| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 72 | Confident | 90.7 | Very high | 220 Ų | 220 | 73.6 Ų | 73.6 | 100% | 1.084 | 37% | 0.373 | S | S | * | . | 0 | 134.9 | 0 | -70.2 | -169.9 | -74.3 | 0 | 0 | 107.5 | D6 | M1-D6 WeakPolarHBondContact CA-OD2 3.44Å; M1-D6 WeakPolarHBondContact CB-OD2 3.37Å | |||
| 2 | G | 88.9 | Confident | 91 | Very high | 12 Ų | 12 | 77.1 Ų | 77.1 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | trans | -164.5 | 157.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G4 S5 D6 | G2-G4 VanDerWaalsContact C-N 3.29Å; G2-G4 PolarHBondContact O-N 3.38Å; G2-S5 PolarHBondContact N-OG 3.32Å; G2-S5 PolarHBondContact O-N 3.49Å; G2-S5 PolarHBondContact O-OG 2.83Å; G2-S5 VanDerWaalsContact O-OG 3.05Å; G2-D6 PolarHBondContact N-OD2 3.1Å; G2-D6 WeakPolarHBondContact O-CB 3.07Å; G2-D6 PolarHBondContact O-N 3.46Å; G2-D6 VanDerWaalsContact O-OD2 3.1Å | ||
| 3 | F | 96.4 | Very high | 91.3 | Very high | 35 Ų | 35 | 75.6 Ų | 75.6 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | -174.7 | -73.4 | 7.7 | 0 | 0 | 0 | 111.3 | S5 L7 L14 L17 L208 L211 Q212 | F3-S5 PolarHBondContact O-N 3.16Å; F3-L7 HydrophobicContact CB-CD1 4.33Å; F3-L7 HydrophobicContact CD1-CD1 3.49Å; F3-L7 VanDerWaalsContact CD1-CD1 3.49Å; F3-L7 HydrophobicContact CD1-CG 4.5Å; F3-L7 HydrophobicContact CE1-CD1 3.88Å; F3-L7 HydrophobicContact CG-CD1 3.91Å; F3-L7 WeakPolarHBondContact O-CA 3.41Å; F3-L7 WeakPolarHBondContact O-CB 3.37Å; F3-L7 PolarHBondContact O-N 3Å; F3-L14 HydrophobicContact CD2-CD2 3.61Å; F3-L14 HydrophobicContact CE1-CD2 4.42Å; F3-L14 HydrophobicContact CE2-CD2 3.43Å; F3-L14 VanDerWaalsContact CE2-CD2 3.43Å; F3-L14 HydrophobicContact CG-CD2 4.2Å; F3-L14 HydrophobicContact CZ-CD2 3.87Å; F3-L17 HydrophobicContact CZ-CD2 3.97Å; F3-L208 HydrophobicContact CB-CB 3.9Å; F3-L208 WeakPolarHBondContact CB-O 3.22Å; F3-L208 WeakPolarHBondContact O-CD1 3.3Å; F3-L211 HydrophobicContact CD2-CD2 4.45Å; F3-L211 HydrophobicContact CD2-CG 4.5Å; F3-L211 HydrophobicContact CE2-CD2 4.49Å; F3-L211 HydrophobicContact CE2-CG 4.49Å; F3-Q212 HydrophobicContact CB-CB 4.14Å; F3-Q212 HydrophobicContact CD1-CB 4.28Å; F3-Q212 HydrophobicContact CD1-CG 4.27Å; F3-Q212 HydrophobicContact CD2-CB 3.67Å; F3-Q212 HydrophobicContact CD2-CG 4.4Å; F3-Q212 HydrophobicContact CE1-CG 4.44Å; F3-Q212 HydrophobicContact CE2-CB 4.11Å; F3-Q212 HydrophobicContact CG-CB 3.77Å; F3-Q212 HydrophobicContact CG-CG 4.26Å |
| 4 | G | 92.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68 | -32 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G2 K8 P205 D209 | G2-G4 VanDerWaalsContact C-N 3.29Å; G2-G4 PolarHBondContact O-N 3.38Å; G4-K8 WeakPolarHBondContact O-CE 3.38Å; G4-K8 WeakPolarHBondContact O-CG 3.36Å; G4-P205 WeakPolarHBondContact CA-O 3.45Å; G4-D209 VanDerWaalsContact CA-OD1 3.26Å; G4-D209 WeakPolarHBondContact CA-OD1 2.87Å; G4-D209 PolarHBondContact N-OD1 3.03Å |
| 5 | S | 90.9 | Very high | 92 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -81.1 | -40 | 175.9 | 49.2 | 0 | 0 | 0 | 0 | 113 | G2 F3 | G2-S5 PolarHBondContact N-OG 3.32Å; G2-S5 PolarHBondContact O-N 3.49Å; G2-S5 PolarHBondContact O-OG 2.83Å; G2-S5 VanDerWaalsContact O-OG 3.05Å; F3-S5 PolarHBondContact O-N 3.16Å |
| 6 | D | 94.3 | Very high | 92.3 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -108.4 | -19.9 | -161.7 | -58.2 | -49.1 | 0 | 0 | 0 | 113.9 | M1 G2 | M1-D6 WeakPolarHBondContact CA-OD2 3.44Å; M1-D6 WeakPolarHBondContact CB-OD2 3.37Å; G2-D6 PolarHBondContact N-OD2 3.1Å; G2-D6 WeakPolarHBondContact O-CB 3.07Å; G2-D6 PolarHBondContact O-N 3.46Å; G2-D6 VanDerWaalsContact O-OD2 3.1Å |
| 7 | L | 94.3 | Very high | 92.6 | Very high | 50 Ų | 50 | 72.4 Ų | 72.4 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | trans | -119.9 | 22.7 | -168.1 | -60 | -177.2 | 0 | 0 | 0 | 114.6 | F3 Y9 S10 L14 | F3-L7 HydrophobicContact CB-CD1 4.33Å; F3-L7 HydrophobicContact CD1-CD1 3.49Å; F3-L7 VanDerWaalsContact CD1-CD1 3.49Å; F3-L7 HydrophobicContact CD1-CG 4.5Å; F3-L7 HydrophobicContact CE1-CD1 3.88Å; F3-L7 HydrophobicContact CG-CD1 3.91Å; F3-L7 WeakPolarHBondContact O-CA 3.41Å; F3-L7 WeakPolarHBondContact O-CB 3.37Å; F3-L7 PolarHBondContact O-N 3Å; L7-Y9 PolarHBondContact O-N 3.34Å; L7-S10 PolarHBondContact O-N 2.69Å; L7-L14 HydrophobicContact CB-CD1 4.43Å; L7-L14 HydrophobicContact CD1-CD2 3.81Å; L7-L14 HydrophobicContact CD1-CG 4.35Å | ||
| 8 | K | 90.3 | Very high | 92.8 | Very high | 60 Ų | 60 | 68.3 Ų | 68.3 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -28.6 | -178.6 | -57.9 | -172.7 | -171.7 | -166.6 | 0 | 114.5 | G4 Y200 L204 P205 | G4-K8 WeakPolarHBondContact O-CE 3.38Å; G4-K8 WeakPolarHBondContact O-CG 3.36Å; K8-Y200 PolarHBondContact NZ-O 3.14Å; K8-L204 HydrophobicContact CB-CD2 4.27Å; K8-L204 WeakPolarHBondContact O-CD2 3.46Å; K8-P205 HydrophobicContact CD-CG 4.41Å |
| 9 | Y | 90.3 | Very high | 93.1 | Very high | 187 Ų | 187 | 67.5 Ų | 67.5 | 73% | 0.733 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 13.5 | -179.4 | -56 | -72.9 | 0 | 0 | 0 | 113.5 | L7 Y200 | L7-Y9 PolarHBondContact O-N 3.34Å; Y9-Y200 AromaticContact CE1-CE1 3.79Å; Y9-Y200 HydrophobicContact CE1-CE1 3.79Å |
| 10 | S | 93.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | trans | -116.6 | 32.8 | -167.4 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | L7 D12 A13 L14 | L7-S10 PolarHBondContact O-N 2.69Å; S10-D12 VanDerWaalsContact C-N 3.33Å; S10-D12 PolarHBondContact O-N 2.81Å; S10-A13 WeakPolarHBondContact O-CB 3.41Å; S10-A13 PolarHBondContact O-N 3.46Å; S10-L14 PolarHBondContact O-N 2.93Å; S10-L14 VanDerWaalsContact O-N 3.08Å | ||
| 11 | H | 93.9 | Very high | 93.5 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52 | -48.9 | 179.8 | 178.2 | 67.5 | 0 | 0 | 0 | 112.6 | A13 L14 L15 Y114 H118 | H11-A13 VanDerWaalsContact C-N 3.26Å; H11-A13 PolarHBondContact O-N 3.23Å; H11-L14 WeakPolarHBondContact O-CB 3.36Å; H11-L14 PolarHBondContact O-N 3.46Å; H11-L15 WeakPolarHBondContact NE2-CD1 3.27Å; H11-L15 PolarHBondContact O-N 2.98Å; H11-Y114 AromaticContact CE1-CE1 3.53Å; H11-Y114 AromaticContact CE1-CZ 3.96Å; H11-Y114 AromaticContact ND1-CE1 3.55Å; H11-Y114 AromaticContact ND1-CZ 3.57Å; H11-Y114 PolarHBondContact ND1-OH 2.88Å; H11-H118 AromaticContact CE1-CD2 3.87Å; H11-H118 AromaticContact CE1-CE1 3.99Å; H11-H118 AromaticContact CE1-CG 3.61Å; H11-H118 AromaticContact CE1-ND1 3.71Å; H11-H118 AromaticContact CG-CE1 3.74Å; H11-H118 AromaticContact CG-NE2 3.68Å; H11-H118 AromaticContact ND1-CD2 3.42Å; H11-H118 PolarHBondContact ND1-CD2 3.48Å; H11-H118 AromaticContact ND1-CE1 3.69Å; H11-H118 AromaticContact ND1-CG 3.65Å; H11-H118 AromaticContact ND1-ND1 3.82Å; H11-H118 AromaticContact ND1-NE2 3.44Å; H11-H118 PolarHBondContact ND1-NE2 3.3Å |
| 12 | D | 94.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 59.7 Ų | 59.7 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.2 | -35.3 | 179.3 | -72.9 | -17.6 | 0 | 0 | 0 | 112.8 | S10 L15 K16 | S10-D12 VanDerWaalsContact C-N 3.33Å; S10-D12 PolarHBondContact O-N 2.81Å; D12-L15 PolarHBondContact O-N 3.23Å; D12-K16 VanDerWaalsContact O-CG 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 3.18Å |
| 13 | A | 95.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 67 Ų | 67 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S10 H11 K16 L17 | S10-A13 WeakPolarHBondContact O-CB 3.41Å; S10-A13 PolarHBondContact O-N 3.46Å; H11-A13 VanDerWaalsContact C-N 3.26Å; H11-A13 PolarHBondContact O-N 3.23Å; A13-K16 PolarHBondContact O-N 3.45Å; A13-L17 WeakPolarHBondContact O-CB 3.47Å; A13-L17 PolarHBondContact O-N 3.14Å |
| 14 | L | 96.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.4 | -33.2 | 176.4 | -70.2 | 170.2 | 0 | 0 | 0 | 112.9 | F3 L7 S10 H11 L17 Q18 L208 L211 | F3-L14 HydrophobicContact CD2-CD2 3.61Å; F3-L14 HydrophobicContact CE1-CD2 4.42Å; F3-L14 HydrophobicContact CE2-CD2 3.43Å; F3-L14 VanDerWaalsContact CE2-CD2 3.43Å; F3-L14 HydrophobicContact CG-CD2 4.2Å; F3-L14 HydrophobicContact CZ-CD2 3.87Å; L7-L14 HydrophobicContact CB-CD1 4.43Å; L7-L14 HydrophobicContact CD1-CD2 3.81Å; L7-L14 HydrophobicContact CD1-CG 4.35Å; S10-L14 PolarHBondContact O-N 2.93Å; S10-L14 VanDerWaalsContact O-N 3.08Å; H11-L14 WeakPolarHBondContact O-CB 3.36Å; H11-L14 PolarHBondContact O-N 3.46Å; L14-L17 HydrophobicContact CD2-CD2 4.46Å; L14-Q18 WeakPolarHBondContact O-CG 3.41Å; L14-Q18 PolarHBondContact O-N 3.4Å; L14-Q18 VanDerWaalsContact O-N 3.14Å; L14-Q18 PolarHBondContact O-NE2 3.03Å; L14-L208 HydrophobicContact CD1-CD2 3.43Å; L14-L208 VanDerWaalsContact CD1-CD2 3.43Å; L14-L211 HydrophobicContact CB-CD2 4.48Å; L14-L211 HydrophobicContact CD1-CD2 4.47Å; L14-L211 HydrophobicContact CD2-CD2 4.44Å |
| 15 | L | 96.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 69.3 Ų | 69.3 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 171.1 | -66.4 | -174.7 | 0 | 0 | 0 | 111.4 | H11 D12 L17 Q18 D19 Y114 V115 | H11-L15 WeakPolarHBondContact NE2-CD1 3.27Å; H11-L15 PolarHBondContact O-N 2.98Å; D12-L15 PolarHBondContact O-N 3.23Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.34Å; L15-Q18 PolarHBondContact O-N 2.96Å; L15-D19 PolarHBondContact O-N 2.89Å; L15-Y114 HydrophobicContact CD2-CD1 4.12Å; L15-Y114 HydrophobicContact CD2-CE1 3.96Å; L15-V115 HydrophobicContact CD2-CG2 3.56Å |
| 16 | K | 96.4 | Very high | 95.7 | Very high | 149 Ų | 149 | 68.7 Ų | 68.7 | 65% | 0.648 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 176.1 | -74.1 | 172.9 | -177.9 | 174.7 | 0 | 112.1 | D12 A13 D19 W20 | D12-K16 VanDerWaalsContact O-CG 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 3.18Å; A13-K16 PolarHBondContact O-N 3.45Å; K16-D19 PolarHBondContact O-N 2.7Å; K16-W20 WeakPolarHBondContact O-CB 3.33Å; K16-W20 PolarHBondContact O-N 2.87Å |
| 17 | L | 96.5 | Very high | 95.9 | Very high | 59 Ų | 59 | 68.6 Ų | 68.6 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.6 | -51.8 | 174.6 | 176.4 | 62 | 0 | 0 | 0 | 110.9 | F3 A13 L14 L15 D19 W20 E21 | F3-L17 HydrophobicContact CZ-CD2 3.97Å; A13-L17 WeakPolarHBondContact O-CB 3.47Å; A13-L17 PolarHBondContact O-N 3.14Å; L14-L17 HydrophobicContact CD2-CD2 4.46Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.34Å; L17-D19 VanDerWaalsContact C-N 3.31Å; L17-D19 PolarHBondContact O-N 3.44Å; L17-W20 HydrophobicContact CD1-CE3 4.44Å; L17-W20 WeakPolarHBondContact O-CB 3.21Å; L17-W20 PolarHBondContact O-N 3.34Å; L17-W20 VanDerWaalsContact O-N 3.1Å; L17-E21 HydrophobicContact CD1-CG 4.27Å; L17-E21 WeakPolarHBondContact O-CG 3.31Å; L17-E21 PolarHBondContact O-N 3.07Å |
| 18 | Q | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 179.2 | -70.9 | 176.3 | 88.8 | 0 | 0 | 112.7 | L14 L15 W20 L22 K111 | L14-Q18 WeakPolarHBondContact O-CG 3.41Å; L14-Q18 PolarHBondContact O-N 3.4Å; L14-Q18 VanDerWaalsContact O-N 3.14Å; L14-Q18 PolarHBondContact O-NE2 3.03Å; L15-Q18 PolarHBondContact O-N 2.96Å; Q18-W20 VanDerWaalsContact C-N 3.35Å; Q18-L22 WeakPolarHBondContact O-CB 3.31Å; Q18-L22 WeakPolarHBondContact O-CG 3.4Å; Q18-L22 PolarHBondContact O-N 3.02Å; Q18-K111 HydrophobicContact CB-CD 4.32Å; Q18-K111 HydrophobicContact CB-CG 4.25Å; Q18-K111 VanDerWaalsContact OE1-CA 3.26Å |
| 19 | D | 97 | Very high | 96.4 | Very high | 53 Ų | 53 | 67.2 Ų | 67.2 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.9 | -33.4 | 174.7 | -82.9 | -40.4 | 0 | 0 | 0 | 113.7 | L15 K16 L17 R23 K111 | L15-D19 PolarHBondContact O-N 2.89Å; K16-D19 PolarHBondContact O-N 2.7Å; L17-D19 VanDerWaalsContact C-N 3.31Å; L17-D19 PolarHBondContact O-N 3.44Å; D19-R23 WeakPolarHBondContact O-CG 3.33Å; D19-R23 PolarHBondContact O-N 3.2Å; D19-R23 PolarHBondContact O-NE 3.15Å; D19-R23 VanDerWaalsContact O-NE 3.11Å; D19-K111 IonicContact OD1-NZ 3.63Å; D19-K111 PolarHBondContact OD1-NZ 2.72Å; D19-K111 IonicContact OD2-NZ 2.66Å; D19-K111 PolarHBondContact OD2-NZ 3.1Å |
| 20 | W | 97.8 | Very high | 96.7 | Very high | 143 Ų | 143 | 65 Ų | 65 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.5 | -46 | 174.8 | 175.9 | 86.5 | 0 | 0 | 0 | 110.9 | K16 L17 Q18 L22 R23 L24 | K16-W20 WeakPolarHBondContact O-CB 3.33Å; K16-W20 PolarHBondContact O-N 2.87Å; L17-W20 HydrophobicContact CD1-CE3 4.44Å; L17-W20 WeakPolarHBondContact O-CB 3.21Å; L17-W20 PolarHBondContact O-N 3.34Å; L17-W20 VanDerWaalsContact O-N 3.1Å; Q18-W20 VanDerWaalsContact C-N 3.35Å; W20-L22 VanDerWaalsContact C-N 3.35Å; W20-L22 PolarHBondContact O-N 2.88Å; W20-R23 WeakPolarHBondContact O-CB 3.36Å; W20-R23 PolarHBondContact O-N 3.04Å; W20-R23 VanDerWaalsContact O-N 3.14Å; W20-L24 HydrophobicContact CH2-CD2 3.77Å; W20-L24 HydrophobicContact CZ2-CD2 4.31Å; W20-L24 HydrophobicContact CZ3-CD2 4.1Å; W20-L24 PolarHBondContact O-N 3.4Å |
| 21 | E | 97.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 69.2 Ų | 69.2 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.9 | -69.6 | 177.7 | 146 | 0 | 0 | 111.7 | L17 R23 L24 L25 K107 | L17-E21 HydrophobicContact CD1-CG 4.27Å; L17-E21 WeakPolarHBondContact O-CG 3.31Å; L17-E21 PolarHBondContact O-N 3.07Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 3.28Å; E21-L24 WeakPolarHBondContact O-CB 3.33Å; E21-L24 PolarHBondContact O-N 3.16Å; E21-L25 WeakPolarHBondContact O-CG 3.46Å; E21-L25 PolarHBondContact O-N 3.22Å; E21-K107 WeakPolarHBondContact OE2-CE 3.34Å; E21-K107 IonicContact OE2-NZ 3.85Å; E21-K107 PolarHBondContact OE2-NZ 3.18Å |
| 22 | L | 97.9 | Very high | 97.1 | Very high | 21 Ų | 21 | 67.4 Ų | 67.4 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.2 | -82.1 | 168.6 | 0 | 0 | 0 | 112.3 | Q18 W20 L24 L25 E26 I104 K107 Q108 K111 | Q18-L22 WeakPolarHBondContact O-CB 3.31Å; Q18-L22 WeakPolarHBondContact O-CG 3.4Å; Q18-L22 PolarHBondContact O-N 3.02Å; W20-L22 VanDerWaalsContact C-N 3.35Å; W20-L22 PolarHBondContact O-N 2.88Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.49Å; L22-E26 WeakPolarHBondContact O-CG 3.12Å; L22-E26 PolarHBondContact O-N 2.89Å; L22-I104 HydrophobicContact CD2-CG2 4.36Å; L22-K107 HydrophobicContact CD1-CG 4.49Å; L22-K107 HydrophobicContact CD2-CB 3.68Å; L22-K107 HydrophobicContact CD2-CG 3.48Å; L22-K107 VanDerWaalsContact CD2-CG 3.48Å; L22-K107 HydrophobicContact CG-CB 4.46Å; L22-K107 HydrophobicContact CG-CG 3.72Å; L22-Q108 HydrophobicContact CD1-CG 4.23Å; L22-Q108 HydrophobicContact CD2-CG 3.75Å; L22-K111 HydrophobicContact CD1-CD 4.26Å |
| 23 | R | 97.3 | Very high | 97.2 | Very high | 165 Ų | 165 | 65.2 Ų | 65.2 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.1 | -37.9 | 176.1 | -79.8 | -178.6 | -99.3 | -177.4 | -11.6 | 112.1 | D19 W20 E21 T27 | D19-R23 WeakPolarHBondContact O-CG 3.33Å; D19-R23 PolarHBondContact O-N 3.2Å; D19-R23 PolarHBondContact O-NE 3.15Å; D19-R23 VanDerWaalsContact O-NE 3.11Å; W20-R23 WeakPolarHBondContact O-CB 3.36Å; W20-R23 PolarHBondContact O-N 3.04Å; W20-R23 VanDerWaalsContact O-N 3.14Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 3.28Å; R23-T27 PolarHBondContact O-N 3.36Å; R23-T27 PolarHBondContact O-OG1 3.44Å |
| 24 | L | 97.1 | Very high | 97.3 | Very high | 72 Ų | 72 | 67.6 Ų | 67.6 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -50.1 | 174.8 | 177.7 | 62.2 | 0 | 0 | 0 | 110.8 | W20 E21 L22 E26 T27 V28 | W20-L24 HydrophobicContact CH2-CD2 3.77Å; W20-L24 HydrophobicContact CZ2-CD2 4.31Å; W20-L24 HydrophobicContact CZ3-CD2 4.1Å; W20-L24 PolarHBondContact O-N 3.4Å; E21-L24 WeakPolarHBondContact O-CB 3.33Å; E21-L24 PolarHBondContact O-N 3.16Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.1Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-E26 PolarHBondContact O-N 2.95Å; L24-T27 WeakPolarHBondContact O-CA 3.34Å; L24-T27 WeakPolarHBondContact O-CB 3.4Å; L24-T27 PolarHBondContact O-N 3.29Å; L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 2.84Å |
| 25 | L | 97.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 178.7 | -66.8 | 178.1 | 0 | 0 | 0 | 112.4 | E21 L22 T27 V28 K29 L100 M103 I104 K107 L222 | E21-L25 WeakPolarHBondContact O-CG 3.46Å; E21-L25 PolarHBondContact O-N 3.22Å; L22-L25 PolarHBondContact O-N 3.49Å; L25-T27 VanDerWaalsContact C-N 3.28Å; L25-T27 PolarHBondContact O-N 3.2Å; L25-V28 PolarHBondContact O-N 3.32Å; L25-K29 WeakPolarHBondContact O-CB 3.31Å; L25-K29 PolarHBondContact O-N 2.63Å; L25-L100 HydrophobicContact CB-CD1 4.41Å; L25-L100 HydrophobicContact CD2-CD1 3.94Å; L25-M103 HydrophobicContact CD1-CE 4.01Å; L25-M103 HydrophobicContact CD2-CE 3.42Å; L25-M103 VanDerWaalsContact CD2-CE 3.42Å; L25-M103 HydrophobicContact CG-CE 4.33Å; L25-I104 HydrophobicContact CB-CD1 4.09Å; L25-I104 HydrophobicContact CB-CG1 3.66Å; L25-I104 HydrophobicContact CD1-CG1 4.19Å; L25-K107 HydrophobicContact CD1-CB 4.49Å; L25-K107 HydrophobicContact CD1-CG 4.5Å; L25-L222 HydrophobicContact CD2-CD1 3.95Å; L25-L222 HydrophobicContact CD2-CD2 3.89Å; L25-L222 HydrophobicContact CD2-CG 4.44Å |
| 26 | E | 97.5 | Very high | 97.4 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -33.4 | 173.9 | -76.1 | -68.2 | 177.6 | 0 | 0 | 112.6 | L22 L24 K30 I104 | L22-E26 WeakPolarHBondContact O-CG 3.12Å; L22-E26 PolarHBondContact O-N 2.89Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-E26 PolarHBondContact O-N 2.95Å; E26-K30 VanDerWaalsContact O-CG 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.46Å; E26-K30 PolarHBondContact O-N 3.26Å; E26-I104 HydrophobicContact CG-CD1 4.41Å |
| 27 | T | 97.5 | Very high | 97.4 | Very high | 88 Ų | 88 | 67.5 Ų | 67.5 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -46.1 | 175.2 | -57 | 0 | 0 | 0 | 0 | 111 | R23 L24 L25 K29 K30 F31 | R23-T27 PolarHBondContact O-N 3.36Å; R23-T27 PolarHBondContact O-OG1 3.44Å; L24-T27 WeakPolarHBondContact O-CA 3.34Å; L24-T27 WeakPolarHBondContact O-CB 3.4Å; L24-T27 PolarHBondContact O-N 3.29Å; L25-T27 VanDerWaalsContact C-N 3.28Å; L25-T27 PolarHBondContact O-N 3.2Å; T27-K29 VanDerWaalsContact C-N 3.29Å; T27-K29 PolarHBondContact O-N 3.35Å; T27-K30 PolarHBondContact O-N 3.35Å; T27-F31 PolarHBondContact O-N 3.43Å |
| 28 | V | 97.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | L24 L25 F31 M32 L100 L226 | L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 2.84Å; L25-V28 PolarHBondContact O-N 3.32Å; V28-F31 WeakPolarHBondContact O-CB 3.25Å; V28-F31 PolarHBondContact O-N 3.49Å; V28-M32 HydrophobicContact CG1-CE 4.05Å; V28-M32 PolarHBondContact O-N 3.16Å; V28-L100 HydrophobicContact CB-CD2 4.21Å; V28-L100 HydrophobicContact CG1-CD2 3.77Å; V28-L226 HydrophobicContact CG1-CD2 4.27Å |
| 29 | K | 97.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 23% | 0.226 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.6 | 179.6 | -176.9 | 170.7 | -173.2 | 0 | 111.9 | L25 T27 F31 M32 V33 L97 L100 T101 I104 | L25-K29 WeakPolarHBondContact O-CB 3.31Å; L25-K29 PolarHBondContact O-N 2.63Å; T27-K29 VanDerWaalsContact C-N 3.29Å; T27-K29 PolarHBondContact O-N 3.35Å; K29-F31 VanDerWaalsContact C-N 3.27Å; K29-F31 PolarHBondContact O-N 3.4Å; K29-M32 PolarHBondContact O-N 2.93Å; K29-V33 WeakPolarHBondContact O-CG2 3.37Å; K29-V33 PolarHBondContact O-N 3.46Å; K29-L97 HydrophobicContact CG-CD1 3.74Å; K29-L100 HydrophobicContact CB-CD2 3.76Å; K29-L100 HydrophobicContact CB-CG 4.25Å; K29-T101 WeakPolarHBondContact CE-OG1 3.31Å; K29-I104 HydrophobicContact CB-CD1 4.18Å; K29-I104 HydrophobicContact CD-CD1 3.79Å |
| 30 | K | 97 | Very high | 97.4 | Very high | 140 Ų | 140 | 71.8 Ų | 71.8 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.9 | -41.3 | 176.2 | -74.7 | 172.5 | -176.3 | 178.1 | 0 | 111.6 | E26 T27 V33 M34 | E26-K30 VanDerWaalsContact O-CG 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.46Å; E26-K30 PolarHBondContact O-N 3.26Å; T27-K30 PolarHBondContact O-N 3.35Å; K30-V33 PolarHBondContact O-N 2.93Å; K30-M34 WeakPolarHBondContact O-CG 3.28Å; K30-M34 PolarHBondContact O-N 3.24Å |
| 31 | F | 97.7 | Very high | 97.4 | Very high | 129 Ų | 129 | 69.8 Ų | 69.8 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 176 | -179.5 | -95.5 | 0 | 0 | 0 | 111.9 | T27 V28 K29 V33 M34 R35 Y229 | T27-F31 PolarHBondContact O-N 3.43Å; V28-F31 WeakPolarHBondContact O-CB 3.25Å; V28-F31 PolarHBondContact O-N 3.49Å; K29-F31 VanDerWaalsContact C-N 3.27Å; K29-F31 PolarHBondContact O-N 3.4Å; F31-V33 PolarHBondContact O-N 2.84Å; F31-M34 WeakPolarHBondContact O-CB 3.23Å; F31-M34 PolarHBondContact O-N 2.76Å; F31-R35 PolarHBondContact O-N 3.2Å; F31-Y229 AromaticContact CE1-CZ 3.92Å; F31-Y229 VanDerWaalsContact CE1-OH 3.29Å; F31-Y229 WeakPolarHBondContact CE1-OH 3.19Å |
| 32 | M | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.3 | -71.5 | -174.5 | 175.1 | 0 | 0 | 112.6 | V28 K29 M34 R35 V36 P96 L97 L100 I225 L226 Y229 | V28-M32 HydrophobicContact CG1-CE 4.05Å; V28-M32 PolarHBondContact O-N 3.16Å; K29-M32 PolarHBondContact O-N 2.93Å; M32-M34 VanDerWaalsContact C-N 3.31Å; M32-M34 PolarHBondContact O-N 3.22Å; M32-R35 WeakPolarHBondContact O-CB 3.37Å; M32-R35 PolarHBondContact O-N 2.92Å; M32-R35 VanDerWaalsContact O-N 3.11Å; M32-V36 WeakPolarHBondContact O-CG2 3.09Å; M32-V36 PolarHBondContact O-N 3.06Å; M32-P96 HydrophobicContact SD-CB 4.35Å; M32-L97 HydrophobicContact CB-CD1 4.04Å; M32-L100 HydrophobicContact SD-CD2 3.85Å; M32-I225 HydrophobicContact CE-CG2 3.98Å; M32-L226 HydrophobicContact CE-CD2 3.89Å; M32-Y229 HydrophobicContact CE-CD2 3.77Å; M32-Y229 HydrophobicContact CE-CG 3.82Å; M32-Y229 HydrophobicContact CG-CD2 3.93Å; M32-Y229 HydrophobicContact CG-CE2 4.1Å; M32-Y229 HydrophobicContact SD-CD2 4.3Å |
| 33 | V | 97.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 73 Ų | 73 | 42% | 0.418 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 174 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | K29 K30 F31 R35 V36 K37 L97 | K29-V33 WeakPolarHBondContact O-CG2 3.37Å; K29-V33 PolarHBondContact O-N 3.46Å; K30-V33 PolarHBondContact O-N 2.93Å; F31-V33 PolarHBondContact O-N 2.84Å; V33-R35 VanDerWaalsContact C-N 3.3Å; V33-R35 PolarHBondContact O-N 3.09Å; V33-V36 PolarHBondContact O-N 3.27Å; V33-K37 PolarHBondContact O-N 2.94Å; V33-L97 HydrophobicContact CG2-CD1 3.85Å; V33-L97 HydrophobicContact CG2-CD2 3.79Å; V33-L97 HydrophobicContact CG2-CG 4.47Å |
| 34 | M | 97.1 | Very high | 97.2 | Very high | 107 Ų | 107 | 68 Ų | 68 | 53% | 0.527 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.3 | -72.6 | -59.1 | -57.2 | 0 | 0 | 111.9 | K30 F31 M32 K37 S38 | K30-M34 WeakPolarHBondContact O-CG 3.28Å; K30-M34 PolarHBondContact O-N 3.24Å; F31-M34 WeakPolarHBondContact O-CB 3.23Å; F31-M34 PolarHBondContact O-N 2.76Å; M32-M34 VanDerWaalsContact C-N 3.31Å; M32-M34 PolarHBondContact O-N 3.22Å; M34-K37 PolarHBondContact O-N 3.25Å; M34-S38 WeakPolarHBondContact O-CB 3.31Å; M34-S38 PolarHBondContact O-N 3.36Å; M34-S38 PolarHBondContact O-OG 3.34Å |
| 35 | R | 97.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 69 Ų | 69 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.6 | -47.5 | 175.3 | -175.1 | 60.1 | -175 | -102.8 | 0.8 | 112.2 | F31 M32 V33 K37 S38 D39 L92 Y229 T233 | F31-R35 PolarHBondContact O-N 3.2Å; M32-R35 WeakPolarHBondContact O-CB 3.37Å; M32-R35 PolarHBondContact O-N 2.92Å; M32-R35 VanDerWaalsContact O-N 3.11Å; V33-R35 VanDerWaalsContact C-N 3.3Å; V33-R35 PolarHBondContact O-N 3.09Å; R35-K37 VanDerWaalsContact C-N 3.26Å; R35-K37 PolarHBondContact O-N 3.11Å; R35-S38 WeakPolarHBondContact O-CB 3.33Å; R35-S38 PolarHBondContact O-N 2.98Å; R35-D39 IonicContact CZ-OD1 2.74Å; R35-D39 IonicContact NE-OD1 3.44Å; R35-D39 PolarHBondContact NE-OD1 2.82Å; R35-D39 IonicContact NE-OD2 3.39Å; R35-D39 PolarHBondContact NE-OD2 2.88Å; R35-D39 IonicContact NH2-OD1 2.62Å; R35-D39 PolarHBondContact O-N 2.64Å; R35-L92 HydrophobicContact CB-CD2 4.03Å; R35-L92 HydrophobicContact CG-CD2 3.87Å; R35-Y229 HydrophobicContact CB-CE2 4.33Å; R35-Y229 HydrophobicContact CG-CE2 4.13Å; R35-T233 HydrophobicContact CG-CG2 3.98Å; R35-T233 PolarHBondContact NH2-O 3.16Å |
| 36 | V | 97.9 | Very high | 97 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -52.1 | -47.5 | 173.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | M32 V33 K40 A89 L92 N93 L97 | M32-V36 WeakPolarHBondContact O-CG2 3.09Å; M32-V36 PolarHBondContact O-N 3.06Å; V33-V36 PolarHBondContact O-N 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.41Å; V36-K40 PolarHBondContact O-N 3.12Å; V36-K40 VanDerWaalsContact O-N 3.08Å; V36-A89 HydrophobicContact CG1-CB 4.37Å; V36-L92 HydrophobicContact CG2-CB 3.98Å; V36-L92 HydrophobicContact CG2-CD2 3.54Å; V36-L92 HydrophobicContact CG2-CG 3.54Å; V36-N93 HydrophobicContact CG1-CB 4.03Å; V36-N93 HydrophobicContact CG2-CB 4.04Å; V36-L97 HydrophobicContact CG2-CD2 4.36Å |
| 37 | K | 96.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 178.1 | -178.8 | 177.1 | 172.1 | 179.2 | 0 | 111.7 | V33 M34 R35 K40 E41 | V33-K37 PolarHBondContact O-N 2.94Å; M34-K37 PolarHBondContact O-N 3.25Å; R35-K37 VanDerWaalsContact C-N 3.26Å; R35-K37 PolarHBondContact O-N 3.11Å; K37-K40 PolarHBondContact O-N 2.79Å; K37-E41 WeakPolarHBondContact CE-OE1 3.29Å; K37-E41 HydrophobicContact CG-CG 4.45Å; K37-E41 IonicContact NZ-OE1 2.61Å; K37-E41 WeakPolarHBondContact O-CB 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.31Å; K37-E41 PolarHBondContact O-N 2.91Å |
| 38 | S | 97.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 68.4 Ų | 68.4 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | M34 R35 K40 E41 Y42 | M34-S38 WeakPolarHBondContact O-CB 3.31Å; M34-S38 PolarHBondContact O-N 3.36Å; M34-S38 PolarHBondContact O-OG 3.34Å; R35-S38 WeakPolarHBondContact O-CB 3.33Å; R35-S38 PolarHBondContact O-N 2.98Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 3.31Å; S38-E41 PolarHBondContact O-N 3.22Å; S38-Y42 WeakPolarHBondContact O-CB 3.37Å; S38-Y42 PolarHBondContact O-N 2.8Å |
| 39 | D | 97.1 | Very high | 96 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -37.7 | -179.9 | -66.9 | -14.4 | 0 | 0 | 0 | 111 | R35 Y42 A43 M85 A89 | R35-D39 IonicContact CZ-OD1 2.74Å; R35-D39 IonicContact NE-OD1 3.44Å; R35-D39 PolarHBondContact NE-OD1 2.82Å; R35-D39 IonicContact NE-OD2 3.39Å; R35-D39 PolarHBondContact NE-OD2 2.88Å; R35-D39 IonicContact NH2-OD1 2.62Å; R35-D39 PolarHBondContact O-N 2.64Å; D39-Y42 PolarHBondContact O-N 3.09Å; D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 3.09Å; D39-M85 HydrophobicContact CB-CE 3.84Å; D39-A89 HydrophobicContact CB-CB 4Å |
| 40 | K | 96.8 | Very high | 95.6 | Very high | 139 Ų | 139 | 69.6 Ų | 69.6 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 174.3 | -173.7 | 175 | -178.8 | 173.9 | 0 | 113.2 | V36 K37 S38 S44 A89 | V36-K40 WeakPolarHBondContact O-CB 3.41Å; V36-K40 PolarHBondContact O-N 3.12Å; V36-K40 VanDerWaalsContact O-N 3.08Å; K37-K40 PolarHBondContact O-N 2.79Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 3.31Å; K40-S44 PolarHBondContact O-N 2.96Å; K40-A89 HydrophobicContact CB-CB 4.22Å |
| 41 | E | 96.6 | Very high | 94.9 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 175.9 | -76 | 176.8 | 175.5 | 0 | 0 | 111.3 | K37 S38 S44 T45 | K37-E41 WeakPolarHBondContact CE-OE1 3.29Å; K37-E41 HydrophobicContact CG-CG 4.45Å; K37-E41 IonicContact NZ-OE1 2.61Å; K37-E41 WeakPolarHBondContact O-CB 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.31Å; K37-E41 PolarHBondContact O-N 2.91Å; S38-E41 PolarHBondContact O-N 3.22Å; E41-S44 PolarHBondContact O-N 2.98Å; E41-T45 WeakPolarHBondContact O-CB 3.47Å; E41-T45 PolarHBondContact O-N 3.32Å; E41-T45 PolarHBondContact O-OG1 3.4Å |
| 42 | Y | 97.4 | Very high | 94 | Very high | 112 Ų | 112 | 69 Ų | 69 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 175.6 | -173.7 | -122.3 | 0 | 0 | 0 | 111.5 | S38 D39 S44 T45 L46 M85 | S38-Y42 WeakPolarHBondContact O-CB 3.37Å; S38-Y42 PolarHBondContact O-N 2.8Å; D39-Y42 PolarHBondContact O-N 3.09Å; Y42-S44 VanDerWaalsContact C-N 3.33Å; Y42-S44 PolarHBondContact O-N 2.88Å; Y42-T45 WeakPolarHBondContact O-CB 3.37Å; Y42-T45 PolarHBondContact O-N 3.1Å; Y42-T45 VanDerWaalsContact O-N 3.09Å; Y42-L46 HydrophobicContact CD1-CD1 4.05Å; Y42-L46 HydrophobicContact CE1-CD1 3.68Å; Y42-L46 HydrophobicContact CE1-CG 4.37Å; Y42-L46 HydrophobicContact CE2-CD1 4.47Å; Y42-L46 HydrophobicContact CE2-CD2 4.33Å; Y42-L46 HydrophobicContact CE2-CG 4.3Å; Y42-L46 WeakPolarHBondContact O-CG 3.37Å; Y42-L46 PolarHBondContact O-N 2.94Å; Y42-M85 HydrophobicContact CD1-CB 4.48Å; Y42-M85 HydrophobicContact CD1-CE 3.99Å; Y42-M85 HydrophobicContact CD1-CG 3.85Å; Y42-M85 HydrophobicContact CD1-SD 4.3Å; Y42-M85 HydrophobicContact CE1-CG 4.13Å; Y42-M85 HydrophobicContact CE1-SD 4.49Å |
| 43 | A | 97.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D39 T45 L46 Q47 S82 M85 K86 | D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 3.09Å; A43-T45 VanDerWaalsContact C-N 3.27Å; A43-T45 PolarHBondContact O-N 3.01Å; A43-L46 PolarHBondContact O-N 3.15Å; A43-Q47 PolarHBondContact O-N 3.14Å; A43-S82 VanDerWaalsContact CB-O 3.31Å; A43-S82 WeakPolarHBondContact CB-O 3.47Å; A43-S82 PolarHBondContact O-OG 3.04Å; A43-M85 HydrophobicContact CB-CB 3.95Å; A43-K86 HydrophobicContact CB-CB 4.01Å |
| 44 | S | 94.4 | Very high | 91.1 | Very high | 61 Ų | 61 | 72.5 Ų | 72.5 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 177.3 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | K40 E41 Y42 Q47 N48 | K40-S44 PolarHBondContact O-N 2.96Å; E41-S44 PolarHBondContact O-N 2.98Å; Y42-S44 VanDerWaalsContact C-N 3.33Å; Y42-S44 PolarHBondContact O-N 2.88Å; S44-Q47 PolarHBondContact O-N 2.88Å; S44-N48 WeakPolarHBondContact O-CB 3.33Å; S44-N48 PolarHBondContact O-N 3.45Å; S44-N48 PolarHBondContact O-ND2 2.94Å |
| 45 | T | 95.4 | Very high | 89.2 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.9 | -43.7 | 179.1 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | E41 Y42 A43 N48 L49 | E41-T45 WeakPolarHBondContact O-CB 3.47Å; E41-T45 PolarHBondContact O-N 3.32Å; E41-T45 PolarHBondContact O-OG1 3.4Å; Y42-T45 WeakPolarHBondContact O-CB 3.37Å; Y42-T45 PolarHBondContact O-N 3.1Å; Y42-T45 VanDerWaalsContact O-N 3.09Å; A43-T45 VanDerWaalsContact C-N 3.27Å; A43-T45 PolarHBondContact O-N 3.01Å; T45-N48 PolarHBondContact O-N 3.32Å; T45-L49 PolarHBondContact O-N 2.86Å |
| 46 | L | 94.5 | Very high | 86.8 | Confident | 18 Ų | 18 | 78 Ų | 78 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 173.6 | -67.9 | 176.3 | 0 | 0 | 0 | 111.5 | Y42 A43 N48 L49 C50 T78 L81 | Y42-L46 HydrophobicContact CD1-CD1 4.05Å; Y42-L46 HydrophobicContact CE1-CD1 3.68Å; Y42-L46 HydrophobicContact CE1-CG 4.37Å; Y42-L46 HydrophobicContact CE2-CD1 4.47Å; Y42-L46 HydrophobicContact CE2-CD2 4.33Å; Y42-L46 HydrophobicContact CE2-CG 4.3Å; Y42-L46 WeakPolarHBondContact O-CG 3.37Å; Y42-L46 PolarHBondContact O-N 2.94Å; A43-L46 PolarHBondContact O-N 3.15Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.95Å; L46-L49 WeakPolarHBondContact O-CB 3.48Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-C50 PolarHBondContact O-N 3.44Å; L46-C50 VanDerWaalsContact O-N 3.12Å; L46-C50 PolarHBondContact O-SG 3.41Å; L46-C50 VanDerWaalsContact O-SG 3.38Å; L46-T78 HydrophobicContact CD2-CG2 4.09Å; L46-L81 HydrophobicContact CD1-CB 4.35Å; L46-L81 HydrophobicContact CD1-CD2 4.01Å; L46-L81 HydrophobicContact CD1-CG 3.89Å |
| 47 | Q | 93 | Very high | 84.5 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.8 | -170.1 | 63.9 | 53 | 0 | 0 | 112.2 | A43 S44 L49 C50 N51 S82 | A43-Q47 PolarHBondContact O-N 3.14Å; S44-Q47 PolarHBondContact O-N 2.88Å; Q47-L49 VanDerWaalsContact C-N 3.31Å; Q47-L49 PolarHBondContact O-N 2.92Å; Q47-C50 PolarHBondContact O-N 3.03Å; Q47-N51 PolarHBondContact NE2-OD1 3.2Å; Q47-N51 VanDerWaalsContact NE2-OD1 3.09Å; Q47-N51 WeakPolarHBondContact O-CB 3.33Å; Q47-N51 PolarHBondContact O-N 2.93Å; Q47-N51 PolarHBondContact O-ND2 2.78Å; Q47-N51 PolarHBondContact O-OD1 2.81Å; Q47-S82 PolarHBondContact OE1-OG 3.33Å |
| 48 | N | 90.6 | Very high | 82.3 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 178.2 | -71.9 | -18.7 | 0 | 0 | 0 | 111.7 | S44 T45 L46 N51 Q52 | S44-N48 WeakPolarHBondContact O-CB 3.33Å; S44-N48 PolarHBondContact O-N 3.45Å; S44-N48 PolarHBondContact O-ND2 2.94Å; T45-N48 PolarHBondContact O-N 3.32Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.95Å; N48-N51 PolarHBondContact O-N 2.89Å; N48-Q52 WeakPolarHBondContact O-CG 3.18Å; N48-Q52 PolarHBondContact O-N 3.1Å |
| 49 | L | 89.3 | Confident | 79.9 | Confident | 101 Ų | 101 | 80.8 Ų | 80.8 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 173.1 | -176.6 | 74.2 | 0 | 0 | 0 | 110.9 | T45 L46 Q47 N51 Q52 T78 | T45-L49 PolarHBondContact O-N 2.86Å; L46-L49 WeakPolarHBondContact O-CB 3.48Å; L46-L49 PolarHBondContact O-N 3.4Å; Q47-L49 VanDerWaalsContact C-N 3.31Å; Q47-L49 PolarHBondContact O-N 2.92Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 PolarHBondContact O-N 3.3Å; L49-Q52 PolarHBondContact O-N 3.38Å; L49-T78 HydrophobicContact CD2-CG2 4.31Å |
| 50 | C | 88.3 | Confident | 77.6 | Confident | 6 Ų | 6 | 88.3 Ų | 88.3 | 4% | 0.041 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | L46 Q47 Q52 V53 V75 E79 | L46-C50 PolarHBondContact O-N 3.44Å; L46-C50 VanDerWaalsContact O-N 3.12Å; L46-C50 PolarHBondContact O-SG 3.41Å; L46-C50 VanDerWaalsContact O-SG 3.38Å; Q47-C50 PolarHBondContact O-N 3.03Å; C50-Q52 VanDerWaalsContact C-N 3.33Å; C50-V53 PolarHBondContact O-N 2.73Å; C50-V75 HydrophobicContact CB-CG1 4.11Å; C50-V75 PolarHBondContact SG-O 2.66Å; C50-E79 HydrophobicContact CB-CB 4.42Å |
| 51 | N | 83.3 | Confident | 75.6 | Confident | 101 Ų | 101 | 86 Ų | 86 | 54% | 0.54 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -75.4 | -19.4 | -179.8 | -68.4 | -10.6 | 0 | 0 | 0 | 113.8 | Q47 N48 L49 | Q47-N51 PolarHBondContact NE2-OD1 3.2Å; Q47-N51 VanDerWaalsContact NE2-OD1 3.09Å; Q47-N51 WeakPolarHBondContact O-CB 3.33Å; Q47-N51 PolarHBondContact O-N 2.93Å; Q47-N51 PolarHBondContact O-ND2 2.78Å; Q47-N51 PolarHBondContact O-OD1 2.81Å; N48-N51 PolarHBondContact O-N 2.89Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 PolarHBondContact O-N 3.3Å |
| 52 | Q | 77.9 | Confident | 73.8 | Confident | 155 Ų | 155 | 88.3 Ų | 88.3 | 72% | 0.724 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.5 | 174.7 | -72.9 | 173.9 | 13.6 | 0 | 0 | 112.8 | N48 L49 C50 D54 | N48-Q52 WeakPolarHBondContact O-CG 3.18Å; N48-Q52 PolarHBondContact O-N 3.1Å; L49-Q52 PolarHBondContact O-N 3.38Å; C50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-D54 PolarHBondContact O-N 3.28Å |
| 53 | V | 75.9 | Confident | 72.4 | Confident | 36 Ų | 36 | 85.8 Ų | 85.8 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -77.7 | 113 | 176.7 | -177 | 0 | 0 | 0 | 0 | 108.3 | C50 K55 W71 V75 | C50-V53 PolarHBondContact O-N 2.73Å; V53-K55 PolarHBondContact O-N 2.91Å; V53-W71 HydrophobicContact CG2-CZ2 4.46Å; V53-V75 HydrophobicContact CB-CG1 4.47Å; V53-V75 HydrophobicContact CG2-CG1 4.08Å; V53-V75 HydrophobicContact CG2-CG2 3.95Å |
