641 PolarHBondContact O-N 2.67Å; A639-K641 VanDerWaalsContact C-N 3.28Å; A639-K641 PolarHBondContact O-N 2.82Å |
| 642 | E | 63.9 | Low | 77.2 | Confident | 176 Ų | 176 | 101 Ų | 101 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -88.2 | -19 | 178 | -59.9 | -174 | 167.5 | 0 | 0 | 112.3 | A639 M640 | A639-E642 PolarHBondContact O-N 3.49Å; A639-E642 VanDerWaalsContact O-N 3.17Å; M640-E642 PolarHBondContact O-N 2.89Å |
| 643 | M | 61.6 | Low | 76.5 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 30% | 0.3 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -86.4 | 121.9 | 178.6 | -66.1 | -178.2 | 79.5 | 0 | 0 | 111.7 | A639 M640 F645 | A639-M643 WeakPolarHBondContact O-CG 3.37Å; A639-M643 PolarHBondContact O-N 2.85Å; M640-M643 HydrophobicContact CG-SD 4.47Å; M640-M643 PolarHBondContact O-N 2.83Å; M643-F645 HydrophobicContact CB-CD2 3.91Å; M643-F645 HydrophobicContact CB-CE2 3.4Å; M643-F645 HydrophobicContact CB-CZ 4.2Å; M643-F645 HydrophobicContact CE-CE2 4.24Å; M643-F645 HydrophobicContact CE-CZ 3.84Å; M643-F645 HydrophobicContact CG-CE2 4.3Å; M643-F645 WeakPolarHBondContact O-CD2 3.42Å; M643-F645 PolarHBondContact O-N 2.91Å; M643-F645 VanDerWaalsContact O-N 3.13Å; M643-F645 HydrophobicContact SD-CE2 4.02Å; M643-F645 HydrophobicContact SD-CZ 4.06Å |
| 644 | K | 57.6 | Low | 75.8 | Confident | 202 Ų | 202 | 110.5 Ų | 110.5 | 88% | 0.878 | 54% | 0.544 | S | S | * | . | trans | -75.6 | 100.7 | 172.8 | -70.9 | -176.3 | -179.9 | 178.7 | 0 | 110.7 | ||||
| 645 | F | 59.3 | Low | 75.1 | Confident | 103 Ų | 103 | 114.1 Ų | 114.1 | 45% | 0.452 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -93.2 | 126.6 | 169.5 | -71.6 | -86.7 | 0 | 0 | 0 | 110.8 | M640 M643 | M640-F645 HydrophobicContact CB-CE2 4.34Å; M640-F645 HydrophobicContact CE-CD2 3.66Å; M640-F645 HydrophobicContact CE-CE2 3.35Å; M640-F645 HydrophobicContact CE-CG 4.38Å; M640-F645 HydrophobicContact CE-CZ 3.84Å; M640-F645 HydrophobicContact CG-CE2 3.84Å; M640-F645 HydrophobicContact CG-CZ 4.35Å; M640-F645 HydrophobicContact SD-CE2 4.07Å; M640-F645 HydrophobicContact SD-CZ 4.28Å; M643-F645 HydrophobicContact CB-CD2 3.91Å; M643-F645 HydrophobicContact CB-CE2 3.4Å; M643-F645 HydrophobicContact CB-CZ 4.2Å; M643-F645 HydrophobicContact CE-CE2 4.24Å; M643-F645 HydrophobicContact CE-CZ 3.84Å; M643-F645 HydrophobicContact CG-CE2 4.3Å; M643-F645 WeakPolarHBondContact O-CD2 3.42Å; M643-F645 PolarHBondContact O-N 2.91Å; M643-F645 VanDerWaalsContact O-N 3.13Å; M643-F645 HydrophobicContact SD-CE2 4.02Å; M643-F645 HydrophobicContact SD-CZ 4.06Å |
| 646 | H | 66.8 | Low | 74.8 | Confident | 165 Ų | 165 | 113 Ų | 113 | 76% | 0.764 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 129.9 | 170 | -66.7 | -75.6 | 0 | 0 | 0 | 109.5 | K648 | H646-K648 PolarHBondContact O-N 3.12Š|
| 647 | P | 70.1 | Confident | 74.4 | Confident | 130 Ų | 130 | 119.2 Ų | 119.2 | 84% | 0.844 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.6 | 176.5 | -24.4 | 32 | 0 | 0 | 0 | 111.1 | ||
| 648 | K | 77.3 | Confident | 74.4 | Confident | 195 Ų | 195 | 118.2 Ų | 118.2 | 85% | 0.848 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 134.4 | 174.2 | -69 | -172.1 | 178.4 | -178.8 | 0 | 109.2 | H646 Q650 | H646-K648 PolarHBondContact O-N 3.12Å; K648-Q650 PolarHBondContact O-N 2.95Å |
| 649 | A | 80.4 | Confident | 74.5 | Confident | 35 Ų | 35 | 118.1 Ų | 118.1 | 29% | 0.289 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 130.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q656 | A649-Q656 HydrophobicContact CB-CB 4.01Š|
| 650 | Q | 81.9 | Confident | 74.7 | Confident | 108 Ų | 108 | 123.6 Ų | 123.6 | 51% | 0.505 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 117.2 | 175.6 | -68.3 | -176.3 | -13.7 | 0 | 0 | 109.6 | K648 S652 I653 | K648-Q650 PolarHBondContact O-N 2.95Å; Q650-S652 PolarHBondContact O-N 3.48Å; Q650-S652 VanDerWaalsContact O-N 3.13Å; Q650-I653 HydrophobicContact CB-CB 4.46Å; Q650-I653 HydrophobicContact CB-CD1 4.41Å; Q650-I653 HydrophobicContact CB-CG1 4.18Å; Q650-I653 PolarHBondContact O-N 2.76Å; Q650-I653 VanDerWaalsContact O-N 3.07Å |
| 651 | K | 72.4 | Confident | 74.8 | Confident | 220 Ų | 220 | 128.6 Ų | 128.6 | 96% | 0.957 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -24.7 | -176.9 | -68.9 | -174.1 | 177 | -176.9 | 0 | 113.6 | ||
| 652 | S | 74.2 | Confident | 75.1 | Confident | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -16 | 178.8 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | Q650 | Q650-S652 PolarHBondContact O-N 3.48Å; Q650-S652 VanDerWaalsContact O-N 3.13Å |
| 653 | I | 78.9 | Confident | 76 | Confident | 78 Ų | 78 | 121.3 Ų | 121.3 | 40% | 0.4 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -101.8 | 109.9 | -177.5 | -58.4 | -170.3 | 0 | 0 | 0 | 110.3 | Q650 G655 Q656 | Q650-I653 HydrophobicContact CB-CB 4.46Å; Q650-I653 HydrophobicContact CB-CD1 4.41Å; Q650-I653 HydrophobicContact CB-CG1 4.18Å; Q650-I653 PolarHBondContact O-N 2.76Å; Q650-I653 VanDerWaalsContact O-N 3.07Å; I653-G655 PolarHBondContact O-N 3.02Å; I653-Q656 HydrophobicContact CB-CG 4.39Å; I653-Q656 HydrophobicContact CG2-CG 4.19Å; I653-Q656 PolarHBondContact O-N 2.77Å |
| 654 | K | 78.1 | Confident | 77 | Confident | 216 Ų | 216 | 127.3 Ų | 127.3 | 94% | 0.939 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 124.2 | 174.6 | -145 | 175.1 | -174.9 | 179.8 | 0 | 109.5 | ||
| 655 | G | 80.7 | Confident | 78.2 | Confident | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.9 | -8.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I653 | I653-G655 PolarHBondContact O-N 3.02Š|
| 656 | Q | 85.5 | Confident | 79.6 | Confident | 90 Ų | 90 | 126.3 Ų | 126.3 | 42% | 0.421 | 72% | 0.723 | S | S | . | * | trans | -94.6 | 123.1 | 170 | -62.3 | -170.7 | 11.7 | 0 | 0 | 110.9 | A649 I653 | A649-Q656 HydrophobicContact CB-CB 4.01Å; I653-Q656 HydrophobicContact CB-CG 4.39Å; I653-Q656 HydrophobicContact CG2-CG 4.19Å; I653-Q656 PolarHBondContact O-N 2.77Å | ||
| 657 | V | 82.8 | Confident | 80.5 | Confident | 143 Ų | 143 | 124.9 Ų | 124.9 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | trans | -107.9 | 114.2 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 658 | G | 85.5 | Confident | 81.5 | Confident | 42 Ų | 42 | 124.2 Ų | 124.2 | 43% | 0.433 | 71% | 0.71 | S | S | . | * | trans | -90.8 | 156.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 659 | A | 85 | Confident | 82.1 | Confident | 90 Ų | 90 | 123.2 Ų | 123.2 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | -66.8 | 127.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M661 | A659-M661 VanDerWaalsContact C-N 3.3Å; A659-M661 PolarHBondContact O-N 3.34Å | ||
| 660 | P | 81.7 | Confident | 82.6 | Confident | 135 Ų | 135 | 125.9 Ų | 125.9 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -75.7 | -20.1 | -178.3 | 29.3 | -34.3 | 0 | 0 | 0 | 113 | ||
| 661 | M | 75.8 | Confident | 83 | Confident | 142 Ų | 142 | 128.9 Ų | 128.9 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -153.7 | 160.5 | 179.2 | 59.6 | -177.1 | -80.2 | 0 | 0 | 111.2 | A659 | A659-M661 VanDerWaalsContact C-N 3.3Å; A659-M661 PolarHBondContact O-N 3.34Å |
| 662 | P | 78.1 | Confident | 83.6 | Confident | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -60.3 | 141 | 175.3 | -22.2 | 33.9 | 0 | 0 | 0 | 112.5 | ||||
| 663 | G | 83.4 | Confident | 84.3 | Confident | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | -178.8 | -176 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 664 | K | 81 | Confident | 84.7 | Confident | 188 Ų | 188 | 123.1 Ų | 123.1 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | trans | -114.3 | 137.5 | 176.4 | -168.8 | 177 | -179.9 | -177.9 | 0 | 109.8 | L666 | K664-L666 PolarHBondContact O-N 3.4Š| ||