| 54 | D | 60.2 | Low | 71.1 | Confident | 109 Ų | 109 | 90.7 Ų | 90.7 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | trans | -69.4 | 88.8 | -177.9 | -138.3 | -7.2 | 0 | 0 | 0 | 109.6 | Q52 E56 S57 | Q52-D54 PolarHBondContact O-N 3.28Å; D54-E56 PolarHBondContact O-N 2.91Å; D54-S57 PolarHBondContact O-N 3.42Å; D54-S57 PolarHBondContact O-OG 3.02Å | ||
| 55 | K | 55.8 | Low | 70.5 | Confident | 133 Ų | 133 | 88.4 Ų | 88.4 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22 | -176.2 | -67.4 | -176 | 179.8 | -179.3 | 0 | 112.6 | V53 T58 | V53-K55 PolarHBondContact O-N 2.91Å; K55-T58 PolarHBondContact O-OG1 2.85Å |
| 56 | E | 48.3 | Very low | 70 | Confident | 147 Ų | 147 | 86.1 Ų | 86.1 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -28.6 | 178.2 | -67.1 | -175 | 170.1 | 0 | 0 | 113.5 | D54 T58 C59 | D54-E56 PolarHBondContact O-N 2.91Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.44Å; E56-C59 PolarHBondContact O-N 3.34Å; E56-C59 VanDerWaalsContact O-N 3.15Å |
| 57 | S | 49.6 | Very low | 69.8 | Low | 69 Ų | 69 | 88.3 Ų | 88.3 | 48% | 0.483 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -71.3 | -24.5 | -177.4 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | D54 | D54-S57 PolarHBondContact O-N 3.42Å; D54-S57 PolarHBondContact O-OG 3.02Å |
| 58 | T | 50.1 | Low | 69.4 | Low | 61 Ų | 61 | 87.9 Ų | 87.9 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -79.4 | -12.1 | 171.8 | 20.8 | 0 | 0 | 0 | 0 | 114.5 | K55 E56 | K55-T58 PolarHBondContact O-OG1 2.85Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.44Å |
| 59 | C | 46.4 | Very low | 69.2 | Low | 111 Ų | 111 | 88.2 Ų | 88.2 | 75% | 0.75 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -100.5 | -2.2 | -177.7 | -75.9 | 0 | 0 | 0 | 0 | 114.3 | E56 | E56-C59 PolarHBondContact O-N 3.34Å; E56-C59 VanDerWaalsContact O-N 3.15Å |
| 60 | Q | 48.1 | Very low | 69.3 | Low | 166 Ų | 166 | 83.7 Ų | 83.7 | 78% | 0.776 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -100.5 | 4 | -177.7 | -75.5 | -172.9 | -10 | 0 | 0 | 114.6 | ||
| 61 | L | 54.5 | Low | 69.4 | Low | 92 Ų | 92 | 90 Ų | 90 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -100.3 | 129.7 | 176.5 | -71.9 | 156.6 | 0 | 0 | 0 | 109.1 | Y63 | L61-Y63 HydrophobicContact CB-CD1 4.35Å; L61-Y63 HydrophobicContact CB-CE1 4.43Å; L61-Y63 WeakPolarHBondContact CB-O 3.25Å; L61-Y63 HydrophobicContact CD2-CD1 4.45Å; L61-Y63 HydrophobicContact CD2-CE1 3.81Å; L61-Y63 PolarHBondContact O-N 2.67Å |
| 62 | D | 59.5 | Low | 69.7 | Low | 148 Ų | 148 | 88.1 Ų | 88.1 | 79% | 0.791 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -66.2 | 6 | 173.7 | -71.3 | -33.4 | 0 | 0 | 0 | 113.1 | ||
| 63 | Y | 67.6 | Low | 70.3 | Confident | 59 Ų | 59 | 83 Ų | 83 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -146.5 | 153.5 | 175.5 | 76.4 | -79.6 | 0 | 0 | 0 | 111.3 | L61 F263 | L61-Y63 HydrophobicContact CB-CD1 4.35Å; L61-Y63 HydrophobicContact CB-CE1 4.43Å; L61-Y63 WeakPolarHBondContact CB-O 3.25Å; L61-Y63 HydrophobicContact CD2-CD1 4.45Å; L61-Y63 HydrophobicContact CD2-CE1 3.81Å; L61-Y63 PolarHBondContact O-N 2.67Å; Y63-F263 AromaticContact CD1-CD2 3.63Å; Y63-F263 HydrophobicContact CD1-CD2 3.63Å; Y63-F263 HydrophobicContact CD1-CE2 4.3Å; Y63-F263 HydrophobicContact CD2-CB 3.97Å; Y63-F263 HydrophobicContact CD2-CD2 4.26Å; Y63-F263 AromaticContact CE1-CD2 3.41Å; Y63-F263 HydrophobicContact CE1-CD2 3.41Å; Y63-F263 VanDerWaalsContact CE1-CD2 3.41Å; Y63-F263 AromaticContact CE1-CE2 3.89Å; Y63-F263 HydrophobicContact CE1-CE2 3.89Å; Y63-F263 HydrophobicContact CE1-CG 4.49Å; Y63-F263 HydrophobicContact CE2-CB 4.06Å; Y63-F263 HydrophobicContact CE2-CD2 4.09Å; Y63-F263 HydrophobicContact CE2-CG 4.47Å; Y63-F263 HydrophobicContact CG-CB 4.3Å; Y63-F263 HydrophobicContact CG-CD2 4.04Å; Y63-F263 AromaticContact CZ-CD2 3.66Å |
| 64 | I | 70.3 | Confident | 71.1 | Confident | 108 Ų | 108 | 83.7 Ų | 83.7 | 55% | 0.554 | 43% | 0.431 | S | S | * | . | trans | -112.9 | 102.2 | -176.1 | -48.2 | 177.2 | 0 | 0 | 0 | 110.7 | K69 | I64-K69 HydrophobicContact CG2-CD 4.09Å; I64-K69 HydrophobicContact CG2-CG 3.66Å; I64-K69 WeakPolarHBondContact O-CE 3.26Å; I64-K69 PolarHBondContact O-NZ 2.91Å | ||
| 65 | S | 82.5 | Confident | 72.6 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | trans | -58.4 | 140.9 | 174.4 | 142.6 | 0 | 0 | 0 | 0 | 112.8 | V67 S68 K69 E259 | S65-V67 PolarHBondContact OG-N 3.49Å; S65-S68 WeakPolarHBondContact CB-OG 3.43Å; S65-S68 WeakPolarHBondContact O-CB 3.27Å; S65-S68 PolarHBondContact O-N 2.95Å; S65-S68 PolarHBondContact OG-N 2.97Å; S65-S68 PolarHBondContact OG-OG 3.25Å; S65-K69 WeakPolarHBondContact O-CG 3.46Å; S65-K69 PolarHBondContact O-N 3.39Å; S65-K69 VanDerWaalsContact O-N 3.08Å; S65-E259 WeakPolarHBondContact CB-OE1 3.48Å; S65-E259 PolarHBondContact OG-OE1 3.35Å | ||
| 66 | N | 85 | Confident | 74.4 | Confident | 42 Ų | 42 | 77.5 Ų | 77.5 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 178.6 | -69.1 | -33.7 | 0 | 0 | 0 | 111.2 | S68 K69 S70 E259 | N66-S68 VanDerWaalsContact C-N 3.25Å; N66-S68 PolarHBondContact O-N 3.35Å; N66-K69 PolarHBondContact O-N 2.98Å; N66-K69 PolarHBondContact OD1-NZ 3.21Å; N66-S70 PolarHBondContact O-N 3.14Å; N66-S70 PolarHBondContact O-OG 3.43Å; N66-E259 WeakPolarHBondContact CB-OE2 3.37Å; N66-E259 PolarHBondContact N-OE2 3.05Å; N66-E259 VanDerWaalsContact N-OE2 3.14Å |
| 67 | V | 89.1 | Confident | 76.7 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 39% | 0.394 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 168.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | S65 S70 W71 I254 E259 | S65-V67 PolarHBondContact OG-N 3.49Å; V67-S70 PolarHBondContact O-N 3Å; V67-W71 WeakPolarHBondContact O-CB 3.41Å; V67-W71 PolarHBondContact O-N 3.23Å; V67-I254 HydrophobicContact CG2-CG2 3.79Å; V67-E259 PolarHBondContact N-OE2 2.95Å; V67-E259 VanDerWaalsContact N-OE2 3.1Å |
| 68 | S | 85.7 | Confident | 78.9 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 178.9 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | S65 N66 W71 L72 | S65-S68 WeakPolarHBondContact CB-OG 3.43Å; S65-S68 WeakPolarHBondContact O-CB 3.27Å; S65-S68 PolarHBondContact O-N 2.95Å; S65-S68 PolarHBondContact OG-N 2.97Å; S65-S68 PolarHBondContact OG-OG 3.25Å; N66-S68 VanDerWaalsContact C-N 3.25Å; N66-S68 PolarHBondContact O-N 3.35Å; S68-W71 PolarHBondContact O-N 2.91Å; S68-L72 PolarHBondContact O-N 3.44Å |
| 69 | K | 86.6 | Confident | 81 | Confident | 92 Ų | 92 | 69 Ų | 69 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 174.5 | -66.1 | 169.5 | -163.8 | 157.3 | 0 | 111.1 | I64 S65 N66 W71 L72 L73 D262 | I64-K69 HydrophobicContact CG2-CD 4.09Å; I64-K69 HydrophobicContact CG2-CG 3.66Å; I64-K69 WeakPolarHBondContact O-CE 3.26Å; I64-K69 PolarHBondContact O-NZ 2.91Å; S65-K69 WeakPolarHBondContact O-CG 3.46Å; S65-K69 PolarHBondContact O-N 3.39Å; S65-K69 VanDerWaalsContact O-N 3.08Å; N66-K69 PolarHBondContact O-N 2.98Å; N66-K69 PolarHBondContact OD1-NZ 3.21Å; K69-W71 PolarHBondContact O-N 3.09Å; K69-L72 PolarHBondContact O-N 2.98Å; K69-L73 PolarHBondContact O-N 2.97Å; K69-L73 VanDerWaalsContact O-N 3.09Å; K69-D262 IonicContact NZ-OD2 2.59Å |
| 70 | S | 91.1 | Very high | 83.4 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.7 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | N66 V67 L72 L73 M74 S250 I254 | N66-S70 PolarHBondContact O-N 3.14Å; N66-S70 PolarHBondContact O-OG 3.43Å; V67-S70 PolarHBondContact O-N 3Å; S70-L72 PolarHBondContact O-N 3.3Å; S70-L73 PolarHBondContact O-N 2.76Å; S70-M74 WeakPolarHBondContact O-CG 3.32Å; S70-M74 PolarHBondContact O-N 2.77Å; S70-S250 VanDerWaalsContact CB-O 3.23Å; S70-S250 WeakPolarHBondContact CB-O 3.47Å; S70-S250 PolarHBondContact OG-O 3.36Å; S70-I254 WeakPolarHBondContact OG-CG1 3.37Å |
| 71 | W | 89.9 | Confident | 85.8 | Confident | 137 Ų | 137 | 60.8 Ų | 60.8 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 175.9 | 174 | -114.6 | 0 | 0 | 0 | 112.4 | V53 V67 S68 K69 L73 M74 V75 | V53-W71 HydrophobicContact CG2-CZ2 4.46Å; V67-W71 WeakPolarHBondContact O-CB 3.41Å; V67-W71 PolarHBondContact O-N 3.23Å; S68-W71 PolarHBondContact O-N 2.91Å; K69-W71 PolarHBondContact O-N 3.09Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 PolarHBondContact O-N 3.47Å; W71-M74 HydrophobicContact CE3-SD 4.4Å; W71-M74 WeakPolarHBondContact O-CB 3.49Å; W71-M74 PolarHBondContact O-N 3.33Å; W71-V75 HydrophobicContact CD2-CG2 4.2Å; W71-V75 HydrophobicContact CH2-CG2 4.44Å; W71-V75 HydrophobicContact CZ2-CG2 3.91Å; W71-V75 WeakPolarHBondContact O-CG2 3.42Å; W71-V75 PolarHBondContact O-N 3.4Å |
| 72 | L | 88.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 178.2 | -175.2 | 63.8 | 0 | 0 | 0 | 111.7 | S68 K69 S70 V75 Q76 | S68-L72 PolarHBondContact O-N 3.44Å; K69-L72 PolarHBondContact O-N 2.98Å; S70-L72 PolarHBondContact O-N 3.3Å; L72-V75 PolarHBondContact O-N 3.32Å; L72-Q76 WeakPolarHBondContact O-CG 3.38Å; L72-Q76 PolarHBondContact O-N 2.85Å |
| 73 | L | 91.2 | Very high | 89.6 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.3 | -176.7 | 57.2 | 0 | 0 | 0 | 111.4 | K69 S70 W71 V75 Q76 Q77 | K69-L73 PolarHBondContact O-N 2.97Å; K69-L73 VanDerWaalsContact O-N 3.09Å; S70-L73 PolarHBondContact O-N 2.76Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 PolarHBondContact O-N 3.47Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-V75 PolarHBondContact O-N 3.39Å; L73-Q76 PolarHBondContact O-N 3Å; L73-Q77 HydrophobicContact CD1-CG 4.26Å; L73-Q77 WeakPolarHBondContact O-CB 3.2Å; L73-Q77 WeakPolarHBondContact O-CG 3.47Å; L73-Q77 PolarHBondContact O-N 3.15Å |
| 74 | M | 93.2 | Very high | 91 | Very high | 50 Ų | 50 | 53 Ų | 53 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.7 | -67.6 | 178 | 64.2 | 0 | 0 | 112.2 | S70 W71 Q77 T78 I247 S250 V251 | S70-M74 WeakPolarHBondContact O-CG 3.32Å; S70-M74 PolarHBondContact O-N 2.77Å; W71-M74 HydrophobicContact CE3-SD 4.4Å; W71-M74 WeakPolarHBondContact O-CB 3.49Å; W71-M74 PolarHBondContact O-N 3.33Å; M74-Q77 PolarHBondContact O-N 3.47Å; M74-T78 WeakPolarHBondContact O-CB 3.41Å; M74-T78 PolarHBondContact O-N 2.98Å; M74-T78 PolarHBondContact O-OG1 3.47Å; M74-I247 HydrophobicContact CE-CG2 4.06Å; M74-I247 HydrophobicContact CG-CG2 4.2Å; M74-S250 VanDerWaalsContact CG-OG 3.26Å; M74-S250 WeakPolarHBondContact CG-OG 3.41Å; M74-V251 HydrophobicContact CE-CG2 4.24Å; M74-V251 HydrophobicContact CG-CG2 4.48Å; M74-V251 HydrophobicContact SD-CG2 3.63Å |
| 75 | V | 92.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | C50 V53 W71 L72 L73 T78 E79 | C50-V75 HydrophobicContact CB-CG1 4.11Å; C50-V75 PolarHBondContact SG-O 2.66Å; V53-V75 HydrophobicContact CB-CG1 4.47Å; V53-V75 HydrophobicContact CG2-CG1 4.08Å; V53-V75 HydrophobicContact CG2-CG2 3.95Å; W71-V75 HydrophobicContact CD2-CG2 4.2Å; W71-V75 HydrophobicContact CH2-CG2 4.44Å; W71-V75 HydrophobicContact CZ2-CG2 3.91Å; W71-V75 WeakPolarHBondContact O-CG2 3.42Å; W71-V75 PolarHBondContact O-N 3.4Å; L72-V75 PolarHBondContact O-N 3.32Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-V75 PolarHBondContact O-N 3.39Å; V75-T78 PolarHBondContact O-N 2.84Å; V75-E79 PolarHBondContact O-N 2.75Å |
| 76 | Q | 93 | Very high | 93 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.5 | -73.6 | 174.5 | -5.2 | 0 | 0 | 112.2 | L72 L73 T78 E79 Q80 | L72-Q76 WeakPolarHBondContact O-CG 3.38Å; L72-Q76 PolarHBondContact O-N 2.85Å; L73-Q76 PolarHBondContact O-N 3Å; Q76-T78 VanDerWaalsContact C-N 3.33Å; Q76-T78 PolarHBondContact O-N 2.96Å; Q76-E79 WeakPolarHBondContact O-CB 3.48Å; Q76-E79 PolarHBondContact O-N 2.85Å; Q76-Q80 PolarHBondContact O-N 2.76Å |
| 77 | Q | 96.3 | Very high | 93.6 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 177 | -69.5 | -55.8 | -39.4 | 0 | 0 | 111.7 | L73 M74 E79 Q80 L81 V243 E246 I247 | L73-Q77 HydrophobicContact CD1-CG 4.26Å; L73-Q77 WeakPolarHBondContact O-CB 3.2Å; L73-Q77 WeakPolarHBondContact O-CG 3.47Å; L73-Q77 PolarHBondContact O-N 3.15Å; M74-Q77 PolarHBondContact O-N 3.47Å; Q77-E79 VanDerWaalsContact C-N 3.33Å; Q77-E79 PolarHBondContact O-N 3.36Å; Q77-Q80 WeakPolarHBondContact O-CB 3.24Å; Q77-Q80 PolarHBondContact O-N 2.89Å; Q77-L81 PolarHBondContact O-N 2.91Å; Q77-V243 HydrophobicContact CB-CG1 4.13Å; Q77-V243 VanDerWaalsContact O-CG1 3.23Å; Q77-V243 WeakPolarHBondContact O-CG1 3.47Å; Q77-E246 HydrophobicContact CG-CB 3.8Å; Q77-I247 HydrophobicContact CB-CD1 4.01Å; Q77-I247 HydrophobicContact CB-CG1 3.54Å; Q77-I247 HydrophobicContact CG-CG1 4.26Å |
| 78 | T | 95.4 | Very high | 94 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | 172.8 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | L46 L49 M74 V75 Q76 L81 S82 | L46-T78 HydrophobicContact CD2-CG2 4.09Å; L49-T78 HydrophobicContact CD2-CG2 4.31Å; M74-T78 WeakPolarHBondContact O-CB 3.41Å; M74-T78 PolarHBondContact O-N 2.98Å; M74-T78 PolarHBondContact O-OG1 3.47Å; V75-T78 PolarHBondContact O-N 2.84Å; Q76-T78 VanDerWaalsContact C-N 3.33Å; Q76-T78 PolarHBondContact O-N 2.96Å; T78-L81 WeakPolarHBondContact O-CB 3.21Å; T78-L81 PolarHBondContact O-N 3.46Å; T78-S82 PolarHBondContact O-N 3.37Å; T78-S82 VanDerWaalsContact O-N 3.07Å |
| 79 | E | 95 | Very high | 94.5 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 171.9 | -173.5 | -174.1 | 156.4 | 0 | 0 | 111.6 | C50 V75 Q76 Q77 S82 K83 | C50-E79 HydrophobicContact CB-CB 4.42Å; V75-E79 PolarHBondContact O-N 2.75Å; Q76-E79 WeakPolarHBondContact O-CB 3.48Å; Q76-E79 PolarHBondContact O-N 2.85Å; Q77-E79 VanDerWaalsContact C-N 3.33Å; Q77-E79 PolarHBondContact O-N 3.36Å; E79-S82 VanDerWaalsContact O-CB 3.3Å; E79-S82 WeakPolarHBondContact O-CB 3.34Å; E79-S82 PolarHBondContact O-N 2.78Å; E79-K83 PolarHBondContact O-N 2.91Å; E79-K83 VanDerWaalsContact O-N 3.15Å; E79-K83 WeakPolarHBondContact OE1-CE 3.45Å; E79-K83 IonicContact OE1-NZ 3.6Å; E79-K83 PolarHBondContact OE1-NZ 2.85Å |
| 80 | Q | 96.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 43% | 0.425 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 173.1 | -176.1 | 173 | -13.1 | 0 | 0 | 111.7 | Q76 Q77 S82 K83 I84 V243 | Q76-Q80 PolarHBondContact O-N 2.76Å; Q77-Q80 WeakPolarHBondContact O-CB 3.24Å; Q77-Q80 PolarHBondContact O-N 2.89Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; Q80-S82 PolarHBondContact O-N 2.95Å; Q80-K83 WeakPolarHBondContact O-CB 3.41Å; Q80-K83 PolarHBondContact O-N 3Å; Q80-K83 VanDerWaalsContact O-N 3.15Å; Q80-I84 HydrophobicContact CG-CD1 4.28Å; Q80-I84 WeakPolarHBondContact O-CG1 3.21Å; Q80-I84 PolarHBondContact O-N 2.81Å; Q80-V243 HydrophobicContact CB-CG2 4.35Å; Q80-V243 HydrophobicContact CG-CG2 3.96Å |
| 81 | L | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 173.8 | -174.7 | 58.7 | 0 | 0 | 0 | 112.1 | L46 Q77 T78 K83 I84 M85 I240 V243 | L46-L81 HydrophobicContact CD1-CB 4.35Å; L46-L81 HydrophobicContact CD1-CD2 4.01Å; L46-L81 HydrophobicContact CD1-CG 3.89Å; Q77-L81 PolarHBondContact O-N 2.91Å; T78-L81 WeakPolarHBondContact O-CB 3.21Å; T78-L81 PolarHBondContact O-N 3.46Å; L81-K83 VanDerWaalsContact C-N 3.3Å; L81-K83 PolarHBondContact O-N 3.16Å; L81-I84 PolarHBondContact O-N 3.13Å; L81-M85 HydrophobicContact CD1-CG 4.4Å; L81-M85 HydrophobicContact CG-CG 4.49Å; L81-M85 WeakPolarHBondContact O-CG 3.03Å; L81-M85 PolarHBondContact O-N 3.45Å; L81-I240 HydrophobicContact CD1-CB 4.46Å; L81-I240 HydrophobicContact CD1-CD1 4.48Å; L81-I240 HydrophobicContact CD1-CG1 3.99Å; L81-I240 HydrophobicContact CD1-CG2 3.94Å; L81-V243 HydrophobicContact CB-CG1 4.12Å |
| 82 | S | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.3 | -46.6 | 174.1 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | A43 Q47 T78 E79 Q80 M85 K86 | A43-S82 VanDerWaalsContact CB-O 3.31Å; A43-S82 WeakPolarHBondContact CB-O 3.47Å; A43-S82 PolarHBondContact O-OG 3.04Å; Q47-S82 PolarHBondContact OE1-OG 3.33Å; T78-S82 PolarHBondContact O-N 3.37Å; T78-S82 VanDerWaalsContact O-N 3.07Å; E79-S82 VanDerWaalsContact O-CB 3.3Å; E79-S82 WeakPolarHBondContact O-CB 3.34Å; E79-S82 PolarHBondContact O-N 2.78Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; Q80-S82 PolarHBondContact O-N 2.95Å; S82-M85 PolarHBondContact O-N 3.5Å; S82-K86 PolarHBondContact O-N 3.28Å |
| 83 | K | 97.1 | Very high | 96.1 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63 | -45.5 | 178.5 | -68.2 | 169.8 | -174.7 | 164.4 | 0 | 111.8 | E79 Q80 L81 M85 K86 T87 | E79-K83 PolarHBondContact O-N 2.91Å; E79-K83 VanDerWaalsContact O-N 3.15Å; E79-K83 WeakPolarHBondContact OE1-CE 3.45Å; E79-K83 IonicContact OE1-NZ 3.6Å; E79-K83 PolarHBondContact OE1-NZ 2.85Å; Q80-K83 WeakPolarHBondContact O-CB 3.41Å; Q80-K83 PolarHBondContact O-N 3Å; Q80-K83 VanDerWaalsContact O-N 3.15Å; L81-K83 VanDerWaalsContact C-N 3.3Å; L81-K83 PolarHBondContact O-N 3.16Å; K83-M85 PolarHBondContact O-N 2.93Å; K83-K86 WeakPolarHBondContact O-CB 3.46Å; K83-K86 PolarHBondContact O-N 2.86Å; K83-T87 PolarHBondContact O-N 2.83Å; K83-T87 PolarHBondContact O-OG1 3.49Å; K83-T87 VanDerWaalsContact O-OG1 3.13Å |
| 84 | I | 97.4 | Very high | 96.4 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 177.3 | -65.4 | 165.3 | 0 | 0 | 0 | 110.7 | Q80 L81 K86 T87 H88 E239 I240 V243 | Q80-I84 HydrophobicContact CG-CD1 4.28Å; Q80-I84 WeakPolarHBondContact O-CG1 3.21Å; Q80-I84 PolarHBondContact O-N 2.81Å; L81-I84 PolarHBondContact O-N 3.13Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 3.07Å; I84-T87 WeakPolarHBondContact O-CB 3.39Å; I84-T87 PolarHBondContact O-N 2.81Å; I84-T87 VanDerWaalsContact O-N 3.1Å; I84-H88 PolarHBondContact O-CD2 2.92Å; I84-H88 PolarHBondContact O-N 3.47Å; I84-E239 HydrophobicContact CD1-CB 4.04Å; I84-I240 HydrophobicContact CG2-CD1 4.22Å; I84-I240 HydrophobicContact CG2-CG1 3.88Å; I84-V243 HydrophobicContact CD1-CG2 3.91Å |
| 85 | M | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 179.2 | -70.3 | -57.6 | -49.7 | 0 | 0 | 112.7 | D39 Y42 A43 L81 S82 K83 A89 L235 I240 | D39-M85 HydrophobicContact CB-CE 3.84Å; Y42-M85 HydrophobicContact CD1-CB 4.48Å; Y42-M85 HydrophobicContact CD1-CE 3.99Å; Y42-M85 HydrophobicContact CD1-CG 3.85Å; Y42-M85 HydrophobicContact CD1-SD 4.3Å; Y42-M85 HydrophobicContact CE1-CG 4.13Å; Y42-M85 HydrophobicContact CE1-SD 4.49Å; A43-M85 HydrophobicContact CB-CB 3.95Å; L81-M85 HydrophobicContact CD1-CG 4.4Å; L81-M85 HydrophobicContact CG-CG 4.49Å; L81-M85 WeakPolarHBondContact O-CG 3.03Å; L81-M85 PolarHBondContact O-N 3.45Å; S82-M85 PolarHBondContact O-N 3.5Å; K83-M85 PolarHBondContact O-N 2.93Å; M85-A89 PolarHBondContact O-N 2.93Å; M85-L235 HydrophobicContact CE-CD2 4Å; M85-L235 HydrophobicContact SD-CD2 3.74Å; M85-I240 HydrophobicContact SD-CD1 4.4Å |
| 86 | K | 97.3 | Very high | 96.9 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 173.5 | -172.9 | -176.8 | 174 | -169.1 | 0 | 111.3 | A43 S82 K83 I84 A89 E90 | A43-K86 HydrophobicContact CB-CB 4.01Å; S82-K86 PolarHBondContact O-N 3.28Å; K83-K86 WeakPolarHBondContact O-CB 3.46Å; K83-K86 PolarHBondContact O-N 2.86Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 3.07Å; K86-A89 WeakPolarHBondContact O-CB 3.39Å; K86-A89 PolarHBondContact O-N 3.25Å; K86-E90 VanDerWaalsContact CE-OE1 3.22Å; K86-E90 WeakPolarHBondContact CE-OE1 3.26Å; K86-E90 WeakPolarHBondContact O-CG 3.35Å; K86-E90 PolarHBondContact O-N 3.11Å; K86-E90 VanDerWaalsContact O-N 3.11Å |
| 87 | T | 97.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 40% | 0.399 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.8 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | K83 I84 A89 E90 D91 | K83-T87 PolarHBondContact O-N 2.83Å; K83-T87 PolarHBondContact O-OG1 3.49Å; K83-T87 VanDerWaalsContact O-OG1 3.13Å; I84-T87 WeakPolarHBondContact O-CB 3.39Å; I84-T87 PolarHBondContact O-N 2.81Å; I84-T87 VanDerWaalsContact O-N 3.1Å; T87-A89 VanDerWaalsContact C-N 3.26Å; T87-A89 PolarHBondContact O-N 3.13Å; T87-E90 PolarHBondContact O-N 3.14Å; T87-D91 PolarHBondContact O-N 2.7Å |
| 88 | H | 96.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 6% | 0.06 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.1 | -41.3 | 175.5 | -72.7 | -166.4 | 0 | 0 | 0 | 112.3 | I84 L92 I232 | I84-H88 PolarHBondContact O-CD2 2.92Å; I84-H88 PolarHBondContact O-N 3.47Å; H88-L92 WeakPolarHBondContact O-CB 3.49Å; H88-L92 PolarHBondContact O-N 3.42Å; H88-I232 HydrophobicContact CB-CG2 4.17Å; H88-I232 PolarHBondContact CE1-O 3.24Å; H88-I232 VanDerWaalsContact CE1-O 3.24Å; H88-I232 VanDerWaalsContact CG-O 3.29Å; H88-I232 PolarHBondContact ND1-O 3.4Å; H88-I232 WeakPolarHBondContact O-CG2 3.49Å |
| 89 | A | 97.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V36 D39 K40 M85 K86 T87 N93 | V36-A89 HydrophobicContact CG1-CB 4.37Å; D39-A89 HydrophobicContact CB-CB 4Å; K40-A89 HydrophobicContact CB-CB 4.22Å; M85-A89 PolarHBondContact O-N 2.93Å; K86-A89 WeakPolarHBondContact O-CB 3.39Å; K86-A89 PolarHBondContact O-N 3.25Å; T87-A89 VanDerWaalsContact C-N 3.26Å; T87-A89 PolarHBondContact O-N 3.13Å; A89-N93 VanDerWaalsContact O-CB 3.23Å; A89-N93 WeakPolarHBondContact O-CB 3.28Å; A89-N93 PolarHBondContact O-N 2.72Å; A89-N93 VanDerWaalsContact O-N 3.11Å |
| 90 | E | 97.8 | Very high | 97.4 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.7 | -43.8 | 178.7 | -70.4 | 174.2 | -176.7 | 0 | 0 | 112 | K86 T87 N93 S94 | K86-E90 VanDerWaalsContact CE-OE1 3.22Å; K86-E90 WeakPolarHBondContact CE-OE1 3.26Å; K86-E90 WeakPolarHBondContact O-CG 3.35Å; K86-E90 PolarHBondContact O-N 3.11Å; K86-E90 VanDerWaalsContact O-N 3.11Å; T87-E90 PolarHBondContact O-N 3.14Å; E90-N93 PolarHBondContact O-N 2.77Å; E90-S94 WeakPolarHBondContact O-CB 3.23Å; E90-S94 PolarHBondContact O-N 3.17Å; E90-S94 PolarHBondContact O-OG 3.14Å |
| 91 | D | 97.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 177.2 | -71.4 | -16 | 0 | 0 | 0 | 111.3 | T87 N93 S94 G95 I232 | T87-D91 PolarHBondContact O-N 2.7Å; D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 3.41Å; D91-S94 PolarHBondContact O-N 3.48Å; D91-G95 WeakPolarHBondContact O-CA 2.82Å; D91-G95 PolarHBondContact O-N 3.14Å; D91-I232 HydrophobicContact CB-CD1 4.14Å; D91-I232 HydrophobicContact CB-CG2 4.15Å |
| 92 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 175.4 | 176.2 | 58.4 | 0 | 0 | 0 | 111.5 | R35 V36 H88 P96 L97 Y229 I232 T233 | R35-L92 HydrophobicContact CB-CD2 4.03Å; R35-L92 HydrophobicContact CG-CD2 3.87Å; V36-L92 HydrophobicContact CG2-CB 3.98Å; V36-L92 HydrophobicContact CG2-CD2 3.54Å; V36-L92 HydrophobicContact CG2-CG 3.54Å; H88-L92 WeakPolarHBondContact O-CB 3.49Å; H88-L92 PolarHBondContact O-N 3.42Å; L92-P96 HydrophobicContact CD1-CB 4.01Å; L92-P96 HydrophobicContact CD1-CG 4Å; L92-L97 VanDerWaalsContact O-CB 3.25Å; L92-L97 WeakPolarHBondContact O-CB 3.28Å; L92-L97 PolarHBondContact O-N 3.04Å; L92-L97 VanDerWaalsContact O-N 3.16Å; L92-Y229 HydrophobicContact CD1-CD2 3.57Å; L92-Y229 HydrophobicContact CD1-CE2 4.23Å; L92-Y229 HydrophobicContact CD2-CD2 4.3Å; L92-Y229 HydrophobicContact CD2-CE2 4.14Å; L92-I232 HydrophobicContact CB-CG2 4.13Å; L92-T233 HydrophobicContact CD2-CG2 3.81Å |
| 93 | N | 96.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 48.7 Ų | 48.7 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.7 | -42.5 | -178.6 | -176.1 | 69.7 | 0 | 0 | 0 | 112.6 | V36 A89 E90 D91 L97 | V36-N93 HydrophobicContact CG1-CB 4.03Å; V36-N93 HydrophobicContact CG2-CB 4.04Å; A89-N93 VanDerWaalsContact O-CB 3.23Å; A89-N93 WeakPolarHBondContact O-CB 3.28Å; A89-N93 PolarHBondContact O-N 2.72Å; A89-N93 VanDerWaalsContact O-N 3.11Å; E90-N93 PolarHBondContact O-N 2.77Å; D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 3.41Å; N93-L97 WeakPolarHBondContact OD1-CD2 3.39Å |
| 94 | S | 96.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 43.5 Ų | 43.5 | 56% | 0.559 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -83.5 | -25.8 | -177.5 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | E90 D91 H98 | E90-S94 WeakPolarHBondContact O-CB 3.23Å; E90-S94 PolarHBondContact O-N 3.17Å; E90-S94 PolarHBondContact O-OG 3.14Å; D91-S94 PolarHBondContact O-N 3.48Å; S94-H98 VanDerWaalsContact O-CB 3.3Å; S94-H98 WeakPolarHBondContact O-CB 3.2Å |
| 95 | G | 97.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -99.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D91 L97 H98 R99 | D91-G95 WeakPolarHBondContact O-CA 2.82Å; D91-G95 PolarHBondContact O-N 3.14Å; G95-L97 VanDerWaalsContact C-N 3.31Å; G95-L97 PolarHBondContact O-N 3.08Å; G95-H98 PolarHBondContact O-N 3.45Å; G95-H98 VanDerWaalsContact O-N 3.13Å; G95-R99 VanDerWaalsContact C-NH1 3.3Å; G95-R99 VanDerWaalsContact CA-NH1 3.29Å; G95-R99 PolarHBondContact O-N 3.11Å; G95-R99 VanDerWaalsContact O-N 3.07Å |
| 96 | P | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -51.9 | -43.8 | -172.8 | -26.8 | 31.5 | 0 | 0 | 0 | 114.2 | M32 L92 H98 R99 L100 I225 E228 I232 | M32-P96 HydrophobicContact SD-CB 4.35Å; L92-P96 HydrophobicContact CD1-CB 4.01Å; L92-P96 HydrophobicContact CD1-CG 4Å; P96-H98 PolarHBondContact O-N 3.34Å; P96-R99 PolarHBondContact O-N 3.18Å; P96-L100 VanDerWaalsContact O-CB 3.32Å; P96-L100 WeakPolarHBondContact O-CB 3.41Å; P96-L100 PolarHBondContact O-N 3.49Å; P96-I225 HydrophobicContact CB-CG2 4Å; P96-E228 HydrophobicContact CG-CB 4.01Å; P96-E228 HydrophobicContact CG-CG 3.71Å; P96-I232 HydrophobicContact CG-CD1 3.92Å |
| 97 | L | 97.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | -177.4 | 179.2 | 61.4 | 0 | 0 | 0 | 112.6 | K29 M32 V33 V36 L92 N93 G95 T101 | K29-L97 HydrophobicContact CG-CD1 3.74Å; M32-L97 HydrophobicContact CB-CD1 4.04Å; V33-L97 HydrophobicContact CG2-CD1 3.85Å; V33-L97 HydrophobicContact CG2-CD2 3.79Å; V33-L97 HydrophobicContact CG2-CG 4.47Å; V36-L97 HydrophobicContact CG2-CD2 4.36Å; L92-L97 VanDerWaalsContact O-CB 3.25Å; L92-L97 WeakPolarHBondContact O-CB 3.28Å; L92-L97 PolarHBondContact O-N 3.04Å; L92-L97 VanDerWaalsContact O-N 3.16Å; N93-L97 WeakPolarHBondContact OD1-CD2 3.39Å; G95-L97 VanDerWaalsContact C-N 3.31Å; G95-L97 PolarHBondContact O-N 3.08Å; L97-T101 WeakPolarHBondContact O-CB 3.45Å; L97-T101 PolarHBondContact O-N 2.91Å; L97-T101 PolarHBondContact O-OG1 2.65Å |
| 98 | H | 96.7 | Very high | 97.5 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -47.8 | 175.3 | -177.6 | 77.4 | 0 | 0 | 0 | 111 | S94 G95 P96 L100 T101 M102 | S94-H98 VanDerWaalsContact O-CB 3.3Å; S94-H98 WeakPolarHBondContact O-CB 3.2Å; G95-H98 PolarHBondContact O-N 3.45Å; G95-H98 VanDerWaalsContact O-N 3.13Å; P96-H98 PolarHBondContact O-N 3.34Å; H98-L100 VanDerWaalsContact C-N 3.34Å; H98-L100 PolarHBondContact O-N 3.49Å; H98-T101 WeakPolarHBondContact O-CB 3.12Å; H98-T101 PolarHBondContact O-N 3.15Å; H98-T101 VanDerWaalsContact O-N 3.1Å; H98-M102 PolarHBondContact O-N 3.2Å |
| 99 | R | 98 | Very high | 97.5 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.4 | -66.6 | -177.8 | -173.5 | 97.2 | 2.5 | 111.9 | G95 P96 T101 M102 M103 I225 E228 | G95-R99 VanDerWaalsContact C-NH1 3.3Å; G95-R99 VanDerWaalsContact CA-NH1 3.29Å; G95-R99 PolarHBondContact O-N 3.11Å; G95-R99 VanDerWaalsContact O-N 3.07Å; P96-R99 PolarHBondContact O-N 3.18Å; R99-T101 VanDerWaalsContact C-N 3.3Å; R99-T101 PolarHBondContact O-N 3.27Å; R99-M102 PolarHBondContact O-N 3.06Å; R99-M103 WeakPolarHBondContact O-CB 3.28Å; R99-M103 PolarHBondContact O-N 3.41Å; R99-I225 HydrophobicContact CB-CD1 3.94Å; R99-I225 HydrophobicContact CB-CG1 4.02Å; R99-E228 IonicContact CZ-OE1 3.64Å; R99-E228 IonicContact CZ-OE2 2.75Å; R99-E228 IonicContact NH1-OE1 2.98Å; R99-E228 PolarHBondContact NH1-OE1 3.4Å; R99-E228 IonicContact NH1-OE2 3.01Å; R99-E228 PolarHBondContact NH1-OE2 3.43Å; R99-E228 IonicContact NH2-OE1 3.75Å |
| 100 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 174.6 | -178.7 | 57.2 | 0 | 0 | 0 | 111.9 | L25 V28 K29 M32 P96 H98 M103 I104 L222 I225 | L25-L100 HydrophobicContact CB-CD1 4.41Å; L25-L100 HydrophobicContact CD2-CD1 3.94Å; V28-L100 HydrophobicContact CB-CD2 4.21Å; V28-L100 HydrophobicContact CG1-CD2 3.77Å; K29-L100 HydrophobicContact CB-CD2 3.76Å; K29-L100 HydrophobicContact CB-CG 4.25Å; M32-L100 HydrophobicContact SD-CD2 3.85Å; P96-L100 VanDerWaalsContact O-CB 3.32Å; P96-L100 WeakPolarHBondContact O-CB 3.41Å; P96-L100 PolarHBondContact O-N 3.49Å; H98-L100 VanDerWaalsContact C-N 3.34Å; H98-L100 PolarHBondContact O-N 3.49Å; L100-M103 HydrophobicContact CD1-CE 3.54Å; L100-M103 PolarHBondContact O-N 3.04Å; L100-I104 HydrophobicContact CD1-CD1 4.48Å; L100-I104 HydrophobicContact CG-CD1 4.31Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.49Å; L100-I104 PolarHBondContact O-N 3Å; L100-L222 HydrophobicContact CD1-CD1 4.31Å; L100-I225 HydrophobicContact CB-CD1 4.36Å; L100-I225 HydrophobicContact CB-CG2 4.33Å |
| 101 | T | 97.8 | Very high | 97.5 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 176.6 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | K29 L97 H98 R99 K105 | K29-T101 WeakPolarHBondContact CE-OG1 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.45Å; L97-T101 PolarHBondContact O-N 2.91Å; L97-T101 PolarHBondContact O-OG1 2.65Å; H98-T101 WeakPolarHBondContact O-CB 3.12Å; H98-T101 PolarHBondContact O-N 3.15Å; H98-T101 VanDerWaalsContact O-N 3.1Å; R99-T101 VanDerWaalsContact C-N 3.3Å; R99-T101 PolarHBondContact O-N 3.27Å; T101-K105 PolarHBondContact O-N 3.14Å |
| 102 | M | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 172.5 | -67.6 | -59.8 | 96.8 | 0 | 0 | 111.4 | H98 R99 I104 K105 D106 | H98-M102 PolarHBondContact O-N 3.2Å; R99-M102 PolarHBondContact O-N 3.06Å; M102-I104 VanDerWaalsContact C-N 3.27Å; M102-I104 PolarHBondContact O-N 3.22Å; M102-K105 HydrophobicContact CE-CD 3.91Å; M102-K105 WeakPolarHBondContact O-CA 3.3Å; M102-K105 WeakPolarHBondContact O-CB 3.13Å; M102-K105 PolarHBondContact O-N 3Å; M102-D106 PolarHBondContact O-N 3.27Å |
| 103 | M | 97.5 | Very high | 97.4 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 6% | 0.064 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 179.8 | -171.3 | 179.6 | 63.5 | 0 | 0 | 112.9 | L25 R99 L100 D106 K107 M218 A221 L222 I225 | L25-M103 HydrophobicContact CD1-CE 4.01Å; L25-M103 HydrophobicContact CD2-CE 3.42Å; L25-M103 VanDerWaalsContact CD2-CE 3.42Å; L25-M103 HydrophobicContact CG-CE 4.33Å; R99-M103 WeakPolarHBondContact O-CB 3.28Å; R99-M103 PolarHBondContact O-N 3.41Å; L100-M103 HydrophobicContact CD1-CE 3.54Å; L100-M103 PolarHBondContact O-N 3.04Å; M103-D106 PolarHBondContact O-N 2.66Å; M103-K107 WeakPolarHBondContact O-CB 3.49Å; M103-K107 PolarHBondContact O-N 3.05Å; M103-M218 HydrophobicContact CG-CE 3.58Å; M103-M218 VanDerWaalsContact O-CE 3.29Å; M103-M218 WeakPolarHBondContact O-CE 3.3Å; M103-A221 HydrophobicContact SD-CB 4.06Å; M103-L222 HydrophobicContact CE-CB 3.98Å; M103-L222 HydrophobicContact CE-CD1 3.94Å; M103-L222 HydrophobicContact CE-CG 4.46Å; M103-L222 HydrophobicContact SD-CB 4.28Å; M103-I225 HydrophobicContact CE-CD1 4.16Å; M103-I225 HydrophobicContact SD-CD1 4.3Å |
| 104 | I | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.5 | -71.7 | 163.2 | 0 | 0 | 0 | 111.3 | L22 L25 E26 K29 L100 M102 K107 Q108 | L22-I104 HydrophobicContact CD2-CG2 4.36Å; L25-I104 HydrophobicContact CB-CD1 4.09Å; L25-I104 HydrophobicContact CB-CG1 3.66Å; L25-I104 HydrophobicContact CD1-CG1 4.19Å; E26-I104 HydrophobicContact CG-CD1 4.41Å; K29-I104 HydrophobicContact CB-CD1 4.18Å; K29-I104 HydrophobicContact CD-CD1 3.79Å; L100-I104 HydrophobicContact CD1-CD1 4.48Å; L100-I104 HydrophobicContact CG-CD1 4.31Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.49Å; L100-I104 PolarHBondContact O-N 3Å; M102-I104 VanDerWaalsContact C-N 3.27Å; M102-I104 PolarHBondContact O-N 3.22Å; I104-K107 PolarHBondContact O-N 3.23Å; I104-Q108 WeakPolarHBondContact O-CG 3.42Å; I104-Q108 PolarHBondContact O-N 3.28Å |
| 105 | K | 97.4 | Very high | 97.5 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.7 | -66.4 | -179.7 | -178.1 | -177.1 | 0 | 110.8 | T101 M102 K107 Q108 Q109 | T101-K105 PolarHBondContact O-N 3.14Å; M102-K105 HydrophobicContact CE-CD 3.91Å; M102-K105 WeakPolarHBondContact O-CA 3.3Å; M102-K105 WeakPolarHBondContact O-CB 3.13Å; M102-K105 PolarHBondContact O-N 3Å; K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 3.05Å; K105-Q108 WeakPolarHBondContact O-CB 3.27Å; K105-Q108 PolarHBondContact O-N 2.9Å; K105-Q109 PolarHBondContact O-N 2.93Å |
| 106 | D | 96.9 | Very high | 97.5 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 177.2 | -64.8 | -22.5 | 0 | 0 | 0 | 111 | M102 M103 Q108 Q109 V110 M218 | M102-D106 PolarHBondContact O-N 3.27Å; M103-D106 PolarHBondContact O-N 2.66Å; D106-Q108 PolarHBondContact O-N 2.84Å; D106-Q109 WeakPolarHBondContact O-CB 3.36Å; D106-Q109 PolarHBondContact O-N 2.96Å; D106-V110 WeakPolarHBondContact O-CG2 3.49Å; D106-V110 PolarHBondContact O-N 3.31Å; D106-M218 HydrophobicContact CB-CE 4.33Å |
| 107 | K | 97.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.5 | -174 | 65.3 | 177.5 | -176.5 | 0 | 111.8 | E21 L22 L25 M103 I104 K105 Q109 V110 K111 M218 | E21-K107 WeakPolarHBondContact OE2-CE 3.34Å; E21-K107 IonicContact OE2-NZ 3.85Å; E21-K107 PolarHBondContact OE2-NZ 3.18Å; L22-K107 HydrophobicContact CD1-CG 4.49Å; L22-K107 HydrophobicContact CD2-CB 3.68Å; L22-K107 HydrophobicContact CD2-CG 3.48Å; L22-K107 VanDerWaalsContact CD2-CG 3.48Å; L22-K107 HydrophobicContact CG-CB 4.46Å; L22-K107 HydrophobicContact CG-CG 3.72Å; L25-K107 HydrophobicContact CD1-CB 4.49Å; L25-K107 HydrophobicContact CD1-CG 4.5Å; M103-K107 WeakPolarHBondContact O-CB 3.49Å; M103-K107 PolarHBondContact O-N 3.05Å; I104-K107 PolarHBondContact O-N 3.23Å; K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 3.05Å; K107-Q109 VanDerWaalsContact C-N 3.29Å; K107-Q109 PolarHBondContact O-N 3.06Å; K107-V110 PolarHBondContact O-N 3.21Å; K107-K111 PolarHBondContact O-N 2.94Å; K107-M218 HydrophobicContact CB-CE 3.52Å; K107-M218 HydrophobicContact CB-SD 4.28Å; K107-M218 HydrophobicContact CD-CE 3.89Å; K107-M218 HydrophobicContact CD-SD 3.53Å; K107-M218 VanDerWaalsContact CD-SD 3.53Å; K107-M218 HydrophobicContact CG-CE 4.28Å |
| 108 | Q | 97.8 | Very high | 97.5 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.8 | -69.5 | 171.9 | -7.9 | 0 | 0 | 111 | L22 I104 K105 D106 K111 K112 | L22-Q108 HydrophobicContact CD1-CG 4.23Å; L22-Q108 HydrophobicContact CD2-CG 3.75Å; I104-Q108 WeakPolarHBondContact O-CG 3.42Å; I104-Q108 PolarHBondContact O-N 3.28Å; K105-Q108 WeakPolarHBondContact O-CB 3.27Å; K105-Q108 PolarHBondContact O-N 2.9Å; D106-Q108 PolarHBondContact O-N 2.84Å; Q108-K111 PolarHBondContact O-N 2.96Å; Q108-K112 WeakPolarHBondContact O-CB 3.5Å; Q108-K112 PolarHBondContact O-N 3Å |
| 109 | Q | 97.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 177.5 | -176.2 | 57.8 | 28.5 | 0 | 0 | 112.2 | K105 D106 K107 K111 K112 S113 | K105-Q109 PolarHBondContact O-N 2.93Å; D106-Q109 WeakPolarHBondContact O-CB 3.36Å; D106-Q109 PolarHBondContact O-N 2.96Å; K107-Q109 VanDerWaalsContact C-N 3.29Å; K107-Q109 PolarHBondContact O-N 3.06Å; Q109-K111 PolarHBondContact O-N 3.25Å; Q109-K112 PolarHBondContact O-N 2.85Å; Q109-S113 WeakPolarHBondContact O-CB 3.43Å; Q109-S113 PolarHBondContact O-N 2.8Å |
| 110 | V | 96.6 | Very high | 97.5 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 173.5 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | D106 K107 K112 S113 Y114 L211 M214 | D106-V110 WeakPolarHBondContact O-CG2 3.49Å; D106-V110 PolarHBondContact O-N 3.31Å; K107-V110 PolarHBondContact O-N 3.21Å; V110-K112 PolarHBondContact O-N 3.19Å; V110-S113 PolarHBondContact O-N 3.1Å; V110-Y114 WeakPolarHBondContact O-CB 3.5Å; V110-Y114 PolarHBondContact O-N 2.72Å; V110-L211 HydrophobicContact CG1-CD1 4.07Å; V110-M214 HydrophobicContact CG1-CB 4.47Å; V110-M214 HydrophobicContact CG2-CE 4.05Å |
| 111 | K | 97.6 | Very high | 97.4 | Very high | 46 Ų | 46 | 60.7 Ų | 60.7 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 176.7 | -172.6 | -170.8 | -177.4 | -165.7 | 0 | 111.8 | Q18 D19 L22 K107 Q108 Q109 S113 Y114 V115 | Q18-K111 HydrophobicContact CB-CD 4.32Å; Q18-K111 HydrophobicContact CB-CG 4.25Å; Q18-K111 VanDerWaalsContact OE1-CA 3.26Å; D19-K111 IonicContact OD1-NZ 3.63Å; D19-K111 PolarHBondContact OD1-NZ 2.72Å; D19-K111 IonicContact OD2-NZ 2.66Å; D19-K111 PolarHBondContact OD2-NZ 3.1Å; L22-K111 HydrophobicContact CD1-CD 4.26Å; K107-K111 PolarHBondContact O-N 2.94Å; Q108-K111 PolarHBondContact O-N 2.96Å; Q109-K111 PolarHBondContact O-N 3.25Å; K111-S113 PolarHBondContact O-N 3.41Å; K111-Y114 PolarHBondContact O-N 2.79Å; K111-V115 WeakPolarHBondContact O-CG2 3.49Å; K111-V115 PolarHBondContact O-N 2.97Å |
| 112 | K | 97.4 | Very high | 97.3 | Very high | 151 Ų | 151 | 63.7 Ų | 63.7 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 179.2 | -173.6 | 179.6 | 179 | -177.5 | 0 | 111.8 | Q108 Q109 V110 G116 | Q108-K112 WeakPolarHBondContact O-CB 3.5Å; Q108-K112 PolarHBondContact O-N 3Å; Q109-K112 PolarHBondContact O-N 2.85Å; V110-K112 PolarHBondContact O-N 3.19Å; K112-G116 PolarHBondContact O-N 3.28Å |
| 113 | S | 97.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | Q109 V110 K111 V115 G116 V117 | Q109-S113 WeakPolarHBondContact O-CB 3.43Å; Q109-S113 PolarHBondContact O-N 2.8Å; V110-S113 PolarHBondContact O-N 3.1Å; K111-S113 PolarHBondContact O-N 3.41Å; S113-V115 PolarHBondContact O-N 3.25Å; S113-G116 PolarHBondContact O-N 2.93Å; S113-V117 WeakPolarHBondContact O-CG2 3.49Å; S113-V117 PolarHBondContact O-N 3.15Å |
| 114 | Y | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 66.6 Ų | 66.6 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.7 | -49 | 176.2 | 168.8 | -105.2 | 0 | 0 | 0 | 112.2 | H11 L15 V110 K111 G116 V117 H118 L207 L208 L211 | H11-Y114 AromaticContact CE1-CE1 3.53Å; H11-Y114 AromaticContact CE1-CZ 3.96Å; H11-Y114 AromaticContact ND1-CE1 3.55Å; H11-Y114 AromaticContact ND1-CZ 3.57Å; H11-Y114 PolarHBondContact ND1-OH 2.88Å; L15-Y114 HydrophobicContact CD2-CD1 4.12Å; L15-Y114 HydrophobicContact CD2-CE1 3.96Å; V110-Y114 WeakPolarHBondContact O-CB 3.5Å; V110-Y114 PolarHBondContact O-N 2.72Å; K111-Y114 PolarHBondContact O-N 2.79Å; Y114-G116 VanDerWaalsContact C-N 3.35Å; Y114-G116 PolarHBondContact O-N 3.29Å; Y114-V117 PolarHBondContact O-N 2.8Å; Y114-H118 VanDerWaalsContact O-CB 3.24Å; Y114-H118 WeakPolarHBondContact O-CB 3.42Å; Y114-H118 PolarHBondContact O-N 2.9Å; Y114-L207 HydrophobicContact CD2-CD1 4.07Å; Y114-L207 HydrophobicContact CD2-CD2 4.24Å; Y114-L207 HydrophobicContact CD2-CG 4.04Å; Y114-L207 HydrophobicContact CE2-CD2 4.06Å; Y114-L207 HydrophobicContact CE2-CG 4.02Å; Y114-L208 HydrophobicContact CE2-CD2 4.08Å; Y114-L211 HydrophobicContact CD1-CD2 4.27Å; Y114-L211 HydrophobicContact CD2-CB 4.26Å; Y114-L211 HydrophobicContact CD2-CD1 4.5Å; Y114-L211 HydrophobicContact CD2-CD2 3.81Å; Y114-L211 HydrophobicContact CD2-CG 4.41Å; Y114-L211 HydrophobicContact CE1-CD2 4.22Å; Y114-L211 HydrophobicContact CE2-CD2 3.77Å; Y114-L211 HydrophobicContact CG-CD1 4.39Å; Y114-L211 HydrophobicContact CG-CD2 4.06Å |
| 115 | V | 97.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 22% | 0.218 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L15 K111 S113 H118 Q119 | L15-V115 HydrophobicContact CD2-CG2 3.56Å; K111-V115 WeakPolarHBondContact O-CG2 3.49Å; K111-V115 PolarHBondContact O-N 2.97Å; S113-V115 PolarHBondContact O-N 3.25Å; V115-H118 PolarHBondContact O-N 3.05Å; V115-Q119 HydrophobicContact CG1-CG 4.44Å; V115-Q119 WeakPolarHBondContact O-CB 3.08Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.27Å; V115-Q119 PolarHBondContact O-N 3.41Å |
| 116 | G | 97.4 | Very high | 97 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K112 S113 Y114 Q119 Q120 | K112-G116 PolarHBondContact O-N 3.28Å; S113-G116 PolarHBondContact O-N 2.93Å; Y114-G116 VanDerWaalsContact C-N 3.35Å; Y114-G116 PolarHBondContact O-N 3.29Å; G116-Q119 PolarHBondContact O-N 3Å; G116-Q120 WeakPolarHBondContact O-CB 3.28Å; G116-Q120 PolarHBondContact O-N 3.24Å |
| 117 | V | 97.7 | Very high | 97 | Very high | 54 Ų | 54 | 67.8 Ų | 67.8 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 178.7 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | S113 Y114 Q119 Q120 I121 L207 | S113-V117 WeakPolarHBondContact O-CG2 3.49Å; S113-V117 PolarHBondContact O-N 3.15Å; Y114-V117 PolarHBondContact O-N 2.8Å; V117-Q119 PolarHBondContact O-N 3.33Å; V117-Q120 PolarHBondContact O-N 2.86Å; V117-I121 HydrophobicContact CG1-CG2 4.41Å; V117-I121 WeakPolarHBondContact O-CG1 3.45Å; V117-I121 PolarHBondContact O-N 3Å; V117-L207 HydrophobicContact CB-CD1 4.11Å; V117-L207 HydrophobicContact CG1-CD1 3.8Å; V117-L207 HydrophobicContact CG1-CD2 4.14Å |
| 118 | H | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 176.6 | -173.9 | -78.5 | 0 | 0 | 0 | 111.8 | H11 Y114 V115 Q120 I121 E122 L207 | H11-H118 AromaticContact CE1-CD2 3.87Å; H11-H118 AromaticContact CE1-CE1 3.99Å; H11-H118 AromaticContact CE1-CG 3.61Å; H11-H118 AromaticContact CE1-ND1 3.71Å; H11-H118 AromaticContact CG-CE1 3.74Å; H11-H118 AromaticContact CG-NE2 3.68Å; H11-H118 AromaticContact ND1-CD2 3.42Å; H11-H118 PolarHBondContact ND1-CD2 3.48Å; H11-H118 AromaticContact ND1-CE1 3.69Å; H11-H118 AromaticContact ND1-CG 3.65Å; H11-H118 AromaticContact ND1-ND1 3.82Å; H11-H118 AromaticContact ND1-NE2 3.44Å; H11-H118 PolarHBondContact ND1-NE2 3.3Å; Y114-H118 VanDerWaalsContact O-CB 3.24Å; Y114-H118 WeakPolarHBondContact O-CB 3.42Å; Y114-H118 PolarHBondContact O-N 2.9Å; V115-H118 PolarHBondContact O-N 3.05Å; H118-Q120 VanDerWaalsContact C-N 3.29Å; H118-Q120 PolarHBondContact O-N 3.2Å; H118-I121 WeakPolarHBondContact O-CG1 3.19Å; H118-I121 PolarHBondContact O-N 3.21Å; H118-E122 IonicContact CE1-OE2 2.96Å; H118-E122 PolarHBondContact CE1-OE2 3.33Å; H118-E122 IonicContact ND1-OE2 2.69Å; H118-E122 PolarHBondContact ND1-OE2 2.79Å; H118-E122 VanDerWaalsContact O-CB 3.26Å; H118-E122 WeakPolarHBondContact O-CB 3.4Å; H118-E122 PolarHBondContact O-N 3.19Å; H118-L207 HydrophobicContact CB-CD2 4Å |
| 119 | Q | 97.1 | Very high | 96.8 | Very high | 118 Ų | 118 | 64.6 Ų | 64.6 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.1 | -39 | 177.5 | -74.3 | 175.4 | -8.5 | 0 | 0 | 112 | V115 G116 V117 A123 | V115-Q119 HydrophobicContact CG1-CG 4.44Å; V115-Q119 WeakPolarHBondContact O-CB 3.08Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.27Å; V115-Q119 PolarHBondContact O-N 3.41Å; G116-Q119 PolarHBondContact O-N 3Å; V117-Q119 PolarHBondContact O-N 3.33Å; Q119-A123 WeakPolarHBondContact O-CB 3.32Å; Q119-A123 PolarHBondContact O-N 3.45Å |
| 120 | Q | 97.6 | Very high | 96.7 | Very high | 140 Ų | 140 | 64.6 Ų | 64.6 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.6 | -48.6 | 178.3 | -175.6 | -178.8 | -0.1 | 0 | 0 | 112 | G116 V117 H118 E122 A123 E124 | G116-Q120 WeakPolarHBondContact O-CB 3.28Å; G116-Q120 PolarHBondContact O-N 3.24Å; V117-Q120 PolarHBondContact O-N 2.86Å; H118-Q120 VanDerWaalsContact C-N 3.29Å; H118-Q120 PolarHBondContact O-N 3.2Å; Q120-E122 VanDerWaalsContact C-N 3.33Å; Q120-E122 PolarHBondContact O-N 2.79Å; Q120-A123 PolarHBondContact O-N 3.37Å; Q120-E124 PolarHBondContact O-N 2.94Å; Q120-E124 VanDerWaalsContact O-N 3.14Å |
| 121 | I | 96.6 | Very high | 96.6 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.138 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.9 | -34.9 | -179.5 | 64.2 | 171.2 | 0 | 0 | 0 | 111.7 | V117 H118 M125 Y199 T203 L204 L207 | V117-I121 HydrophobicContact CG1-CG2 4.41Å; V117-I121 WeakPolarHBondContact O-CG1 3.45Å; V117-I121 PolarHBondContact O-N 3Å; H118-I121 WeakPolarHBondContact O-CG1 3.19Å; H118-I121 PolarHBondContact O-N 3.21Å; I121-M125 WeakPolarHBondContact O-CB 3.46Å; I121-M125 PolarHBondContact O-N 3.06Å; I121-M125 VanDerWaalsContact O-N 3.07Å; I121-Y199 HydrophobicContact CB-CE2 4.27Å; I121-Y199 HydrophobicContact CD1-CE2 4.07Å; I121-Y199 HydrophobicContact CG1-CE2 4.03Å; I121-T203 HydrophobicContact CB-CG2 4.3Å; I121-T203 HydrophobicContact CD1-CG2 4.32Å; I121-T203 HydrophobicContact CG2-CG2 3.94Å; I121-L204 HydrophobicContact CD1-CD1 4.12Å; I121-L207 HydrophobicContact CD1-CD2 3.71Å |
| 122 | E | 95.7 | Very high | 96.5 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.1 | -41.2 | 177.5 | -173.3 | 175.1 | -159.5 | 0 | 0 | 111.8 | H118 Q120 E124 M125 Y126 | H118-E122 IonicContact CE1-OE2 2.96Å; H118-E122 PolarHBondContact CE1-OE2 3.33Å; H118-E122 IonicContact ND1-OE2 2.69Å; H118-E122 PolarHBondContact ND1-OE2 2.79Å; H118-E122 VanDerWaalsContact O-CB 3.26Å; H118-E122 WeakPolarHBondContact O-CB 3.4Å; H118-E122 PolarHBondContact O-N 3.19Å; Q120-E122 VanDerWaalsContact C-N 3.33Å; Q120-E122 PolarHBondContact O-N 2.79Å; E122-E124 PolarHBondContact O-N 3.41Å; E122-M125 PolarHBondContact O-N 2.76Å; E122-Y126 WeakPolarHBondContact O-CB 3.05Å; E122-Y126 PolarHBondContact O-N 2.86Å |
| 123 | A | 96.5 | Very high | 96.4 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q119 Q120 Y126 K127 | Q119-A123 WeakPolarHBondContact O-CB 3.32Å; Q119-A123 PolarHBondContact O-N 3.45Å; Q120-A123 PolarHBondContact O-N 3.37Å; A123-Y126 PolarHBondContact O-N 2.82Å; A123-K127 VanDerWaalsContact O-CB 3.27Å; A123-K127 WeakPolarHBondContact O-CB 3.2Å; A123-K127 PolarHBondContact O-N 3.49Å |
| 124 | E | 96 | Very high | 96.3 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 176.9 | -165.8 | 61.4 | -157.4 | 0 | 0 | 111.3 | Q120 E122 Y126 K127 V128 | Q120-E124 PolarHBondContact O-N 2.94Å; Q120-E124 VanDerWaalsContact O-N 3.14Å; E122-E124 PolarHBondContact O-N 3.41Å; E124-Y126 VanDerWaalsContact C-N 3.35Å; E124-Y126 PolarHBondContact O-N 3.22Å; E124-K127 PolarHBondContact O-N 2.88Å; E124-K127 IonicContact OE1-NZ 3.09Å; E124-K127 PolarHBondContact OE1-NZ 2.99Å; E124-K127 IonicContact OE2-NZ 3.34Å; E124-K127 PolarHBondContact OE2-NZ 2.78Å; E124-K127 VanDerWaalsContact OE2-NZ 3.09Å; E124-V128 HydrophobicContact CG-CG2 4.47Å; E124-V128 WeakPolarHBondContact O-CG2 3.23Å; E124-V128 PolarHBondContact O-N 2.72Å |
| 125 | M | 96.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 68 Ų | 68 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 173.9 | -176.1 | -77 | 166.7 | 0 | 0 | 111.3 | I121 E122 T129 Q196 Y199 Y200 | I121-M125 WeakPolarHBondContact O-CB 3.46Å; I121-M125 PolarHBondContact O-N 3.06Å; I121-M125 VanDerWaalsContact O-N 3.07Å; E122-M125 PolarHBondContact O-N 2.76Å; M125-T129 HydrophobicContact CE-CG2 3.84Å; M125-T129 WeakPolarHBondContact CE-OG1 3.47Å; M125-T129 WeakPolarHBondContact O-CB 3.19Å; M125-T129 WeakPolarHBondContact O-CG2 3.49Å; M125-T129 PolarHBondContact O-N 3.08Å; M125-T129 PolarHBondContact O-OG1 3.39Å; M125-T129 HydrophobicContact SD-CG2 4.44Å; M125-T129 PolarHBondContact SD-OG1 3.19Å; M125-Q196 HydrophobicContact CE-CG 3.98Å; M125-Y199 HydrophobicContact CB-CD2 3.87Å; M125-Y199 HydrophobicContact CB-CE2 4.09Å; M125-Y199 HydrophobicContact CB-CG 4.28Å; M125-Y199 HydrophobicContact CG-CD1 4.15Å; M125-Y199 HydrophobicContact CG-CD2 3.99Å; M125-Y199 HydrophobicContact CG-CE2 4.36Å; M125-Y199 HydrophobicContact CG-CG 3.88Å; M125-Y200 HydrophobicContact CE-CE2 4.46Å |
| 126 | Y | 95.9 | Very high | 96.2 | Very high | 142 Ų | 142 | 68 Ų | 68 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 178.9 | -175 | -93.1 | 0 | 0 | 0 | 112.3 | E122 A123 E124 K130 T131 | E122-Y126 WeakPolarHBondContact O-CB 3.05Å; E122-Y126 PolarHBondContact O-N 2.86Å; A123-Y126 PolarHBondContact O-N 2.82Å; E124-Y126 VanDerWaalsContact C-N 3.35Å; E124-Y126 PolarHBondContact O-N 3.22Å; Y126-K130 HydrophobicContact CD2-CB 4.15Å; Y126-K130 HydrophobicContact CD2-CG 3.86Å; Y126-K130 HydrophobicContact CE1-CB 4.37Å; Y126-K130 HydrophobicContact CE2-CB 3.96Å; Y126-K130 HydrophobicContact CE2-CG 3.82Å; Y126-K130 HydrophobicContact CG-CB 4.43Å; Y126-K130 WeakPolarHBondContact O-CA 3.35Å; Y126-K130 VanDerWaalsContact O-CB 3.27Å; Y126-K130 WeakPolarHBondContact O-CB 3.4Å; Y126-K130 PolarHBondContact O-N 3.39Å; Y126-T131 WeakPolarHBondContact CE1-OG1 3.39Å; Y126-T131 PolarHBondContact O-N 3.39Å; Y126-T131 VanDerWaalsContact O-N 3.15Å |
| 127 | K | 96.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -59.6 | -53.3 | 177.6 | 174.6 | 177.4 | 150.2 | -127.5 | 0 | 111.4 | A123 E124 T131 E132 | A123-K127 VanDerWaalsContact O-CB 3.27Å; A123-K127 WeakPolarHBondContact O-CB 3.2Å; A123-K127 PolarHBondContact O-N 3.49Å; E124-K127 PolarHBondContact O-N 2.88Å; E124-K127 IonicContact OE1-NZ 3.09Å; E124-K127 PolarHBondContact OE1-NZ 2.99Å; E124-K127 IonicContact OE2-NZ 3.34Å; E124-K127 PolarHBondContact OE2-NZ 2.78Å; E124-K127 VanDerWaalsContact OE2-NZ 3.09Å; K127-T131 WeakPolarHBondContact O-CB 3.29Å; K127-T131 PolarHBondContact O-N 3.39Å; K127-T131 VanDerWaalsContact O-N 3.16Å; K127-E132 WeakPolarHBondContact CE-OE1 3.33Å; K127-E132 HydrophobicContact CG-CG 4.39Å; K127-E132 PolarHBondContact O-N 3.31Å |
| 128 | V | 95.4 | Very high | 96.1 | Very high | 23 Ų | 23 | 70.1 Ų | 70.1 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -68.6 | -43.7 | -176.9 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | E124 A192 H195 | E124-V128 HydrophobicContact CG-CG2 4.47Å; E124-V128 WeakPolarHBondContact O-CG2 3.23Å; E124-V128 PolarHBondContact O-N 2.72Å; V128-A192 HydrophobicContact CG1-CB 4.08Å; V128-H195 HydrophobicContact CG1-CB 4.15Å |
| 129 | T | 95.3 | Very high | 96 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 10% | 0.104 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -90.3 | -19.6 | -171.3 | 66.6 | 0 | 0 | 0 | 0 | 115 | M125 L133 A192 Q196 | M125-T129 HydrophobicContact CE-CG2 3.84Å; M125-T129 WeakPolarHBondContact CE-OG1 3.47Å; M125-T129 WeakPolarHBondContact O-CB 3.19Å; M125-T129 WeakPolarHBondContact O-CG2 3.49Å; M125-T129 PolarHBondContact O-N 3.08Å; M125-T129 PolarHBondContact O-OG1 3.39Å; M125-T129 HydrophobicContact SD-CG2 4.44Å; M125-T129 PolarHBondContact SD-OG1 3.19Å; T129-L133 WeakPolarHBondContact O-CD1 3.49Å; T129-A192 HydrophobicContact CG2-CB 4.26Å; T129-Q196 HydrophobicContact CG2-CB 4.18Å |
| 130 | K | 94.4 | Very high | 96 | Very high | 115 Ų | 115 | 68.9 Ų | 68.9 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -118.5 | -60.2 | 179.2 | -59.6 | -67.2 | -174.5 | 175.2 | 0 | 111.8 | Y126 L133 E134 | Y126-K130 HydrophobicContact CD2-CB 4.15Å; Y126-K130 HydrophobicContact CD2-CG 3.86Å; Y126-K130 HydrophobicContact CE1-CB 4.37Å; Y126-K130 HydrophobicContact CE2-CB 3.96Å; Y126-K130 HydrophobicContact CE2-CG 3.82Å; Y126-K130 HydrophobicContact CG-CB 4.43Å; Y126-K130 WeakPolarHBondContact O-CA 3.35Å; Y126-K130 VanDerWaalsContact O-CB 3.27Å; Y126-K130 WeakPolarHBondContact O-CB 3.4Å; Y126-K130 PolarHBondContact O-N 3.39Å; K130-L133 PolarHBondContact O-N 3.32Å; K130-E134 WeakPolarHBondContact O-CB 3.32Å; K130-E134 WeakPolarHBondContact O-CG 3.35Å; K130-E134 PolarHBondContact O-N 3.39Å |
| 131 | T | 95.7 | Very high | 96 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -66.2 | -49 | -166.8 | -57 | 0 | 0 | 0 | 0 | 112.2 | Y126 K127 K135 | Y126-T131 WeakPolarHBondContact CE1-OG1 3.39Å; Y126-T131 PolarHBondContact O-N 3.39Å; Y126-T131 VanDerWaalsContact O-N 3.15Å; K127-T131 WeakPolarHBondContact O-CB 3.29Å; K127-T131 PolarHBondContact O-N 3.39Å; K127-T131 VanDerWaalsContact O-N 3.16Å; T131-K135 WeakPolarHBondContact O-CG 3.22Å; T131-K135 PolarHBondContact O-N 2.83Å |
| 132 | E | 94.6 | Very high | 95.9 | Very high | 80 Ų | 80 | 73.6 Ų | 73.6 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 180 | -69.1 | 179.1 | 177.3 | 0 | 0 | 111.8 | K127 K135 L136 | K127-E132 WeakPolarHBondContact CE-OE1 3.33Å; K127-E132 HydrophobicContact CG-CG 4.39Å; K127-E132 PolarHBondContact O-N 3.31Å; E132-K135 PolarHBondContact O-N 3.22Å; E132-L136 WeakPolarHBondContact O-CG 3.41Å; E132-L136 PolarHBondContact O-N 3.33Å; E132-L136 VanDerWaalsContact O-N 3.09Å |
| 133 | L | 95.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66 | -41 | 178.3 | -66.2 | -169.7 | 0 | 0 | 0 | 112.9 | T129 K130 L136 K137 Y185 A188 L189 A192 | T129-L133 WeakPolarHBondContact O-CD1 3.49Å; K130-L133 PolarHBondContact O-N 3.32Å; L133-L136 PolarHBondContact O-N 3.09Å; L133-K137 WeakPolarHBondContact O-CB 3.47Å; L133-K137 VanDerWaalsContact O-CG 3.29Å; L133-K137 WeakPolarHBondContact O-CG 3.49Å; L133-K137 PolarHBondContact O-N 2.98Å; L133-Y185 HydrophobicContact CD2-CE2 4.35Å; L133-A188 HydrophobicContact CD2-CB 3.95Å; L133-L189 HydrophobicContact CD1-CD1 4.04Å; L133-A192 HydrophobicContact CD1-CB 3.8Å; L133-A192 HydrophobicContact CD2-CB 4.36Å; L133-A192 HydrophobicContact CG-CB 4.24Å |
| 134 | E | 96 | Very high | 95.9 | Very high | 86 Ų | 86 | 70.4 Ų | 70.4 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 177.9 | -73.6 | -53.6 | 134.3 | 0 | 0 | 112.2 | K130 K137 S138 | K130-E134 WeakPolarHBondContact O-CB 3.32Å; K130-E134 WeakPolarHBondContact O-CG 3.35Å; K130-E134 PolarHBondContact O-N 3.39Å; E134-K137 PolarHBondContact O-N 3.4Å; E134-K137 WeakPolarHBondContact OE1-CD 3.35Å; E134-K137 IonicContact OE1-NZ 2.75Å; E134-K137 PolarHBondContact OE1-NZ 3.5Å; E134-S138 WeakPolarHBondContact O-CB 3.48Å; E134-S138 PolarHBondContact O-N 3.44Å |
| 135 | K | 95.9 | Very high | 95.8 | Very high | 139 Ų | 139 | 74.1 Ų | 74.1 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.6 | -48.6 | 170.8 | -75.5 | 176.6 | -178.9 | 180 | 0 | 111.1 | T131 E132 S138 S139 | T131-K135 WeakPolarHBondContact O-CG 3.22Å; T131-K135 PolarHBondContact O-N 2.83Å; E132-K135 PolarHBondContact O-N 3.22Å; K135-S138 PolarHBondContact O-N 3.48Å; K135-S139 PolarHBondContact O-N 3.24Å; K135-S139 VanDerWaalsContact O-N 3.13Å; K135-S139 PolarHBondContact O-OG 3.36Å |
| 136 | L | 96.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 76.7 Ų | 76.7 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 178 | -71.5 | 170.1 | 0 | 0 | 0 | 111.8 | E132 L133 S138 S139 Y140 L181 Y185 A188 | E132-L136 WeakPolarHBondContact O-CG 3.41Å; E132-L136 PolarHBondContact O-N 3.33Å; E132-L136 VanDerWaalsContact O-N 3.09Å; L133-L136 PolarHBondContact O-N 3.09Å; L136-S138 VanDerWaalsContact C-N 3.34Å; L136-S138 PolarHBondContact O-N 2.85Å; L136-S139 PolarHBondContact O-N 2.94Å; L136-Y140 VanDerWaalsContact O-CB 3.27Å; L136-Y140 WeakPolarHBondContact O-CB 3.49Å; L136-Y140 PolarHBondContact O-N 3.03Å; L136-L181 HydrophobicContact CD2-CD1 3.72Å; L136-Y185 HydrophobicContact CB-CD2 3.93Å; L136-A188 HydrophobicContact CD1-CB 3.44Å; L136-A188 VanDerWaalsContact CD1-CB 3.44Å |
| 137 | K | 96.5 | Very high | 95.6 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 27% | 0.265 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.7 | -73.8 | 174.8 | -167.8 | 171.1 | 0 | 112.6 | L133 E134 Y140 R141 Y185 | L133-K137 WeakPolarHBondContact O-CB 3.47Å; L133-K137 VanDerWaalsContact O-CG 3.29Å; L133-K137 WeakPolarHBondContact O-CG 3.49Å; L133-K137 PolarHBondContact O-N 2.98Å; E134-K137 PolarHBondContact O-N 3.4Å; E134-K137 WeakPolarHBondContact OE1-CD 3.35Å; E134-K137 IonicContact OE1-NZ 2.75Å; E134-K137 PolarHBondContact OE1-NZ 3.5Å; K137-Y140 WeakPolarHBondContact O-CB 3.45Å; K137-Y140 PolarHBondContact O-N 3.06Å; K137-R141 WeakPolarHBondContact O-CG 3.41Å; K137-R141 PolarHBondContact O-N 2.89Å; K137-Y185 WeakPolarHBondContact CE-OH 3.38Å; K137-Y185 HydrophobicContact CG-CE2 3.78Å |
| 138 | S | 96.4 | Very high | 95.5 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | E134 K135 L136 Y140 R141 Q142 | E134-S138 WeakPolarHBondContact O-CB 3.48Å; E134-S138 PolarHBondContact O-N 3.44Å; K135-S138 PolarHBondContact O-N 3.48Å; L136-S138 VanDerWaalsContact C-N 3.34Å; L136-S138 PolarHBondContact O-N 2.85Å; S138-Y140 VanDerWaalsContact C-N 3.25Å; S138-Y140 PolarHBondContact O-N 3.13Å; S138-R141 PolarHBondContact O-N 2.96Å; S138-Q142 PolarHBondContact O-N 3.29Å |
| 139 | S | 96.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | K135 L136 Q142 L143 L181 | K135-S139 PolarHBondContact O-N 3.24Å; K135-S139 VanDerWaalsContact O-N 3.13Å; K135-S139 PolarHBondContact O-OG 3.36Å; L136-S139 PolarHBondContact O-N 2.94Å; S139-Q142 PolarHBondContact O-N 3.04Å; S139-L143 PolarHBondContact O-N 3.32Å; S139-L181 VanDerWaalsContact C-CD2 3.47Å |
| 140 | Y | 96.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 177.7 | -158.5 | -50.6 | 0 | 0 | 0 | 110.6 | L136 K137 S138 Q142 L143 I144 L178 H182 Y185 | L136-Y140 VanDerWaalsContact O-CB 3.27Å; L136-Y140 WeakPolarHBondContact O-CB 3.49Å; L136-Y140 PolarHBondContact O-N 3.03Å; K137-Y140 WeakPolarHBondContact O-CB 3.45Å; K137-Y140 PolarHBondContact O-N 3.06Å; S138-Y140 VanDerWaalsContact C-N 3.25Å; S138-Y140 PolarHBondContact O-N 3.13Å; Y140-Q142 VanDerWaalsContact C-N 3.26Å; Y140-Q142 PolarHBondContact O-N 2.86Å; Y140-L143 PolarHBondContact O-N 2.76Å; Y140-I144 HydrophobicContact CD1-CD1 3.59Å; Y140-I144 HydrophobicContact CD1-CG1 3.83Å; Y140-I144 HydrophobicContact CE1-CD1 3.67Å; Y140-I144 HydrophobicContact CE1-CG1 3.88Å; Y140-I144 WeakPolarHBondContact O-CG1 3.27Å; Y140-I144 PolarHBondContact O-N 2.82Å; Y140-L178 HydrophobicContact CD1-CD1 3.77Å; Y140-L178 HydrophobicContact CE1-CD1 3.53Å; Y140-H182 HydrophobicContact CE2-CB 3.82Å; Y140-H182 AromaticContact CE2-ND1 3.66Å; Y140-H182 AromaticContact CZ-ND1 3.64Å; Y140-H182 PolarHBondContact OH-ND1 2.79Å; Y140-Y185 HydrophobicContact CD2-CD1 4.22Å; Y140-Y185 HydrophobicContact CD2-CG 4.25Å; Y140-Y185 HydrophobicContact CE2-CD1 4.2Å |
| 141 | R | 96.9 | Very high | 95 | Very high | 152 Ų | 152 | 70.2 Ų | 70.2 | 57% | 0.574 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -37 | 177.5 | -69.4 | 174.1 | -165.6 | 150.4 | 5.4 | 111.9 | K137 S138 K145 | K137-R141 WeakPolarHBondContact O-CG 3.41Å; K137-R141 PolarHBondContact O-N 2.89Å; S138-R141 PolarHBondContact O-N 2.96Å; R141-K145 WeakPolarHBondContact O-CG 3.39Å; R141-K145 PolarHBondContact O-N 3.36Å |
| 142 | Q | 95.5 | Very high | 94.7 | Very high | 113 Ų | 113 | 73.7 Ų | 73.7 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -49.3 | 175.7 | -177.3 | 177.8 | -13.5 | 0 | 0 | 111.5 | S138 S139 Y140 I144 K145 E146 | S138-Q142 PolarHBondContact O-N 3.29Å; S139-Q142 PolarHBondContact O-N 3.04Å; Y140-Q142 VanDerWaalsContact C-N 3.26Å; Y140-Q142 PolarHBondContact O-N 2.86Å; Q142-I144 VanDerWaalsContact C-N 3.28Å; Q142-I144 PolarHBondContact O-N 3Å; Q142-K145 WeakPolarHBondContact O-CB 3.34Å; Q142-K145 PolarHBondContact O-N 3.03Å; Q142-E146 PolarHBondContact NE2-OE1 3.17Å; Q142-E146 VanDerWaalsContact NE2-OE1 3.15Å; Q142-E146 PolarHBondContact O-N 3.42Å |
| 143 | L | 95.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 76.1 Ų | 76.1 | 14% | 0.136 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.9 | -32 | 178.7 | -70.6 | -174 | 0 | 0 | 0 | 112.7 | S139 Y140 K145 E146 V147 K177 L178 L181 | S139-L143 PolarHBondContact O-N 3.32Å; Y140-L143 PolarHBondContact O-N 2.76Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-E146 WeakPolarHBondContact CD2-OE2 3.28Å; L143-E146 PolarHBondContact O-N 3.18Å; L143-V147 WeakPolarHBondContact O-CB 3.34Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.29Å; L143-V147 PolarHBondContact O-N 3.44Å; L143-K177 HydrophobicContact CD1-CB 4.2Å; L143-K177 HydrophobicContact CD2-CB 4.45Å; L143-L178 HydrophobicContact CB-CB 4.37Å; L143-L178 HydrophobicContact CB-CD1 3.83Å; L143-L181 HydrophobicContact CD1-CB 3.91Å; L143-L181 HydrophobicContact CD1-CD2 3.55Å; L143-L181 HydrophobicContact CD1-CG 4.38Å; L143-L181 HydrophobicContact CG-CD2 4.25Å |
| 144 | I | 96 | Very high | 94 | Very high | 66 Ų | 66 | 79.3 Ų | 79.3 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 170.9 | -71.1 | 171.2 | 0 | 0 | 0 | 110.7 | Y140 Q142 E146 V147 N148 L178 | Y140-I144 HydrophobicContact CD1-CD1 3.59Å; Y140-I144 HydrophobicContact CD1-CG1 3.83Å; Y140-I144 HydrophobicContact CE1-CD1 3.67Å; Y140-I144 HydrophobicContact CE1-CG1 3.88Å; Y140-I144 WeakPolarHBondContact O-CG1 3.27Å; Y140-I144 PolarHBondContact O-N 2.82Å; Q142-I144 VanDerWaalsContact C-N 3.28Å; Q142-I144 PolarHBondContact O-N 3Å; I144-E146 VanDerWaalsContact C-N 3.33Å; I144-E146 PolarHBondContact O-N 3.47Å; I144-V147 PolarHBondContact O-N 3.3Å; I144-N148 WeakPolarHBondContact O-CB 3.26Å; I144-N148 VanDerWaalsContact O-CG 3.25Å; I144-N148 PolarHBondContact O-N 3.37Å; I144-N148 PolarHBondContact O-ND2 3.29Å; I144-L178 HydrophobicContact CG1-CD1 3.98Å; I144-L178 HydrophobicContact CG1-CD2 4.36Å |
| 145 | K | 94.7 | Very high | 93.6 | Very high | 157 Ų | 157 | 82.6 Ų | 82.6 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 178 | -67.9 | 177.4 | -179.6 | -176.8 | 0 | 111.3 | R141 Q142 L143 N148 S149 | R141-K145 WeakPolarHBondContact O-CG 3.39Å; R141-K145 PolarHBondContact O-N 3.36Å; Q142-K145 WeakPolarHBondContact O-CB 3.34Å; Q142-K145 PolarHBondContact O-N 3.03Å; L143-K145 VanDerWaalsContact C-N 3.35Å; K145-N148 PolarHBondContact O-N 3.36Å; K145-S149 WeakPolarHBondContact O-CB 3.2Å; K145-S149 PolarHBondContact O-N 2.92Å |
| 146 | E | 93.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 80.8 Ų | 80.8 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.8 | -70.2 | 179.1 | -161.7 | 0 | 0 | 112.1 | Q142 L143 I144 S149 A150 | Q142-E146 PolarHBondContact NE2-OE1 3.17Å; Q142-E146 VanDerWaalsContact NE2-OE1 3.15Å; Q142-E146 PolarHBondContact O-N 3.42Å; L143-E146 WeakPolarHBondContact CD2-OE2 3.28Å; L143-E146 PolarHBondContact O-N 3.18Å; I144-E146 VanDerWaalsContact C-N 3.33Å; I144-E146 PolarHBondContact O-N 3.47Å; E146-S149 PolarHBondContact O-N 3.4Å; E146-A150 VanDerWaalsContact O-CB 3.32Å; E146-A150 WeakPolarHBondContact O-CB 3.42Å; E146-A150 PolarHBondContact O-N 3.17Å |
| 147 | V | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 79.7 Ų | 79.7 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.8 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | L143 I144 A150 K151 A174 L178 | L143-V147 WeakPolarHBondContact O-CB 3.34Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.29Å; L143-V147 PolarHBondContact O-N 3.44Å; I144-V147 PolarHBondContact O-N 3.3Å; V147-A150 PolarHBondContact O-N 3.38Å; V147-K151 HydrophobicContact CG1-CD 4.05Å; V147-K151 HydrophobicContact CG1-CG 4.41Å; V147-K151 WeakPolarHBondContact O-CB 3.4Å; V147-K151 WeakPolarHBondContact O-CG 3.38Å; V147-K151 PolarHBondContact O-N 2.78Å; V147-A174 VanDerWaalsContact CG2-C 3.47Å; V147-A174 HydrophobicContact CG2-CB 3.85Å; V147-A174 WeakPolarHBondContact CG2-O 3.29Å; V147-L178 HydrophobicContact CB-CD2 4.32Å; V147-L178 HydrophobicContact CG1-CD2 4.46Å; V147-L178 HydrophobicContact CG2-CB 3.92Å; V147-L178 HydrophobicContact CG2-CD2 3.9Å |
| 148 | N | 93 | Very high | 92 | Very high | 83 Ų | 83 | 80.4 Ų | 80.4 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 178.2 | -71.7 | -17.1 | 0 | 0 | 0 | 111.4 | I144 K145 A150 K151 E152 | I144-N148 WeakPolarHBondContact O-CB 3.26Å; I144-N148 VanDerWaalsContact O-CG 3.25Å; I144-N148 PolarHBondContact O-N 3.37Å; I144-N148 PolarHBondContact O-ND2 3.29Å; K145-N148 PolarHBondContact O-N 3.36Å; N148-A150 PolarHBondContact O-N 2.86Å; N148-K151 PolarHBondContact O-N 2.85Å; N148-E152 WeakPolarHBondContact O-CG 3.4Å; N148-E152 PolarHBondContact O-N 2.84Å |
| 149 | S | 93.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 81.2 Ų | 81.2 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | K145 E146 E152 K153 | K145-S149 WeakPolarHBondContact O-CB 3.2Å; K145-S149 PolarHBondContact O-N 2.92Å; E146-S149 PolarHBondContact O-N 3.4Å; S149-E152 PolarHBondContact O-N 2.77Å; S149-K153 WeakPolarHBondContact O-CG 3.47Å; S149-K153 PolarHBondContact O-N 2.94Å |
| 150 | A | 90.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 85.8 Ų | 85.8 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E146 V147 N148 K153 Y154 C171 A174 | E146-A150 VanDerWaalsContact O-CB 3.32Å; E146-A150 WeakPolarHBondContact O-CB 3.42Å; E146-A150 PolarHBondContact O-N 3.17Å; V147-A150 PolarHBondContact O-N 3.38Å; N148-A150 PolarHBondContact O-N 2.86Å; A150-K153 PolarHBondContact O-N 3.26Å; A150-Y154 WeakPolarHBondContact O-CB 3.4Å; A150-Y154 PolarHBondContact O-N 2.97Å; A150-C171 HydrophobicContact CB-CB 4.46Å; A150-A174 HydrophobicContact CB-CB 4.22Å |
| 151 | K | 90.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 86.5 Ų | 86.5 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.7 | -77.7 | 178.2 | 178 | -179.9 | 0 | 112.4 | V147 N148 Y154 K155 C171 | V147-K151 HydrophobicContact CG1-CD 4.05Å; V147-K151 HydrophobicContact CG1-CG 4.41Å; V147-K151 WeakPolarHBondContact O-CB 3.4Å; V147-K151 WeakPolarHBondContact O-CG 3.38Å; V147-K151 PolarHBondContact O-N 2.78Å; N148-K151 PolarHBondContact O-N 2.85Å; K151-Y154 PolarHBondContact O-N 3.13Å; K151-K155 WeakPolarHBondContact O-CG 3.4Å; K151-K155 PolarHBondContact O-N 3.3Å; K151-C171 VanDerWaalsContact CG-SG 3.54Å |
| 152 | E | 89.9 | Confident | 88.6 | Confident | 123 Ų | 123 | 87.1 Ų | 87.1 | 58% | 0.575 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.4 | -49.4 | 175 | -75.7 | 174.9 | 171.8 | 0 | 0 | 111.4 | N148 S149 Y154 K155 E156 | N148-E152 WeakPolarHBondContact O-CG 3.4Å; N148-E152 PolarHBondContact O-N 2.84Å; S149-E152 PolarHBondContact O-N 2.77Å; E152-Y154 VanDerWaalsContact C-N 3.27Å; E152-Y154 PolarHBondContact O-N 3.31Å; E152-K155 WeakPolarHBondContact O-CB 3.4Å; E152-K155 PolarHBondContact O-N 3.03Å; E152-K155 VanDerWaalsContact O-N 3.14Å; E152-E156 PolarHBondContact O-N 3.12Å |
| 153 | K | 87.9 | Confident | 87.6 | Confident | 131 Ų | 131 | 87.2 Ų | 87.2 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 176.3 | -71.9 | 174.5 | -178.4 | 173.2 | 0 | 112.7 | S149 A150 A157 | S149-K153 WeakPolarHBondContact O-CG 3.47Å; S149-K153 PolarHBondContact O-N 2.94Å; A150-K153 PolarHBondContact O-N 3.26Å; K153-A157 WeakPolarHBondContact O-CB 3.43Å; K153-A157 PolarHBondContact O-N 3.46Å |
| 154 | Y | 88.4 | Confident | 86.8 | Confident | 77 Ų | 77 | 88.9 Ų | 88.9 | 30% | 0.302 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -46.4 | 173.7 | 176.6 | -112.8 | 0 | 0 | 0 | 112 | A150 K151 E152 E156 A157 V158 A167 K168 | A150-Y154 WeakPolarHBondContact O-CB 3.4Å; A150-Y154 PolarHBondContact O-N 2.97Å; K151-Y154 PolarHBondContact O-N 3.13Å; E152-Y154 VanDerWaalsContact C-N 3.27Å; E152-Y154 PolarHBondContact O-N 3.31Å; Y154-E156 VanDerWaalsContact C-N 3.27Å; Y154-E156 PolarHBondContact O-N 3.2Å; Y154-A157 PolarHBondContact O-N 3.38Å; Y154-V158 HydrophobicContact CD1-CG2 4.48Å; Y154-V158 HydrophobicContact CD2-CG2 4.17Å; Y154-V158 HydrophobicContact CE1-CG2 4.07Å; Y154-V158 HydrophobicContact CE2-CG2 3.71Å; Y154-V158 WeakPolarHBondContact O-CG2 3.23Å; Y154-V158 PolarHBondContact O-N 3.1Å; Y154-A167 HydrophobicContact CD2-CB 3.98Å; Y154-K168 HydrophobicContact CD2-CB 4.06Å; Y154-K168 HydrophobicContact CE2-CB 3.6Å; Y154-K168 HydrophobicContact CE2-CG 4.11Å |
| 155 | K | 87.3 | Confident | 86.1 | Confident | 155 Ų | 155 | 92.9 Ų | 92.9 | 67% | 0.674 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.8 | -42.3 | 174.6 | -72.6 | 176.1 | 179.7 | -177.3 | 0 | 111.7 | K151 E152 V158 A159 | K151-K155 WeakPolarHBondContact O-CG 3.4Å; K151-K155 PolarHBondContact O-N 3.3Å; E152-K155 WeakPolarHBondContact O-CB 3.4Å; E152-K155 PolarHBondContact O-N 3.03Å; E152-K155 VanDerWaalsContact O-N 3.14Å; K155-V158 PolarHBondContact O-N 3.25Å; K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 3.23Å |
| 156 | E | 86.3 | Confident | 85.6 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.6 | -74.3 | -171.5 | -146.8 | 0 | 0 | 113.3 | E152 Y154 V158 A159 K160 | E152-E156 PolarHBondContact O-N 3.12Å; Y154-E156 VanDerWaalsContact C-N 3.27Å; Y154-E156 PolarHBondContact O-N 3.2Å; E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 3.21Å; E156-A159 PolarHBondContact O-N 2.72Å; E156-K160 WeakPolarHBondContact O-CB 3.44Å; E156-K160 WeakPolarHBondContact O-CG 3.43Å; E156-K160 PolarHBondContact O-N 3.49Å; E156-K160 IonicContact OE2-NZ 2.76Å; E156-K160 PolarHBondContact OE2-NZ 3.42Å |
| 157 | A | 84.8 | Confident | 85.1 | Confident | 13 Ų | 13 | 88.1 Ų | 88.1 | 11% | 0.107 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K153 Y154 K160 G161 K162 T164 A167 | K153-A157 WeakPolarHBondContact O-CB 3.43Å; K153-A157 PolarHBondContact O-N 3.46Å; Y154-A157 PolarHBondContact O-N 3.38Å; A157-K160 PolarHBondContact O-N 2.99Å; A157-G161 PolarHBondContact O-N 3.23Å; A157-K162 PolarHBondContact O-N 3.4Å; A157-T164 WeakPolarHBondContact O-CG2 3.2Å; A157-A167 HydrophobicContact CB-CB 3.71Å |
| 158 | V | 83.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 92.8 Ų | 92.8 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | Y154 K155 E156 K160 G161 T164 | Y154-V158 HydrophobicContact CD1-CG2 4.48Å; Y154-V158 HydrophobicContact CD2-CG2 4.17Å; Y154-V158 HydrophobicContact CE1-CG2 4.07Å; Y154-V158 HydrophobicContact CE2-CG2 3.71Å; Y154-V158 WeakPolarHBondContact O-CG2 3.23Å; Y154-V158 PolarHBondContact O-N 3.1Å; K155-V158 PolarHBondContact O-N 3.25Å; E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 3.21Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 2.93Å; V158-G161 PolarHBondContact O-N 3.03Å; V158-T164 HydrophobicContact CG2-CG2 4.38Å |
| 159 | A | 84.3 | Confident | 84.6 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.4 | -33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K155 E156 | K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 3.23Å; E156-A159 PolarHBondContact O-N 2.72Å |
| 160 | K | 84.5 | Confident | 84.4 | Confident | 150 Ų | 150 | 98.5 Ų | 98.5 | 65% | 0.652 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -4.3 | -179.3 | -67.1 | 168.9 | -178.1 | 163.1 | 0 | 113.8 | E156 A157 V158 K162 | E156-K160 WeakPolarHBondContact O-CB 3.44Å; E156-K160 WeakPolarHBondContact O-CG 3.43Å; E156-K160 PolarHBondContact O-N 3.49Å; E156-K160 IonicContact OE2-NZ 2.76Å; E156-K160 PolarHBondContact OE2-NZ 3.42Å; A157-K160 PolarHBondContact O-N 2.99Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 2.93Å; K160-K162 VanDerWaalsContact C-N 3.26Å; K160-K162 PolarHBondContact O-N 3.32Å |