| 665 | V | 84.1 | Confident | 85.2 | Confident | 112 Ų | 112 | 122.9 Ų | 122.9 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | -70 | 115.4 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | V668 | V665-V668 HydrophobicContact CG1-CG2 3.88Š| ||
| 666 | L | 87.3 | Confident | 85.5 | Confident | 171 Ų | 171 | 124.7 Ų | 124.7 | 90% | 0.895 | 72% | 0.724 | S | S | * | * | trans | -83.9 | -39.7 | 178.1 | -65.8 | 175.4 | 0 | 0 | 0 | 111.6 | K664 | K664-L666 PolarHBondContact O-N 3.4Š| ||
| 667 | E | 87.4 | Confident | 85.4 | Confident | 136 Ų | 136 | 125.9 Ų | 125.9 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -154.4 | 144 | -174.8 | -169.5 | -176.3 | -167.7 | 0 | 0 | 110.1 | K669 | E667-K669 HydrophobicContact CG-CG 4.35Å; E667-K669 WeakPolarHBondContact OE2-CE 3.33Å | ||
| 668 | V | 90.4 | Very high | 85 | Confident | 115 Ų | 115 | 128.2 Ų | 128.2 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | -108.8 | 105.9 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | V665 V670 | V665-V668 HydrophobicContact CG1-CG2 3.88Å; V668-V670 WeakPolarHBondContact CG1-O 3.1Å | ||
| 669 | K | 90.1 | Very high | 84.9 | Confident | 174 Ų | 174 | 132.6 Ų | 132.6 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -85.9 | -9.6 | -170.9 | -64.7 | -169.6 | 174.9 | -173.4 | 0 | 115.4 | E667 | E667-K669 HydrophobicContact CG-CG 4.35Å; E667-K669 WeakPolarHBondContact OE2-CE 3.33Å | ||
| 670 | V | 90.1 | Very high | 84.9 | Confident | 91 Ų | 91 | 134.8 Ų | 134.8 | 55% | 0.552 | 78% | 0.784 | S | S | * | * | trans | -140.5 | 154.5 | -175.7 | -66 | 0 | 0 | 0 | 0 | 110.8 | V668 V676 | V668-V670 WeakPolarHBondContact CG1-O 3.1Å; V670-V676 HydrophobicContact CG1-CG1 4.02Å | ||
| 671 | K | 89.8 | Confident | 85.1 | Confident | 171 Ų | 171 | 134.8 Ų | 134.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -119.4 | 161.6 | 176.2 | 63.1 | -177.7 | 179.2 | -177.2 | 0 | 111.4 | G673 S674 | K671-G673 PolarHBondContact O-N 2.81Å; K671-S674 WeakPolarHBondContact CG-OG 3.38Å; K671-S674 PolarHBondContact N-OG 3.27Å; K671-S674 VanDerWaalsContact O-CB 3.29Å; K671-S674 WeakPolarHBondContact O-CB 3.46Å; K671-S674 PolarHBondContact O-N 3.31Å; K671-S674 PolarHBondContact O-OG 3.21Å | ||
| 672 | V | 86.4 | Confident | 85.7 | Confident | 156 Ų | 156 | 134.4 Ų | 134.4 | 95% | 0.945 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 130.5 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 110 | ||
| 673 | G | 87.6 | Confident | 86.1 | Confident | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.2 | -2.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K671 | K671-G673 PolarHBondContact O-N 2.81Š|
| 674 | S | 88.6 | Confident | 86.3 | Confident | 51 Ų | 51 | 138.6 Ų | 138.6 | 36% | 0.357 | 78% | 0.778 | S | S | . | * | trans | -71.6 | 132.2 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | K671 | K671-S674 WeakPolarHBondContact CG-OG 3.38Å; K671-S674 PolarHBondContact N-OG 3.27Å; K671-S674 VanDerWaalsContact O-CB 3.29Å; K671-S674 WeakPolarHBondContact O-CB 3.46Å; K671-S674 PolarHBondContact O-N 3.31Å; K671-S674 PolarHBondContact O-OG 3.21Å | ||
| 675 | K | 87.9 | Confident | 86.7 | Confident | 211 Ų | 211 | 135.1 Ų | 135.1 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -76.4 | 131.1 | 167.5 | -72 | -175.6 | 177.8 | -179.3 | 0 | 109.2 | ||||
| 676 | V | 86.9 | Confident | 86.9 | Confident | 114 Ų | 114 | 136.8 Ų | 136.8 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -125 | 143.6 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 109.1 | V670 | V670-V676 HydrophobicContact CG1-CG1 4.02Š| ||
| 677 | S | 83.6 | Confident | 86.9 | Confident | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -102.6 | 147.5 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 678 | S | 73.7 | Confident | 86.8 | Confident | 192 Ų | 192 | 133.8 Ų | 133.8 | 100% | 1.343 | 79% | 0.786 | S | S | * | * | trans | -66.1 | 0 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 678 of 678 residues in 632.4 ms
(Link to these results)