| 161 | G | 73.3 | Confident | 84.3 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 68% | 0.68 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 20.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A157 V158 | A157-G161 PolarHBondContact O-N 3.23Å; V158-G161 PolarHBondContact O-N 3.03Å |
| 162 | K | 72.3 | Confident | 84.3 | Confident | 164 Ų | 164 | 97.7 Ų | 97.7 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -134.7 | 133.5 | -171.5 | -150.2 | 176.3 | -175.8 | 179.2 | 0 | 111 | A157 K160 T164 | A157-K162 PolarHBondContact O-N 3.4Å; K160-K162 VanDerWaalsContact C-N 3.26Å; K160-K162 PolarHBondContact O-N 3.32Å; K162-T164 VanDerWaalsContact C-N 3.27Å; K162-T164 PolarHBondContact O-N 3.24Å |
| 163 | E | 76.3 | Confident | 84.5 | Confident | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 56.1 | 29.9 | 180 | -56.3 | -157.7 | 122.7 | 0 | 0 | 116.1 | E165 K166 A167 | E163-E165 PolarHBondContact O-N 3.02Å; E163-K166 PolarHBondContact O-N 3.43Å; E163-K166 IonicContact OE1-NZ 2.86Å; E163-K166 PolarHBondContact OE1-NZ 2.87Å; E163-A167 PolarHBondContact O-N 3.2Å; E163-A167 VanDerWaalsContact O-N 3.16Å |
| 164 | T | 77.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 92.4 Ų | 92.4 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | -175.9 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | A157 V158 K162 A167 K168 | A157-T164 WeakPolarHBondContact O-CG2 3.2Å; V158-T164 HydrophobicContact CG2-CG2 4.38Å; K162-T164 VanDerWaalsContact C-N 3.27Å; K162-T164 PolarHBondContact O-N 3.24Å; T164-A167 PolarHBondContact O-N 3.07Å; T164-K168 WeakPolarHBondContact O-CB 3.18Å; T164-K168 PolarHBondContact O-N 3.08Å |
| 165 | E | 82.3 | Confident | 84.9 | Confident | 150 Ų | 150 | 90.1 Ų | 90.1 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.5 | -41.6 | -177.1 | -165.7 | 157.5 | -154.8 | 0 | 0 | 112.5 | E163 A167 K168 D169 | E163-E165 PolarHBondContact O-N 3.02Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 2.94Å; E165-K168 WeakPolarHBondContact O-CB 3.32Å; E165-K168 PolarHBondContact O-N 3.48Å; E165-D169 PolarHBondContact O-N 2.86Å |
| 166 | K | 83.9 | Confident | 85.3 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 52% | 0.522 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 173.3 | -66.8 | -178 | -170.8 | 167.8 | 0 | 112.3 | E163 R170 | E163-K166 PolarHBondContact O-N 3.43Å; E163-K166 IonicContact OE1-NZ 2.86Å; E163-K166 PolarHBondContact OE1-NZ 2.87Å; K166-R170 WeakPolarHBondContact O-CG 3.43Å; K166-R170 PolarHBondContact O-N 2.93Å |
| 167 | A | 84 | Confident | 85.7 | Confident | 13 Ų | 13 | 88.8 Ų | 88.8 | 11% | 0.107 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.8 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y154 A157 E163 T164 E165 R170 C171 | Y154-A167 HydrophobicContact CD2-CB 3.98Å; A157-A167 HydrophobicContact CB-CB 3.71Å; E163-A167 PolarHBondContact O-N 3.2Å; E163-A167 VanDerWaalsContact O-N 3.16Å; T164-A167 PolarHBondContact O-N 3.07Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 2.94Å; A167-R170 PolarHBondContact O-N 3.37Å; A167-C171 PolarHBondContact O-N 3.13Å; A167-C171 VanDerWaalsContact O-N 3.1Å |
| 168 | K | 87.3 | Confident | 86.3 | Confident | 102 Ų | 102 | 89.2 Ų | 89.2 | 44% | 0.443 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -51.9 | 172.2 | -169.3 | -175 | 172.6 | -171.3 | 0 | 111.2 | Y154 T164 E165 R170 C171 D172 | Y154-K168 HydrophobicContact CD2-CB 4.06Å; Y154-K168 HydrophobicContact CE2-CB 3.6Å; Y154-K168 HydrophobicContact CE2-CG 4.11Å; T164-K168 WeakPolarHBondContact O-CB 3.18Å; T164-K168 PolarHBondContact O-N 3.08Å; E165-K168 WeakPolarHBondContact O-CB 3.32Å; E165-K168 PolarHBondContact O-N 3.48Å; K168-R170 VanDerWaalsContact C-N 3.26Å; K168-R170 PolarHBondContact O-N 3.48Å; K168-C171 CarbonylContact O-C 3.59Å; K168-C171 WeakPolarHBondContact O-CA 3.46Å; K168-C171 WeakPolarHBondContact O-CB 3.39Å; K168-C171 PolarHBondContact O-N 2.93Å; K168-D172 PolarHBondContact O-N 2.93Å |
| 169 | D | 89 | Confident | 86.9 | Confident | 82 Ų | 82 | 91 Ų | 91 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.8 | -38.2 | 178.2 | -86.1 | 6.2 | 0 | 0 | 0 | 113.1 | E165 K173 | E165-D169 PolarHBondContact O-N 2.86Å; D169-K173 WeakPolarHBondContact O-CB 3.22Å; D169-K173 VanDerWaalsContact O-CG 3.25Å; D169-K173 WeakPolarHBondContact O-CG 3.39Å; D169-K173 PolarHBondContact O-N 3.36Å |
| 170 | R | 87.8 | Confident | 87.5 | Confident | 166 Ų | 166 | 91.9 Ų | 91.9 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.3 | -41.1 | 175.5 | -73.5 | 176.3 | -174 | 168.3 | 2.7 | 111.7 | K166 A167 K168 A174 | K166-R170 WeakPolarHBondContact O-CG 3.43Å; K166-R170 PolarHBondContact O-N 2.93Å; A167-R170 PolarHBondContact O-N 3.37Å; K168-R170 VanDerWaalsContact C-N 3.26Å; K168-R170 PolarHBondContact O-N 3.48Å; R170-A174 WeakPolarHBondContact O-CB 3.4Å; R170-A174 PolarHBondContact O-N 3.16Å |
| 171 | C | 89.1 | Confident | 88.1 | Confident | 12 Ų | 12 | 85.5 Ų | 85.5 | 8% | 0.081 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | A150 K151 A167 K168 A174 T175 | A150-C171 HydrophobicContact CB-CB 4.46Å; K151-C171 VanDerWaalsContact CG-SG 3.54Å; A167-C171 PolarHBondContact O-N 3.13Å; A167-C171 VanDerWaalsContact O-N 3.1Å; K168-C171 CarbonylContact O-C 3.59Å; K168-C171 WeakPolarHBondContact O-CA 3.46Å; K168-C171 WeakPolarHBondContact O-CB 3.39Å; K168-C171 PolarHBondContact O-N 2.93Å; C171-A174 PolarHBondContact O-N 2.86Å; C171-T175 WeakPolarHBondContact O-CB 3.44Å; C171-T175 PolarHBondContact O-N 3.33Å; C171-T175 PolarHBondContact O-OG1 2.87Å |
| 172 | D | 91.6 | Very high | 89.2 | Confident | 83 Ų | 83 | 85.9 Ų | 85.9 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 178.3 | -70 | -15.4 | 0 | 0 | 0 | 111 | K168 T175 M176 | K168-D172 PolarHBondContact O-N 2.93Å; D172-T175 PolarHBondContact O-N 3.25Å; D172-M176 WeakPolarHBondContact O-CB 3.07Å; D172-M176 PolarHBondContact O-N 3.4Å |
| 173 | K | 93 | Very high | 90.4 | Very high | 131 Ų | 131 | 82.8 Ų | 82.8 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 174.2 | -76.5 | 173.4 | -176.8 | 173.5 | 0 | 113 | D169 K177 | D169-K173 WeakPolarHBondContact O-CB 3.22Å; D169-K173 VanDerWaalsContact O-CG 3.25Å; D169-K173 WeakPolarHBondContact O-CG 3.39Å; D169-K173 PolarHBondContact O-N 3.36Å; K173-K177 WeakPolarHBondContact O-CG 3.49Å; K173-K177 PolarHBondContact O-N 3.36Å; K173-K177 VanDerWaalsContact O-N 3.12Å |
| 174 | A | 91.9 | Very high | 91.4 | Very high | 13 Ų | 13 | 82.4 Ų | 82.4 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V147 A150 R170 C171 K177 L178 | V147-A174 VanDerWaalsContact CG2-C 3.47Å; V147-A174 HydrophobicContact CG2-CB 3.85Å; V147-A174 WeakPolarHBondContact CG2-O 3.29Å; A150-A174 HydrophobicContact CB-CB 4.22Å; R170-A174 WeakPolarHBondContact O-CB 3.4Å; R170-A174 PolarHBondContact O-N 3.16Å; C171-A174 PolarHBondContact O-N 2.86Å; A174-K177 PolarHBondContact O-N 3.46Å; A174-L178 PolarHBondContact O-N 2.87Å |
| 175 | T | 93.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 81.7 Ų | 81.7 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | C171 D172 K177 L178 H179 | C171-T175 WeakPolarHBondContact O-CB 3.44Å; C171-T175 PolarHBondContact O-N 3.33Å; C171-T175 PolarHBondContact O-OG1 2.87Å; D172-T175 PolarHBondContact O-N 3.25Å; T175-K177 PolarHBondContact O-N 3.35Å; T175-L178 PolarHBondContact O-N 3.34Å; T175-H179 WeakPolarHBondContact CG2-NE2 3.46Å; T175-H179 PolarHBondContact O-CD2 3.43Å; T175-H179 PolarHBondContact O-N 3.3Å |
| 176 | M | 95.3 | Very high | 93 | Very high | 108 Ų | 108 | 77.9 Ų | 77.9 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 174.2 | -175.2 | -175.2 | 75.9 | 0 | 0 | 111.5 | D172 L178 H179 M180 | D172-M176 WeakPolarHBondContact O-CB 3.07Å; D172-M176 PolarHBondContact O-N 3.4Å; M176-L178 VanDerWaalsContact C-N 3.34Å; M176-L178 PolarHBondContact O-N 3.22Å; M176-H179 PolarHBondContact O-N 3.39Å; M176-M180 HydrophobicContact CG-SD 4.37Å; M176-M180 WeakPolarHBondContact O-CG 3.21Å; M176-M180 PolarHBondContact O-N 2.9Å |
| 177 | K | 95.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 78.3 Ų | 78.3 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176 | -73 | 178.6 | 179 | -174.7 | 0 | 112.2 | L143 K173 A174 T175 M180 L181 | L143-K177 HydrophobicContact CD1-CB 4.2Å; L143-K177 HydrophobicContact CD2-CB 4.45Å; K173-K177 WeakPolarHBondContact O-CG 3.49Å; K173-K177 PolarHBondContact O-N 3.36Å; K173-K177 VanDerWaalsContact O-N 3.12Å; A174-K177 PolarHBondContact O-N 3.46Å; T175-K177 PolarHBondContact O-N 3.35Å; K177-M180 PolarHBondContact O-N 3.48Å; K177-L181 WeakPolarHBondContact O-CB 3.35Å; K177-L181 PolarHBondContact O-N 3.31Å |
| 178 | L | 96.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 79.2 Ų | 79.2 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.7 | 179.3 | 64.1 | 0 | 0 | 0 | 111.7 | Y140 L143 I144 V147 A174 T175 M176 L181 H182 | Y140-L178 HydrophobicContact CD1-CD1 3.77Å; Y140-L178 HydrophobicContact CE1-CD1 3.53Å; L143-L178 HydrophobicContact CB-CB 4.37Å; L143-L178 HydrophobicContact CB-CD1 3.83Å; I144-L178 HydrophobicContact CG1-CD1 3.98Å; I144-L178 HydrophobicContact CG1-CD2 4.36Å; V147-L178 HydrophobicContact CB-CD2 4.32Å; V147-L178 HydrophobicContact CG1-CD2 4.46Å; V147-L178 HydrophobicContact CG2-CB 3.92Å; V147-L178 HydrophobicContact CG2-CD2 3.9Å; A174-L178 PolarHBondContact O-N 2.87Å; T175-L178 PolarHBondContact O-N 3.34Å; M176-L178 VanDerWaalsContact C-N 3.34Å; M176-L178 PolarHBondContact O-N 3.22Å; L178-L181 PolarHBondContact O-N 3.14Å; L178-H182 WeakPolarHBondContact O-CB 3.4Å; L178-H182 PolarHBondContact O-N 3.33Å |
| 179 | H | 96.8 | Very high | 94.7 | Very high | 113 Ų | 113 | 77.1 Ų | 77.1 | 52% | 0.523 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.3 | -69.1 | -177.2 | 0 | 0 | 0 | 112 | T175 M176 L181 H182 N183 | T175-H179 WeakPolarHBondContact CG2-NE2 3.46Å; T175-H179 PolarHBondContact O-CD2 3.43Å; T175-H179 PolarHBondContact O-N 3.3Å; M176-H179 PolarHBondContact O-N 3.39Å; H179-L181 PolarHBondContact O-N 2.99Å; H179-H182 WeakPolarHBondContact O-CB 3.2Å; H179-H182 PolarHBondContact O-N 3.12Å; H179-N183 PolarHBondContact O-N 2.87Å |
| 180 | M | 96.5 | Very high | 95.1 | Very high | 108 Ų | 108 | 79.9 Ų | 79.9 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 174.3 | -72 | -179.3 | 72 | 0 | 0 | 111.5 | M176 K177 H182 N183 Q184 | M176-M180 HydrophobicContact CG-SD 4.37Å; M176-M180 WeakPolarHBondContact O-CG 3.21Å; M176-M180 PolarHBondContact O-N 2.9Å; K177-M180 PolarHBondContact O-N 3.48Å; M180-H182 VanDerWaalsContact C-N 3.34Å; M180-N183 PolarHBondContact O-N 3.12Å; M180-Q184 WeakPolarHBondContact O-CG 3.4Å; M180-Q184 PolarHBondContact O-N 3.36Å; M180-Q184 VanDerWaalsContact O-N 3.13Å |
| 181 | L | 97.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 177 | -174.7 | 63.6 | 0 | 0 | 0 | 112.2 | L136 S139 L143 K177 L178 H179 Q184 Y185 | L136-L181 HydrophobicContact CD2-CD1 3.72Å; S139-L181 VanDerWaalsContact C-CD2 3.47Å; L143-L181 HydrophobicContact CD1-CB 3.91Å; L143-L181 HydrophobicContact CD1-CD2 3.55Å; L143-L181 HydrophobicContact CD1-CG 4.38Å; L143-L181 HydrophobicContact CG-CD2 4.25Å; K177-L181 WeakPolarHBondContact O-CB 3.35Å; K177-L181 PolarHBondContact O-N 3.31Å; L178-L181 PolarHBondContact O-N 3.14Å; H179-L181 PolarHBondContact O-N 2.99Å; L181-Q184 PolarHBondContact O-N 3.02Å; L181-Y185 WeakPolarHBondContact O-CB 3.42Å; L181-Y185 PolarHBondContact O-N 3.41Å |
| 182 | H | 96.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 73.5 Ų | 73.5 | 34% | 0.343 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.6 | 175.6 | 84 | 0 | 0 | 0 | 111.4 | Y140 L178 H179 M180 Q184 Y185 V186 | Y140-H182 HydrophobicContact CE2-CB 3.82Å; Y140-H182 AromaticContact CE2-ND1 3.66Å; Y140-H182 AromaticContact CZ-ND1 3.64Å; Y140-H182 PolarHBondContact OH-ND1 2.79Å; L178-H182 WeakPolarHBondContact O-CB 3.4Å; L178-H182 PolarHBondContact O-N 3.33Å; H179-H182 WeakPolarHBondContact O-CB 3.2Å; H179-H182 PolarHBondContact O-N 3.12Å; M180-H182 VanDerWaalsContact C-N 3.34Å; H182-Q184 VanDerWaalsContact C-N 3.33Å; H182-Q184 PolarHBondContact O-N 3Å; H182-Y185 PolarHBondContact O-N 2.91Å; H182-V186 WeakPolarHBondContact O-CG2 3Å; H182-V186 PolarHBondContact O-N 3.04Å |
| 183 | N | 96.9 | Very high | 96.1 | Very high | 98 Ų | 98 | 74 Ų | 74 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -44 | 177.4 | -66.6 | -13.2 | 0 | 0 | 0 | 111.5 | H179 M180 Y185 V186 L187 | H179-N183 PolarHBondContact O-N 2.87Å; M180-N183 PolarHBondContact O-N 3.12Å; N183-Y185 VanDerWaalsContact C-N 3.35Å; N183-Y185 PolarHBondContact O-N 2.74Å; N183-V186 PolarHBondContact O-N 3.18Å; N183-L187 VanDerWaalsContact O-CG 3.29Å; N183-L187 WeakPolarHBondContact O-CG 3.39Å; N183-L187 PolarHBondContact O-N 2.99Å |
| 184 | Q | 96.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 72.7 Ų | 72.7 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 175.6 | -71.4 | 177.5 | -8.6 | 0 | 0 | 112.3 | M180 L181 H182 L187 A188 | M180-Q184 WeakPolarHBondContact O-CG 3.4Å; M180-Q184 PolarHBondContact O-N 3.36Å; M180-Q184 VanDerWaalsContact O-N 3.13Å; L181-Q184 PolarHBondContact O-N 3.02Å; H182-Q184 VanDerWaalsContact C-N 3.33Å; H182-Q184 PolarHBondContact O-N 3Å; Q184-L187 PolarHBondContact O-N 2.84Å; Q184-A188 WeakPolarHBondContact O-CB 3.34Å; Q184-A188 PolarHBondContact O-N 3.47Å |
| 185 | Y | 97.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 74.7 Ų | 74.7 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 178.1 | 175.9 | -112.9 | 0 | 0 | 0 | 112.4 | L133 L136 K137 Y140 L181 H182 N183 L187 A188 L189 | L133-Y185 HydrophobicContact CD2-CE2 4.35Å; L136-Y185 HydrophobicContact CB-CD2 3.93Å; K137-Y185 WeakPolarHBondContact CE-OH 3.38Å; K137-Y185 HydrophobicContact CG-CE2 3.78Å; Y140-Y185 HydrophobicContact CD2-CD1 4.22Å; Y140-Y185 HydrophobicContact CD2-CG 4.25Å; Y140-Y185 HydrophobicContact CE2-CD1 4.2Å; L181-Y185 WeakPolarHBondContact O-CB 3.42Å; L181-Y185 PolarHBondContact O-N 3.41Å; H182-Y185 PolarHBondContact O-N 2.91Å; N183-Y185 VanDerWaalsContact C-N 3.35Å; N183-Y185 PolarHBondContact O-N 2.74Å; Y185-L187 PolarHBondContact O-N 3.46Å; Y185-A188 PolarHBondContact O-N 3.4Å; Y185-L189 HydrophobicContact CE1-CD2 4.49Å; Y185-L189 VanDerWaalsContact O-CB 3.28Å; Y185-L189 WeakPolarHBondContact O-CB 3.2Å; Y185-L189 PolarHBondContact O-N 2.8Å |
| 186 | V | 97.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 77.6 Ų | 77.6 | 42% | 0.424 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | H182 N183 L189 K190 | H182-V186 WeakPolarHBondContact O-CG2 3Å; H182-V186 PolarHBondContact O-N 3.04Å; N183-V186 PolarHBondContact O-N 3.18Å; V186-L189 PolarHBondContact O-N 2.76Å; V186-K190 PolarHBondContact O-N 3.39Å |
| 187 | L | 96.8 | Very high | 96.6 | Very high | 130 Ų | 130 | 78.5 Ų | 78.5 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.5 | -48 | 175.6 | -70 | 172 | 0 | 0 | 0 | 111.8 | N183 Q184 Y185 L189 K190 G191 | N183-L187 VanDerWaalsContact O-CG 3.29Å; N183-L187 WeakPolarHBondContact O-CG 3.39Å; N183-L187 PolarHBondContact O-N 2.99Å; Q184-L187 PolarHBondContact O-N 2.84Å; Y185-L187 PolarHBondContact O-N 3.46Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.19Å; L187-K190 PolarHBondContact O-N 3.29Å; L187-G191 PolarHBondContact O-N 2.99Å |
| 188 | A | 96.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 77.8 Ų | 77.8 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L133 L136 Q184 Y185 G191 A192 | L133-A188 HydrophobicContact CD2-CB 3.95Å; L136-A188 HydrophobicContact CD1-CB 3.44Å; L136-A188 VanDerWaalsContact CD1-CB 3.44Å; Q184-A188 WeakPolarHBondContact O-CB 3.34Å; Q184-A188 PolarHBondContact O-N 3.47Å; Y185-A188 PolarHBondContact O-N 3.4Å; A188-G191 PolarHBondContact O-N 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.41Å; A188-A192 PolarHBondContact O-N 3.21Å |
| 189 | L | 97.1 | Very high | 96.5 | Very high | 57 Ų | 57 | 77.5 Ų | 77.5 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.4 | -179.4 | 63.3 | 0 | 0 | 0 | 111.3 | L133 Y185 V186 L187 A192 Q193 | L133-L189 HydrophobicContact CD1-CD1 4.04Å; Y185-L189 HydrophobicContact CE1-CD2 4.49Å; Y185-L189 VanDerWaalsContact O-CB 3.28Å; Y185-L189 WeakPolarHBondContact O-CB 3.2Å; Y185-L189 PolarHBondContact O-N 2.8Å; V186-L189 PolarHBondContact O-N 2.76Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.19Å; L189-A192 PolarHBondContact O-N 2.96Å; L189-Q193 VanDerWaalsContact O-CG 3.31Å; L189-Q193 WeakPolarHBondContact O-CG 3.35Å; L189-Q193 PolarHBondContact O-N 2.95Å |
| 190 | K | 96.7 | Very high | 96.5 | Very high | 141 Ų | 141 | 75.3 Ų | 75.3 | 61% | 0.613 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | 177.3 | -174.8 | 59.5 | 178.4 | 178.1 | 0 | 111.8 | V186 L187 Q193 L194 | V186-K190 PolarHBondContact O-N 3.39Å; L187-K190 PolarHBondContact O-N 3.29Å; K190-Q193 PolarHBondContact O-N 3.05Å; K190-L194 PolarHBondContact O-N 3.41Å; K190-L194 VanDerWaalsContact O-N 3.16Å |
| 191 | G | 96.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 74.5 Ų | 74.5 | 40% | 0.402 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L187 A188 Q193 L194 H195 | L187-G191 PolarHBondContact O-N 2.99Å; A188-G191 PolarHBondContact O-N 3.26Å; G191-Q193 PolarHBondContact O-N 3.2Å; G191-L194 PolarHBondContact O-N 2.85Å; G191-H195 WeakPolarHBondContact O-CB 3.47Å; G191-H195 PolarHBondContact O-N 3.45Å |
| 192 | A | 96.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 77.1 Ų | 77.1 | 3% | 0.033 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V128 T129 L133 A188 L189 H195 Q196 | V128-A192 HydrophobicContact CG1-CB 4.08Å; T129-A192 HydrophobicContact CG2-CB 4.26Å; L133-A192 HydrophobicContact CD1-CB 3.8Å; L133-A192 HydrophobicContact CD2-CB 4.36Å; L133-A192 HydrophobicContact CG-CB 4.24Å; A188-A192 WeakPolarHBondContact O-CB 3.41Å; A188-A192 PolarHBondContact O-N 3.21Å; L189-A192 PolarHBondContact O-N 2.96Å; A192-H195 PolarHBondContact O-N 3.26Å; A192-Q196 WeakPolarHBondContact O-CB 3.43Å; A192-Q196 PolarHBondContact O-N 3.01Å |
| 193 | Q | 96.8 | Very high | 96.2 | Very high | 95 Ų | 95 | 76.4 Ų | 76.4 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 174.4 | -76 | 174.3 | -21.4 | 0 | 0 | 111.9 | L189 K190 G191 Q196 H197 | L189-Q193 VanDerWaalsContact O-CG 3.31Å; L189-Q193 WeakPolarHBondContact O-CG 3.35Å; L189-Q193 PolarHBondContact O-N 2.95Å; K190-Q193 PolarHBondContact O-N 3.05Å; G191-Q193 PolarHBondContact O-N 3.2Å; Q193-Q196 PolarHBondContact O-N 3.15Å; Q193-H197 PolarHBondContact O-N 3.03Å; Q193-H197 VanDerWaalsContact O-N 3.1Å |
| 194 | L | 96.1 | Very high | 96.2 | Very high | 103 Ų | 103 | 71.9 Ų | 71.9 | 54% | 0.539 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.5 | -176.9 | 63.4 | 0 | 0 | 0 | 111.2 | K190 G191 Q196 H197 Q198 | K190-L194 PolarHBondContact O-N 3.41Å; K190-L194 VanDerWaalsContact O-N 3.16Å; G191-L194 PolarHBondContact O-N 2.85Å; L194-Q196 VanDerWaalsContact C-N 3.33Å; L194-Q196 PolarHBondContact O-N 3.24Å; L194-H197 PolarHBondContact O-N 3.32Å; L194-Q198 WeakPolarHBondContact O-CG 3.36Å; L194-Q198 PolarHBondContact O-N 3.43Å |
| 195 | H | 95.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 177.9 | -168.1 | 82.1 | 0 | 0 | 0 | 111.9 | V128 G191 A192 Q198 Y199 | V128-H195 HydrophobicContact CG1-CB 4.15Å; G191-H195 WeakPolarHBondContact O-CB 3.47Å; G191-H195 PolarHBondContact O-N 3.45Å; A192-H195 PolarHBondContact O-N 3.26Å; H195-Q198 PolarHBondContact O-N 3.04Å; H195-Y199 WeakPolarHBondContact O-CB 3.45Å; H195-Y199 PolarHBondContact O-N 3.19Å |
| 196 | Q | 96.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.9 | -173.5 | 178 | 22.4 | 0 | 0 | 112 | M125 T129 A192 Q193 L194 Y199 Y200 | M125-Q196 HydrophobicContact CE-CG 3.98Å; T129-Q196 HydrophobicContact CG2-CB 4.18Å; A192-Q196 WeakPolarHBondContact O-CB 3.43Å; A192-Q196 PolarHBondContact O-N 3.01Å; Q193-Q196 PolarHBondContact O-N 3.15Å; L194-Q196 VanDerWaalsContact C-N 3.33Å; L194-Q196 PolarHBondContact O-N 3.24Å; Q196-Y199 PolarHBondContact O-N 2.96Å; Q196-Y200 HydrophobicContact CG-CD2 4.08Å; Q196-Y200 HydrophobicContact CG-CE2 4.07Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.41Å; Q196-Y200 PolarHBondContact O-N 3.13Å |
| 197 | H | 95.9 | Very high | 96.2 | Very high | 127 Ų | 127 | 68.4 Ų | 68.4 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.8 | -50.6 | 176.2 | -120.2 | 72.8 | 0 | 0 | 0 | 111 | Q193 L194 Y199 Y200 D201 | Q193-H197 PolarHBondContact O-N 3.03Å; Q193-H197 VanDerWaalsContact O-N 3.1Å; L194-H197 PolarHBondContact O-N 3.32Å; H197-Y199 VanDerWaalsContact C-N 3.26Å; H197-Y199 PolarHBondContact O-N 3.37Å; H197-Y200 PolarHBondContact O-N 3.31Å; H197-D201 IonicContact CD2-OD2 2.86Å; H197-D201 PolarHBondContact CD2-OD2 3.04Å; H197-D201 IonicContact CG-OD2 2.67Å; H197-D201 IonicContact NE2-OD2 3.75Å; H197-D201 VanDerWaalsContact O-CB 3.3Å; H197-D201 WeakPolarHBondContact O-CB 3.47Å; H197-D201 PolarHBondContact O-N 3.25Å |
| 198 | Q | 95 | Very high | 96.3 | Very high | 104 Ų | 104 | 62.4 Ų | 62.4 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -36.9 | 179.1 | -74.5 | -173.5 | -25.7 | 0 | 0 | 112.8 | L194 H195 T202 T203 | L194-Q198 WeakPolarHBondContact O-CG 3.36Å; L194-Q198 PolarHBondContact O-N 3.43Å; H195-Q198 PolarHBondContact O-N 3.04Å; Q198-T202 WeakPolarHBondContact O-CA 3.45Å; Q198-T202 WeakPolarHBondContact O-CB 3.37Å; Q198-T202 PolarHBondContact O-N 3.32Å; Q198-T203 PolarHBondContact O-N 3.17Å; Q198-T203 PolarHBondContact O-OG1 3.45Å |
| 199 | Y | 95.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 64 Ų | 64 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -59.1 | -53.2 | 175.6 | 176.4 | -92 | 0 | 0 | 0 | 111.9 | I121 M125 H195 Q196 H197 T203 L204 | I121-Y199 HydrophobicContact CB-CE2 4.27Å; I121-Y199 HydrophobicContact CD1-CE2 4.07Å; I121-Y199 HydrophobicContact CG1-CE2 4.03Å; M125-Y199 HydrophobicContact CB-CD2 3.87Å; M125-Y199 HydrophobicContact CB-CE2 4.09Å; M125-Y199 HydrophobicContact CB-CG 4.28Å; M125-Y199 HydrophobicContact CG-CD1 4.15Å; M125-Y199 HydrophobicContact CG-CD2 3.99Å; M125-Y199 HydrophobicContact CG-CE2 4.36Å; M125-Y199 HydrophobicContact CG-CG 3.88Å; H195-Y199 WeakPolarHBondContact O-CB 3.45Å; H195-Y199 PolarHBondContact O-N 3.19Å; Q196-Y199 PolarHBondContact O-N 2.96Å; H197-Y199 VanDerWaalsContact C-N 3.26Å; H197-Y199 PolarHBondContact O-N 3.37Å; Y199-T203 PolarHBondContact O-N 2.78Å; Y199-L204 HydrophobicContact CE1-CB 4.29Å; Y199-L204 HydrophobicContact CE1-CD2 3.91Å; Y199-L204 HydrophobicContact CE2-CB 4.47Å; Y199-L204 WeakPolarHBondContact O-CB 3.4Å; Y199-L204 PolarHBondContact O-N 2.93Å |
| 200 | Y | 94.9 | Very high | 96.3 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -78.5 | -29.7 | -175 | -77.2 | -67.8 | 0 | 0 | 0 | 114.2 | K8 Y9 M125 Q196 H197 P205 | K8-Y200 PolarHBondContact NZ-O 3.14Å; Y9-Y200 AromaticContact CE1-CE1 3.79Å; Y9-Y200 HydrophobicContact CE1-CE1 3.79Å; M125-Y200 HydrophobicContact CE-CE2 4.46Å; Q196-Y200 HydrophobicContact CG-CD2 4.08Å; Q196-Y200 HydrophobicContact CG-CE2 4.07Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.41Å; Q196-Y200 PolarHBondContact O-N 3.13Å; H197-Y200 PolarHBondContact O-N 3.31Å; Y200-P205 WeakPolarHBondContact O-CD 3.49Å; Y200-P205 VanDerWaalsContact O-CG 3.29Å; Y200-P205 WeakPolarHBondContact O-CG 3.39Å |
| 201 | D | 93.7 | Very high | 96.3 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -92.1 | -21.8 | -175.5 | -66.2 | -17.7 | 0 | 0 | 0 | 112.7 | H197 | H197-D201 IonicContact CD2-OD2 2.86Å; H197-D201 PolarHBondContact CD2-OD2 3.04Å; H197-D201 IonicContact CG-OD2 2.67Å; H197-D201 IonicContact NE2-OD2 3.75Å; H197-D201 VanDerWaalsContact O-CB 3.3Å; H197-D201 WeakPolarHBondContact O-CB 3.47Å; H197-D201 PolarHBondContact O-N 3.25Å |
| 202 | T | 95.1 | Very high | 96.4 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -138.1 | -61.1 | -171.1 | -51.5 | 0 | 0 | 0 | 0 | 112.7 | Q198 L204 P205 L206 | Q198-T202 WeakPolarHBondContact O-CA 3.45Å; Q198-T202 WeakPolarHBondContact O-CB 3.37Å; Q198-T202 PolarHBondContact O-N 3.32Å; T202-L204 PolarHBondContact O-N 2.9Å; T202-P205 WeakPolarHBondContact O-CD 3.41Å; T202-L206 HydrophobicContact CG2-CD1 3.65Å; T202-L206 HydrophobicContact CG2-CG 4.38Å; T202-L206 WeakPolarHBondContact O-CB 3.36Å; T202-L206 WeakPolarHBondContact O-CG 3.47Å; T202-L206 PolarHBondContact O-N 3.21Å |
| 203 | T | 96.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -63 | -50.4 | -169.3 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | I121 Q198 Y199 L207 | I121-T203 HydrophobicContact CB-CG2 4.3Å; I121-T203 HydrophobicContact CD1-CG2 4.32Å; I121-T203 HydrophobicContact CG2-CG2 3.94Å; Q198-T203 PolarHBondContact O-N 3.17Å; Q198-T203 PolarHBondContact O-OG1 3.45Å; Y199-T203 PolarHBondContact O-N 2.78Å; T203-L207 PolarHBondContact O-N 3Å |
| 204 | L | 96.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69 | -47.1 | 179.6 | 177 | 64.4 | 0 | 0 | 0 | 111.9 | K8 I121 Y199 T202 L206 L207 L208 | K8-L204 HydrophobicContact CB-CD2 4.27Å; K8-L204 WeakPolarHBondContact O-CD2 3.46Å; I121-L204 HydrophobicContact CD1-CD1 4.12Å; Y199-L204 HydrophobicContact CE1-CB 4.29Å; Y199-L204 HydrophobicContact CE1-CD2 3.91Å; Y199-L204 HydrophobicContact CE2-CB 4.47Å; Y199-L204 WeakPolarHBondContact O-CB 3.4Å; Y199-L204 PolarHBondContact O-N 2.93Å; T202-L204 PolarHBondContact O-N 2.9Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 3.45Å; L204-L207 PolarHBondContact O-N 3.32Å; L204-L208 HydrophobicContact CD1-CD1 4.23Å; L204-L208 HydrophobicContact CD1-CG 4.15Å; L204-L208 HydrophobicContact CG-CD1 4.09Å; L204-L208 HydrophobicContact CG-CG 4.42Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 2.96Å; L204-L208 VanDerWaalsContact O-N 3.08Å |
| 205 | P | 97 | Very high | 96.4 | Very high | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.1 | -44.4 | 173.9 | -30.1 | 36.7 | 0 | 0 | 0 | 114.1 | G4 K8 Y200 T202 L207 L208 D209 | G4-P205 WeakPolarHBondContact CA-O 3.45Å; K8-P205 HydrophobicContact CD-CG 4.41Å; Y200-P205 WeakPolarHBondContact O-CD 3.49Å; Y200-P205 VanDerWaalsContact O-CG 3.29Å; Y200-P205 WeakPolarHBondContact O-CG 3.39Å; T202-P205 WeakPolarHBondContact O-CD 3.41Å; P205-L207 PolarHBondContact O-N 2.93Å; P205-L208 PolarHBondContact O-N 3.24Å; P205-L208 VanDerWaalsContact O-N 3.17Å; P205-D209 PolarHBondContact O-N 3.48Å |
| 206 | L | 97.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 62 Ų | 62 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 178.8 | -74.5 | 172.5 | 0 | 0 | 0 | 112.9 | T202 L204 L208 S210 | T202-L206 HydrophobicContact CG2-CD1 3.65Å; T202-L206 HydrophobicContact CG2-CG 4.38Å; T202-L206 WeakPolarHBondContact O-CB 3.36Å; T202-L206 WeakPolarHBondContact O-CG 3.47Å; T202-L206 PolarHBondContact O-N 3.21Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 3.45Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-S210 VanDerWaalsContact O-CB 3.31Å; L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 3.32Å |
| 207 | L | 97.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.3 | 174.9 | 62.2 | 0 | 0 | 0 | 111.3 | Y114 V117 H118 I121 T203 L204 P205 S210 L211 | Y114-L207 HydrophobicContact CD2-CD1 4.07Å; Y114-L207 HydrophobicContact CD2-CD2 4.24Å; Y114-L207 HydrophobicContact CD2-CG 4.04Å; Y114-L207 HydrophobicContact CE2-CD2 4.06Å; Y114-L207 HydrophobicContact CE2-CG 4.02Å; V117-L207 HydrophobicContact CB-CD1 4.11Å; V117-L207 HydrophobicContact CG1-CD1 3.8Å; V117-L207 HydrophobicContact CG1-CD2 4.14Å; H118-L207 HydrophobicContact CB-CD2 4Å; I121-L207 HydrophobicContact CD1-CD2 3.71Å; T203-L207 PolarHBondContact O-N 3Å; L204-L207 PolarHBondContact O-N 3.32Å; P205-L207 PolarHBondContact O-N 2.93Å; L207-S210 PolarHBondContact O-N 2.92Å; L207-L211 PolarHBondContact O-N 3.48Å |
| 208 | L | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | -178.9 | -68.3 | -178.8 | 0 | 0 | 0 | 112 | F3 L14 Y114 L204 P205 L206 S210 L211 Q212 | F3-L208 HydrophobicContact CB-CB 3.9Å; F3-L208 WeakPolarHBondContact CB-O 3.22Å; F3-L208 WeakPolarHBondContact O-CD1 3.3Å; L14-L208 HydrophobicContact CD1-CD2 3.43Å; L14-L208 VanDerWaalsContact CD1-CD2 3.43Å; Y114-L208 HydrophobicContact CE2-CD2 4.08Å; L204-L208 HydrophobicContact CD1-CD1 4.23Å; L204-L208 HydrophobicContact CD1-CG 4.15Å; L204-L208 HydrophobicContact CG-CD1 4.09Å; L204-L208 HydrophobicContact CG-CG 4.42Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 2.96Å; L204-L208 VanDerWaalsContact O-N 3.08Å; P205-L208 PolarHBondContact O-N 3.24Å; P205-L208 VanDerWaalsContact O-N 3.17Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L208-S210 VanDerWaalsContact C-N 3.34Å; L208-L211 WeakPolarHBondContact O-CB 3.31Å; L208-L211 PolarHBondContact O-N 3.02Å; L208-Q212 PolarHBondContact O-N 3.16Å |
| 209 | D | 97.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 175.5 | -68.8 | -24.5 | 0 | 0 | 0 | 111.6 | G4 P205 L211 Q212 K213 | G4-D209 VanDerWaalsContact CA-OD1 3.26Å; G4-D209 WeakPolarHBondContact CA-OD1 2.87Å; G4-D209 PolarHBondContact N-OD1 3.03Å; P205-D209 PolarHBondContact O-N 3.48Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3Å; D209-Q212 PolarHBondContact O-N 3.48Å; D209-K213 WeakPolarHBondContact O-CB 3.45Å; D209-K213 PolarHBondContact O-N 3.48Å |
| 210 | S | 96.9 | Very high | 96.8 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 172.1 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | L206 L207 L208 M214 | L206-S210 VanDerWaalsContact O-CB 3.31Å; L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 3.32Å; L207-S210 PolarHBondContact O-N 2.92Å; L208-S210 VanDerWaalsContact C-N 3.34Å; S210-M214 WeakPolarHBondContact O-CG 3.32Å; S210-M214 PolarHBondContact O-N 3.4Å; S210-M214 VanDerWaalsContact O-N 3.17Å |
| 211 | L | 97.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 174.4 | 177 | 64.4 | 0 | 0 | 0 | 110.6 | F3 L14 V110 Y114 L207 L208 D209 K213 M214 Q215 | F3-L211 HydrophobicContact CD2-CD2 4.45Å; F3-L211 HydrophobicContact CD2-CG 4.5Å; F3-L211 HydrophobicContact CE2-CD2 4.49Å; F3-L211 HydrophobicContact CE2-CG 4.49Å; L14-L211 HydrophobicContact CB-CD2 4.48Å; L14-L211 HydrophobicContact CD1-CD2 4.47Å; L14-L211 HydrophobicContact CD2-CD2 4.44Å; V110-L211 HydrophobicContact CG1-CD1 4.07Å; Y114-L211 HydrophobicContact CD1-CD2 4.27Å; Y114-L211 HydrophobicContact CD2-CB 4.26Å; Y114-L211 HydrophobicContact CD2-CD1 4.5Å; Y114-L211 HydrophobicContact CD2-CD2 3.81Å; Y114-L211 HydrophobicContact CD2-CG 4.41Å; Y114-L211 HydrophobicContact CE1-CD2 4.22Å; Y114-L211 HydrophobicContact CE2-CD2 3.77Å; Y114-L211 HydrophobicContact CG-CD1 4.39Å; Y114-L211 HydrophobicContact CG-CD2 4.06Å; L207-L211 PolarHBondContact O-N 3.48Å; L208-L211 WeakPolarHBondContact O-CB 3.31Å; L208-L211 PolarHBondContact O-N 3.02Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3Å; L211-K213 PolarHBondContact O-N 3.03Å; L211-M214 PolarHBondContact O-N 3.3Å; L211-Q215 HydrophobicContact CD1-CG 4.38Å; L211-Q215 WeakPolarHBondContact O-CG 3.37Å; L211-Q215 PolarHBondContact O-N 3.47Å |
| 212 | Q | 97.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -50.7 | 178.1 | -177.1 | 178.5 | -13.3 | 0 | 0 | 111.4 | F3 L208 D209 M214 Q215 E216 | F3-Q212 HydrophobicContact CB-CB 4.14Å; F3-Q212 HydrophobicContact CD1-CB 4.28Å; F3-Q212 HydrophobicContact CD1-CG 4.27Å; F3-Q212 HydrophobicContact CD2-CB 3.67Å; F3-Q212 HydrophobicContact CD2-CG 4.4Å; F3-Q212 HydrophobicContact CE1-CG 4.44Å; F3-Q212 HydrophobicContact CE2-CB 4.11Å; F3-Q212 HydrophobicContact CG-CB 3.77Å; F3-Q212 HydrophobicContact CG-CG 4.26Å; L208-Q212 PolarHBondContact O-N 3.16Å; D209-Q212 PolarHBondContact O-N 3.48Å; Q212-M214 VanDerWaalsContact C-N 3.28Å; Q212-M214 PolarHBondContact O-N 2.82Å; Q212-Q215 WeakPolarHBondContact O-CB 3.42Å; Q212-Q215 PolarHBondContact O-N 2.98Å; Q212-E216 HydrophobicContact CG-CG 4.43Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.33Å; Q212-E216 PolarHBondContact NE2-OE1 3.38Å; Q212-E216 WeakPolarHBondContact O-CG 3.34Å; Q212-E216 PolarHBondContact O-N 3.48Å |
| 213 | K | 97 | Very high | 97.3 | Very high | 138 Ų | 138 | 62.9 Ų | 62.9 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.4 | -43.3 | 179.1 | -175.4 | 177.2 | -179.4 | 178.9 | 0 | 112 | D209 L211 E216 E217 | D209-K213 WeakPolarHBondContact O-CB 3.45Å; D209-K213 PolarHBondContact O-N 3.48Å; L211-K213 PolarHBondContact O-N 3.03Å; K213-E216 PolarHBondContact O-N 3.43Å; K213-E217 WeakPolarHBondContact O-CG 3.36Å; K213-E217 PolarHBondContact O-N 2.95Å |
| 214 | M | 96.8 | Very high | 97.4 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.7 | -74.5 | -58.4 | -58.4 | 0 | 0 | 112.1 | V110 S210 L211 Q212 E217 M218 | V110-M214 HydrophobicContact CG1-CB 4.47Å; V110-M214 HydrophobicContact CG2-CE 4.05Å; S210-M214 WeakPolarHBondContact O-CG 3.32Å; S210-M214 PolarHBondContact O-N 3.4Å; S210-M214 VanDerWaalsContact O-N 3.17Å; L211-M214 PolarHBondContact O-N 3.3Å; Q212-M214 VanDerWaalsContact C-N 3.28Å; Q212-M214 PolarHBondContact O-N 2.82Å; M214-E217 PolarHBondContact O-N 3.01Å; M214-M218 VanDerWaalsContact O-CG 3.24Å; M214-M218 WeakPolarHBondContact O-CG 3.48Å; M214-M218 PolarHBondContact O-N 3.43Å |
| 215 | Q | 96 | Very high | 97.4 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.5 | -67.4 | -172.4 | 13.8 | 0 | 0 | 112 | L211 Q212 M218 I219 | L211-Q215 HydrophobicContact CD1-CG 4.38Å; L211-Q215 WeakPolarHBondContact O-CG 3.37Å; L211-Q215 PolarHBondContact O-N 3.47Å; Q212-Q215 WeakPolarHBondContact O-CB 3.42Å; Q212-Q215 PolarHBondContact O-N 2.98Å; Q215-M218 PolarHBondContact O-N 2.77Å; Q215-I219 WeakPolarHBondContact O-CG1 3.48Å; Q215-I219 PolarHBondContact O-N 2.83Å |
| 216 | E | 97 | Very high | 97.5 | Very high | 106 Ų | 106 | 65 Ų | 65 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 177.4 | -70.3 | 171.9 | 177.9 | 0 | 0 | 112.2 | Q212 K213 M218 I219 K220 | Q212-E216 HydrophobicContact CG-CG 4.43Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.33Å; Q212-E216 PolarHBondContact NE2-OE1 3.38Å; Q212-E216 WeakPolarHBondContact O-CG 3.34Å; Q212-E216 PolarHBondContact O-N 3.48Å; K213-E216 PolarHBondContact O-N 3.43Å; E216-M218 VanDerWaalsContact C-N 3.34Å; E216-M218 PolarHBondContact O-N 2.87Å; E216-I219 PolarHBondContact O-N 3.27Å; E216-K220 PolarHBondContact O-N 3.03Å |
| 217 | E | 97.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 174.3 | -71.5 | -66.4 | 172.7 | 0 | 0 | 112.1 | K213 M214 K220 A221 | K213-E217 WeakPolarHBondContact O-CG 3.36Å; K213-E217 PolarHBondContact O-N 2.95Å; M214-E217 PolarHBondContact O-N 3.01Å; E217-K220 WeakPolarHBondContact O-CB 3.24Å; E217-K220 PolarHBondContact O-N 3.34Å; E217-A221 PolarHBondContact O-N 3.3Å |
| 218 | M | 97.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 175.5 | -66.3 | -174 | 89.4 | 0 | 0 | 112.5 | M103 D106 K107 M214 Q215 E216 K220 A221 L222 | M103-M218 HydrophobicContact CG-CE 3.58Å; M103-M218 VanDerWaalsContact O-CE 3.29Å; M103-M218 WeakPolarHBondContact O-CE 3.3Å; D106-M218 HydrophobicContact CB-CE 4.33Å; K107-M218 HydrophobicContact CB-CE 3.52Å; K107-M218 HydrophobicContact CB-SD 4.28Å; K107-M218 HydrophobicContact CD-CE 3.89Å; K107-M218 HydrophobicContact CD-SD 3.53Å; K107-M218 VanDerWaalsContact CD-SD 3.53Å; K107-M218 HydrophobicContact CG-CE 4.28Å; M214-M218 VanDerWaalsContact O-CG 3.24Å; M214-M218 WeakPolarHBondContact O-CG 3.48Å; M214-M218 PolarHBondContact O-N 3.43Å; Q215-M218 PolarHBondContact O-N 2.77Å; E216-M218 VanDerWaalsContact C-N 3.34Å; E216-M218 PolarHBondContact O-N 2.87Å; M218-K220 VanDerWaalsContact C-N 3.33Å; M218-A221 PolarHBondContact O-N 2.93Å; M218-L222 WeakPolarHBondContact O-CB 3.32Å; M218-L222 PolarHBondContact O-N 3.14Å |
| 219 | I | 97.3 | Very high | 97.5 | Very high | 100 Ų | 100 | 66 Ų | 66 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 173.2 | -70.3 | 165.4 | 0 | 0 | 0 | 110.3 | Q215 E216 A221 L222 K223 | Q215-I219 WeakPolarHBondContact O-CG1 3.48Å; Q215-I219 PolarHBondContact O-N 2.83Å; E216-I219 PolarHBondContact O-N 3.27Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.35Å; I219-L222 PolarHBondContact O-N 3.27Å; I219-K223 PolarHBondContact O-N 2.75Å |
| 220 | K | 97.6 | Very high | 97.5 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 175.1 | -174 | -179.2 | 176.7 | -174.3 | 0 | 111.8 | E216 E217 M218 K223 G224 | E216-K220 PolarHBondContact O-N 3.03Å; E217-K220 WeakPolarHBondContact O-CB 3.24Å; E217-K220 PolarHBondContact O-N 3.34Å; M218-K220 VanDerWaalsContact C-N 3.33Å; K220-K223 WeakPolarHBondContact O-CB 3.1Å; K220-K223 PolarHBondContact O-N 3.3Å; K220-G224 PolarHBondContact O-N 2.63Å |
| 221 | A | 97.4 | Very high | 97.5 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M103 E217 M218 I219 K223 G224 I225 | M103-A221 HydrophobicContact SD-CB 4.06Å; E217-A221 PolarHBondContact O-N 3.3Å; M218-A221 PolarHBondContact O-N 2.93Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.35Å; A221-K223 VanDerWaalsContact C-N 3.31Å; A221-K223 PolarHBondContact O-N 3.12Å; A221-G224 PolarHBondContact O-N 3.2Å; A221-I225 WeakPolarHBondContact O-CG1 3.39Å; A221-I225 PolarHBondContact O-N 2.88Å |
| 222 | L | 98.1 | Very high | 97.5 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 175.4 | 178.5 | 60.4 | 0 | 0 | 0 | 111.7 | L25 L100 M103 M218 I219 G224 I225 L226 | L25-L222 HydrophobicContact CD2-CD1 3.95Å; L25-L222 HydrophobicContact CD2-CD2 3.89Å; L25-L222 HydrophobicContact CD2-CG 4.44Å; L100-L222 HydrophobicContact CD1-CD1 4.31Å; M103-L222 HydrophobicContact CE-CB 3.98Å; M103-L222 HydrophobicContact CE-CD1 3.94Å; M103-L222 HydrophobicContact CE-CG 4.46Å; M103-L222 HydrophobicContact SD-CB 4.28Å; M218-L222 WeakPolarHBondContact O-CB 3.32Å; M218-L222 PolarHBondContact O-N 3.14Å; I219-L222 PolarHBondContact O-N 3.27Å; L222-G224 PolarHBondContact O-N 2.62Å; L222-I225 WeakPolarHBondContact O-CB 3.28Å; L222-I225 PolarHBondContact O-N 2.96Å; L222-L226 HydrophobicContact CD1-CD1 4.29Å; L222-L226 HydrophobicContact CD1-CG 4.2Å; L222-L226 HydrophobicContact CG-CD1 4.12Å; L222-L226 HydrophobicContact CG-CG 4.45Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 3.41Å |
| 223 | K | 98.3 | Very high | 97.4 | Very high | 137 Ų | 137 | 69.6 Ų | 69.6 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.1 | -48.9 | 174.8 | -177.5 | -177.7 | 174.6 | -176.7 | 0 | 111.2 | I219 K220 A221 I225 L226 D227 | I219-K223 PolarHBondContact O-N 2.75Å; K220-K223 WeakPolarHBondContact O-CB 3.1Å; K220-K223 PolarHBondContact O-N 3.3Å; A221-K223 VanDerWaalsContact C-N 3.31Å; A221-K223 PolarHBondContact O-N 3.12Å; K223-I225 VanDerWaalsContact C-N 3.31Å; K223-I225 PolarHBondContact O-N 3.06Å; K223-L226 PolarHBondContact O-N 3.46Å; K223-L226 VanDerWaalsContact O-N 3.11Å; K223-D227 PolarHBondContact O-N 2.98Å |
| 224 | G | 98.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K220 A221 L222 L226 D227 E228 | K220-G224 PolarHBondContact O-N 2.63Å; A221-G224 PolarHBondContact O-N 3.2Å; L222-G224 PolarHBondContact O-N 2.62Å; G224-L226 VanDerWaalsContact C-N 3.35Å; G224-D227 PolarHBondContact O-N 3.25Å; G224-E228 WeakPolarHBondContact O-CB 3.44Å; G224-E228 PolarHBondContact O-N 3.38Å |
| 225 | I | 98.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.046 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.7 | -69.7 | 167.5 | 0 | 0 | 0 | 111.3 | M32 P96 R99 L100 M103 A221 L222 K223 Y229 | M32-I225 HydrophobicContact CE-CG2 3.98Å; P96-I225 HydrophobicContact CB-CG2 4Å; R99-I225 HydrophobicContact CB-CD1 3.94Å; R99-I225 HydrophobicContact CB-CG1 4.02Å; L100-I225 HydrophobicContact CB-CD1 4.36Å; L100-I225 HydrophobicContact CB-CG2 4.33Å; M103-I225 HydrophobicContact CE-CD1 4.16Å; M103-I225 HydrophobicContact SD-CD1 4.3Å; A221-I225 WeakPolarHBondContact O-CG1 3.39Å; A221-I225 PolarHBondContact O-N 2.88Å; L222-I225 WeakPolarHBondContact O-CB 3.28Å; L222-I225 PolarHBondContact O-N 2.96Å; K223-I225 VanDerWaalsContact C-N 3.31Å; K223-I225 PolarHBondContact O-N 3.06Å; I225-Y229 WeakPolarHBondContact O-CB 3.44Å; I225-Y229 PolarHBondContact O-N 2.99Å |
| 226 | L | 98.1 | Very high | 97.1 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.2 | -35.3 | 179.2 | -69 | 174.7 | 0 | 0 | 0 | 112.5 | V28 M32 L222 K223 G224 Y229 S230 | V28-L226 HydrophobicContact CG1-CD2 4.27Å; M32-L226 HydrophobicContact CE-CD2 3.89Å; L222-L226 HydrophobicContact CD1-CD1 4.29Å; L222-L226 HydrophobicContact CD1-CG 4.2Å; L222-L226 HydrophobicContact CG-CD1 4.12Å; L222-L226 HydrophobicContact CG-CG 4.45Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 3.41Å; K223-L226 PolarHBondContact O-N 3.46Å; K223-L226 VanDerWaalsContact O-N 3.11Å; G224-L226 VanDerWaalsContact C-N 3.35Å; L226-Y229 WeakPolarHBondContact O-CB 3.39Å; L226-Y229 PolarHBondContact O-N 2.82Å; L226-S230 PolarHBondContact O-N 2.95Å |
| 227 | D | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 67 Ų | 67 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 174.6 | -70.6 | -22.3 | 0 | 0 | 0 | 110.3 | K223 G224 Y229 S230 Q231 | K223-D227 PolarHBondContact O-N 2.98Å; G224-D227 PolarHBondContact O-N 3.25Å; D227-Y229 PolarHBondContact O-N 3.36Å; D227-S230 PolarHBondContact O-N 3Å; D227-Q231 WeakPolarHBondContact O-CG 3.35Å; D227-Q231 PolarHBondContact O-N 2.98Å; D227-Q231 VanDerWaalsContact O-N 3.07Å |
| 228 | E | 97.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.7 | -169.7 | -175.8 | -169.2 | 0 | 0 | 111.7 | P96 R99 G224 S230 Q231 I232 | P96-E228 HydrophobicContact CG-CB 4.01Å; P96-E228 HydrophobicContact CG-CG 3.71Å; R99-E228 IonicContact CZ-OE1 3.64Å; R99-E228 IonicContact CZ-OE2 2.75Å; R99-E228 IonicContact NH1-OE1 2.98Å; R99-E228 PolarHBondContact NH1-OE1 3.4Å; R99-E228 IonicContact NH1-OE2 3.01Å; R99-E228 PolarHBondContact NH1-OE2 3.43Å; R99-E228 IonicContact NH2-OE1 3.75Å; G224-E228 WeakPolarHBondContact O-CB 3.44Å; G224-E228 PolarHBondContact O-N 3.38Å; E228-S230 VanDerWaalsContact C-N 3.33Å; E228-S230 PolarHBondContact O-N 2.7Å; E228-Q231 PolarHBondContact O-N 3.39Å; E228-I232 HydrophobicContact CG-CD1 3.9Å; E228-I232 WeakPolarHBondContact O-CG1 3.3Å; E228-I232 PolarHBondContact O-N 2.78Å |
| 229 | Y | 98.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 74.1 Ų | 74.1 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55 | -47.3 | 171.8 | 167.8 | -90.6 | 0 | 0 | 0 | 112 | F31 M32 R35 L92 I225 L226 D227 Q231 T233 | F31-Y229 AromaticContact CE1-CZ 3.92Å; F31-Y229 VanDerWaalsContact CE1-OH 3.29Å; F31-Y229 WeakPolarHBondContact CE1-OH 3.19Å; M32-Y229 HydrophobicContact CE-CD2 3.77Å; M32-Y229 HydrophobicContact CE-CG 3.82Å; M32-Y229 HydrophobicContact CG-CD2 3.93Å; M32-Y229 HydrophobicContact CG-CE2 4.1Å; M32-Y229 HydrophobicContact SD-CD2 4.3Å; R35-Y229 HydrophobicContact CB-CE2 4.33Å; R35-Y229 HydrophobicContact CG-CE2 4.13Å; L92-Y229 HydrophobicContact CD1-CD2 3.57Å; L92-Y229 HydrophobicContact CD1-CE2 4.23Å; L92-Y229 HydrophobicContact CD2-CD2 4.3Å; L92-Y229 HydrophobicContact CD2-CE2 4.14Å; I225-Y229 WeakPolarHBondContact O-CB 3.44Å; I225-Y229 PolarHBondContact O-N 2.99Å; L226-Y229 WeakPolarHBondContact O-CB 3.39Å; L226-Y229 PolarHBondContact O-N 2.82Å; D227-Y229 PolarHBondContact O-N 3.36Å; Y229-Q231 VanDerWaalsContact C-N 3.29Å; Y229-Q231 PolarHBondContact O-N 3.34Å; Y229-T233 HydrophobicContact CD2-CG2 3.93Å; Y229-T233 HydrophobicContact CE2-CG2 3.64Å; Y229-T233 WeakPolarHBondContact O-CB 3.44Å; Y229-T233 WeakPolarHBondContact O-CG2 3.23Å; Y229-T233 PolarHBondContact O-N 3.32Å; Y229-T233 PolarHBondContact O-OG1 3.42Å |
| 230 | S | 97 | Very high | 96.7 | Very high | 78 Ų | 78 | 69.6 Ų | 69.6 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | -178.1 | -173 | 0 | 0 | 0 | 0 | 112.2 | L226 D227 E228 | L226-S230 PolarHBondContact O-N 2.95Å; D227-S230 PolarHBondContact O-N 3Å; E228-S230 VanDerWaalsContact C-N 3.33Å; E228-S230 PolarHBondContact O-N 2.7Å |
| 231 | Q | 96.4 | Very high | 96.7 | Very high | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.4 | -51 | 177.7 | -70.8 | 173 | 4.4 | 0 | 0 | 111.2 | D227 E228 Y229 T233 S234 | D227-Q231 WeakPolarHBondContact O-CG 3.35Å; D227-Q231 PolarHBondContact O-N 2.98Å; D227-Q231 VanDerWaalsContact O-N 3.07Å; E228-Q231 PolarHBondContact O-N 3.39Å; Y229-Q231 VanDerWaalsContact C-N 3.29Å; Y229-Q231 PolarHBondContact O-N 3.34Å; Q231-T233 PolarHBondContact O-N 3.09Å; Q231-S234 PolarHBondContact O-N 3.37Å |
| 232 | I | 96.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.138 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | -178.5 | -65.3 | 168 | 0 | 0 | 0 | 111.3 | H88 D91 L92 P96 E228 S234 | H88-I232 HydrophobicContact CB-CG2 4.17Å; H88-I232 PolarHBondContact CE1-O 3.24Å; H88-I232 VanDerWaalsContact CE1-O 3.24Å; H88-I232 VanDerWaalsContact CG-O 3.29Å; H88-I232 PolarHBondContact ND1-O 3.4Å; H88-I232 WeakPolarHBondContact O-CG2 3.49Å; D91-I232 HydrophobicContact CB-CD1 4.14Å; D91-I232 HydrophobicContact CB-CG2 4.15Å; L92-I232 HydrophobicContact CB-CG2 4.13Å; P96-I232 HydrophobicContact CG-CD1 3.92Å; E228-I232 HydrophobicContact CG-CD1 3.9Å; E228-I232 WeakPolarHBondContact O-CG1 3.3Å; E228-I232 PolarHBondContact O-N 2.78Å; I232-S234 VanDerWaalsContact C-N 3.3Å; I232-S234 PolarHBondContact O-N 3.03Å |
| 233 | T | 95.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.8 | -172.8 | 62.8 | 0 | 0 | 0 | 0 | 114.6 | R35 L92 Y229 Q231 | R35-T233 HydrophobicContact CG-CG2 3.98Å; R35-T233 PolarHBondContact NH2-O 3.16Å; L92-T233 HydrophobicContact CD2-CG2 3.81Å; Y229-T233 HydrophobicContact CD2-CG2 3.93Å; Y229-T233 HydrophobicContact CE2-CG2 3.64Å; Y229-T233 WeakPolarHBondContact O-CB 3.44Å; Y229-T233 WeakPolarHBondContact O-CG2 3.23Å; Y229-T233 PolarHBondContact O-N 3.32Å; Y229-T233 PolarHBondContact O-OG1 3.42Å; Q231-T233 PolarHBondContact O-N 3.09Å |
| 234 | S | 96.1 | Very high | 96.5 | Very high | 35 Ų | 35 | 63 Ų | 63 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | trans | -67.8 | 132.2 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | Q231 I232 V236 | Q231-S234 PolarHBondContact O-N 3.37Å; I232-S234 VanDerWaalsContact C-N 3.3Å; I232-S234 PolarHBondContact O-N 3.03Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 VanDerWaalsContact OG-CG2 3.26Å; S234-V236 WeakPolarHBondContact OG-CG2 3.47Å; S234-V236 PolarHBondContact OG-N 3.31Å | ||
| 235 | L | 94.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -92.4 | 4.4 | 173.6 | -59.1 | -179.1 | 0 | 0 | 0 | 112.6 | M85 I240 | M85-L235 HydrophobicContact CE-CD2 4Å; M85-L235 HydrophobicContact SD-CD2 3.74Å; L235-I240 HydrophobicContact CD2-CD1 4.37Å; L235-I240 VanDerWaalsContact O-CG2 3.28Å; L235-I240 WeakPolarHBondContact O-CG2 3.49Å |
| 236 | V | 93.6 | Very high | 96.4 | Very high | 116 Ų | 116 | 70.5 Ų | 70.5 | 70% | 0.703 | 36% | 0.363 | S | S | * | . | trans | -119.5 | 29.7 | -179.8 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | S234 | S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 VanDerWaalsContact OG-CG2 3.26Å; S234-V236 WeakPolarHBondContact OG-CG2 3.47Å; S234-V236 PolarHBondContact OG-N 3.31Å | ||
| 237 | T | 94.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 68.6 Ų | 68.6 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | trans | -65.7 | 154.7 | 169 | 57.8 | 0 | 0 | 0 | 0 | 110 | E239 I240 V241 | T237-E239 PolarHBondContact O-N 3.05Å; T237-I240 PolarHBondContact O-N 3.22Å; T237-I240 VanDerWaalsContact O-N 3.17Å; T237-I240 WeakPolarHBondContact OG1-CG1 3.37Å; T237-V241 WeakPolarHBondContact O-CG2 3.42Å; T237-V241 PolarHBondContact O-N 2.6Å | ||
| 238 | E | 94.9 | Very high | 96.1 | Very high | 154 Ų | 154 | 70.1 Ų | 70.1 | 72% | 0.72 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -55.6 | -39.4 | 178.9 | -172.5 | 175.2 | -179.2 | 0 | 0 | 111.9 | V241 N242 | E238-V241 PolarHBondContact O-N 2.76Å; E238-N242 WeakPolarHBondContact O-CB 3.4Å; E238-N242 PolarHBondContact O-N 3.01Å; E238-N242 PolarHBondContact O-ND2 2.89Å |
| 239 | E | 95.1 | Very high | 95.9 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61 | -47.3 | 177 | -60.3 | -176.9 | 160.9 | 0 | 0 | 112.6 | I84 T237 N242 V243 | I84-E239 HydrophobicContact CD1-CB 4.04Å; T237-E239 PolarHBondContact O-N 3.05Å; E239-N242 PolarHBondContact O-N 3.08Å; E239-V243 WeakPolarHBondContact O-CG2 3.33Å; E239-V243 PolarHBondContact O-N 3.38Å; E239-V243 VanDerWaalsContact O-N 3.11Å |
| 240 | I | 96.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 179.2 | -66.1 | 174 | 0 | 0 | 0 | 110.8 | L81 I84 M85 L235 T237 N242 V243 H244 | L81-I240 HydrophobicContact CD1-CB 4.46Å; L81-I240 HydrophobicContact CD1-CD1 4.48Å; L81-I240 HydrophobicContact CD1-CG1 3.99Å; L81-I240 HydrophobicContact CD1-CG2 3.94Å; I84-I240 HydrophobicContact CG2-CD1 4.22Å; I84-I240 HydrophobicContact CG2-CG1 3.88Å; M85-I240 HydrophobicContact SD-CD1 4.4Å; L235-I240 HydrophobicContact CD2-CD1 4.37Å; L235-I240 VanDerWaalsContact O-CG2 3.28Å; L235-I240 WeakPolarHBondContact O-CG2 3.49Å; T237-I240 PolarHBondContact O-N 3.22Å; T237-I240 VanDerWaalsContact O-N 3.17Å; T237-I240 WeakPolarHBondContact OG1-CG1 3.37Å; I240-N242 VanDerWaalsContact C-N 3.33Å; I240-V243 PolarHBondContact O-N 2.92Å; I240-H244 PolarHBondContact O-N 3Å; I240-H244 PolarHBondContact O-ND1 2.93Å |
| 241 | V | 96.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | T237 E238 V243 H244 K245 | T237-V241 WeakPolarHBondContact O-CG2 3.42Å; T237-V241 PolarHBondContact O-N 2.6Å; E238-V241 PolarHBondContact O-N 2.76Å; V241-V243 PolarHBondContact O-N 3.42Å; V241-H244 PolarHBondContact O-N 3.15Å; V241-K245 HydrophobicContact CG1-CD 4.21Å; V241-K245 HydrophobicContact CG1-CG 4.43Å; V241-K245 WeakPolarHBondContact O-CG 3.41Å; V241-K245 PolarHBondContact O-N 3.12Å |
| 242 | N | 96.9 | Very high | 95.3 | Very high | 67 Ų | 67 | 68.1 Ų | 68.1 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 177.9 | -71.6 | -16.5 | 0 | 0 | 0 | 111.6 | E238 E239 I240 H244 K245 E246 | E238-N242 WeakPolarHBondContact O-CB 3.4Å; E238-N242 PolarHBondContact O-N 3.01Å; E238-N242 PolarHBondContact O-ND2 2.89Å; E239-N242 PolarHBondContact O-N 3.08Å; I240-N242 VanDerWaalsContact C-N 3.33Å; N242-H244 VanDerWaalsContact C-N 3.32Å; N242-H244 PolarHBondContact O-N 3.18Å; N242-K245 WeakPolarHBondContact O-CB 3.4Å; N242-K245 PolarHBondContact O-N 2.67Å; N242-K245 VanDerWaalsContact O-N 3.16Å; N242-E246 WeakPolarHBondContact O-CG 3.38Å; N242-E246 PolarHBondContact O-N 3.44Å |
| 243 | V | 97.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | Q77 Q80 L81 I84 E239 I240 V241 K245 E246 I247 | Q77-V243 HydrophobicContact CB-CG1 4.13Å; Q77-V243 VanDerWaalsContact O-CG1 3.23Å; Q77-V243 WeakPolarHBondContact O-CG1 3.47Å; Q80-V243 HydrophobicContact CB-CG2 4.35Å; Q80-V243 HydrophobicContact CG-CG2 3.96Å; L81-V243 HydrophobicContact CB-CG1 4.12Å; I84-V243 HydrophobicContact CD1-CG2 3.91Å; E239-V243 WeakPolarHBondContact O-CG2 3.33Å; E239-V243 PolarHBondContact O-N 3.38Å; E239-V243 VanDerWaalsContact O-N 3.11Å; I240-V243 PolarHBondContact O-N 2.92Å; V241-V243 PolarHBondContact O-N 3.42Å; V243-K245 PolarHBondContact O-N 2.82Å; V243-E246 PolarHBondContact O-N 2.83Å; V243-I247 HydrophobicContact CG1-CD1 4.18Å; V243-I247 WeakPolarHBondContact O-CG1 3.45Å; V243-I247 PolarHBondContact O-N 3.31Å; V243-I247 VanDerWaalsContact O-N 3.09Å |
| 244 | H | 96.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 75.1 Ų | 75.1 | 47% | 0.468 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.7 | -32.1 | 179.4 | -71.5 | 81.7 | 0 | 0 | 0 | 112.8 | I240 V241 N242 I247 Q248 | I240-H244 PolarHBondContact O-N 3Å; I240-H244 PolarHBondContact O-ND1 2.93Å; V241-H244 PolarHBondContact O-N 3.15Å; N242-H244 VanDerWaalsContact C-N 3.32Å; N242-H244 PolarHBondContact O-N 3.18Å; H244-I247 PolarHBondContact O-N 2.92Å; H244-Q248 WeakPolarHBondContact O-CB 3.12Å; H244-Q248 PolarHBondContact O-N 3.41Å |
| 245 | K | 96.6 | Very high | 94.5 | Very high | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 173 | -75.9 | 176.6 | 178.1 | 173.8 | 0 | 112.1 | V241 N242 V243 Q248 T249 | V241-K245 HydrophobicContact CG1-CD 4.21Å; V241-K245 HydrophobicContact CG1-CG 4.43Å; V241-K245 WeakPolarHBondContact O-CG 3.41Å; V241-K245 PolarHBondContact O-N 3.12Å; N242-K245 WeakPolarHBondContact O-CB 3.4Å; N242-K245 PolarHBondContact O-N 2.67Å; N242-K245 VanDerWaalsContact O-N 3.16Å; V243-K245 PolarHBondContact O-N 2.82Å; K245-Q248 PolarHBondContact O-N 2.7Å; K245-T249 WeakPolarHBondContact O-CB 3.47Å; K245-T249 PolarHBondContact O-N 2.93Å; K245-T249 PolarHBondContact O-OG1 2.84Å |
| 246 | E | 96.5 | Very high | 94.3 | Very high | 91 Ų | 91 | 76.5 Ų | 76.5 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176.3 | -69.9 | -60.5 | 144.8 | 0 | 0 | 111.2 | Q77 N242 V243 Q248 T249 S250 | Q77-E246 HydrophobicContact CG-CB 3.8Å; N242-E246 WeakPolarHBondContact O-CG 3.38Å; N242-E246 PolarHBondContact O-N 3.44Å; V243-E246 PolarHBondContact O-N 2.83Å; E246-Q248 PolarHBondContact O-N 3.27Å; E246-T249 PolarHBondContact O-N 2.86Å; E246-S250 WeakPolarHBondContact O-CB 3.44Å; E246-S250 PolarHBondContact O-N 2.7Å |
| 247 | I | 95.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 172.3 | -69.9 | 170.6 | 0 | 0 | 0 | 110.5 | M74 Q77 V243 H244 T249 S250 V251 | M74-I247 HydrophobicContact CE-CG2 4.06Å; M74-I247 HydrophobicContact CG-CG2 4.2Å; Q77-I247 HydrophobicContact CB-CD1 4.01Å; Q77-I247 HydrophobicContact CB-CG1 3.54Å; Q77-I247 HydrophobicContact CG-CG1 4.26Å; V243-I247 HydrophobicContact CG1-CD1 4.18Å; V243-I247 WeakPolarHBondContact O-CG1 3.45Å; V243-I247 PolarHBondContact O-N 3.31Å; V243-I247 VanDerWaalsContact O-N 3.09Å; H244-I247 PolarHBondContact O-N 2.92Å; I247-T249 PolarHBondContact O-N 3.29Å; I247-S250 PolarHBondContact O-N 3.13Å; I247-S250 PolarHBondContact O-OG 3Å; I247-V251 WeakPolarHBondContact O-CG2 3.47Å; I247-V251 PolarHBondContact O-N 3.36Å |
| 248 | Q | 95.4 | Very high | 94 | Very high | 113 Ų | 113 | 77.5 Ų | 77.5 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 178.9 | -179.7 | 179.6 | -8.9 | 0 | 0 | 111.9 | H244 K245 E246 S250 V251 E252 | H244-Q248 WeakPolarHBondContact O-CB 3.12Å; H244-Q248 PolarHBondContact O-N 3.41Å; K245-Q248 PolarHBondContact O-N 2.7Å; E246-Q248 PolarHBondContact O-N 3.27Å; Q248-S250 VanDerWaalsContact C-N 3.27Å; Q248-S250 PolarHBondContact O-N 2.69Å; Q248-V251 PolarHBondContact O-N 3.31Å; Q248-V251 VanDerWaalsContact O-N 3.1Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.37Å; Q248-E252 PolarHBondContact NE2-OE1 2.89Å; Q248-E252 WeakPolarHBondContact O-CG 3.49Å; Q248-E252 PolarHBondContact O-N 3.44Å |
| 249 | T | 94.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 111 | K245 E246 I247 V251 E252 Q253 | K245-T249 WeakPolarHBondContact O-CB 3.47Å; K245-T249 PolarHBondContact O-N 2.93Å; K245-T249 PolarHBondContact O-OG1 2.84Å; E246-T249 PolarHBondContact O-N 2.86Å; I247-T249 PolarHBondContact O-N 3.29Å; T249-V251 VanDerWaalsContact C-N 3.31Å; T249-V251 PolarHBondContact O-N 2.95Å; T249-E252 PolarHBondContact O-N 3.37Å; T249-Q253 WeakPolarHBondContact O-CG 3.36Å; T249-Q253 PolarHBondContact O-N 3.45Å |
| 250 | S | 93.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 177.2 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | S70 M74 E246 I247 Q248 | S70-S250 VanDerWaalsContact CB-O 3.23Å; S70-S250 WeakPolarHBondContact CB-O 3.47Å; S70-S250 PolarHBondContact OG-O 3.36Å; M74-S250 VanDerWaalsContact CG-OG 3.26Å; M74-S250 WeakPolarHBondContact CG-OG 3.41Å; E246-S250 WeakPolarHBondContact O-CB 3.44Å; E246-S250 PolarHBondContact O-N 2.7Å; I247-S250 PolarHBondContact O-N 3.13Å; I247-S250 PolarHBondContact O-OG 3Å; Q248-S250 VanDerWaalsContact C-N 3.27Å; Q248-S250 PolarHBondContact O-N 2.69Å |
| 251 | V | 92.5 | Very high | 93 | Very high | 70 Ų | 70 | 76.3 Ų | 76.3 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.7 | -38.2 | 177 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | M74 I247 Q248 T249 Q253 I254 | M74-V251 HydrophobicContact CE-CG2 4.24Å; M74-V251 HydrophobicContact CG-CG2 4.48Å; M74-V251 HydrophobicContact SD-CG2 3.63Å; I247-V251 WeakPolarHBondContact O-CG2 3.47Å; I247-V251 PolarHBondContact O-N 3.36Å; Q248-V251 PolarHBondContact O-N 3.31Å; Q248-V251 VanDerWaalsContact O-N 3.1Å; T249-V251 VanDerWaalsContact C-N 3.31Å; T249-V251 PolarHBondContact O-N 2.95Å; V251-Q253 PolarHBondContact O-N 3.1Å; V251-I254 WeakPolarHBondContact O-CB 3.15Å; V251-I254 PolarHBondContact O-N 3.29Å |
| 252 | E | 92.8 | Very high | 92.4 | Very high | 133 Ų | 133 | 76.9 Ų | 76.9 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.8 | -23.1 | 178 | -71.4 | 174.7 | -176.3 | 0 | 0 | 113.2 | Q248 T249 I254 | Q248-E252 WeakPolarHBondContact CG-OE1 3.37Å; Q248-E252 PolarHBondContact NE2-OE1 2.89Å; Q248-E252 WeakPolarHBondContact O-CG 3.49Å; Q248-E252 PolarHBondContact O-N 3.44Å; T249-E252 PolarHBondContact O-N 3.37Å; E252-I254 VanDerWaalsContact C-N 3.27Å; E252-I254 PolarHBondContact O-N 2.91Å |
| 253 | Q | 88.3 | Confident | 91.9 | Very high | 129 Ų | 129 | 77.3 Ų | 77.3 | 60% | 0.603 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -9.9 | 175.3 | -73.3 | 173.7 | 6.1 | 0 | 0 | 114.1 | T249 V251 D255 | T249-Q253 WeakPolarHBondContact O-CG 3.36Å; T249-Q253 PolarHBondContact O-N 3.45Å; V251-Q253 PolarHBondContact O-N 3.1Å; Q253-D255 PolarHBondContact O-N 3.31Å; Q253-D255 VanDerWaalsContact O-N 3.16Å |
| 254 | I | 91.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 81.1 Ų | 81.1 | 29% | 0.292 | 41% | 0.406 | S | S | . | . | trans | -73.8 | 108 | 178 | -59.5 | 173.7 | 0 | 0 | 0 | 109 | V67 S70 V251 E252 P256 | V67-I254 HydrophobicContact CG2-CG2 3.79Å; S70-I254 WeakPolarHBondContact OG-CG1 3.37Å; V251-I254 WeakPolarHBondContact O-CB 3.15Å; V251-I254 PolarHBondContact O-N 3.29Å; E252-I254 VanDerWaalsContact C-N 3.27Å; E252-I254 PolarHBondContact O-N 2.91Å; I254-P256 WeakPolarHBondContact O-CD 3.47Å | ||
| 255 | D | 90.6 | Very high | 91 | Very high | 66 Ų | 66 | 83.2 Ų | 83.2 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | trans | -102.4 | 109.6 | 169.4 | 171.5 | 30.1 | 0 | 0 | 0 | 110.6 | Q253 N257 S258 | Q253-D255 PolarHBondContact O-N 3.31Å; Q253-D255 VanDerWaalsContact O-N 3.16Å; D255-N257 PolarHBondContact O-N 3.11Å; D255-N257 VanDerWaalsContact O-N 3.17Å; D255-N257 PolarHBondContact OD1-N 3.24Å; D255-N257 VanDerWaalsContact OD1-N 3.11Å; D255-N257 PolarHBondContact OD1-ND2 3.18Å; D255-N257 VanDerWaalsContact OD1-ND2 3.1Å; D255-S258 WeakPolarHBondContact CB-OG 3.29Å; D255-S258 PolarHBondContact O-N 2.97Å; D255-S258 PolarHBondContact O-OG 2.86Å; D255-S258 WeakPolarHBondContact OD2-CB 3.44Å; D255-S258 PolarHBondContact OD2-OG 3.48Å | ||
| 256 | P | 90.4 | Very high | 90.5 | Very high | 95 Ų | 95 | 81.7 Ų | 81.7 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.9 | -179.8 | -24.9 | 35 | 0 | 0 | 0 | 114.4 | I254 S258 | I254-P256 WeakPolarHBondContact O-CD 3.47Å; P256-S258 VanDerWaalsContact C-N 3.34Å |
| 257 | N | 91.3 | Very high | 89.9 | Confident | 142 Ų | 142 | 82 Ų | 82 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -19.9 | -174.6 | -56.3 | -65.7 | 0 | 0 | 0 | 113.1 | D255 | D255-N257 PolarHBondContact O-N 3.11Å; D255-N257 VanDerWaalsContact O-N 3.17Å; D255-N257 PolarHBondContact OD1-N 3.24Å; D255-N257 VanDerWaalsContact OD1-N 3.11Å; D255-N257 PolarHBondContact OD1-ND2 3.18Å; D255-N257 VanDerWaalsContact OD1-ND2 3.1Å |
| 258 | S | 89.5 | Confident | 89.5 | Confident | 28 Ų | 28 | 89.5 Ų | 89.5 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -2.8 | -179.1 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | D255 P256 Y260 N261 | D255-S258 WeakPolarHBondContact CB-OG 3.29Å; D255-S258 PolarHBondContact O-N 2.97Å; D255-S258 PolarHBondContact O-OG 2.86Å; D255-S258 WeakPolarHBondContact OD2-CB 3.44Å; D255-S258 PolarHBondContact OD2-OG 3.48Å; P256-S258 VanDerWaalsContact C-N 3.34Å; S258-Y260 PolarHBondContact O-N 3.05Å; S258-Y260 VanDerWaalsContact O-N 3.14Å; S258-N261 WeakPolarHBondContact O-CB 3.34Å; S258-N261 PolarHBondContact O-N 3.03Å; S258-N261 VanDerWaalsContact O-N 3.12Å |
| 259 | E | 89.3 | Confident | 88.9 | Confident | 27 Ų | 27 | 89.1 Ų | 89.1 | 13% | 0.126 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.5 | -175.2 | -179.5 | 60.9 | -168.4 | 0 | 0 | 113.9 | S65 N66 V67 | S65-E259 WeakPolarHBondContact CB-OE1 3.48Å; S65-E259 PolarHBondContact OG-OE1 3.35Å; N66-E259 WeakPolarHBondContact CB-OE2 3.37Å; N66-E259 PolarHBondContact N-OE2 3.05Å; N66-E259 VanDerWaalsContact N-OE2 3.14Å; V67-E259 PolarHBondContact N-OE2 2.95Å; V67-E259 VanDerWaalsContact N-OE2 3.1Å |
| 260 | Y | 88.2 | Confident | 88 | Confident | 149 Ų | 149 | 91.6 Ų | 91.6 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 2.1 | -177.1 | -58.8 | -71.6 | 0 | 0 | 0 | 114.1 | S258 F263 I264 | S258-Y260 PolarHBondContact O-N 3.05Å; S258-Y260 VanDerWaalsContact O-N 3.14Å; Y260-F263 WeakPolarHBondContact O-CB 3.47Å; Y260-F263 PolarHBondContact O-N 3.45Å; Y260-I264 WeakPolarHBondContact O-CB 3.47Å; Y260-I264 VanDerWaalsContact O-CG1 3.24Å; Y260-I264 WeakPolarHBondContact O-CG1 3.16Å; Y260-I264 PolarHBondContact O-N 3.06Å |
| 261 | N | 89.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -51.4 | -176.5 | -72.7 | -8.9 | 0 | 0 | 0 | 111.6 | S258 F263 I264 E265 | S258-N261 WeakPolarHBondContact O-CB 3.34Å; S258-N261 PolarHBondContact O-N 3.03Å; S258-N261 VanDerWaalsContact O-N 3.12Å; N261-F263 VanDerWaalsContact C-N 3.26Å; N261-F263 PolarHBondContact O-N 2.95Å; N261-I264 PolarHBondContact O-N 3.4Å; N261-E265 WeakPolarHBondContact O-CG 3.43Å; N261-E265 PolarHBondContact O-N 2.84Å |
| 262 | D | 84.3 | Confident | 86.3 | Confident | 65 Ų | 65 | 102.9 Ų | 102.9 | 35% | 0.348 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 177.7 | -64.9 | 0.4 | 0 | 0 | 0 | 111.4 | K69 T266 | K69-D262 IonicContact NZ-OD2 2.59Å; D262-T266 WeakPolarHBondContact O-CB 3.35Å; D262-T266 PolarHBondContact O-N 3.42Å; D262-T266 VanDerWaalsContact O-N 3.09Å; D262-T266 PolarHBondContact O-OG1 3.23Å |
| 263 | F | 86.3 | Confident | 85.4 | Confident | 76 Ų | 76 | 103 Ų | 103 | 33% | 0.333 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 176.8 | 178.3 | -97.2 | 0 | 0 | 0 | 111.8 | Y63 Y260 N261 T266 H267 | Y63-F263 AromaticContact CD1-CD2 3.63Å; Y63-F263 HydrophobicContact CD1-CD2 3.63Å; Y63-F263 HydrophobicContact CD1-CE2 4.3Å; Y63-F263 HydrophobicContact CD2-CB 3.97Å; Y63-F263 HydrophobicContact CD2-CD2 4.26Å; Y63-F263 AromaticContact CE1-CD2 3.41Å; Y63-F263 HydrophobicContact CE1-CD2 3.41Å; Y63-F263 VanDerWaalsContact CE1-CD2 3.41Å; Y63-F263 AromaticContact CE1-CE2 3.89Å; Y63-F263 HydrophobicContact CE1-CE2 3.89Å; Y63-F263 HydrophobicContact CE1-CG 4.49Å; Y63-F263 HydrophobicContact CE2-CB 4.06Å; Y63-F263 HydrophobicContact CE2-CD2 4.09Å; Y63-F263 HydrophobicContact CE2-CG 4.47Å; Y63-F263 HydrophobicContact CG-CB 4.3Å; Y63-F263 HydrophobicContact CG-CD2 4.04Å; Y63-F263 AromaticContact CZ-CD2 3.66Å; Y260-F263 WeakPolarHBondContact O-CB 3.47Å; Y260-F263 PolarHBondContact O-N 3.45Å; N261-F263 VanDerWaalsContact C-N 3.26Å; N261-F263 PolarHBondContact O-N 2.95Å; F263-T266 PolarHBondContact O-N 3.24Å; F263-H267 AromaticContact CD2-CE1 3.66Å; F263-H267 AromaticContact CD2-ND1 3.49Å; F263-H267 WeakPolarHBondContact CD2-ND1 3.24Å; F263-H267 AromaticContact CE2-CE1 3.51Å; F263-H267 AromaticContact CE2-ND1 3.46Å; F263-H267 WeakPolarHBondContact CE2-ND1 3.38Å; F263-H267 AromaticContact CZ-ND1 3.95Å; F263-H267 PolarHBondContact O-N 2.88Å; F263-H267 PolarHBondContact O-ND1 3.26Å |
| 264 | I | 87.7 | Confident | 84.7 | Confident | 80 Ų | 80 | 105.1 Ų | 105.1 | 41% | 0.41 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.8 | -69.8 | 165.3 | 0 | 0 | 0 | 110.1 | Y260 N261 T266 H267 R268 | Y260-I264 WeakPolarHBondContact O-CB 3.47Å; Y260-I264 VanDerWaalsContact O-CG1 3.24Å; Y260-I264 WeakPolarHBondContact O-CG1 3.16Å; Y260-I264 PolarHBondContact O-N 3.06Å; N261-I264 PolarHBondContact O-N 3.4Å; I264-T266 VanDerWaalsContact C-N 3.27Å; I264-T266 PolarHBondContact O-N 3.22Å; I264-H267 PolarHBondContact O-N 2.94Å; I264-R268 VanDerWaalsContact O-CB 3.24Å; I264-R268 WeakPolarHBondContact O-CB 3.43Å; I264-R268 PolarHBondContact O-N 3.36Å |
| 265 | E | 86.3 | Confident | 83.7 | Confident | 146 Ų | 146 | 111.4 Ų | 111.4 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.1 | -38.8 | 177.2 | -74.6 | -174.3 | 177.1 | 0 | 0 | 112.1 | N261 | N261-E265 WeakPolarHBondContact O-CG 3.43Å; N261-E265 PolarHBondContact O-N 2.84Å |
| 266 | T | 86 | Confident | 83.1 | Confident | 80 Ų | 80 | 116.5 Ų | 116.5 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.9 | -35.6 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | D262 F263 I264 | D262-T266 WeakPolarHBondContact O-CB 3.35Å; D262-T266 PolarHBondContact O-N 3.42Å; D262-T266 VanDerWaalsContact O-N 3.09Å; D262-T266 PolarHBondContact O-OG1 3.23Å; F263-T266 PolarHBondContact O-N 3.24Å; I264-T266 VanDerWaalsContact C-N 3.27Å; I264-T266 PolarHBondContact O-N 3.22Å |
| 267 | H | 84.9 | Confident | 82.9 | Confident | 97 Ų | 97 | 119.9 Ų | 119.9 | 45% | 0.449 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -113.1 | 5.8 | -170 | -60.2 | 85.2 | 0 | 0 | 0 | 114.8 | F263 I264 S269 | F263-H267 AromaticContact CD2-CE1 3.66Å; F263-H267 AromaticContact CD2-ND1 3.49Å; F263-H267 WeakPolarHBondContact CD2-ND1 3.24Å; F263-H267 AromaticContact CE2-CE1 3.51Å; F263-H267 AromaticContact CE2-ND1 3.46Å; F263-H267 WeakPolarHBondContact CE2-ND1 3.38Å; F263-H267 AromaticContact CZ-ND1 3.95Å; F263-H267 PolarHBondContact O-N 2.88Å; F263-H267 PolarHBondContact O-ND1 3.26Å; I264-H267 PolarHBondContact O-N 2.94Å; H267-S269 PolarHBondContact O-N 3.16Å |
| 268 | R | 87 | Confident | 82.8 | Confident | 190 Ų | 190 | 121 Ų | 121 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.9 | 179.7 | -174.8 | -179.9 | -65.8 | -170.1 | 0.6 | 110.4 | I264 | I264-R268 VanDerWaalsContact O-CB 3.24Å; I264-R268 WeakPolarHBondContact O-CB 3.43Å; I264-R268 PolarHBondContact O-N 3.36Å |
| 269 | S | 82.1 | Confident | 82.5 | Confident | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 151.7 | 170.8 | 57 | 0 | 0 | 0 | 0 | 111.4 | H267 | H267-S269 PolarHBondContact O-N 3.16Š|
| 270 | S | 76.9 | Confident | 82.3 | Confident | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 146.7 | 169.7 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | V272 | S270-V272 PolarHBondContact O-N 2.88Š|
| 271 | E | 75.4 | Confident | 82.1 | Confident | 189 Ų | 189 | 124.1 Ų | 124.1 | 88% | 0.883 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.4 | 177.2 | -158.4 | 168 | -155.4 | 0 | 0 | 109.9 | ||
| 272 | V | 73.9 | Confident | 81.8 | Confident | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.715 | 63% | 0.633 | S | S | * | * | trans | -87.6 | 114.1 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | S270 E274 | S270-V272 PolarHBondContact O-N 2.88Å; V272-E274 PolarHBondContact O-N 2.69Å | ||
| 273 | V | 73.6 | Confident | 81.6 | Confident | 135 Ų | 135 | 126 Ų | 126 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -75.1 | 96.5 | 172.8 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 274 | E | 73.1 | Confident | 81.2 | Confident | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.8 | 169.9 | -67.9 | -172 | 166.7 | 0 | 0 | 109.5 | V272 | V272-E274 PolarHBondContact O-N 2.69Š|
| 275 | Q | 72.1 | Confident | 80.6 | Confident | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 136.4 | 177.9 | -73.6 | 177.7 | -17.7 | 0 | 0 | 110 | ||
| 276 | E | 78.3 | Confident | 79.5 | Confident | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 144 | 176.2 | -166.6 | 166.8 | -167 | 0 | 0 | 110.4 | E278 | E276-E278 PolarHBondContact O-N 3.08Š|
| 277 | I | 86.1 | Confident | 78.4 | Confident | 167 Ų | 167 | 130.5 Ų | 130.5 | 86% | 0.856 | 67% | 0.667 | S | S | * | * | trans | -79.7 | 114.1 | -178.4 | -57.8 | 174.7 | 0 | 0 | 0 | 108.5 | ||||
| 278 | E | 88.4 | Confident | 77.3 | Confident | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -107.1 | 158.7 | 177.4 | -63.6 | -177.5 | 179.4 | 0 | 0 | 111.7 | E276 D280 | E276-E278 PolarHBondContact O-N 3.08Å; E278-D280 PolarHBondContact O-N 3.32Å | ||
| 279 | F | 83.7 | Confident | 76.3 | Confident | 84 Ų | 84 | 131.8 Ų | 131.8 | 37% | 0.368 | 69% | 0.685 | S | S | . | * | trans | -66.7 | 123.9 | 172.6 | -177.2 | -76.5 | 0 | 0 | 0 | 110 | T281 L284 A292 N293 | F279-T281 PolarHBondContact O-N 2.83Å; F279-L284 HydrophobicContact CE1-CD1 3.75Å; F279-L284 HydrophobicContact CE1-CD2 4.37Å; F279-L284 HydrophobicContact CE1-CG 3.95Å; F279-L284 HydrophobicContact CZ-CD1 4.36Å; F279-L284 HydrophobicContact CZ-CD2 4.34Å; F279-L284 HydrophobicContact CZ-CG 4.42Å; F279-A292 HydrophobicContact CD1-CB 3.81Å; F279-A292 HydrophobicContact CE1-CB 4.06Å; F279-A292 HydrophobicContact CG-CB 4.49Å; F279-N293 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 280 | D | 85.9 | Confident | 76.1 | Confident | 89 Ų | 89 | 129.6 Ų | 129.6 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | trans | -70.7 | 99.8 | -179.6 | -173.1 | -8.7 | 0 | 0 | 0 | 111 | E278 S282 L283 | E278-D280 PolarHBondContact O-N 3.32Å; D280-S282 VanDerWaalsContact CG-OG 3.23Å; D280-S282 PolarHBondContact O-N 2.81Å; D280-S282 VanDerWaalsContact OD1-CB 3.3Å; D280-S282 WeakPolarHBondContact OD1-CB 3.36Å; D280-S282 PolarHBondContact OD1-N 3.11Å; D280-S282 PolarHBondContact OD1-OG 2.87Å; D280-S282 PolarHBondContact OD2-OG 3.44Å; D280-L283 HydrophobicContact CB-CD1 4.09Å; D280-L283 HydrophobicContact CB-CG 4.21Å; D280-L283 WeakPolarHBondContact O-CB 3.3Å; D280-L283 PolarHBondContact O-N 3.08Å | ||
| 281 | T | 82.7 | Confident | 76.3 | Confident | 97 Ų | 97 | 130.1 Ų | 130.1 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -65.9 | -18.4 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | F279 L283 L284 A292 | F279-T281 PolarHBondContact O-N 2.83Å; T281-L283 PolarHBondContact O-N 3.35Å; T281-L284 PolarHBondContact O-N 3.28Å; T281-A292 HydrophobicContact CG2-CB 4.26Å |
| 282 | S | 83.4 | Confident | 76.6 | Confident | 55 Ų | 55 | 122.8 Ų | 122.8 | 39% | 0.385 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -64.3 | -22 | 177 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | D280 L284 E285 | D280-S282 VanDerWaalsContact CG-OG 3.23Å; D280-S282 PolarHBondContact O-N 2.81Å; D280-S282 VanDerWaalsContact OD1-CB 3.3Å; D280-S282 WeakPolarHBondContact OD1-CB 3.36Å; D280-S282 PolarHBondContact OD1-N 3.11Å; D280-S282 PolarHBondContact OD1-OG 2.87Å; D280-S282 PolarHBondContact OD2-OG 3.44Å; S282-L284 PolarHBondContact O-N 2.93Å; S282-E285 WeakPolarHBondContact O-CG 3.47Å |
| 283 | L | 79.1 | Confident | 77 | Confident | 130 Ų | 130 | 122.7 Ų | 122.7 | 68% | 0.681 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -69.8 | -10.9 | 177.5 | -61.6 | 176.1 | 0 | 0 | 0 | 114 | D280 T281 | D280-L283 HydrophobicContact CB-CD1 4.09Å; D280-L283 HydrophobicContact CB-CG 4.21Å; D280-L283 WeakPolarHBondContact O-CB 3.3Å; D280-L283 PolarHBondContact O-N 3.08Å; T281-L283 PolarHBondContact O-N 3.35Å |
| 284 | L | 79.3 | Confident | 77.6 | Confident | 34 Ų | 34 | 121.7 Ų | 121.7 | 18% | 0.178 | 61% | 0.609 | C | S | . | * | G | 310 helix | trans | -103.5 | -2.5 | -176.1 | -59.7 | 177.2 | 0 | 0 | 0 | 113.8 | F279 T281 S282 E286 N287 L290 A292 | F279-L284 HydrophobicContact CE1-CD1 3.75Å; F279-L284 HydrophobicContact CE1-CD2 4.37Å; F279-L284 HydrophobicContact CE1-CG 3.95Å; F279-L284 HydrophobicContact CZ-CD1 4.36Å; F279-L284 HydrophobicContact CZ-CD2 4.34Å; F279-L284 HydrophobicContact CZ-CG 4.42Å; T281-L284 PolarHBondContact O-N 3.28Å; S282-L284 PolarHBondContact O-N 2.93Å; L284-E286 PolarHBondContact O-N 3.49Å; L284-E286 VanDerWaalsContact O-N 3.12Å; L284-N287 PolarHBondContact O-N 3.36Å; L284-L290 HydrophobicContact CD2-CB 3.71Å; L284-L290 HydrophobicContact CD2-CD1 4.19Å; L284-A292 HydrophobicContact CD1-CB 3.69Å |
| 285 | E | 73.4 | Confident | 78.2 | Confident | 164 Ų | 164 | 115 Ų | 115 | 77% | 0.766 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -22.3 | -170.2 | -69.1 | -179.6 | -177.7 | 0 | 0 | 114.9 | S282 | S282-E285 WeakPolarHBondContact O-CG 3.47Š|
| 286 | E | 63.5 | Low | 78.8 | Confident | 202 Ų | 202 | 108.9 Ų | 108.9 | 94% | 0.944 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 8.9 | -179.5 | -62.6 | -172.1 | 168.2 | 0 | 0 | 114.2 | L284 | L284-E286 PolarHBondContact O-N 3.49Å; L284-E286 VanDerWaalsContact O-N 3.12Å |
| 287 | N | 64.2 | Low | 79 | Confident | 76 Ų | 76 | 101.8 Ų | 101.8 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | trans | -133.5 | 120.7 | -175.2 | -163.9 | -15.6 | 0 | 0 | 0 | 113.6 | L284 N289 L290 | L284-N287 PolarHBondContact O-N 3.36Å; N287-N289 PolarHBondContact O-N 3.4Å; N287-N289 PolarHBondContact OD1-N 3.19Å; N287-N289 VanDerWaalsContact OD1-N 3.14Å; N287-L290 HydrophobicContact CB-CD1 4.32Å; N287-L290 HydrophobicContact CB-CG 4.43Å; N287-L290 WeakPolarHBondContact ND2-CD1 3.3Å; N287-L290 WeakPolarHBondContact ND2-CG 3.32Å | ||
| 288 | E | 61.3 | Low | 78.9 | Confident | 188 Ų | 188 | 95.1 Ų | 95.1 | 88% | 0.879 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.8 | -177.8 | -62.8 | -172.8 | 168 | 0 | 0 | 114 | ||
| 289 | N | 66.1 | Low | 78.5 | Confident | 126 Ų | 126 | 91.4 Ų | 91.4 | 67% | 0.674 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 3 | -168.5 | -69.9 | -25.4 | 0 | 0 | 0 | 115.2 | N287 M296 | N287-N289 PolarHBondContact O-N 3.4Å; N287-N289 PolarHBondContact OD1-N 3.19Å; N287-N289 VanDerWaalsContact OD1-N 3.14Å; N289-M296 VanDerWaalsContact O-CE 3.28Å; N289-M296 WeakPolarHBondContact O-CE 3.37Å |
| 290 | L | 78.3 | Confident | 78.4 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 31% | 0.309 | 48% | 0.482 | S | S | . | . | trans | -110.1 | 139.8 | -179.9 | -64.4 | -178.3 | 0 | 0 | 0 | 111.2 | L284 N287 M296 | L284-L290 HydrophobicContact CD2-CB 3.71Å; L284-L290 HydrophobicContact CD2-CD1 4.19Å; N287-L290 HydrophobicContact CB-CD1 4.32Å; N287-L290 HydrophobicContact CB-CG 4.43Å; N287-L290 WeakPolarHBondContact ND2-CD1 3.3Å; N287-L290 WeakPolarHBondContact ND2-CG 3.32Å; L290-M296 HydrophobicContact CD2-CB 4.47Å; L290-M296 HydrophobicContact CD2-CE 3.72Å; L290-M296 HydrophobicContact CD2-CG 3.22Å; L290-M296 HydrophobicContact CD2-SD 3.45Å; L290-M296 WeakPolarHBondContact CD2-SD 3.27Å | ||
| 291 | Q | 81.1 | Confident | 78.4 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | trans | -111.6 | 142 | 176.4 | -62.8 | -65.2 | -43.9 | 0 | 0 | 110.4 | E294 | Q291-E294 HydrophobicContact CB-CB 4.09Å; Q291-E294 HydrophobicContact CB-CG 4.09Å; Q291-E294 PolarHBondContact O-N 3.44Å | ||
| 292 | A | 82.1 | Confident | 78.4 | Confident | 35 Ų | 35 | 86.6 Ų | 86.6 | 29% | 0.289 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 142.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F279 T281 L284 E294 | F279-A292 HydrophobicContact CD1-CB 3.81Å; F279-A292 HydrophobicContact CE1-CB 4.06Å; F279-A292 HydrophobicContact CG-CB 4.49Å; T281-A292 HydrophobicContact CG2-CB 4.26Å; L284-A292 HydrophobicContact CD1-CB 3.69Å; A292-E294 PolarHBondContact O-N 3.2Å |
| 293 | N | 82.5 | Confident | 78.4 | Confident | 116 Ų | 116 | 91.5 Ų | 91.5 | 62% | 0.62 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.5 | -177.9 | -60.6 | -56.7 | 0 | 0 | 0 | 115.9 | F279 | F279-N293 WeakPolarHBondContact CB-OD1 3.38Š|
| 294 | E | 84.4 | Confident | 78.6 | Confident | 115 Ų | 115 | 88.3 Ų | 88.3 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | trans | -114.4 | 140.4 | 177.7 | -68.2 | -160.9 | 179.9 | 0 | 0 | 113.5 | Q291 A292 K387 | Q291-E294 HydrophobicContact CB-CB 4.09Å; Q291-E294 HydrophobicContact CB-CG 4.09Å; Q291-E294 PolarHBondContact O-N 3.44Å; A292-E294 PolarHBondContact O-N 3.2Å; E294-K387 IonicContact OE2-NZ 3.9Å | ||
| 295 | I | 85.9 | Confident | 79.1 | Confident | 32 Ų | 32 | 87.9 Ų | 87.9 | 16% | 0.164 | 45% | 0.447 | C | S | . | . | trans | -80.3 | 132.3 | 172.4 | -60.1 | -176.1 | 0 | 0 | 0 | 109.8 | L305 L383 L384 K387 | I295-L305 HydrophobicContact CG2-CD1 3.6Å; I295-L305 HydrophobicContact CG2-CD2 3.75Å; I295-L305 HydrophobicContact CG2-CG 4.35Å; I295-L383 HydrophobicContact CD1-CB 4.42Å; I295-L383 HydrophobicContact CD1-CD2 3.87Å; I295-L383 HydrophobicContact CD1-CG 3.7Å; I295-L383 HydrophobicContact CG1-CD2 4.08Å; I295-L383 HydrophobicContact CG1-CG 4.16Å; I295-L384 HydrophobicContact CD1-CD2 3.62Å; I295-L384 HydrophobicContact CD1-CG 3.96Å; I295-K387 HydrophobicContact CB-CB 4.43Å; I295-K387 HydrophobicContact CB-CD 4.42Å; I295-K387 HydrophobicContact CB-CG 4.09Å; I295-K387 HydrophobicContact CG2-CG 4.24Å; I295-K387 WeakPolarHBondContact O-CE 3.34Å | ||
| 296 | M | 84.8 | Confident | 79.6 | Confident | 61 Ų | 61 | 85 Ų | 85 | 30% | 0.3 | 43% | 0.434 | S | S | . | . | trans | -87.3 | 120.7 | 179.8 | -68.5 | -59.1 | -62.2 | 0 | 0 | 113.4 | N289 L290 T301 L305 | N289-M296 VanDerWaalsContact O-CE 3.28Å; N289-M296 WeakPolarHBondContact O-CE 3.37Å; L290-M296 HydrophobicContact CD2-CB 4.47Å; L290-M296 HydrophobicContact CD2-CE 3.72Å; L290-M296 HydrophobicContact CD2-CG 3.22Å; L290-M296 HydrophobicContact CD2-SD 3.45Å; L290-M296 WeakPolarHBondContact CD2-SD 3.27Å; M296-T301 WeakPolarHBondContact O-CB 3.32Å; M296-T301 PolarHBondContact O-OG1 3Å; M296-L305 VanDerWaalsContact O-CD1 3.26Å; M296-L305 WeakPolarHBondContact O-CD1 3.25Å | ||
| 297 | W | 83.4 | Confident | 80.8 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 10% | 0.095 | 41% | 0.413 | C | S | . | . | trans | -110.9 | 111.5 | 177.8 | -176.2 | -90 | 0 | 0 | 0 | 111.8 | A302 L305 Q306 V388 N391 P397 | W297-A302 HydrophobicContact CD2-CB 4.14Å; W297-A302 HydrophobicContact CE3-CB 4.26Å; W297-A302 HydrophobicContact CH2-CB 3.8Å; W297-A302 HydrophobicContact CZ2-CB 3.66Å; W297-A302 HydrophobicContact CZ3-CB 4.09Å; W297-L305 HydrophobicContact CE3-CD1 3.96Å; W297-L305 HydrophobicContact CZ3-CB 4.3Å; W297-L305 HydrophobicContact CZ3-CD1 4.5Å; W297-Q306 HydrophobicContact CH2-CG 4.14Å; W297-Q306 HydrophobicContact CZ3-CG 4.48Å; W297-V388 HydrophobicContact CH2-CG2 4.4Å; W297-V388 HydrophobicContact CZ3-CG2 3.86Å; W297-N391 HydrophobicContact CD2-CB 4.12Å; W297-N391 HydrophobicContact CG-CB 4.19Å; W297-N391 HydrophobicContact CZ2-CB 4.17Å; W297-P397 WeakPolarHBondContact O-CG 3.5Å | ||
| 298 | N | 84.3 | Confident | 82 | Confident | 27 Ų | 27 | 78.9 Ų | 78.9 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -152.2 | -179.4 | 175.7 | 62.7 | 40.3 | 0 | 0 | 0 | 111.1 | L300 T301 A302 P397 V399 | N298-L300 PolarHBondContact O-N 3.32Å; N298-L300 VanDerWaalsContact O-N 3.1Å; N298-L300 WeakPolarHBondContact OD1-CA 3.03Å; N298-L300 WeakPolarHBondContact OD1-CB 3.09Å; N298-L300 PolarHBondContact OD1-N 3.35Å; N298-T301 PolarHBondContact N-OG1 3.16Å; N298-T301 VanDerWaalsContact N-OG1 3.1Å; N298-T301 PolarHBondContact O-N 2.85Å; N298-T301 PolarHBondContact OD1-N 2.84Å; N298-T301 PolarHBondContact OD1-OG1 2.98Å; N298-A302 VanDerWaalsContact O-CB 3.27Å; N298-A302 WeakPolarHBondContact O-CB 3.26Å; N298-A302 PolarHBondContact O-N 2.88Å; N298-P397 WeakPolarHBondContact CA-O 3.49Å; N298-P397 WeakPolarHBondContact CB-O 3.35Å; N298-V399 HydrophobicContact CB-CG2 3.82Å; N298-V399 VanDerWaalsContact CG-CG2 3.42Å; N298-V399 WeakPolarHBondContact ND2-CG2 3.36Å |
| 299 | N | 80.3 | Confident | 83.4 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.1 | -179.4 | 71.5 | -32.1 | 0 | 0 | 0 | 115.4 | P396 P397 V399 | N299-P396 HydrophobicContact CB-CB 4.25Å; N299-P397 PolarHBondContact N-O 3.23Å; N299-V399 WeakPolarHBondContact OD1-CG2 3.46Å; N299-V399 PolarHBondContact OD1-N 2.98Å |
| 300 | L | 80.5 | Confident | 84.6 | Confident | 126 Ų | 126 | 71.1 Ų | 71.1 | 66% | 0.66 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -29.1 | 175.6 | -54.8 | -177.3 | 0 | 0 | 0 | 112.7 | N298 V399 | N298-L300 PolarHBondContact O-N 3.32Å; N298-L300 VanDerWaalsContact O-N 3.1Å; N298-L300 WeakPolarHBondContact OD1-CA 3.03Å; N298-L300 WeakPolarHBondContact OD1-CB 3.09Å; N298-L300 PolarHBondContact OD1-N 3.35Å; L300-V399 HydrophobicContact CD1-CB 4.26Å; L300-V399 HydrophobicContact CD1-CG1 4.47Å; L300-V399 HydrophobicContact CD1-CG2 3.76Å; L300-V399 HydrophobicContact CG-CG2 3.83Å |
| 301 | T | 85 | Confident | 85.1 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -24.5 | -172.6 | 61 | 0 | 0 | 0 | 0 | 113.9 | M296 N298 E303 S304 L305 | M296-T301 WeakPolarHBondContact O-CB 3.32Å; M296-T301 PolarHBondContact O-OG1 3Å; N298-T301 PolarHBondContact N-OG1 3.16Å; N298-T301 VanDerWaalsContact N-OG1 3.1Å; N298-T301 PolarHBondContact O-N 2.85Å; N298-T301 PolarHBondContact OD1-N 2.84Å; N298-T301 PolarHBondContact OD1-OG1 2.98Å; T301-E303 PolarHBondContact O-N 2.81Å; T301-S304 PolarHBondContact O-N 3.35Å; T301-S304 VanDerWaalsContact O-N 3.14Å; T301-S304 PolarHBondContact O-OG 2.86Å; T301-L305 WeakPolarHBondContact O-CG 3.37Å; T301-L305 PolarHBondContact O-N 3.4Å |
| 302 | A | 82.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.3 | -48.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | W297 N298 L305 Q306 P396 | W297-A302 HydrophobicContact CD2-CB 4.14Å; W297-A302 HydrophobicContact CE3-CB 4.26Å; W297-A302 HydrophobicContact CH2-CB 3.8Å; W297-A302 HydrophobicContact CZ2-CB 3.66Å; W297-A302 HydrophobicContact CZ3-CB 4.09Å; N298-A302 VanDerWaalsContact O-CB 3.27Å; N298-A302 WeakPolarHBondContact O-CB 3.26Å; N298-A302 PolarHBondContact O-N 2.88Å; A302-L305 PolarHBondContact O-N 3.33Å; A302-Q306 WeakPolarHBondContact O-CG 3.47Å; A302-Q306 PolarHBondContact O-N 3.24Å; A302-Q306 VanDerWaalsContact O-N 3.07Å; A302-P396 HydrophobicContact CB-CB 4.03Å; A302-P396 HydrophobicContact CB-CG 3.8Å |
| 303 | E | 83.4 | Confident | 86.1 | Confident | 158 Ų | 158 | 66.5 Ų | 66.5 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 178.6 | -171.5 | 179.1 | -169.9 | 0 | 0 | 111.3 | T301 L305 Q306 V307 | T301-E303 PolarHBondContact O-N 2.81Å; E303-L305 PolarHBondContact O-N 3.17Å; E303-Q306 PolarHBondContact O-N 3.15Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 3.42Å |
| 304 | S | 85 | Confident | 86.6 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 179 | 73.8 | 0 | 0 | 0 | 0 | 113 | T301 V307 T308 | T301-S304 PolarHBondContact O-N 3.35Å; T301-S304 VanDerWaalsContact O-N 3.14Å; T301-S304 PolarHBondContact O-OG 2.86Å; S304-V307 PolarHBondContact O-N 3.09Å; S304-T308 WeakPolarHBondContact O-CB 3.36Å; S304-T308 PolarHBondContact O-N 3.38Å; S304-T308 PolarHBondContact O-OG1 2.97Å |
| 305 | L | 87.9 | Confident | 87 | Confident | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 176.9 | -72.4 | 172.3 | 0 | 0 | 0 | 111.5 | I295 M296 W297 T301 A302 E303 T308 L309 L384 | I295-L305 HydrophobicContact CG2-CD1 3.6Å; I295-L305 HydrophobicContact CG2-CD2 3.75Å; I295-L305 HydrophobicContact CG2-CG 4.35Å; M296-L305 VanDerWaalsContact O-CD1 3.26Å; M296-L305 WeakPolarHBondContact O-CD1 3.25Å; W297-L305 HydrophobicContact CE3-CD1 3.96Å; W297-L305 HydrophobicContact CZ3-CB 4.3Å; W297-L305 HydrophobicContact CZ3-CD1 4.5Å; T301-L305 WeakPolarHBondContact O-CG 3.37Å; T301-L305 PolarHBondContact O-N 3.4Å; A302-L305 PolarHBondContact O-N 3.33Å; E303-L305 PolarHBondContact O-N 3.17Å; L305-T308 PolarHBondContact O-N 3.47Å; L305-L309 WeakPolarHBondContact O-CB 3.4Å; L305-L309 PolarHBondContact O-N 3.37Å; L305-L384 HydrophobicContact CD2-CD2 3.86Å |
| 306 | Q | 85.7 | Confident | 87.3 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 172.5 | -72.8 | 179 | -5.6 | 0 | 0 | 111.8 | W297 A302 E303 K310 | W297-Q306 HydrophobicContact CH2-CG 4.14Å; W297-Q306 HydrophobicContact CZ3-CG 4.48Å; A302-Q306 WeakPolarHBondContact O-CG 3.47Å; A302-Q306 PolarHBondContact O-N 3.24Å; A302-Q306 VanDerWaalsContact O-N 3.07Å; E303-Q306 PolarHBondContact O-N 3.15Å; Q306-K310 WeakPolarHBondContact O-CB 3.45Å; Q306-K310 PolarHBondContact O-N 2.96Å |
| 307 | V | 88.6 | Confident | 87.6 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 52% | 0.515 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | E303 S304 K310 T311 | E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 3.42Å; S304-V307 PolarHBondContact O-N 3.09Å; V307-K310 PolarHBondContact O-N 3.38Å; V307-T311 PolarHBondContact O-N 3.29Å; V307-T311 PolarHBondContact O-OG1 3.23Å |
| 308 | T | 88.9 | Confident | 88.1 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S304 L305 K310 T311 V312 L384 | S304-T308 WeakPolarHBondContact O-CB 3.36Å; S304-T308 PolarHBondContact O-N 3.38Å; S304-T308 PolarHBondContact O-OG1 2.97Å; L305-T308 PolarHBondContact O-N 3.47Å; T308-K310 VanDerWaalsContact C-N 3.34Å; T308-K310 PolarHBondContact O-N 3Å; T308-T311 WeakPolarHBondContact O-CB 3.17Å; T308-T311 PolarHBondContact O-N 3.33Å; T308-T311 VanDerWaalsContact O-N 3.15Å; T308-V312 HydrophobicContact CG2-CG2 4.4Å; T308-V312 WeakPolarHBondContact O-CG2 3.44Å; T308-V312 PolarHBondContact O-N 2.96Å; T308-L384 HydrophobicContact CG2-CD1 4.23Å |
| 309 | L | 90.8 | Very high | 88.5 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 174.8 | 173.4 | 58.5 | 0 | 0 | 0 | 111.3 | L305 T311 V312 I313 K381 L384 E385 V388 | L305-L309 WeakPolarHBondContact O-CB 3.4Å; L305-L309 PolarHBondContact O-N 3.37Å; L309-T311 VanDerWaalsContact C-N 3.31Å; L309-T311 PolarHBondContact O-N 2.6Å; L309-V312 PolarHBondContact O-N 2.74Å; L309-I313 HydrophobicContact CD1-CD1 3.8Å; L309-I313 HydrophobicContact CD1-CG1 4.11Å; L309-I313 HydrophobicContact CG-CD1 3.94Å; L309-I313 VanDerWaalsContact O-CG1 3.28Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 2.61Å; L309-K381 HydrophobicContact CD1-CG 4.2Å; L309-L384 HydrophobicContact CB-CB 4.27Å; L309-L384 HydrophobicContact CB-CD1 4.49Å; L309-L384 HydrophobicContact CD1-CB 3.81Å; L309-L384 HydrophobicContact CG-CB 4.48Å; L309-E385 HydrophobicContact CD1-CG 3.56Å; L309-E385 HydrophobicContact CD2-CG 4.06Å; L309-E385 HydrophobicContact CG-CG 4.42Å; L309-V388 HydrophobicContact CD2-CB 4.27Å; L309-V388 HydrophobicContact CD2-CG2 3.87Å |
| 310 | K | 90 | Very high | 89.2 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.1 | -43 | 175.6 | -176 | 178.8 | 173.9 | -176.6 | 0 | 111.9 | Q306 V307 T308 I313 E314 | Q306-K310 WeakPolarHBondContact O-CB 3.45Å; Q306-K310 PolarHBondContact O-N 2.96Å; V307-K310 PolarHBondContact O-N 3.38Å; T308-K310 VanDerWaalsContact C-N 3.34Å; T308-K310 PolarHBondContact O-N 3Å; K310-I313 PolarHBondContact O-N 3.38Å; K310-E314 WeakPolarHBondContact CE-OE1 3.06Å; K310-E314 WeakPolarHBondContact O-CG 3.47Å; K310-E314 PolarHBondContact O-N 3.12Å |
| 311 | T | 90.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | V307 T308 L309 I313 E314 E315 | V307-T311 PolarHBondContact O-N 3.29Å; V307-T311 PolarHBondContact O-OG1 3.23Å; T308-T311 WeakPolarHBondContact O-CB 3.17Å; T308-T311 PolarHBondContact O-N 3.33Å; T308-T311 VanDerWaalsContact O-N 3.15Å; L309-T311 VanDerWaalsContact C-N 3.31Å; L309-T311 PolarHBondContact O-N 2.6Å; T311-I313 VanDerWaalsContact C-N 3.34Å; T311-I313 PolarHBondContact O-N 3.27Å; T311-E314 PolarHBondContact O-N 2.89Å; T311-E315 WeakPolarHBondContact O-CG 3.46Å; T311-E315 PolarHBondContact O-N 3.16Å |
| 312 | V | 91.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | T308 L309 E315 Q316 F377 Q380 K381 L384 | T308-V312 HydrophobicContact CG2-CG2 4.4Å; T308-V312 WeakPolarHBondContact O-CG2 3.44Å; T308-V312 PolarHBondContact O-N 2.96Å; L309-V312 PolarHBondContact O-N 2.74Å; V312-E315 PolarHBondContact O-N 3.16Å; V312-Q316 VanDerWaalsContact O-CB 3.28Å; V312-Q316 WeakPolarHBondContact O-CB 3.01Å; V312-Q316 PolarHBondContact O-N 3.06Å; V312-F377 HydrophobicContact CG1-CB 4.4Å; V312-F377 HydrophobicContact CG1-CD1 4.37Å; V312-Q380 HydrophobicContact CG1-CB 4.26Å; V312-K381 HydrophobicContact CG1-CB 4.05Å; V312-L384 HydrophobicContact CG2-CD1 4.24Å |
| 313 | I | 91.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 68 Ų | 68 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 174 | -70.9 | 167.5 | 0 | 0 | 0 | 110.8 | L309 K310 T311 Q316 I317 K381 | L309-I313 HydrophobicContact CD1-CD1 3.8Å; L309-I313 HydrophobicContact CD1-CG1 4.11Å; L309-I313 HydrophobicContact CG-CD1 3.94Å; L309-I313 VanDerWaalsContact O-CG1 3.28Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 2.61Å; K310-I313 PolarHBondContact O-N 3.38Å; T311-I313 VanDerWaalsContact C-N 3.34Å; T311-I313 PolarHBondContact O-N 3.27Å; I313-Q316 PolarHBondContact O-N 3.43Å; I313-I317 HydrophobicContact CG2-CD1 3.75Å; I313-I317 HydrophobicContact CG2-CG1 4.49Å; I313-I317 WeakPolarHBondContact O-CB 3.08Å; I313-I317 VanDerWaalsContact O-CG1 3.26Å; I313-I317 WeakPolarHBondContact O-CG1 3.38Å; I313-I317 PolarHBondContact O-N 3.43Å; I313-K381 HydrophobicContact CG1-CD 3.92Å; I313-K381 HydrophobicContact CG1-CG 4.13Å |
| 314 | E | 92.4 | Very high | 91.3 | Very high | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.7 | -74.2 | 174.4 | -173.8 | 0 | 0 | 111.6 | K310 T311 I317 Q318 | K310-E314 WeakPolarHBondContact CE-OE1 3.06Å; K310-E314 WeakPolarHBondContact O-CG 3.47Å; K310-E314 PolarHBondContact O-N 3.12Å; T311-E314 PolarHBondContact O-N 2.89Å; E314-I317 PolarHBondContact O-N 3.44Å; E314-Q318 WeakPolarHBondContact O-CB 3.3Å; E314-Q318 PolarHBondContact O-N 3.38Å |
| 315 | E | 92.9 | Very high | 91.7 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 176.4 | -72.6 | -175.1 | 172.8 | 0 | 0 | 112.8 | T311 V312 Q318 T319 F377 | T311-E315 WeakPolarHBondContact O-CG 3.46Å; T311-E315 PolarHBondContact O-N 3.16Å; V312-E315 PolarHBondContact O-N 3.16Å; E315-Q318 PolarHBondContact O-N 3.06Å; E315-T319 WeakPolarHBondContact O-CB 3.47Å; E315-T319 PolarHBondContact O-N 3.29Å; E315-T319 PolarHBondContact O-OG1 3.08Å; E315-F377 HydrophobicContact CB-CE1 4.26Å; E315-F377 HydrophobicContact CB-CE2 4.37Å; E315-F377 HydrophobicContact CB-CZ 4.12Å; E315-F377 WeakPolarHBondContact OE2-CE1 3.49Å; E315-F377 WeakPolarHBondContact OE2-CZ 3.38Å |
| 316 | Q | 92.3 | Very high | 92 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 175.7 | -171.3 | -174 | 25.1 | 0 | 0 | 111 | V312 I313 Q318 T319 Q320 F377 | V312-Q316 VanDerWaalsContact O-CB 3.28Å; V312-Q316 WeakPolarHBondContact O-CB 3.01Å; V312-Q316 PolarHBondContact O-N 3.06Å; I313-Q316 PolarHBondContact O-N 3.43Å; Q316-Q318 VanDerWaalsContact C-N 3.34Å; Q316-Q318 PolarHBondContact O-N 2.98Å; Q316-T319 PolarHBondContact O-N 3.04Å; Q316-Q320 WeakPolarHBondContact O-CG 3.49Å; Q316-Q320 PolarHBondContact O-N 2.86Å; Q316-F377 HydrophobicContact CB-CB 3.94Å; Q316-F377 HydrophobicContact CG-CB 4.12Å |
| 317 | I | 92.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 178.6 | -69.8 | 168 | 0 | 0 | 0 | 110.3 | I313 E314 T319 Q320 Q321 | I313-I317 HydrophobicContact CG2-CD1 3.75Å; I313-I317 HydrophobicContact CG2-CG1 4.49Å; I313-I317 WeakPolarHBondContact O-CB 3.08Å; I313-I317 VanDerWaalsContact O-CG1 3.26Å; I313-I317 WeakPolarHBondContact O-CG1 3.38Å; I313-I317 PolarHBondContact O-N 3.43Å; E314-I317 PolarHBondContact O-N 3.44Å; I317-T319 VanDerWaalsContact C-N 3.31Å; I317-T319 PolarHBondContact O-N 3.18Å; I317-Q320 PolarHBondContact O-N 3.4Å; I317-Q321 WeakPolarHBondContact O-CG 3.37Å; I317-Q321 PolarHBondContact O-N 2.85Å |
| 318 | Q | 92.9 | Very high | 92.8 | Very high | 110 Ų | 110 | 68.1 Ų | 68.1 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 177.6 | -175.7 | 59.8 | 50.1 | 0 | 0 | 111.8 | E314 E315 Q316 T322 | E314-Q318 WeakPolarHBondContact O-CB 3.3Å; E314-Q318 PolarHBondContact O-N 3.38Å; E315-Q318 PolarHBondContact O-N 3.06Å; Q316-Q318 VanDerWaalsContact C-N 3.34Å; Q316-Q318 PolarHBondContact O-N 2.98Å; Q318-T322 WeakPolarHBondContact O-CB 3.46Å; Q318-T322 PolarHBondContact O-N 3.38Å; Q318-T322 VanDerWaalsContact O-N 3.09Å; Q318-T322 PolarHBondContact O-OG1 3.37Å |
| 319 | T | 92.7 | Very high | 93 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 111 | E315 Q316 I317 Q321 T322 L323 L370 E374 | E315-T319 WeakPolarHBondContact O-CB 3.47Å; E315-T319 PolarHBondContact O-N 3.29Å; E315-T319 PolarHBondContact O-OG1 3.08Å; Q316-T319 PolarHBondContact O-N 3.04Å; I317-T319 VanDerWaalsContact C-N 3.31Å; I317-T319 PolarHBondContact O-N 3.18Å; T319-Q321 PolarHBondContact O-N 3.14Å; T319-T322 PolarHBondContact O-N 3.06Å; T319-L323 WeakPolarHBondContact O-CB 3.49Å; T319-L323 PolarHBondContact O-N 3.27Å; T319-L370 HydrophobicContact CG2-CD2 4.18Å; T319-E374 HydrophobicContact CG2-CB 4.31Å |
| 320 | Q | 94.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.4 | -79.5 | 179.3 | -19 | 0 | 0 | 112.8 | Q316 I317 T322 L323 L324 E374 | Q316-Q320 WeakPolarHBondContact O-CG 3.49Å; Q316-Q320 PolarHBondContact O-N 2.86Å; I317-Q320 PolarHBondContact O-N 3.4Å; Q320-T322 VanDerWaalsContact C-N 3.31Å; Q320-T322 PolarHBondContact O-N 3.05Å; Q320-L323 PolarHBondContact O-N 3.38Å; Q320-L324 WeakPolarHBondContact O-CG 3.49Å; Q320-L324 PolarHBondContact O-N 2.97Å; Q320-E374 HydrophobicContact CG-CG 3.99Å; Q320-E374 WeakPolarHBondContact CG-OE1 3.41Å; Q320-E374 PolarHBondContact NE2-OE1 3.06Å |
| 321 | Q | 94.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 67.2 Ų | 67.2 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.7 | -72.7 | 176.9 | -0.6 | 0 | 0 | 111.7 | I317 T319 S325 | I317-Q321 WeakPolarHBondContact O-CG 3.37Å; I317-Q321 PolarHBondContact O-N 2.85Å; T319-Q321 PolarHBondContact O-N 3.14Å; Q321-S325 PolarHBondContact O-N 3.26Å |
| 322 | T | 92.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 70.4 Ų | 70.4 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.7 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | Q318 T319 Q320 S325 K326 L370 | Q318-T322 WeakPolarHBondContact O-CB 3.46Å; Q318-T322 PolarHBondContact O-N 3.38Å; Q318-T322 VanDerWaalsContact O-N 3.09Å; Q318-T322 PolarHBondContact O-OG1 3.37Å; T319-T322 PolarHBondContact O-N 3.06Å; Q320-T322 VanDerWaalsContact C-N 3.31Å; Q320-T322 PolarHBondContact O-N 3.05Å; T322-S325 PolarHBondContact O-N 3.31Å; T322-K326 HydrophobicContact CG2-CG 4.38Å; T322-K326 VanDerWaalsContact O-CG 3.23Å; T322-K326 WeakPolarHBondContact O-CG 3.36Å; T322-K326 PolarHBondContact O-N 3.05Å; T322-L370 HydrophobicContact CG2-CD1 4.07Å |
| 323 | L | 93.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.7 | -52.5 | 177.2 | 177 | 63.6 | 0 | 0 | 0 | 111.2 | T319 Q320 S325 K326 E327 V367 L370 R371 E374 | T319-L323 WeakPolarHBondContact O-CB 3.49Å; T319-L323 PolarHBondContact O-N 3.27Å; Q320-L323 PolarHBondContact O-N 3.38Å; L323-S325 VanDerWaalsContact C-N 3.3Å; L323-S325 PolarHBondContact O-N 3.16Å; L323-K326 PolarHBondContact O-N 3.33Å; L323-E327 HydrophobicContact CD1-CG 4.09Å; L323-E327 HydrophobicContact CG-CG 4.4Å; L323-E327 WeakPolarHBondContact O-CG 3.16Å; L323-E327 PolarHBondContact O-N 3.21Å; L323-V367 HydrophobicContact CD1-CB 4.47Å; L323-V367 HydrophobicContact CD1-CG1 3.82Å; L323-L370 HydrophobicContact CB-CB 4.4Å; L323-L370 HydrophobicContact CD1-CB 3.91Å; L323-R371 HydrophobicContact CD1-CG 3.81Å; L323-R371 HydrophobicContact CD2-CG 3.9Å; L323-E374 VanDerWaalsContact CD2-OE2 3.23Å; L323-E374 WeakPolarHBondContact CD2-OE2 3.27Å |
| 324 | L | 95.1 | Very high | 93.7 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 60% | 0.602 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.9 | -45.2 | 178 | -74.1 | 170.4 | 0 | 0 | 0 | 111.9 | Q320 K326 E327 E328 | Q320-L324 WeakPolarHBondContact O-CG 3.49Å; Q320-L324 PolarHBondContact O-N 2.97Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 3.18Å; L324-E327 PolarHBondContact O-N 3.29Å; L324-E328 PolarHBondContact O-N 2.69Å |
| 325 | S | 94.9 | Very high | 93.8 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | Q321 T322 L323 L329 | Q321-S325 PolarHBondContact O-N 3.26Å; T322-S325 PolarHBondContact O-N 3.31Å; L323-S325 VanDerWaalsContact C-N 3.3Å; L323-S325 PolarHBondContact O-N 3.16Å; S325-L329 WeakPolarHBondContact O-CG 3.43Å; S325-L329 PolarHBondContact O-N 3.11Å |
| 326 | K | 92.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 74.6 Ų | 74.6 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.9 | -36.8 | 179.1 | -67.1 | -72 | 172.2 | -173.5 | 0 | 112.1 | T322 L323 L324 E328 L329 V330 L363 V367 L370 | T322-K326 HydrophobicContact CG2-CG 4.38Å; T322-K326 VanDerWaalsContact O-CG 3.23Å; T322-K326 WeakPolarHBondContact O-CG 3.36Å; T322-K326 PolarHBondContact O-N 3.05Å; L323-K326 PolarHBondContact O-N 3.33Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 3.18Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-L329 HydrophobicContact CD-CD1 4.24Å; K326-L329 PolarHBondContact O-N 3.1Å; K326-V330 WeakPolarHBondContact O-CG2 3.09Å; K326-V330 PolarHBondContact O-N 2.91Å; K326-L363 HydrophobicContact CB-CD1 4.44Å; K326-L363 HydrophobicContact CD-CD1 3.72Å; K326-V367 HydrophobicContact CB-CG2 3.79Å; K326-L370 HydrophobicContact CB-CD1 4.46Å; K326-L370 HydrophobicContact CG-CD1 4.1Å |
| 327 | E | 95.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 173.8 | -72.7 | -179.3 | 151.2 | 0 | 0 | 111.9 | L323 L324 V330 L331 V367 R371 | L323-E327 HydrophobicContact CD1-CG 4.09Å; L323-E327 HydrophobicContact CG-CG 4.4Å; L323-E327 WeakPolarHBondContact O-CG 3.16Å; L323-E327 PolarHBondContact O-N 3.21Å; L324-E327 PolarHBondContact O-N 3.29Å; E327-V330 WeakPolarHBondContact O-CB 3.49Å; E327-V330 PolarHBondContact O-N 3.21Å; E327-L331 PolarHBondContact O-N 3.44Å; E327-V367 HydrophobicContact CG-CG1 3.79Å; E327-V367 HydrophobicContact CG-CG2 4.21Å; E327-R371 IonicContact OE1-CZ 2.78Å; E327-R371 IonicContact OE1-NE 2.74Å; E327-R371 PolarHBondContact OE1-NE 3.02Å; E327-R371 VanDerWaalsContact OE1-NE 3.13Å; E327-R371 IonicContact OE1-NH2 3.52Å; E327-R371 PolarHBondContact OE1-NH2 3.36Å |
| 328 | E | 96 | Very high | 93.5 | Very high | 140 Ų | 140 | 76.1 Ų | 76.1 | 65% | 0.654 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 173 | -171.6 | 175.1 | -165.3 | 0 | 0 | 111.8 | L324 K326 V330 L331 E332 | L324-E328 PolarHBondContact O-N 2.69Å; K326-E328 VanDerWaalsContact C-N 3.33Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 3.45Å; E328-L331 PolarHBondContact O-N 3.37Å; E328-E332 PolarHBondContact O-N 3.29Å |
| 329 | L | 93.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 175.5 | -72.5 | 170.2 | 0 | 0 | 0 | 112.8 | S325 K326 L333 L363 | S325-L329 WeakPolarHBondContact O-CG 3.43Å; S325-L329 PolarHBondContact O-N 3.11Å; K326-L329 HydrophobicContact CD-CD1 4.24Å; K326-L329 PolarHBondContact O-N 3.1Å; L329-L333 VanDerWaalsContact O-CB 3.28Å; L329-L333 WeakPolarHBondContact O-CB 3.45Å; L329-L333 PolarHBondContact O-N 3.39Å; L329-L363 HydrophobicContact CB-CD2 3.85Å |
| 330 | V | 94.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 76.2 Ų | 76.2 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 172.8 | 169 | 0 | 0 | 0 | 0 | 109.7 | K326 E327 E328 E332 L333 E334 L360 L363 K364 V367 | K326-V330 WeakPolarHBondContact O-CG2 3.09Å; K326-V330 PolarHBondContact O-N 2.91Å; E327-V330 WeakPolarHBondContact O-CB 3.49Å; E327-V330 PolarHBondContact O-N 3.21Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 3.45Å; V330-E332 PolarHBondContact O-N 2.88Å; V330-L333 PolarHBondContact O-N 3.11Å; V330-E334 HydrophobicContact CG1-CG 4.41Å; V330-E334 WeakPolarHBondContact O-CB 3.36Å; V330-E334 WeakPolarHBondContact O-CG 3.27Å; V330-E334 PolarHBondContact O-N 3.34Å; V330-L360 HydrophobicContact CG1-CD1 3.91Å; V330-L363 HydrophobicContact CB-CD2 4.33Å; V330-L363 HydrophobicContact CG2-CB 4.3Å; V330-L363 HydrophobicContact CG2-CD2 3.58Å; V330-L363 HydrophobicContact CG2-CG 3.56Å; V330-K364 HydrophobicContact CG1-CG 4.17Å; V330-K364 HydrophobicContact CG2-CG 4.38Å; V330-V367 HydrophobicContact CG2-CG2 4Å |
| 331 | L | 94.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | -179.9 | -67.2 | 172 | 0 | 0 | 0 | 112.3 | E327 E328 K335 | E327-L331 PolarHBondContact O-N 3.44Å; E328-L331 PolarHBondContact O-N 3.37Å; L331-K335 WeakPolarHBondContact O-CB 3.45Å; L331-K335 PolarHBondContact O-N 3.46Å |
| 332 | E | 94.1 | Very high | 92.2 | Very high | 125 Ų | 125 | 77.7 Ų | 77.7 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 176.5 | -171.8 | -176.9 | -179.5 | 0 | 0 | 111.3 | E328 V330 K335 K336 | E328-E332 PolarHBondContact O-N 3.29Å; V330-E332 PolarHBondContact O-N 2.88Å; E332-K335 PolarHBondContact O-N 2.83Å; E332-K336 WeakPolarHBondContact O-CB 3.49Å; E332-K336 PolarHBondContact O-N 2.92Å |
| 333 | L | 92.2 | Very high | 91.6 | Very high | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | -179.9 | -171 | 59.8 | 0 | 0 | 0 | 111.8 | L329 V330 K336 I337 A359 L360 | L329-L333 VanDerWaalsContact O-CB 3.28Å; L329-L333 WeakPolarHBondContact O-CB 3.45Å; L329-L333 PolarHBondContact O-N 3.39Å; V330-L333 PolarHBondContact O-N 3.11Å; L333-K336 PolarHBondContact O-N 3.29Å; L333-I337 HydrophobicContact CD1-CD1 4.48Å; L333-I337 HydrophobicContact CG-CD1 4.06Å; L333-I337 WeakPolarHBondContact O-CB 3.26Å; L333-I337 VanDerWaalsContact O-CG1 3.25Å; L333-I337 WeakPolarHBondContact O-CG1 3.43Å; L333-I337 PolarHBondContact O-N 3.23Å; L333-A359 HydrophobicContact CD2-CB 4.31Å; L333-L360 HydrophobicContact CB-CD1 4.43Å; L333-L360 HydrophobicContact CD2-CB 3.9Å; L333-L360 HydrophobicContact CD2-CD1 4.4Å; L333-L360 HydrophobicContact CG-CB 4.35Å |
| 334 | E | 94.6 | Very high | 91 | Very high | 68 Ų | 68 | 82.2 Ų | 82.2 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.8 | -49.2 | 172.3 | -78.8 | -179.1 | 155.8 | 0 | 0 | 111.4 | V330 K336 I337 E338 L360 K364 | V330-E334 HydrophobicContact CG1-CG 4.41Å; V330-E334 WeakPolarHBondContact O-CB 3.36Å; V330-E334 WeakPolarHBondContact O-CG 3.27Å; V330-E334 PolarHBondContact O-N 3.34Å; E334-K336 VanDerWaalsContact C-N 3.34Å; E334-K336 PolarHBondContact O-N 3.04Å; E334-I337 PolarHBondContact O-N 2.91Å; E334-E338 PolarHBondContact O-N 3.3Å; E334-L360 HydrophobicContact CG-CD1 3.65Å; E334-L360 HydrophobicContact CG-CD2 3.58Å; E334-L360 HydrophobicContact CG-CG 4.26Å; E334-K364 WeakPolarHBondContact OE1-CE 3.25Å; E334-K364 IonicContact OE1-NZ 3.75Å; E334-K364 PolarHBondContact OE1-NZ 3.19Å |
| 335 | K | 93.6 | Very high | 90 | Very high | 127 Ų | 127 | 85.5 Ų | 85.5 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 177 | -177.3 | -179.9 | 174.8 | -174.9 | 0 | 111.6 | L331 E332 I337 E338 E339 | L331-K335 WeakPolarHBondContact O-CB 3.45Å; L331-K335 PolarHBondContact O-N 3.46Å; E332-K335 PolarHBondContact O-N 2.83Å; K335-I337 VanDerWaalsContact C-N 3.34Å; K335-I337 PolarHBondContact O-N 2.92Å; K335-E338 PolarHBondContact O-N 2.71Å; K335-E339 WeakPolarHBondContact CE-OE1 3.43Å; K335-E339 WeakPolarHBondContact O-CG 3.4Å; K335-E339 PolarHBondContact O-N 3.16Å |
| 336 | K | 90.4 | Very high | 89.4 | Confident | 113 Ų | 113 | 89.3 Ų | 89.3 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 178.5 | -172.9 | 176.2 | -177.6 | 176.4 | 0 | 112.3 | E332 L333 E334 S340 | E332-K336 WeakPolarHBondContact O-CB 3.49Å; E332-K336 PolarHBondContact O-N 2.92Å; L333-K336 PolarHBondContact O-N 3.29Å; E334-K336 VanDerWaalsContact C-N 3.34Å; E334-K336 PolarHBondContact O-N 3.04Å; K336-S340 VanDerWaalsContact O-CB 3.26Å; K336-S340 WeakPolarHBondContact O-CB 3.48Å; K336-S340 PolarHBondContact O-N 3.44Å; K336-S340 PolarHBondContact O-OG 2.89Å |
| 337 | I | 90.8 | Very high | 88.7 | Confident | 15 Ų | 15 | 95.8 Ų | 95.8 | 8% | 0.077 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 174.3 | -70.8 | 164.8 | 0 | 0 | 0 | 110.1 | L333 E334 K335 S340 S341 Q356 K357 L360 | L333-I337 HydrophobicContact CD1-CD1 4.48Å; L333-I337 HydrophobicContact CG-CD1 4.06Å; L333-I337 WeakPolarHBondContact O-CB 3.26Å; L333-I337 VanDerWaalsContact O-CG1 3.25Å; L333-I337 WeakPolarHBondContact O-CG1 3.43Å; L333-I337 PolarHBondContact O-N 3.23Å; E334-I337 PolarHBondContact O-N 2.91Å; K335-I337 VanDerWaalsContact C-N 3.34Å; K335-I337 PolarHBondContact O-N 2.92Å; I337-S340 PolarHBondContact O-N 2.73Å; I337-S341 VanDerWaalsContact O-CB 3.28Å; I337-S341 WeakPolarHBondContact O-CB 3.43Å; I337-S341 PolarHBondContact O-N 2.86Å; I337-Q356 HydrophobicContact CD1-CB 4.02Å; I337-Q356 HydrophobicContact CG1-CB 3.8Å; I337-K357 HydrophobicContact CD1-CG 4.38Å; I337-K357 HydrophobicContact CG2-CG 4.21Å; I337-L360 HydrophobicContact CD1-CB 3.96Å; I337-L360 HydrophobicContact CD1-CD2 3.9Å |
| 338 | E | 91.2 | Very high | 88 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.4 | -161.5 | -166.1 | 152.2 | 0 | 0 | 112.1 | E334 K335 S341 K342 | E334-E338 PolarHBondContact O-N 3.3Å; K335-E338 PolarHBondContact O-N 2.71Å; E338-S341 WeakPolarHBondContact O-CB 3.35Å; E338-S341 PolarHBondContact O-N 3.33Å; E338-K342 WeakPolarHBondContact O-CG 3.43Å; E338-K342 PolarHBondContact O-N 2.94Å; E338-K342 VanDerWaalsContact O-N 3.11Å; E338-K342 WeakPolarHBondContact OE1-CE 3.44Å; E338-K342 IonicContact OE1-NZ 3.78Å; E338-K342 PolarHBondContact OE1-NZ 3.06Å |
| 339 | E | 90.1 | Very high | 87.4 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.5 | -72.6 | 175.3 | 179.5 | 0 | 0 | 111.5 | K335 S341 K342 T343 | K335-E339 WeakPolarHBondContact CE-OE1 3.43Å; K335-E339 WeakPolarHBondContact O-CG 3.4Å; K335-E339 PolarHBondContact O-N 3.16Å; E339-S341 VanDerWaalsContact C-N 3.31Å; E339-S341 PolarHBondContact O-N 3.23Å; E339-K342 WeakPolarHBondContact O-CB 3.46Å; E339-K342 PolarHBondContact O-N 2.86Å; E339-T343 PolarHBondContact O-N 2.84Å |
| 340 | S | 85.9 | Confident | 87 | Confident | 29 Ų | 29 | 92.9 Ų | 92.9 | 20% | 0.203 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | K336 I337 K342 T343 | K336-S340 VanDerWaalsContact O-CB 3.26Å; K336-S340 WeakPolarHBondContact O-CB 3.48Å; K336-S340 PolarHBondContact O-N 3.44Å; K336-S340 PolarHBondContact O-OG 2.89Å; I337-S340 PolarHBondContact O-N 2.73Å; S340-K342 VanDerWaalsContact C-N 3.32Å; S340-K342 PolarHBondContact O-N 2.84Å; S340-T343 PolarHBondContact O-N 3.23Å; S340-T343 VanDerWaalsContact O-N 3.1Å; S340-T343 PolarHBondContact O-OG1 3.42Å |
| 341 | S | 85.1 | Confident | 86.3 | Confident | 61 Ų | 61 | 96.7 Ų | 96.7 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.1 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | I337 E338 E339 T343 C344 | I337-S341 VanDerWaalsContact O-CB 3.28Å; I337-S341 WeakPolarHBondContact O-CB 3.43Å; I337-S341 PolarHBondContact O-N 2.86Å; E338-S341 WeakPolarHBondContact O-CB 3.35Å; E338-S341 PolarHBondContact O-N 3.33Å; E339-S341 VanDerWaalsContact C-N 3.31Å; E339-S341 PolarHBondContact O-N 3.23Å; S341-T343 PolarHBondContact O-N 3.5Å; S341-C344 WeakPolarHBondContact O-CB 3.36Å; S341-C344 PolarHBondContact O-N 2.77Å |
| 342 | K | 84.9 | Confident | 85.8 | Confident | 151 Ų | 151 | 97.7 Ų | 97.7 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.1 | -20.2 | 175.6 | -69.8 | 168 | -174.1 | 163.3 | 0 | 113.3 | E338 E339 S340 | E338-K342 WeakPolarHBondContact O-CG 3.43Å; E338-K342 PolarHBondContact O-N 2.94Å; E338-K342 VanDerWaalsContact O-N 3.11Å; E338-K342 WeakPolarHBondContact OE1-CE 3.44Å; E338-K342 IonicContact OE1-NZ 3.78Å; E338-K342 PolarHBondContact OE1-NZ 3.06Å; E339-K342 WeakPolarHBondContact O-CB 3.46Å; E339-K342 PolarHBondContact O-N 2.86Å; S340-K342 VanDerWaalsContact C-N 3.32Å; S340-K342 PolarHBondContact O-N 2.84Å |
| 343 | T | 81.3 | Confident | 85.4 | Confident | 109 Ų | 109 | 92.2 Ų | 92.2 | 67% | 0.669 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.1 | 178.3 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | E339 S340 S341 E345 | E339-T343 PolarHBondContact O-N 2.84Å; S340-T343 PolarHBondContact O-N 3.23Å; S340-T343 VanDerWaalsContact O-N 3.1Å; S340-T343 PolarHBondContact O-OG1 3.42Å; S341-T343 PolarHBondContact O-N 3.5Å; T343-E345 PolarHBondContact O-N 2.83Å |
| 344 | C | 79.8 | Confident | 85.2 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 29% | 0.291 | 48% | 0.479 | S | S | . | . | trans | -71.6 | 125 | 176.8 | -71 | 0 | 0 | 0 | 0 | 111.2 | S341 D349 | S341-C344 WeakPolarHBondContact O-CB 3.36Å; S341-C344 PolarHBondContact O-N 2.77Å; C344-D349 HydrophobicContact CB-CB 3.86Å | ||
| 345 | E | 75.2 | Confident | 84.8 | Confident | 184 Ų | 184 | 96.2 Ų | 96.2 | 86% | 0.86 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -87 | -32.1 | -179.6 | -69.1 | -175.5 | 173.6 | 0 | 0 | 112 | T343 D349 | T343-E345 PolarHBondContact O-N 2.83Å; E345-D349 PolarHBondContact N-OD2 2.85Å |
| 346 | K | 80.5 | Confident | 84.6 | Confident | 140 Ų | 140 | 93 Ų | 93 | 61% | 0.609 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -114.3 | 146.9 | 178.3 | -61.6 | 179.5 | -178.1 | 177.3 | 0 | 110.8 | S348 D349 | K346-S348 PolarHBondContact O-N 2.65Å; K346-S348 VanDerWaalsContact O-N 3.11Å; K346-D349 PolarHBondContact N-OD2 2.87Å; K346-D349 VanDerWaalsContact O-CB 3.32Å; K346-D349 WeakPolarHBondContact O-CB 3.46Å; K346-D349 PolarHBondContact O-N 3.37Å |
| 347 | K | 78.6 | Confident | 84.6 | Confident | 209 Ų | 209 | 92 Ų | 92 | 91% | 0.909 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -55.5 | -30.8 | 174.9 | -66.8 | -174.4 | 178.4 | -177.8 | 0 | 112.9 | D349 I350 | K347-D349 VanDerWaalsContact C-N 3.3Å; K347-D349 PolarHBondContact O-N 2.72Å; K347-I350 WeakPolarHBondContact O-CG2 3.39Å |
| 348 | S | 81.1 | Confident | 84.6 | Confident | 74 Ų | 74 | 96.6 Ų | 96.6 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -70.4 | -20.3 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | K346 I350 V351 | K346-S348 PolarHBondContact O-N 2.65Å; K346-S348 VanDerWaalsContact O-N 3.11Å; S348-I350 PolarHBondContact O-N 3.49Å; S348-I350 VanDerWaalsContact O-N 3.09Å; S348-V351 WeakPolarHBondContact O-CG2 3.35Å; S348-V351 PolarHBondContact O-N 2.72Å |
| 349 | D | 83.7 | Confident | 84.6 | Confident | 42 Ų | 42 | 93.3 Ų | 93.3 | 23% | 0.225 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -68.4 | -12 | -175.5 | -60.3 | -18.9 | 0 | 0 | 0 | 112 | C344 E345 K346 K347 V351 L352 | C344-D349 HydrophobicContact CB-CB 3.86Å; E345-D349 PolarHBondContact N-OD2 2.85Å; K346-D349 PolarHBondContact N-OD2 2.87Å; K346-D349 VanDerWaalsContact O-CB 3.32Å; K346-D349 WeakPolarHBondContact O-CB 3.46Å; K346-D349 PolarHBondContact O-N 3.37Å; K347-D349 VanDerWaalsContact C-N 3.3Å; K347-D349 PolarHBondContact O-N 2.72Å; D349-V351 PolarHBondContact O-N 2.91Å; D349-L352 HydrophobicContact CB-CD1 4.4Å; D349-L352 VanDerWaalsContact O-CB 3.28Å; D349-L352 WeakPolarHBondContact O-CB 3.38Å; D349-L352 WeakPolarHBondContact O-CG 3.39Å; D349-L352 PolarHBondContact O-N 3.38Å |
| 350 | I | 84.4 | Confident | 84.8 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 42% | 0.415 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -54.5 | -25.4 | 171.9 | -158.9 | 163.4 | 0 | 0 | 0 | 112.9 | K347 S348 L352 L353 | K347-I350 WeakPolarHBondContact O-CG2 3.39Å; S348-I350 PolarHBondContact O-N 3.49Å; S348-I350 VanDerWaalsContact O-N 3.09Å; I350-L352 PolarHBondContact O-N 3.14Å; I350-L353 WeakPolarHBondContact O-CB 3.45Å; I350-L353 PolarHBondContact O-N 2.78Å |
| 351 | V | 81.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 92.8 Ų | 92.8 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -57.7 | -34.7 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | S348 D349 L353 L354 | S348-V351 WeakPolarHBondContact O-CG2 3.35Å; S348-V351 PolarHBondContact O-N 2.72Å; D349-V351 PolarHBondContact O-N 2.91Å; V351-L353 PolarHBondContact O-N 3.23Å; V351-L354 HydrophobicContact CB-CD1 4.44Å; V351-L354 HydrophobicContact CG1-CD1 4.24Å; V351-L354 WeakPolarHBondContact O-CB 3.29Å; V351-L354 WeakPolarHBondContact O-CG 3.05Å; V351-L354 PolarHBondContact O-N 2.86Å |
| 352 | L | 82.8 | Confident | 85.6 | Confident | 134 Ų | 134 | 94.7 Ų | 94.7 | 70% | 0.702 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -67.8 | -18.6 | 179.3 | -57.5 | 174.8 | 0 | 0 | 0 | 112.7 | D349 I350 | D349-L352 HydrophobicContact CB-CD1 4.4Å; D349-L352 VanDerWaalsContact O-CB 3.28Å; D349-L352 WeakPolarHBondContact O-CB 3.38Å; D349-L352 WeakPolarHBondContact O-CG 3.39Å; D349-L352 PolarHBondContact O-N 3.38Å; I350-L352 PolarHBondContact O-N 3.14Å |
| 353 | L | 87.1 | Confident | 86 | Confident | 10 Ų | 10 | 88.7 Ų | 88.7 | 5% | 0.052 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -94 | -9.2 | 179.8 | -54.6 | -179.9 | 0 | 0 | 0 | 112.8 | I350 V351 S355 Q356 K357 | I350-L353 WeakPolarHBondContact O-CB 3.45Å; I350-L353 PolarHBondContact O-N 2.78Å; V351-L353 PolarHBondContact O-N 3.23Å; L353-S355 VanDerWaalsContact C-N 3.33Å; L353-S355 PolarHBondContact O-N 3.27Å; L353-Q356 PolarHBondContact O-N 3.43Å; L353-Q356 VanDerWaalsContact O-N 3.1Å; L353-K357 PolarHBondContact O-N 3.1Å |
| 354 | L | 87.8 | Confident | 86.6 | Confident | 99 Ų | 99 | 87.2 Ų | 87.2 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | -174.6 | -70.4 | 175.4 | 0 | 0 | 0 | 112.6 | V351 Q356 K357 Q358 | V351-L354 HydrophobicContact CB-CD1 4.44Å; V351-L354 HydrophobicContact CG1-CD1 4.24Å; V351-L354 WeakPolarHBondContact O-CB 3.29Å; V351-L354 WeakPolarHBondContact O-CG 3.05Å; V351-L354 PolarHBondContact O-N 2.86Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.04Å; L354-K357 PolarHBondContact O-N 3.43Å; L354-Q358 WeakPolarHBondContact O-CB 3.49Å; L354-Q358 PolarHBondContact O-N 3.38Å |
| 355 | S | 85.9 | Confident | 87.4 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | L353 A359 | L353-S355 VanDerWaalsContact C-N 3.33Å; L353-S355 PolarHBondContact O-N 3.27Å; S355-A359 PolarHBondContact O-N 3.27Å |
| 356 | Q | 88.4 | Confident | 88.2 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 28% | 0.276 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.3 | -41 | 175.8 | -64.7 | 179.9 | -8.4 | 0 | 0 | 111.4 | I337 L353 L354 Q358 A359 L360 | I337-Q356 HydrophobicContact CD1-CB 4.02Å; I337-Q356 HydrophobicContact CG1-CB 3.8Å; L353-Q356 PolarHBondContact O-N 3.43Å; L353-Q356 VanDerWaalsContact O-N 3.1Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.04Å; Q356-Q358 VanDerWaalsContact C-N 3.34Å; Q356-A359 PolarHBondContact O-N 3.3Å; Q356-L360 PolarHBondContact O-N 2.9Å |
| 357 | K | 90.6 | Very high | 88.9 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 174.8 | -73 | -174.2 | 173.7 | -170.9 | 0 | 112.2 | I337 L353 L354 L360 E361 | I337-K357 HydrophobicContact CD1-CG 4.38Å; I337-K357 HydrophobicContact CG2-CG 4.21Å; L353-K357 PolarHBondContact O-N 3.1Å; L354-K357 PolarHBondContact O-N 3.43Å; K357-L360 WeakPolarHBondContact O-CB 3.39Å; K357-L360 PolarHBondContact O-N 2.94Å; K357-E361 PolarHBondContact O-N 3.29Å |
| 358 | Q | 91.9 | Very high | 89.7 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 173 | -178.9 | -176.1 | -12.7 | 0 | 0 | 111.1 | L354 Q356 L360 E361 E362 | L354-Q358 WeakPolarHBondContact O-CB 3.49Å; L354-Q358 PolarHBondContact O-N 3.38Å; Q356-Q358 VanDerWaalsContact C-N 3.34Å; Q358-L360 PolarHBondContact O-N 3.33Å; Q358-E361 PolarHBondContact O-N 3.5Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.4Å; Q358-E362 PolarHBondContact NE2-OE1 3.2Å; Q358-E362 WeakPolarHBondContact O-CG 3.49Å; Q358-E362 PolarHBondContact O-N 3.44Å |
| 359 | A | 90.4 | Very high | 90.3 | Very high | 42 Ų | 42 | 76.1 Ų | 76.1 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L333 S355 Q356 L363 | L333-A359 HydrophobicContact CD2-CB 4.31Å; S355-A359 PolarHBondContact O-N 3.27Å; Q356-A359 PolarHBondContact O-N 3.3Å; A359-L363 VanDerWaalsContact O-CB 3.3Å; A359-L363 WeakPolarHBondContact O-CB 3.47Å; A359-L363 PolarHBondContact O-N 3.27Å |
| 360 | L | 94.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 75.6 Ų | 75.6 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 172.8 | 175.3 | 63.9 | 0 | 0 | 0 | 111.8 | V330 L333 E334 I337 Q356 K357 Q358 L363 K364 | V330-L360 HydrophobicContact CG1-CD1 3.91Å; L333-L360 HydrophobicContact CB-CD1 4.43Å; L333-L360 HydrophobicContact CD2-CB 3.9Å; L333-L360 HydrophobicContact CD2-CD1 4.4Å; L333-L360 HydrophobicContact CG-CB 4.35Å; E334-L360 HydrophobicContact CG-CD1 3.65Å; E334-L360 HydrophobicContact CG-CD2 3.58Å; E334-L360 HydrophobicContact CG-CG 4.26Å; I337-L360 HydrophobicContact CD1-CB 3.96Å; I337-L360 HydrophobicContact CD1-CD2 3.9Å; Q356-L360 PolarHBondContact O-N 2.9Å; K357-L360 WeakPolarHBondContact O-CB 3.39Å; K357-L360 PolarHBondContact O-N 2.94Å; Q358-L360 PolarHBondContact O-N 3.33Å; L360-L363 PolarHBondContact O-N 3.43Å; L360-K364 HydrophobicContact CG-CD 4.47Å; L360-K364 WeakPolarHBondContact O-CG 3.46Å; L360-K364 PolarHBondContact O-N 2.74Å |
| 361 | E | 94.1 | Very high | 91.3 | Very high | 103 Ų | 103 | 77.5 Ų | 77.5 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 179.7 | -162.6 | 59 | -154 | 0 | 0 | 112 | K357 Q358 L363 K364 Q365 | K357-E361 PolarHBondContact O-N 3.29Å; Q358-E361 PolarHBondContact O-N 3.5Å; E361-L363 VanDerWaalsContact C-N 3.29Å; E361-L363 PolarHBondContact O-N 3.26Å; E361-K364 PolarHBondContact O-N 2.9Å; E361-Q365 WeakPolarHBondContact O-CG 3.45Å; E361-Q365 PolarHBondContact O-N 3.07Å |
| 362 | E | 92.9 | Very high | 92 | Very high | 101 Ų | 101 | 76.5 Ų | 76.5 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 172.9 | -70.8 | 171.8 | -173.3 | 0 | 0 | 111.7 | Q358 Q365 T366 | Q358-E362 WeakPolarHBondContact CG-OE1 3.4Å; Q358-E362 PolarHBondContact NE2-OE1 3.2Å; Q358-E362 WeakPolarHBondContact O-CG 3.49Å; Q358-E362 PolarHBondContact O-N 3.44Å; E362-Q365 PolarHBondContact O-N 3.44Å; E362-T366 PolarHBondContact O-N 3.22Å; E362-T366 PolarHBondContact O-OG1 3.07Å |
| 363 | L | 93.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 72.4 Ų | 72.4 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 176.6 | -173.1 | 63.2 | 0 | 0 | 0 | 111.8 | K326 L329 V330 A359 L360 E361 T366 V367 | K326-L363 HydrophobicContact CB-CD1 4.44Å; K326-L363 HydrophobicContact CD-CD1 3.72Å; L329-L363 HydrophobicContact CB-CD2 3.85Å; V330-L363 HydrophobicContact CB-CD2 4.33Å; V330-L363 HydrophobicContact CG2-CB 4.3Å; V330-L363 HydrophobicContact CG2-CD2 3.58Å; V330-L363 HydrophobicContact CG2-CG 3.56Å; A359-L363 VanDerWaalsContact O-CB 3.3Å; A359-L363 WeakPolarHBondContact O-CB 3.47Å; A359-L363 PolarHBondContact O-N 3.27Å; L360-L363 PolarHBondContact O-N 3.43Å; E361-L363 VanDerWaalsContact C-N 3.29Å; E361-L363 PolarHBondContact O-N 3.26Å; L363-T366 WeakPolarHBondContact O-CB 3.33Å; L363-T366 PolarHBondContact O-N 3.09Å; L363-V367 WeakPolarHBondContact O-CG2 3.44Å; L363-V367 PolarHBondContact O-N 2.95Å |
| 364 | K | 94.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 74.3 Ų | 74.3 | 34% | 0.335 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 173.6 | -76 | 179.6 | 177.7 | -177.3 | 0 | 112.1 | V330 E334 L360 E361 T366 V367 Q368 | V330-K364 HydrophobicContact CG1-CG 4.17Å; V330-K364 HydrophobicContact CG2-CG 4.38Å; E334-K364 WeakPolarHBondContact OE1-CE 3.25Å; E334-K364 IonicContact OE1-NZ 3.75Å; E334-K364 PolarHBondContact OE1-NZ 3.19Å; L360-K364 HydrophobicContact CG-CD 4.47Å; L360-K364 WeakPolarHBondContact O-CG 3.46Å; L360-K364 PolarHBondContact O-N 2.74Å; E361-K364 PolarHBondContact O-N 2.9Å; K364-T366 VanDerWaalsContact C-N 3.34Å; K364-V367 PolarHBondContact O-N 2.78Å; K364-Q368 PolarHBondContact O-N 3.05Å |
| 365 | Q | 94.8 | Very high | 93 | Very high | 116 Ų | 116 | 72.5 Ų | 72.5 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.4 | -71.8 | -170.2 | 2.1 | 0 | 0 | 112 | E361 E362 V367 Q368 Q369 | E361-Q365 WeakPolarHBondContact O-CG 3.45Å; E361-Q365 PolarHBondContact O-N 3.07Å; E362-Q365 PolarHBondContact O-N 3.44Å; Q365-V367 PolarHBondContact O-N 3.24Å; Q365-Q368 PolarHBondContact O-N 3.24Å; Q365-Q369 WeakPolarHBondContact O-CG 3.32Å; Q365-Q369 PolarHBondContact O-N 2.97Å |
| 366 | T | 93.2 | Very high | 93.4 | Very high | 55 Ų | 55 | 73.7 Ų | 73.7 | 34% | 0.337 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | E362 L363 K364 Q368 Q369 L370 | E362-T366 PolarHBondContact O-N 3.22Å; E362-T366 PolarHBondContact O-OG1 3.07Å; L363-T366 WeakPolarHBondContact O-CB 3.33Å; L363-T366 PolarHBondContact O-N 3.09Å; K364-T366 VanDerWaalsContact C-N 3.34Å; T366-Q368 VanDerWaalsContact C-N 3.34Å; T366-Q368 PolarHBondContact O-N 3.39Å; T366-Q369 PolarHBondContact O-N 3.19Å; T366-L370 HydrophobicContact CG2-CD1 4.3Å; T366-L370 WeakPolarHBondContact O-CG 3.18Å; T366-L370 PolarHBondContact O-N 2.82Å |
| 367 | V | 95.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 174.6 | 165.6 | 0 | 0 | 0 | 0 | 110.8 | L323 K326 E327 V330 L363 K364 Q365 Q369 L370 R371 | L323-V367 HydrophobicContact CD1-CB 4.47Å; L323-V367 HydrophobicContact CD1-CG1 3.82Å; K326-V367 HydrophobicContact CB-CG2 3.79Å; E327-V367 HydrophobicContact CG-CG1 3.79Å; E327-V367 HydrophobicContact CG-CG2 4.21Å; V330-V367 HydrophobicContact CG2-CG2 4Å; L363-V367 WeakPolarHBondContact O-CG2 3.44Å; L363-V367 PolarHBondContact O-N 2.95Å; K364-V367 PolarHBondContact O-N 2.78Å; Q365-V367 PolarHBondContact O-N 3.24Å; V367-Q369 PolarHBondContact O-N 2.85Å; V367-L370 PolarHBondContact O-N 2.82Å; V367-R371 WeakPolarHBondContact O-CG 3.36Å; V367-R371 PolarHBondContact O-N 3.18Å |
| 368 | Q | 95.7 | Very high | 93.8 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 178.2 | -173.1 | 60.3 | 23.8 | 0 | 0 | 112.4 | K364 Q365 T366 L370 R371 C372 | K364-Q368 PolarHBondContact O-N 3.05Å; Q365-Q368 PolarHBondContact O-N 3.24Å; T366-Q368 VanDerWaalsContact C-N 3.34Å; T366-Q368 PolarHBondContact O-N 3.39Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-L370 PolarHBondContact O-N 3.38Å; Q368-R371 PolarHBondContact O-N 3.38Å; Q368-C372 PolarHBondContact O-N 3.34Å; Q368-C372 PolarHBondContact O-SG 3.48Å; Q368-C372 VanDerWaalsContact O-SG 3.36Å |
| 369 | Q | 93.6 | Very high | 93.8 | Very high | 128 Ų | 128 | 67 Ų | 67 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 175.2 | -71.7 | 174 | -5.7 | 0 | 0 | 112.6 | Q365 T366 V367 C372 S373 | Q365-Q369 WeakPolarHBondContact O-CG 3.32Å; Q365-Q369 PolarHBondContact O-N 2.97Å; T366-Q369 PolarHBondContact O-N 3.19Å; V367-Q369 PolarHBondContact O-N 2.85Å; Q369-C372 PolarHBondContact O-N 3.1Å; Q369-S373 PolarHBondContact O-N 2.78Å; Q369-S373 PolarHBondContact O-OG 3.32Å |
| 370 | L | 93.5 | Very high | 93.9 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.168 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 175.5 | -71.9 | 170.4 | 0 | 0 | 0 | 111.5 | T319 T322 L323 K326 T366 V367 Q368 C372 S373 E374 | T319-L370 HydrophobicContact CG2-CD2 4.18Å; T322-L370 HydrophobicContact CG2-CD1 4.07Å; L323-L370 HydrophobicContact CB-CB 4.4Å; L323-L370 HydrophobicContact CD1-CB 3.91Å; K326-L370 HydrophobicContact CB-CD1 4.46Å; K326-L370 HydrophobicContact CG-CD1 4.1Å; T366-L370 HydrophobicContact CG2-CD1 4.3Å; T366-L370 WeakPolarHBondContact O-CG 3.18Å; T366-L370 PolarHBondContact O-N 2.82Å; V367-L370 PolarHBondContact O-N 2.82Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-L370 PolarHBondContact O-N 3.38Å; L370-C372 VanDerWaalsContact C-N 3.35Å; L370-C372 PolarHBondContact O-N 3.08Å; L370-S373 PolarHBondContact O-N 3.34Å; L370-S373 VanDerWaalsContact O-N 3.16Å; L370-E374 WeakPolarHBondContact O-CB 3.49Å; L370-E374 PolarHBondContact O-N 3.19Å |
| 371 | R | 95.6 | Very high | 93.8 | Very high | 121 Ų | 121 | 70.6 Ų | 70.6 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 172.9 | -73.3 | -179.1 | 177.1 | -172.6 | -2.5 | 112.1 | L323 E327 V367 Q368 S373 E374 A375 | L323-R371 HydrophobicContact CD1-CG 3.81Å; L323-R371 HydrophobicContact CD2-CG 3.9Å; E327-R371 IonicContact OE1-CZ 2.78Å; E327-R371 IonicContact OE1-NE 2.74Å; E327-R371 PolarHBondContact OE1-NE 3.02Å; E327-R371 VanDerWaalsContact OE1-NE 3.13Å; E327-R371 IonicContact OE1-NH2 3.52Å; E327-R371 PolarHBondContact OE1-NH2 3.36Å; V367-R371 WeakPolarHBondContact O-CG 3.36Å; V367-R371 PolarHBondContact O-N 3.18Å; Q368-R371 PolarHBondContact O-N 3.38Å; R371-S373 VanDerWaalsContact C-N 3.33Å; R371-S373 PolarHBondContact O-N 3.11Å; R371-E374 PolarHBondContact O-N 3.08Å; R371-A375 WeakPolarHBondContact O-CB 3.41Å; R371-A375 PolarHBondContact O-N 2.84Å |
| 372 | C | 93.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -41 | 173.7 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | Q368 Q369 L370 A375 K376 | Q368-C372 PolarHBondContact O-N 3.34Å; Q368-C372 PolarHBondContact O-SG 3.48Å; Q368-C372 VanDerWaalsContact O-SG 3.36Å; Q369-C372 PolarHBondContact O-N 3.1Å; L370-C372 VanDerWaalsContact C-N 3.35Å; L370-C372 PolarHBondContact O-N 3.08Å; C372-A375 PolarHBondContact O-N 3.08Å; C372-K376 PolarHBondContact O-N 3.3Å |
| 373 | S | 92 | Very high | 93.7 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | Q369 L370 R371 K376 F377 | Q369-S373 PolarHBondContact O-N 2.78Å; Q369-S373 PolarHBondContact O-OG 3.32Å; L370-S373 PolarHBondContact O-N 3.34Å; L370-S373 VanDerWaalsContact O-N 3.16Å; R371-S373 VanDerWaalsContact C-N 3.33Å; R371-S373 PolarHBondContact O-N 3.11Å; S373-K376 WeakPolarHBondContact O-CB 3.42Å; S373-K376 PolarHBondContact O-N 2.97Å; S373-F377 WeakPolarHBondContact O-CD2 3.37Å; S373-F377 WeakPolarHBondContact O-CG 3.42Å; S373-F377 PolarHBondContact O-N 3.31Å |
| 374 | E | 94.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 173.6 | -177.6 | -169.9 | -167 | 0 | 0 | 111.2 | T319 Q320 L323 L370 R371 K376 F377 A378 | T319-E374 HydrophobicContact CG2-CB 4.31Å; Q320-E374 HydrophobicContact CG-CG 3.99Å; Q320-E374 WeakPolarHBondContact CG-OE1 3.41Å; Q320-E374 PolarHBondContact NE2-OE1 3.06Å; L323-E374 VanDerWaalsContact CD2-OE2 3.23Å; L323-E374 WeakPolarHBondContact CD2-OE2 3.27Å; L370-E374 WeakPolarHBondContact O-CB 3.49Å; L370-E374 PolarHBondContact O-N 3.19Å; R371-E374 PolarHBondContact O-N 3.08Å; E374-K376 VanDerWaalsContact C-N 3.29Å; E374-K376 PolarHBondContact O-N 3.06Å; E374-F377 PolarHBondContact O-N 2.73Å; E374-A378 WeakPolarHBondContact O-CB 3.44Å; E374-A378 PolarHBondContact O-N 3.43Å |
| 375 | A | 93.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 70.6 Ų | 70.6 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R371 C372 A378 A379 | R371-A375 WeakPolarHBondContact O-CB 3.41Å; R371-A375 PolarHBondContact O-N 2.84Å; C372-A375 PolarHBondContact O-N 3.08Å; A375-A378 PolarHBondContact O-N 3.48Å; A375-A379 PolarHBondContact O-N 3.4Å |
| 376 | K | 94.4 | Very high | 93 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.1 | -52 | 173.5 | 175.5 | -166.7 | 166.5 | -169.2 | 0 | 111.7 | C372 S373 E374 A378 A379 Q380 | C372-K376 PolarHBondContact O-N 3.3Å; S373-K376 WeakPolarHBondContact O-CB 3.42Å; S373-K376 PolarHBondContact O-N 2.97Å; E374-K376 VanDerWaalsContact C-N 3.29Å; E374-K376 PolarHBondContact O-N 3.06Å; K376-A378 VanDerWaalsContact C-N 3.32Å; K376-A378 PolarHBondContact O-N 3.27Å; K376-A379 PolarHBondContact O-N 2.98Å; K376-Q380 WeakPolarHBondContact O-CG 3.28Å; K376-Q380 PolarHBondContact O-N 2.9Å |
| 377 | F | 93.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67 | -34.7 | -179.2 | -67.1 | -53.7 | 0 | 0 | 0 | 112.3 | V312 E315 Q316 S373 E374 Q380 K381 | V312-F377 HydrophobicContact CG1-CB 4.4Å; V312-F377 HydrophobicContact CG1-CD1 4.37Å; E315-F377 HydrophobicContact CB-CE1 4.26Å; E315-F377 HydrophobicContact CB-CE2 4.37Å; E315-F377 HydrophobicContact CB-CZ 4.12Å; E315-F377 WeakPolarHBondContact OE2-CE1 3.49Å; E315-F377 WeakPolarHBondContact OE2-CZ 3.38Å; Q316-F377 HydrophobicContact CB-CB 3.94Å; Q316-F377 HydrophobicContact CG-CB 4.12Å; S373-F377 WeakPolarHBondContact O-CD2 3.37Å; S373-F377 WeakPolarHBondContact O-CG 3.42Å; S373-F377 PolarHBondContact O-N 3.31Å; E374-F377 PolarHBondContact O-N 2.73Å; F377-Q380 PolarHBondContact O-N 3.43Å; F377-K381 WeakPolarHBondContact O-CB 3.06Å; F377-K381 PolarHBondContact O-N 3.23Å |
| 378 | A | 92.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E374 A375 K376 Q380 K381 E382 | E374-A378 WeakPolarHBondContact O-CB 3.44Å; E374-A378 PolarHBondContact O-N 3.43Å; A375-A378 PolarHBondContact O-N 3.48Å; K376-A378 VanDerWaalsContact C-N 3.32Å; K376-A378 PolarHBondContact O-N 3.27Å; A378-Q380 PolarHBondContact O-N 3.29Å; A378-K381 PolarHBondContact O-N 3.48Å; A378-E382 WeakPolarHBondContact O-CB 3.26Å; A378-E382 PolarHBondContact O-N 3.29Å |
| 379 | A | 92.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A375 K376 L383 | A375-A379 PolarHBondContact O-N 3.4Å; K376-A379 PolarHBondContact O-N 2.98Å; A379-L383 PolarHBondContact O-N 2.73Å |
| 380 | Q | 92.1 | Very high | 91.2 | Very high | 81 Ų | 81 | 70.7 Ų | 70.7 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177 | -72 | -178.8 | -25.9 | 0 | 0 | 112.5 | V312 K376 F377 A378 L384 | V312-Q380 HydrophobicContact CG1-CB 4.26Å; K376-Q380 WeakPolarHBondContact O-CG 3.28Å; K376-Q380 PolarHBondContact O-N 2.9Å; F377-Q380 PolarHBondContact O-N 3.43Å; A378-Q380 PolarHBondContact O-N 3.29Å; Q380-L384 WeakPolarHBondContact O-CB 3.48Å; Q380-L384 WeakPolarHBondContact O-CG 3.43Å; Q380-L384 PolarHBondContact O-N 3.4Å; Q380-L384 VanDerWaalsContact O-N 3.13Å |
| 381 | K | 92.6 | Very high | 90.5 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.2 | 176.3 | -175.2 | 168.7 | -171.8 | 0 | 111 | L309 V312 I313 F377 A378 L383 L384 E385 | L309-K381 HydrophobicContact CD1-CG 4.2Å; V312-K381 HydrophobicContact CG1-CB 4.05Å; I313-K381 HydrophobicContact CG1-CD 3.92Å; I313-K381 HydrophobicContact CG1-CG 4.13Å; F377-K381 WeakPolarHBondContact O-CB 3.06Å; F377-K381 PolarHBondContact O-N 3.23Å; A378-K381 PolarHBondContact O-N 3.48Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 3.04Å; K381-L384 PolarHBondContact O-N 3.46Å; K381-L384 VanDerWaalsContact O-N 3.16Å; K381-E385 WeakPolarHBondContact CE-OE1 3.49Å; K381-E385 VanDerWaalsContact CE-OE2 3.23Å; K381-E385 WeakPolarHBondContact CE-OE2 3.32Å; K381-E385 HydrophobicContact CG-CG 3.95Å; K381-E385 IonicContact NZ-OE1 3.17Å; K381-E385 WeakPolarHBondContact O-CB 3.28Å; K381-E385 WeakPolarHBondContact O-CG 3.47Å; K381-E385 PolarHBondContact O-N 3.2Å |
| 382 | E | 92.6 | Very high | 89.5 | Confident | 137 Ų | 137 | 71.2 Ų | 71.2 | 64% | 0.64 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.3 | -47.5 | -179.9 | -177.1 | 175.4 | -169.6 | 0 | 0 | 111.3 | A378 L384 E385 Q386 | A378-E382 WeakPolarHBondContact O-CB 3.26Å; A378-E382 PolarHBondContact O-N 3.29Å; E382-L384 PolarHBondContact O-N 3.04Å; E382-E385 PolarHBondContact O-N 2.98Å; E382-Q386 WeakPolarHBondContact O-CB 3.44Å; E382-Q386 PolarHBondContact O-N 3.26Å |
| 383 | L | 91.6 | Very high | 88.2 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.2 | -170.4 | 67.8 | 0 | 0 | 0 | 112.7 | I295 A379 K381 K387 | I295-L383 HydrophobicContact CD1-CB 4.42Å; I295-L383 HydrophobicContact CD1-CD2 3.87Å; I295-L383 HydrophobicContact CD1-CG 3.7Å; I295-L383 HydrophobicContact CG1-CD2 4.08Å; I295-L383 HydrophobicContact CG1-CG 4.16Å; A379-L383 PolarHBondContact O-N 2.73Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 3.04Å; L383-K387 PolarHBondContact O-N 3.19Å |
| 384 | L | 89.3 | Confident | 87.4 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.2 | -44.6 | 178.5 | -77.2 | 165.1 | 0 | 0 | 0 | 112.4 | I295 L305 T308 L309 V312 Q380 K381 E382 K387 V388 | I295-L384 HydrophobicContact CD1-CD2 3.62Å; I295-L384 HydrophobicContact CD1-CG 3.96Å; L305-L384 HydrophobicContact CD2-CD2 3.86Å; T308-L384 HydrophobicContact CG2-CD1 4.23Å; L309-L384 HydrophobicContact CB-CB 4.27Å; L309-L384 HydrophobicContact CB-CD1 4.49Å; L309-L384 HydrophobicContact CD1-CB 3.81Å; L309-L384 HydrophobicContact CG-CB 4.48Å; V312-L384 HydrophobicContact CG2-CD1 4.24Å; Q380-L384 WeakPolarHBondContact O-CB 3.48Å; Q380-L384 WeakPolarHBondContact O-CG 3.43Å; Q380-L384 PolarHBondContact O-N 3.4Å; Q380-L384 VanDerWaalsContact O-N 3.13Å; K381-L384 PolarHBondContact O-N 3.46Å; K381-L384 VanDerWaalsContact O-N 3.16Å; E382-L384 PolarHBondContact O-N 3.04Å; L384-K387 PolarHBondContact O-N 3.1Å; L384-V388 WeakPolarHBondContact O-CG2 3.38Å; L384-V388 PolarHBondContact O-N 3.31Å |
| 385 | E | 90.3 | Very high | 86.2 | Confident | 72 Ų | 72 | 82 Ų | 82 | 34% | 0.336 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.7 | -75.2 | -173.5 | 153.6 | 0 | 0 | 111.1 | L309 K381 E382 K387 V388 Q389 | L309-E385 HydrophobicContact CD1-CG 3.56Å; L309-E385 HydrophobicContact CD2-CG 4.06Å; L309-E385 HydrophobicContact CG-CG 4.42Å; K381-E385 WeakPolarHBondContact CE-OE1 3.49Å; K381-E385 VanDerWaalsContact CE-OE2 3.23Å; K381-E385 WeakPolarHBondContact CE-OE2 3.32Å; K381-E385 HydrophobicContact CG-CG 3.95Å; K381-E385 IonicContact NZ-OE1 3.17Å; K381-E385 WeakPolarHBondContact O-CB 3.28Å; K381-E385 WeakPolarHBondContact O-CG 3.47Å; K381-E385 PolarHBondContact O-N 3.2Å; E382-E385 PolarHBondContact O-N 2.98Å; E385-K387 VanDerWaalsContact C-N 3.31Å; E385-K387 PolarHBondContact O-N 3.06Å; E385-V388 PolarHBondContact O-N 2.95Å; E385-Q389 WeakPolarHBondContact O-CB 3.48Å; E385-Q389 PolarHBondContact O-N 3.3Å |
| 386 | Q | 89.6 | Confident | 85.4 | Confident | 107 Ų | 107 | 81.3 Ų | 81.3 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 175.4 | -175.7 | -177.1 | -8.9 | 0 | 0 | 110.7 | E382 V388 Q389 E390 | E382-Q386 WeakPolarHBondContact O-CB 3.44Å; E382-Q386 PolarHBondContact O-N 3.26Å; Q386-V388 PolarHBondContact O-N 3.11Å; Q386-Q389 PolarHBondContact O-N 3.17Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.47Å; Q386-E390 PolarHBondContact NE2-OE1 3.12Å; Q386-E390 WeakPolarHBondContact O-CB 3.34Å; Q386-E390 VanDerWaalsContact O-CG 3.27Å; Q386-E390 WeakPolarHBondContact O-CG 3.38Å; Q386-E390 PolarHBondContact O-N 3.1Å |
| 387 | K | 86.7 | Confident | 84.5 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 19% | 0.187 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | -178.2 | -157.3 | 76.3 | -171.8 | -172 | 0 | 113.1 | E294 I295 L383 L384 E385 N391 | E294-K387 IonicContact OE2-NZ 3.9Å; I295-K387 HydrophobicContact CB-CB 4.43Å; I295-K387 HydrophobicContact CB-CD 4.42Å; I295-K387 HydrophobicContact CB-CG 4.09Å; I295-K387 HydrophobicContact CG2-CG 4.24Å; I295-K387 WeakPolarHBondContact O-CE 3.34Å; L383-K387 PolarHBondContact O-N 3.19Å; L384-K387 PolarHBondContact O-N 3.1Å; E385-K387 VanDerWaalsContact C-N 3.31Å; E385-K387 PolarHBondContact O-N 3.06Å; K387-N391 PolarHBondContact O-ND2 2.78Å |
| 388 | V | 84.9 | Confident | 83.3 | Confident | 27 Ų | 27 | 81.4 Ų | 81.4 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | W297 L309 L384 E385 Q386 N391 D392 | W297-V388 HydrophobicContact CH2-CG2 4.4Å; W297-V388 HydrophobicContact CZ3-CG2 3.86Å; L309-V388 HydrophobicContact CD2-CB 4.27Å; L309-V388 HydrophobicContact CD2-CG2 3.87Å; L384-V388 WeakPolarHBondContact O-CG2 3.38Å; L384-V388 PolarHBondContact O-N 3.31Å; E385-V388 PolarHBondContact O-N 2.95Å; Q386-V388 PolarHBondContact O-N 3.11Å; V388-N391 CarbonylContact O-C 3.56Å; V388-N391 PolarHBondContact O-N 3.14Å; V388-D392 PolarHBondContact O-N 3.01Å; V388-D392 VanDerWaalsContact O-N 3.09Å |
| 389 | Q | 84.8 | Confident | 82 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.1 | -37.9 | -177.4 | -168.9 | 170.3 | 20.3 | 0 | 0 | 112.9 | E385 Q386 N391 D392 | E385-Q389 WeakPolarHBondContact O-CB 3.48Å; E385-Q389 PolarHBondContact O-N 3.3Å; Q386-Q389 PolarHBondContact O-N 3.17Å; Q389-N391 PolarHBondContact O-N 3.14Å; Q389-N391 VanDerWaalsContact O-N 3.15Å; Q389-D392 PolarHBondContact O-N 2.5Å |
| 390 | E | 84.4 | Confident | 80.5 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.9 | -23.5 | 173.3 | -76.3 | 171.6 | -175.7 | 0 | 0 | 113.3 | Q386 K394 | Q386-E390 WeakPolarHBondContact CG-OE1 3.47Å; Q386-E390 PolarHBondContact NE2-OE1 3.12Å; Q386-E390 WeakPolarHBondContact O-CB 3.34Å; Q386-E390 VanDerWaalsContact O-CG 3.27Å; Q386-E390 WeakPolarHBondContact O-CG 3.38Å; Q386-E390 PolarHBondContact O-N 3.1Å; E390-K394 PolarHBondContact O-NZ 2.86Å |
| 391 | N | 79.2 | Confident | 78.3 | Confident | 32 Ų | 32 | 87.1 Ų | 87.1 | 17% | 0.171 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 8.4 | -174.8 | -64.9 | -71.5 | 0 | 0 | 0 | 113.7 | W297 K387 V388 Q389 G393 K394 | W297-N391 HydrophobicContact CD2-CB 4.12Å; W297-N391 HydrophobicContact CG-CB 4.19Å; W297-N391 HydrophobicContact CZ2-CB 4.17Å; K387-N391 PolarHBondContact O-ND2 2.78Å; V388-N391 CarbonylContact O-C 3.56Å; V388-N391 PolarHBondContact O-N 3.14Å; Q389-N391 PolarHBondContact O-N 3.14Å; Q389-N391 VanDerWaalsContact O-N 3.15Å; N391-G393 PolarHBondContact O-N 3.03Å; N391-K394 PolarHBondContact O-N 3.25Å |
| 392 | D | 74.6 | Confident | 76.1 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 71% | 0.706 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 133.3 | 179.3 | -167.3 | 22.6 | 0 | 0 | 0 | 111.4 | V388 Q389 K394 | V388-D392 PolarHBondContact O-N 3.01Å; V388-D392 VanDerWaalsContact O-N 3.09Å; Q389-D392 PolarHBondContact O-N 2.5Å; D392-K394 VanDerWaalsContact C-N 3.25Å; D392-K394 PolarHBondContact O-N 3.32Å |
| 393 | G | 66.6 | Low | 73.5 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 84% | 0.835 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 4.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N391 | N391-G393 PolarHBondContact O-N 3.03Š|
| 394 | K | 74.3 | Confident | 71.1 | Confident | 132 Ų | 132 | 102.2 Ų | 102.2 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -102.9 | 137.2 | 174 | -61.2 | 175.3 | -171.4 | 156.7 | 0 | 110.4 | E390 N391 D392 | E390-K394 PolarHBondContact O-NZ 2.86Å; N391-K394 PolarHBondContact O-N 3.25Å; D392-K394 VanDerWaalsContact C-N 3.25Å; D392-K394 PolarHBondContact O-N 3.32Å |
| 395 | E | 69.8 | Low | 68.4 | Low | 185 Ų | 185 | 109.6 Ų | 109.6 | 86% | 0.864 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133.5 | 170.2 | -81.6 | -173.7 | 166 | 0 | 0 | 109.8 | ||
| 396 | P | 76.9 | Confident | 65.8 | Low | 48 Ų | 48 | 110.2 Ų | 110.2 | 31% | 0.312 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 130.9 | 180 | -21 | 30.9 | 0 | 0 | 0 | 110.5 | N299 A302 | N299-P396 HydrophobicContact CB-CB 4.25Å; A302-P396 HydrophobicContact CB-CB 4.03Å; A302-P396 HydrophobicContact CB-CG 3.8Å |
| 397 | P | 75.1 | Confident | 63.1 | Low | 69 Ų | 69 | 116.5 Ų | 116.5 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 134 | -178.5 | 20.7 | -29.6 | 0 | 0 | 0 | 110.4 | W297 N298 N299 | W297-P397 WeakPolarHBondContact O-CG 3.5Å; N298-P397 WeakPolarHBondContact CA-O 3.49Å; N298-P397 WeakPolarHBondContact CB-O 3.35Å; N299-P397 PolarHBondContact N-O 3.23Å |
| 398 | P | 69.3 | Low | 60.5 | Low | 76 Ų | 76 | 119.7 Ų | 119.7 | 49% | 0.494 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 137.9 | 176.8 | 26.9 | -31.9 | 0 | 0 | 0 | 110.7 | V400 | P398-V400 VanDerWaalsContact C-N 3.28Å; P398-V400 PolarHBondContact O-N 2.89Å |
| 399 | V | 65.9 | Low | 57.9 | Low | 73 Ų | 73 | 124 Ų | 124 | 44% | 0.442 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -65.5 | -28.3 | -178.5 | 174.9 | 0 | 0 | 0 | 0 | 113.1 | N298 N299 L300 | N298-V399 HydrophobicContact CB-CG2 3.82Å; N298-V399 VanDerWaalsContact CG-CG2 3.42Å; N298-V399 WeakPolarHBondContact ND2-CG2 3.36Å; N299-V399 WeakPolarHBondContact OD1-CG2 3.46Å; N299-V399 PolarHBondContact OD1-N 2.98Å; L300-V399 HydrophobicContact CD1-CB 4.26Å; L300-V399 HydrophobicContact CD1-CG1 4.47Å; L300-V399 HydrophobicContact CD1-CG2 3.76Å; L300-V399 HydrophobicContact CG-CG2 3.83Å |
| 400 | V | 59.6 | Low | 55.4 | Low | 78 Ų | 78 | 122.8 Ų | 122.8 | 47% | 0.473 | 66% | 0.661 | S | S | . | * | trans | -147.9 | 129.6 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | P398 Y402 | P398-V400 VanDerWaalsContact C-N 3.28Å; P398-V400 PolarHBondContact O-N 2.89Å; V400-Y402 HydrophobicContact CB-CD2 4.16Å; V400-Y402 HydrophobicContact CB-CE2 3.71Å; V400-Y402 HydrophobicContact CG1-CD1 4.43Å; V400-Y402 HydrophobicContact CG1-CD2 3.95Å; V400-Y402 HydrophobicContact CG1-CE1 4.12Å; V400-Y402 HydrophobicContact CG1-CE2 3.62Å; V400-Y402 HydrophobicContact CG1-CG 4.35Å; V400-Y402 HydrophobicContact CG2-CE2 4.38Å; V400-Y402 PolarHBondContact O-N 3.38Å | ||
| 401 | N | 47.1 | Very low | 52.7 | Low | 145 Ų | 145 | 123.7 Ų | 123.7 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | trans | -81.6 | 105.1 | 164.2 | -89.9 | -11 | 0 | 0 | 0 | 108.6 | ||||
| 402 | Y | 46.4 | Very low | 50.2 | Low | 202 Ų | 202 | 130.3 Ų | 130.3 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 117.2 | 163.2 | -68 | -79.4 | 0 | 0 | 0 | 107.8 | V400 E404 | V400-Y402 HydrophobicContact CB-CD2 4.16Å; V400-Y402 HydrophobicContact CB-CE2 3.71Å; V400-Y402 HydrophobicContact CG1-CD1 4.43Å; V400-Y402 HydrophobicContact CG1-CD2 3.95Å; V400-Y402 HydrophobicContact CG1-CE1 4.12Å; V400-Y402 HydrophobicContact CG1-CE2 3.62Å; V400-Y402 HydrophobicContact CG1-CG 4.35Å; V400-Y402 HydrophobicContact CG2-CE2 4.38Å; V400-Y402 PolarHBondContact O-N 3.38Å; Y402-E404 PolarHBondContact O-N 3.36Å |
| 403 | E | 37.8 | Very low | 48.1 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.4 | 171.5 | -74.2 | -175.1 | 154.3 | 0 | 0 | 110.1 | ||
| 404 | E | 40.1 | Very low | 46.3 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 131.3 | 177 | -71.1 | -176.5 | 146.4 | 0 | 0 | 110.9 | Y402 | Y402-E404 PolarHBondContact O-N 3.36Š|
| 405 | D | 33.1 | Very low | 44.2 | Very low | 169 Ų | 169 | 135 Ų | 135 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -135.9 | 137.6 | 159.4 | -129 | -13.8 | 0 | 0 | 0 | 112 | ||||
| 406 | A | 35.7 | Very low | 42.2 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | trans | -84.8 | 162.7 | -155.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 407 | R | 32.9 | Very low | 40 | Very low | 239 Ų | 239 | 137.8 Ų | 137.8 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | 106.5 | 105.8 | 153.3 | -60 | 179.4 | 179.6 | 175 | 2.1 | 118.5 | ||||
| 408 | S | 31.6 | Very low | 37.8 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | 73.2 | 146.5 | 117.4 | -148 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 409 | V | 31 | Very low | 35.8 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | 74.7 | 107.7 | 159 | -106.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 410 | T | 31.2 | Very low | 34.1 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | 40.8 | 137.8 | 129.8 | 60.8 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 411 | S | 28.2 | Very low | 32.6 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | 116.3 | 120 | 129.2 | 114.3 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 412 | M | 27.9 | Very low | 31.6 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | 41.2 | 117.5 | 136 | -68.8 | -173.6 | 74.6 | 0 | 0 | 121.9 | ||||
| 413 | D | 28.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 147 Ų | 147 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | 70.7 | 119.4 | 119.5 | -124.7 | 15.7 | 0 | 0 | 0 | 121.5 | |||||
| 414 | K | 30.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 145 Ų | 145 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | trans | 74.2 | 123.3 | 142.7 | -77.5 | 172.7 | -171.1 | 126.9 | 0 | 122.8 | ||||
| 415 | K | 29 | Very low | 29.6 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 74% | 0.735 | 75% | 0.753 | S | S | * | * | 115.1 | 135.6 | 112.1 | -103.2 | -176.9 | 173.9 | -172.2 | 0 | 119.2 | |||||
| 416 | D | 28.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | 67 | 144.7 | 149.4 | -64 | -34.9 | 0 | 0 | 0 | 117 | ||||
| 417 | K | 30.3 | Very low | 29 | Very low | 172 Ų | 172 | 148 Ų | 148 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -172.7 | 141.9 | -7.5 | -111.9 | -178.1 | -178.7 | 175.2 | 0 | 106.7 | ||||
| 418 | V | 29.2 | Very low | 28.7 | Very low | 120 Ų | 120 | 145 Ų | 145 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 122.3 | 135.2 | -177.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 419 | S | 28.3 | Very low | 28.5 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | 176.6 | 123.3 | 105.3 | -178.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 420 | R | 30.1 | Very low | 28.2 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 38.2 | 132.7 | 138.4 | -49.7 | 174.8 | -156.9 | 148.9 | 7.3 | 119.3 | ||||
| 421 | F | 26.9 | Very low | 28.1 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | -153.1 | 133.8 | 53 | -105.4 | -104.9 | 0 | 0 | 0 | 107.5 | |||||
| 422 | D | 27 | Very low | 28.2 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | 63.4 | 137.8 | 93.4 | -83.5 | -7.2 | 0 | 0 | 0 | 113 | |||||
| 423 | T | 25.8 | Very low | 28.2 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -169.7 | 142.1 | 5 | -53.1 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 424 | I | 27.8 | Very low | 28.1 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 167.5 | 120.1 | 93 | -74.6 | 169.3 | 0 | 0 | 0 | 104.9 | |||||
| 425 | R | 27.5 | Very low | 28.1 | Very low | 250 Ų | 250 | 148.2 Ų | 148.2 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | -148.2 | 99.6 | 160.3 | -137.2 | -176.5 | -155.8 | 160.3 | 5.6 | 109.2 | ||||
| 426 | H | 31.6 | Very low | 28 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 158 | 161.5 | -80.7 | -62.1 | 0 | 0 | 0 | 108.1 | ||||
| 427 | S | 25.6 | Very low | 27.9 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | cis | -180 | 109.2 | -23.8 | -95.5 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 428 | I | 27.2 | Very low | 27.7 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -145.9 | 101.4 | 160.1 | -55.7 | -177.6 | 0 | 0 | 0 | 108.9 | ||||
| 429 | A | 26 | Very low | 27.5 | Very low | 105 Ų | 105 | 153 Ų | 153 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -162.6 | 104.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 430 | G | 26.3 | Very low | 27.2 | Very low | 70 Ų | 70 | 152.1 Ų | 152.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -130.3 | 98.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 431 | I | 29.1 | Very low | 26.9 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | 63.7 | 106.2 | 137.4 | -49.4 | 169.4 | 0 | 0 | 0 | 118.9 | ||||
| 432 | I | 29.1 | Very low | 26.7 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -115.9 | 117.9 | 145.7 | -63.3 | 176 | 0 | 0 | 0 | 107.6 | ||||
| 433 | R | 28.9 | Very low | 26.6 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -109.8 | 130.3 | 168.6 | -100.2 | -177.7 | 175.9 | 171.8 | -0.5 | 108.8 | ||||
| 434 | S | 26.8 | Very low | 26.6 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 151.1 | 165.5 | 56.2 | 0 | 0 | 0 | 0 | 111 | ||
| 435 | P | 29.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 137.9 | 166.5 | 13.6 | 5.7 | 0 | 0 | 0 | 112.4 | ||
| 436 | K | 27.1 | Very low | 26.6 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 152.8 | 165.9 | -85.7 | -178.8 | 177 | 175 | 0 | 111.4 | ||
| 437 | S | 26.9 | Very low | 26.9 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -34.7 | 144 | 170.8 | 59.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 438 | M | 25.8 | Very low | 27.5 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | -137 | 121.2 | 143.6 | -87.4 | -164.8 | 166.3 | 0 | 0 | 110.1 | ||||
| 439 | L | 25 | Very low | 28.6 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 142.1 | 159 | -99.7 | 89.9 | 0 | 0 | 0 | 108.8 | ||||
| 440 | G | 22.2 | Very low | 30.3 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -167.2 | 99.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 441 | S | 23.9 | Very low | 32 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | 56.8 | 103.2 | 154.2 | 65.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 442 | S | 22.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -84.3 | 124.2 | 151.5 | 45 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 443 | S | 24.5 | Very low | 36.7 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -105.9 | 119.4 | 161.2 | 57.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 444 | F | 25.6 | Very low | 39.5 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -76.9 | 122.2 | 176 | -84.6 | -101.9 | 0 | 0 | 0 | 109.3 | ||||
| 445 | F | 26.1 | Very low | 42.4 | Very low | 183 Ų | 183 | 118.8 Ų | 118.8 | 80% | 0.803 | 67% | 0.668 | S | S | * | * | trans | -133.9 | 130.3 | 150.9 | -87.6 | -79.7 | 0 | 0 | 0 | 107.8 | V447 | F445-V447 WeakPolarHBondContact O-CG2 3.47Å; F445-V447 PolarHBondContact O-N 2.91Å | ||
| 446 | D | 30.3 | Very low | 45.1 | Very low | 171 Ų | 171 | 115.3 Ų | 115.3 | 91% | 0.914 | 65% | 0.651 | S | S | * | * | trans | -53.2 | 122.4 | -174.7 | -68.5 | -53.2 | 0 | 0 | 0 | 112.6 | ||||
| 447 | V | 36.2 | Very low | 48 | Very low | 120 Ų | 120 | 111.1 Ų | 111.1 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -109.9 | 114.2 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | F445 S449 | F445-V447 WeakPolarHBondContact O-CG2 3.47Å; F445-V447 PolarHBondContact O-N 2.91Å; V447-S449 PolarHBondContact O-N 3.2Å | ||
| 448 | I | 38.6 | Very low | 51 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 61% | 0.605 | 60% | 0.602 | S | S | * | * | trans | -52.7 | 125.7 | 158.2 | -62.4 | 167.5 | 0 | 0 | 0 | 107.4 | T450 | I448-T450 PolarHBondContact O-N 3.27Å; I448-T450 VanDerWaalsContact O-N 3.16Å | ||
| 449 | S | 50.8 | Low | 54.1 | Low | 56 Ų | 56 | 99.9 Ų | 99.9 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | trans | -50.2 | 122.1 | -178.6 | -174 | 0 | 0 | 0 | 0 | 110.8 | V447 T451 E452 | V447-S449 PolarHBondContact O-N 3.2Å; S449-T451 PolarHBondContact O-N 3.46Å; S449-T451 PolarHBondContact OG-OG1 3.36Å; S449-E452 PolarHBondContact O-N 3.41Å; S449-E452 VanDerWaalsContact O-N 3.1Å | ||
| 450 | T | 61.3 | Low | 57.3 | Low | 76 Ų | 76 | 92.8 Ų | 92.8 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -58.2 | -22 | -176.2 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | I448 Q458 | I448-T450 PolarHBondContact O-N 3.27Å; I448-T450 VanDerWaalsContact O-N 3.16Å; T450-Q458 PolarHBondContact O-NE2 3.22Å |
| 451 | T | 63.4 | Low | 60.7 | Low | 28 Ų | 28 | 90.1 Ų | 90.1 | 17% | 0.172 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -74.9 | -18 | 179.1 | 45.2 | 0 | 0 | 0 | 0 | 115.1 | S449 D529 | S449-T451 PolarHBondContact O-N 3.46Å; S449-T451 PolarHBondContact OG-OG1 3.36Å; T451-D529 HydrophobicContact CG2-CB 3.4Å; T451-D529 VanDerWaalsContact CG2-CB 3.4Å; T451-D529 WeakPolarHBondContact CG2-OD2 3.48Å |
| 452 | E | 72.9 | Confident | 64 | Low | 155 Ų | 155 | 84.7 Ų | 84.7 | 72% | 0.724 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -85.7 | -16.2 | 179.4 | -65.5 | -175 | 163.5 | 0 | 0 | 112.8 | S449 | S449-E452 PolarHBondContact O-N 3.41Å; S449-E452 VanDerWaalsContact O-N 3.1Å |
| 453 | K | 83.3 | Confident | 67.3 | Low | 84 Ų | 84 | 79.7 Ų | 79.7 | 37% | 0.365 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -72.1 | 137.4 | 179.5 | -67.2 | -176.2 | -177.8 | 178.4 | 0 | 111.3 | E457 Q458 | K453-E457 HydrophobicContact CB-CB 4.25Å; K453-Q458 PolarHBondContact O-NE2 3.3Å |
| 454 | P | 86.6 | Confident | 70.3 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | trans | -52.7 | 151.8 | 172.2 | -25 | 33.4 | 0 | 0 | 0 | 112.4 | A456 E457 Q458 | P454-A456 VanDerWaalsContact C-N 3.25Å; P454-A456 PolarHBondContact O-N 3.31Å; P454-A456 VanDerWaalsContact O-N 3.16Å; P454-E457 WeakPolarHBondContact O-CB 3.43Å; P454-E457 PolarHBondContact O-N 3.39Å; P454-Q458 PolarHBondContact O-N 3.31Å | ||
| 455 | L | 89.3 | Confident | 73.3 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -52.8 | -41.2 | -177.5 | 179.1 | 62.2 | 0 | 0 | 0 | 113.1 | E457 Q458 W460 Y461 Y492 I524 P525 | L455-E457 PolarHBondContact O-N 3.02Å; L455-Q458 HydrophobicContact CD1-CG 4.45Å; L455-Q458 VanDerWaalsContact O-CB 3.31Å; L455-Q458 WeakPolarHBondContact O-CB 3.36Å; L455-Q458 WeakPolarHBondContact O-CG 3.43Å; L455-Q458 PolarHBondContact O-N 3.28Å; L455-Q458 VanDerWaalsContact O-N 3.09Å; L455-W460 HydrophobicContact CD1-CH2 3.86Å; L455-W460 HydrophobicContact CD1-CZ3 3.8Å; L455-Y461 HydrophobicContact CD1-CD2 3.8Å; L455-Y461 HydrophobicContact CD1-CE2 4.4Å; L455-Y461 HydrophobicContact CD1-CG 3.99Å; L455-Y461 HydrophobicContact CD2-CD2 4.18Å; L455-Y461 HydrophobicContact CD2-CE2 3.93Å; L455-Y461 HydrophobicContact CG-CD1 4.27Å; L455-Y461 HydrophobicContact CG-CD2 3.82Å; L455-Y461 HydrophobicContact CG-CE1 4.41Å; L455-Y461 HydrophobicContact CG-CE2 4Å; L455-Y461 HydrophobicContact CG-CG 3.95Å; L455-Y461 VanDerWaalsContact O-CB 3.31Å; L455-Y461 WeakPolarHBondContact O-CB 3.1Å; L455-Y461 WeakPolarHBondContact O-CD1 3.35Å; L455-Y492 HydrophobicContact CD2-CD1 3.83Å; L455-Y492 HydrophobicContact CD2-CE1 3.46Å; L455-Y492 VanDerWaalsContact CD2-CE1 3.46Å; L455-Y492 HydrophobicContact CD2-CE2 4.46Å; L455-Y492 HydrophobicContact CD2-CG 4.48Å; L455-I524 HydrophobicContact CD1-CB 4.13Å; L455-I524 HydrophobicContact CD1-CG2 3.82Å; L455-I524 HydrophobicContact CD2-CB 4.36Å; L455-I524 HydrophobicContact CD2-CD1 3.86Å; L455-P525 HydrophobicContact CD1-CG 4.5Å |
| 456 | A | 85.8 | Confident | 76.1 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -61 | -27.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P454 K552 | P454-A456 VanDerWaalsContact C-N 3.25Å; P454-A456 PolarHBondContact O-N 3.31Å; P454-A456 VanDerWaalsContact O-N 3.16Å; A456-K552 PolarHBondContact O-NZ 2.93Å |
| 457 | E | 86.8 | Confident | 78.8 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -87.6 | -10.9 | -179.9 | -66.2 | -177.5 | -160.4 | 0 | 0 | 112.9 | K453 P454 L455 | K453-E457 HydrophobicContact CB-CB 4.25Å; P454-E457 WeakPolarHBondContact O-CB 3.43Å; P454-E457 PolarHBondContact O-N 3.39Å; L455-E457 PolarHBondContact O-N 3.02Å |
| 458 | Q | 90.1 | Very high | 81.2 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -63.9 | 138.5 | 177.8 | -61.8 | -64.6 | -25.4 | 0 | 0 | 110.8 | T450 K453 P454 L455 W460 Y461 P525 K552 | T450-Q458 PolarHBondContact O-NE2 3.22Å; K453-Q458 PolarHBondContact O-NE2 3.3Å; P454-Q458 PolarHBondContact O-N 3.31Å; L455-Q458 HydrophobicContact CD1-CG 4.45Å; L455-Q458 VanDerWaalsContact O-CB 3.31Å; L455-Q458 WeakPolarHBondContact O-CB 3.36Å; L455-Q458 WeakPolarHBondContact O-CG 3.43Å; L455-Q458 PolarHBondContact O-N 3.28Å; L455-Q458 VanDerWaalsContact O-N 3.09Å; Q458-W460 VanDerWaalsContact C-N 3.33Å; Q458-W460 HydrophobicContact CB-CD2 4.07Å; Q458-W460 HydrophobicContact CB-CE3 4.38Å; Q458-W460 HydrophobicContact CB-CH2 4.19Å; Q458-W460 HydrophobicContact CB-CZ2 3.87Å; Q458-W460 HydrophobicContact CB-CZ3 4.41Å; Q458-W460 HydrophobicContact CG-CH2 3.94Å; Q458-W460 HydrophobicContact CG-CZ2 3.62Å; Q458-Y461 PolarHBondContact O-N 3.19Å; Q458-P525 HydrophobicContact CG-CB 4.43Å; Q458-P525 HydrophobicContact CG-CG 3.93Å; Q458-K552 PolarHBondContact O-NZ 2.89Å | ||
| 459 | D | 90.7 | Very high | 83.4 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -26.9 | -177.3 | -76.8 | -25.9 | 0 | 0 | 0 | 112.2 | V551 K552 K554 | D459-V551 HydrophobicContact CB-CB 4.41Å; D459-V551 HydrophobicContact CB-CG1 4.13Å; D459-V551 CarbonylContact O-C 3.52Å; D459-V551 WeakPolarHBondContact O-CA 3.18Å; D459-K552 PolarHBondContact O-N 3.46Å; D459-K554 VanDerWaalsContact CG-NZ 3.27Å; D459-K554 WeakPolarHBondContact OD1-CE 3.36Å; D459-K554 IonicContact OD1-NZ 2.88Å; D459-K554 PolarHBondContact OD1-NZ 3.24Å; D459-K554 IonicContact OD2-NZ 2.93Å; D459-K554 PolarHBondContact OD2-NZ 2.93Å |
| 460 | W | 93.6 | Very high | 85.3 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.8 | 175.7 | 49 | -100.6 | 0 | 0 | 0 | 113.7 | L455 Q458 H462 F480 V482 I524 P525 I528 P549 V550 | L455-W460 HydrophobicContact CD1-CH2 3.86Å; L455-W460 HydrophobicContact CD1-CZ3 3.8Å; Q458-W460 VanDerWaalsContact C-N 3.33Å; Q458-W460 HydrophobicContact CB-CD2 4.07Å; Q458-W460 HydrophobicContact CB-CE3 4.38Å; Q458-W460 HydrophobicContact CB-CH2 4.19Å; Q458-W460 HydrophobicContact CB-CZ2 3.87Å; Q458-W460 HydrophobicContact CB-CZ3 4.41Å; Q458-W460 HydrophobicContact CG-CH2 3.94Å; Q458-W460 HydrophobicContact CG-CZ2 3.62Å; W460-H462 PolarHBondContact O-CD2 3.35Å; W460-F480 HydrophobicContact CG-CE2 4.44Å; W460-V482 HydrophobicContact CE3-CB 3.71Å; W460-V482 HydrophobicContact CE3-CG2 3.58Å; W460-V482 HydrophobicContact CH2-CG2 4.49Å; W460-V482 HydrophobicContact CZ3-CB 3.57Å; W460-V482 HydrophobicContact CZ3-CG1 4.28Å; W460-V482 HydrophobicContact CZ3-CG2 3.38Å; W460-V482 PolarHBondContact O-N 3.44Å; W460-I524 HydrophobicContact CH2-CG2 4.2Å; W460-I524 HydrophobicContact CZ3-CG2 4.35Å; W460-P525 HydrophobicContact CH2-CG 4.45Å; W460-P525 HydrophobicContact CZ2-CB 4.37Å; W460-I528 HydrophobicContact CD2-CG2 4.47Å; W460-I528 HydrophobicContact CH2-CB 3.95Å; W460-I528 HydrophobicContact CH2-CG1 3.75Å; W460-I528 HydrophobicContact CH2-CG2 4.2Å; W460-I528 HydrophobicContact CZ2-CB 4.05Å; W460-I528 HydrophobicContact CZ2-CG1 4.36Å; W460-I528 HydrophobicContact CZ2-CG2 4.01Å; W460-I528 HydrophobicContact CZ3-CB 4.5Å; W460-I528 HydrophobicContact CZ3-CG1 3.95Å; W460-P549 HydrophobicContact CB-CB 4.01Å; W460-P549 HydrophobicContact CG-CB 4.42Å; W460-V550 WeakPolarHBondContact CA-O 3.39Å |
| 461 | Y | 93.8 | Very high | 86.7 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 120.2 | 172.1 | -179.6 | -111.1 | 0 | 0 | 0 | 110.1 | L455 Q458 V482 Y492 | L455-Y461 HydrophobicContact CD1-CD2 3.8Å; L455-Y461 HydrophobicContact CD1-CE2 4.4Å; L455-Y461 HydrophobicContact CD1-CG 3.99Å; L455-Y461 HydrophobicContact CD2-CD2 4.18Å; L455-Y461 HydrophobicContact CD2-CE2 3.93Å; L455-Y461 HydrophobicContact CG-CD1 4.27Å; L455-Y461 HydrophobicContact CG-CD2 3.82Å; L455-Y461 HydrophobicContact CG-CE1 4.41Å; L455-Y461 HydrophobicContact CG-CE2 4Å; L455-Y461 HydrophobicContact CG-CG 3.95Å; L455-Y461 VanDerWaalsContact O-CB 3.31Å; L455-Y461 WeakPolarHBondContact O-CB 3.1Å; L455-Y461 WeakPolarHBondContact O-CD1 3.35Å; Q458-Y461 PolarHBondContact O-N 3.19Å; Y461-V482 WeakPolarHBondContact CA-O 3.28Å; Y461-V482 HydrophobicContact CD2-CB 4.26Å; Y461-V482 HydrophobicContact CD2-CG1 4.03Å; Y461-V482 WeakPolarHBondContact CD2-O 3.45Å; Y461-V482 HydrophobicContact CE2-CG1 4.44Å; Y461-Y492 HydrophobicContact CE2-CD1 4.04Å; Y461-Y492 HydrophobicContact CE2-CE1 4.05Å |
| 462 | H | 92.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.06 | 24% | 0.243 | C | C | . | . | trans | -106.6 | 8 | -175.4 | -69.3 | -111.5 | 0 | 0 | 0 | 113.1 | W460 I465 V482 V550 | W460-H462 PolarHBondContact O-CD2 3.35Å; H462-I465 HydrophobicContact CB-CD1 3.42Å; H462-I465 VanDerWaalsContact CB-CD1 3.42Å; H462-I465 HydrophobicContact CB-CG1 3.63Å; H462-I465 HydrophobicContact CB-CG2 4.3Å; H462-I465 WeakPolarHBondContact O-CG2 3.47Å; H462-V482 PolarHBondContact N-O 3.38Å; H462-V550 PolarHBondContact NE2-O 3.03Å | ||
| 463 | G | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | -135.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I465 R483 E484 T628 Q629 | G463-I465 VanDerWaalsContact C-N 3.29Å; G463-I465 PolarHBondContact O-N 2.72Å; G463-R483 CarbonylContact O-C 3.49Å; G463-R483 VanDerWaalsContact O-CA 3.29Å; G463-R483 WeakPolarHBondContact O-CA 3.31Å; G463-R483 VanDerWaalsContact O-CB 3.29Å; G463-R483 WeakPolarHBondContact O-CB 3.46Å; G463-E484 PolarHBondContact O-N 3.21Å; G463-T628 CarbonylContact C-O 3.56Å; G463-Q629 WeakPolarHBondContact CA-O 3.44Å |
| 464 | A | 88.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 29.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | H486 T628 Q631 | A464-H486 PolarHBondContact O-CE1 3.03Å; A464-H486 VanDerWaalsContact O-CE1 3.26Å; A464-H486 PolarHBondContact O-NE2 3.02Å; A464-T628 PolarHBondContact N-O 3.1Å; A464-Q631 HydrophobicContact CB-CG 4.04Å |
| 465 | I | 87.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | trans | -65.4 | 137.1 | 177.5 | 56.9 | 160.9 | 0 | 0 | 0 | 112.7 | H462 G463 E469 A470 L473 L481 R483 H486 T628 | H462-I465 HydrophobicContact CB-CD1 3.42Å; H462-I465 VanDerWaalsContact CB-CD1 3.42Å; H462-I465 HydrophobicContact CB-CG1 3.63Å; H462-I465 HydrophobicContact CB-CG2 4.3Å; H462-I465 WeakPolarHBondContact O-CG2 3.47Å; G463-I465 VanDerWaalsContact C-N 3.29Å; G463-I465 PolarHBondContact O-N 2.72Å; I465-E469 HydrophobicContact CB-CB 4.46Å; I465-A470 HydrophobicContact CD1-CB 3.94Å; I465-L473 HydrophobicContact CD1-CD1 3.92Å; I465-L481 HydrophobicContact CD1-CD1 4.16Å; I465-L481 HydrophobicContact CD1-CD2 4.39Å; I465-R483 HydrophobicContact CG1-CB 4.06Å; I465-H486 PolarHBondContact O-CE1 3.36Å; I465-T628 HydrophobicContact CG2-CG2 4.02Å | ||
| 466 | P | 85.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -49.1 | 149 | 172.2 | -35.7 | 41.7 | 0 | 0 | 0 | 114.8 | I468 E469 A470 H486 Q599 I603 L606 | P466-I468 PolarHBondContact O-N 3.39Å; P466-E469 HydrophobicContact CB-CB 4.22Å; P466-E469 HydrophobicContact CB-CG 4.01Å; P466-E469 HydrophobicContact CG-CG 4.19Å; P466-E469 PolarHBondContact O-N 3.15Å; P466-E469 VanDerWaalsContact O-N 3.15Å; P466-A470 PolarHBondContact O-N 2.92Å; P466-H486 WeakPolarHBondContact CA-NE2 3.35Å; P466-Q599 VanDerWaalsContact CB-NE2 3.31Å; P466-I603 HydrophobicContact CB-CG1 4.34Å; P466-L606 HydrophobicContact CG-CD1 3.8Å | ||
| 467 | R | 87.2 | Confident | 89.9 | Confident | 131 Ų | 131 | 50.7 Ų | 50.7 | 49% | 0.494 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -52.1 | -43.1 | 173.5 | -179.7 | 179.1 | 178.3 | 178.4 | -3.3 | 112.6 | A470 Q471 H504 | R467-A470 WeakPolarHBondContact O-CB 3.37Å; R467-A470 PolarHBondContact O-N 3.35Å; R467-Q471 WeakPolarHBondContact O-CG 3.18Å; R467-Q471 PolarHBondContact O-N 2.96Å; R467-H504 PolarHBondContact NE-CD2 3.01Å; R467-H504 PolarHBondContact NE-NE2 2.89Å; R467-H504 PolarHBondContact NH2-CD2 2.95Å; R467-H504 VanDerWaalsContact NH2-CD2 3.32Å |
| 468 | I | 85.5 | Confident | 90 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.8 | -42 | -178.7 | -73 | 174.5 | 0 | 0 | 0 | 110.8 | P466 A470 Q471 E472 I603 | P466-I468 PolarHBondContact O-N 3.39Å; I468-A470 VanDerWaalsContact C-N 3.3Å; I468-A470 PolarHBondContact O-N 3.04Å; I468-Q471 WeakPolarHBondContact O-CB 3.45Å; I468-Q471 PolarHBondContact O-N 3.1Å; I468-E472 WeakPolarHBondContact O-CG 3.39Å; I468-E472 PolarHBondContact O-N 3.27Å; I468-E472 VanDerWaalsContact O-N 3.09Å; I468-I603 HydrophobicContact CB-CD1 3.76Å; I468-I603 HydrophobicContact CB-CG1 4.15Å; I468-I603 HydrophobicContact CD1-CD1 3.27Å; I468-I603 HydrophobicContact CG1-CD1 3.93Å; I468-I603 HydrophobicContact CG2-CD1 4.15Å; I468-I603 HydrophobicContact CG2-CG1 4.43Å; I468-I603 HydrophobicContact CG2-CG2 4.37Å |
| 469 | E | 85.6 | Confident | 90.3 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 173.2 | -69.4 | -67.6 | 159.7 | 0 | 0 | 111.8 | I465 P466 Q471 E472 L473 L606 | I465-E469 HydrophobicContact CB-CB 4.46Å; P466-E469 HydrophobicContact CB-CB 4.22Å; P466-E469 HydrophobicContact CB-CG 4.01Å; P466-E469 HydrophobicContact CG-CG 4.19Å; P466-E469 PolarHBondContact O-N 3.15Å; P466-E469 VanDerWaalsContact O-N 3.15Å; E469-Q471 VanDerWaalsContact C-N 3.29Å; E469-Q471 PolarHBondContact O-N 3.22Å; E469-E472 PolarHBondContact O-N 3.27Å; E469-L473 WeakPolarHBondContact O-CG 3.45Å; E469-L473 PolarHBondContact O-N 3.45Å; E469-L606 HydrophobicContact CG-CB 4.35Å; E469-L606 HydrophobicContact CG-CD1 3.78Å |
| 470 | A | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | I465 P466 R467 I468 L473 L474 L481 | I465-A470 HydrophobicContact CD1-CB 3.94Å; P466-A470 PolarHBondContact O-N 2.92Å; R467-A470 WeakPolarHBondContact O-CB 3.37Å; R467-A470 PolarHBondContact O-N 3.35Å; I468-A470 VanDerWaalsContact C-N 3.3Å; I468-A470 PolarHBondContact O-N 3.04Å; A470-L473 PolarHBondContact O-N 3.21Å; A470-L474 WeakPolarHBondContact O-CG 3.37Å; A470-L474 PolarHBondContact O-N 3.39Å; A470-L481 HydrophobicContact CB-CD1 4Å; A470-L481 HydrophobicContact CB-CD2 4.41Å |
| 471 | Q | 90.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | 178.3 | -70.7 | 173 | -34.7 | 0 | 0 | 112.7 | R467 I468 E469 L473 L474 R502 H504 | R467-Q471 WeakPolarHBondContact O-CG 3.18Å; R467-Q471 PolarHBondContact O-N 2.96Å; I468-Q471 WeakPolarHBondContact O-CB 3.45Å; I468-Q471 PolarHBondContact O-N 3.1Å; E469-Q471 VanDerWaalsContact C-N 3.29Å; E469-Q471 PolarHBondContact O-N 3.22Å; Q471-L473 VanDerWaalsContact C-N 3.33Å; Q471-L474 PolarHBondContact O-N 3.34Å; Q471-R502 HydrophobicContact CB-CB 4.47Å; Q471-R502 HydrophobicContact CB-CG 4.23Å; Q471-R502 HydrophobicContact CG-CB 3.86Å; Q471-R502 HydrophobicContact CG-CG 4.17Å; Q471-H504 PolarHBondContact NE2-NE2 3.32Å |
| 472 | E | 87.3 | Confident | 90.8 | Very high | 112 Ų | 112 | 40.9 Ų | 40.9 | 52% | 0.523 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.4 | -32.3 | 176.3 | -68.7 | -65.2 | 150.8 | 0 | 0 | 112.9 | I468 E469 L474 | I468-E472 WeakPolarHBondContact O-CG 3.39Å; I468-E472 PolarHBondContact O-N 3.27Å; I468-E472 VanDerWaalsContact O-N 3.09Å; E469-E472 PolarHBondContact O-N 3.27Å; E472-L474 VanDerWaalsContact C-N 3.3Å |
| 473 | L | 89.9 | Confident | 90.9 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 34% | 0.335 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -74 | -21.3 | 176.8 | -69.9 | 175.5 | 0 | 0 | 0 | 113 | I465 E469 A470 Q471 L481 V550 | I465-L473 HydrophobicContact CD1-CD1 3.92Å; E469-L473 WeakPolarHBondContact O-CG 3.45Å; E469-L473 PolarHBondContact O-N 3.45Å; A470-L473 PolarHBondContact O-N 3.21Å; Q471-L473 VanDerWaalsContact C-N 3.33Å; L473-L481 HydrophobicContact CB-CD2 3.9Å; L473-L481 HydrophobicContact CD1-CD2 3.94Å; L473-V550 HydrophobicContact CB-CG1 4.21Å |
| 474 | L | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -92.7 | 101.4 | -179.1 | -61.2 | 169.4 | 0 | 0 | 0 | 110.3 | A470 Q471 E472 D479 L481 F497 R502 V550 | A470-L474 WeakPolarHBondContact O-CG 3.37Å; A470-L474 PolarHBondContact O-N 3.39Å; Q471-L474 PolarHBondContact O-N 3.34Å; E472-L474 VanDerWaalsContact C-N 3.3Å; L474-D479 HydrophobicContact CB-CB 4.41Å; L474-D479 HydrophobicContact CD2-CB 3.77Å; L474-D479 WeakPolarHBondContact CD2-O 3.49Å; L474-L481 HydrophobicContact CD2-CD2 4.37Å; L474-L481 HydrophobicContact CD2-CG 4.38Å; L474-F497 HydrophobicContact CB-CB 3.95Å; L474-R502 HydrophobicContact CB-CG 4.44Å; L474-R502 HydrophobicContact CD1-CG 4.41Å; L474-V550 HydrophobicContact CD2-CG2 4.08Å | ||
| 475 | K | 92.3 | Very high | 90.6 | Very high | 165 Ų | 165 | 43.8 Ų | 43.8 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | trans | -107.3 | -33.6 | -167.3 | -64.5 | -174.8 | 178.9 | -175.6 | 0 | 113.6 | D479 F497 | K475-D479 PolarHBondContact N-OD2 2.92Å; K475-F497 WeakPolarHBondContact O-CE1 3.47Å | ||
| 476 | Q | 93.3 | Very high | 89.8 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 52% | 0.523 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -132.6 | 157.9 | -173.6 | 61.3 | 177.6 | 21.7 | 0 | 0 | 112.6 | G478 D479 F497 | Q476-G478 PolarHBondContact O-N 2.74Å; Q476-D479 WeakPolarHBondContact CG-OD1 3.24Å; Q476-D479 VanDerWaalsContact CG-OD2 3.28Å; Q476-D479 WeakPolarHBondContact CG-OD2 3.31Å; Q476-D479 PolarHBondContact N-OD2 2.77Å; Q476-D479 PolarHBondContact NE2-OD1 3.42Å; Q476-D479 WeakPolarHBondContact O-CB 3.45Å; Q476-D479 PolarHBondContact O-N 3.16Å; Q476-F497 WeakPolarHBondContact O-CD1 3.32Å |
| 477 | Q | 93 | Very high | 88.8 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 130 | -174.6 | -179.4 | 68.3 | 17.7 | 0 | 0 | 111.6 | D479 S498 N548 | Q477-D479 PolarHBondContact O-N 2.75Å; Q477-S498 PolarHBondContact NE2-OG 3.25Å; Q477-S498 VanDerWaalsContact OE1-CA 3.29Å; Q477-N548 PolarHBondContact O-ND2 3.4Å; Q477-N548 VanDerWaalsContact O-ND2 3.12Å |
| 478 | G | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 6.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q476 F480 F497 L547 N548 | Q476-G478 PolarHBondContact O-N 2.74Å; G478-F480 PolarHBondContact O-N 3.26Å; G478-F497 WeakPolarHBondContact CA-O 3.46Å; G478-F497 PolarHBondContact N-O 3.31Å; G478-L547 PolarHBondContact O-N 3.42Å; G478-L547 VanDerWaalsContact O-N 3.11Å; G478-N548 PolarHBondContact O-N 3.26Å |
| 479 | D | 96.8 | Very high | 87.2 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 135.8 | 163 | -80.6 | -5.7 | 0 | 0 | 0 | 109.6 | L474 K475 Q476 Q477 V496 F497 N548 V550 | L474-D479 HydrophobicContact CB-CB 4.41Å; L474-D479 HydrophobicContact CD2-CB 3.77Å; L474-D479 WeakPolarHBondContact CD2-O 3.49Å; K475-D479 PolarHBondContact N-OD2 2.92Å; Q476-D479 WeakPolarHBondContact CG-OD1 3.24Å; Q476-D479 VanDerWaalsContact CG-OD2 3.28Å; Q476-D479 WeakPolarHBondContact CG-OD2 3.31Å; Q476-D479 PolarHBondContact N-OD2 2.77Å; Q476-D479 PolarHBondContact NE2-OD1 3.42Å; Q476-D479 WeakPolarHBondContact O-CB 3.45Å; Q476-D479 PolarHBondContact O-N 3.16Å; Q477-D479 PolarHBondContact O-N 2.75Å; D479-V496 CarbonylContact O-C 3.48Å; D479-V496 VanDerWaalsContact O-CA 3.26Å; D479-V496 WeakPolarHBondContact O-CA 3.5Å; D479-V496 WeakPolarHBondContact O-CG1 3.38Å; D479-F497 PolarHBondContact O-N 2.72Å; D479-N548 CarbonylContact C-O 3.52Å; D479-N548 VanDerWaalsContact CA-O 3.29Å; D479-N548 WeakPolarHBondContact CA-O 3.48Å; D479-N548 WeakPolarHBondContact OD1-CB 3.49Å; D479-V550 HydrophobicContact CB-CG2 3.79Å |
| 480 | F | 97.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.8 | 175.5 | 75 | -87 | 0 | 0 | 0 | 113.5 | W460 G478 L494 S495 V496 I528 Y532 L546 N548 P549 V550 | W460-F480 HydrophobicContact CG-CE2 4.44Å; G478-F480 PolarHBondContact O-N 3.26Å; F480-L494 HydrophobicContact CB-CD1 4.11Å; F480-L494 HydrophobicContact CD2-CD1 3.91Å; F480-L494 HydrophobicContact CG-CD1 4.4Å; F480-S495 CarbonylContact C-O 3.56Å; F480-S495 WeakPolarHBondContact CA-O 3.21Å; F480-V496 HydrophobicContact CB-CB 4.43Å; F480-V496 HydrophobicContact CB-CG1 4.26Å; F480-V496 HydrophobicContact CB-CG2 3.96Å; F480-I528 HydrophobicContact CE2-CG2 3.68Å; F480-I528 HydrophobicContact CZ-CG2 4.23Å; F480-Y532 AromaticContact CE1-CD2 3.62Å; F480-Y532 HydrophobicContact CE1-CD2 3.62Å; F480-Y532 AromaticContact CE1-CE2 3.84Å; F480-Y532 HydrophobicContact CE1-CE2 3.84Å; F480-Y532 AromaticContact CZ-CD2 3.82Å; F480-Y532 HydrophobicContact CZ-CD2 3.82Å; F480-Y532 HydrophobicContact CZ-CE2 4.27Å; F480-Y532 HydrophobicContact CZ-CG 4.43Å; F480-L546 HydrophobicContact CB-CD2 3.82Å; F480-L546 HydrophobicContact CD1-CB 3.92Å; F480-L546 HydrophobicContact CD1-CD2 4.06Å; F480-L546 HydrophobicContact CD1-CG 4.42Å; F480-L546 HydrophobicContact CD2-CD1 4.31Å; F480-L546 HydrophobicContact CD2-CD2 4.32Å; F480-L546 HydrophobicContact CE1-CB 3.92Å; F480-L546 HydrophobicContact CE2-CD1 4.28Å; F480-L546 HydrophobicContact CG-CB 4.46Å; F480-L546 HydrophobicContact CG-CD1 4.48Å; F480-L546 HydrophobicContact CG-CD2 3.82Å; F480-L546 HydrophobicContact CG-CG 4.48Å; F480-L546 HydrophobicContact CZ-CB 4.48Å; F480-L546 HydrophobicContact CZ-CD1 4.39Å; F480-N548 VanDerWaalsContact CD1-C 3.47Å; F480-N548 WeakPolarHBondContact CD1-O 3.35Å; F480-N548 VanDerWaalsContact CE1-C 3.47Å; F480-N548 PolarHBondContact N-O 3.02Å; F480-P549 VanDerWaalsContact CE1-CA 3.49Å; F480-P549 HydrophobicContact CE1-CB 3.86Å; F480-P549 HydrophobicContact CE1-CG 4.4Å; F480-P549 VanDerWaalsContact CE1-N 3.28Å; F480-P549 HydrophobicContact CE2-CB 4.19Å; F480-P549 HydrophobicContact CZ-CB 3.6Å; F480-P549 HydrophobicContact CZ-CG 4.37Å; F480-V550 PolarHBondContact O-N 2.98Å |
| 481 | L | 96.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 159.6 | 169.1 | 61.6 | 84.1 | 0 | 0 | 0 | 110.8 | I465 A470 L473 L474 R483 S495 V550 | I465-L481 HydrophobicContact CD1-CD1 4.16Å; I465-L481 HydrophobicContact CD1-CD2 4.39Å; A470-L481 HydrophobicContact CB-CD1 4Å; A470-L481 HydrophobicContact CB-CD2 4.41Å; L473-L481 HydrophobicContact CB-CD2 3.9Å; L473-L481 HydrophobicContact CD1-CD2 3.94Å; L474-L481 HydrophobicContact CD2-CD2 4.37Å; L474-L481 HydrophobicContact CD2-CG 4.38Å; L481-R483 HydrophobicContact CD1-CB 4.27Å; L481-R483 HydrophobicContact CD1-CG 4.31Å; L481-S495 PolarHBondContact N-O 3.47Å; L481-S495 PolarHBondContact O-N 2.97Å; L481-V550 HydrophobicContact CB-CB 4.36Å; L481-V550 HydrophobicContact CD2-CB 4.42Å; L481-V550 HydrophobicContact CD2-CG1 4.47Å |
| 482 | V | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.3 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | W460 Y461 H462 V493 L494 I507 I524 I528 | W460-V482 HydrophobicContact CE3-CB 3.71Å; W460-V482 HydrophobicContact CE3-CG2 3.58Å; W460-V482 HydrophobicContact CH2-CG2 4.49Å; W460-V482 HydrophobicContact CZ3-CB 3.57Å; W460-V482 HydrophobicContact CZ3-CG1 4.28Å; W460-V482 HydrophobicContact CZ3-CG2 3.38Å; W460-V482 PolarHBondContact O-N 3.44Å; Y461-V482 WeakPolarHBondContact CA-O 3.28Å; Y461-V482 HydrophobicContact CD2-CB 4.26Å; Y461-V482 HydrophobicContact CD2-CG1 4.03Å; Y461-V482 WeakPolarHBondContact CD2-O 3.45Å; Y461-V482 HydrophobicContact CE2-CG1 4.44Å; H462-V482 PolarHBondContact N-O 3.38Å; V482-V493 WeakPolarHBondContact CA-O 3.32Å; V482-L494 HydrophobicContact CG2-CD1 3.97Å; V482-I507 HydrophobicContact CG1-CD1 3.96Å; V482-I507 HydrophobicContact CG2-CD1 4.5Å; V482-I524 HydrophobicContact CG1-CG2 4.35Å; V482-I528 HydrophobicContact CG2-CD1 3.85Å; V482-I528 HydrophobicContact CG2-CG1 3.99Å |
| 483 | R | 93.6 | Very high | 87.1 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 161.9 | 178.5 | 60.3 | 177.2 | -177.6 | 76.3 | 1.7 | 110.5 | G463 I465 L481 V493 S495 | G463-R483 CarbonylContact O-C 3.49Å; G463-R483 VanDerWaalsContact O-CA 3.29Å; G463-R483 WeakPolarHBondContact O-CA 3.31Å; G463-R483 VanDerWaalsContact O-CB 3.29Å; G463-R483 WeakPolarHBondContact O-CB 3.46Å; I465-R483 HydrophobicContact CG1-CB 4.06Å; L481-R483 HydrophobicContact CD1-CB 4.27Å; L481-R483 HydrophobicContact CD1-CG 4.31Å; R483-V493 HydrophobicContact CG-CB 4.28Å; R483-V493 PolarHBondContact N-O 3Å; R483-V493 PolarHBondContact O-N 3.39Å; R483-S495 PolarHBondContact NE-OG 3.39Å |
| 484 | E | 90.6 | Very high | 87.4 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 142.8 | 168.1 | -164 | 175.5 | -168.5 | 0 | 0 | 110.5 | G463 G490 Y492 | G463-E484 PolarHBondContact O-N 3.21Å; E484-G490 PolarHBondContact OE1-N 3.31Å; E484-Y492 HydrophobicContact CB-CD1 4.5Å |
| 485 | S | 83.3 | Confident | 87.6 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 143.8 | 176.5 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | E491 | S485-E491 VanDerWaalsContact CB-O 3.24Å; S485-E491 WeakPolarHBondContact CB-O 3.48Å; S485-E491 PolarHBondContact N-O 3.44Å |
| 486 | H | 70.3 | Confident | 87.8 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 131.1 | 177.2 | -71.8 | 45.4 | 0 | 0 | 0 | 109.5 | A464 I465 P466 | A464-H486 PolarHBondContact O-CE1 3.03Å; A464-H486 VanDerWaalsContact O-CE1 3.26Å; A464-H486 PolarHBondContact O-NE2 3.02Å; I465-H486 PolarHBondContact O-CE1 3.36Å; P466-H486 WeakPolarHBondContact CA-NE2 3.35Å |
| 487 | G | 64.2 | Low | 87.9 | Confident | 80 Ų | 80 | 34.8 Ų | 34.8 | 83% | 0.825 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -6.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 488 | K | 70.5 | Confident | 87.9 | Confident | 118 Ų | 118 | 31 Ų | 31 | 51% | 0.513 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -143.1 | 92.7 | 172.7 | -70.2 | -177.5 | 176.6 | 178.4 | 0 | 110.5 | G490 E491 | K488-G490 PolarHBondContact O-N 2.92Å; K488-E491 HydrophobicContact CB-CB 4.3Å; K488-E491 HydrophobicContact CB-CG 4.15Å; K488-E491 HydrophobicContact CD-CG 4.3Å; K488-E491 WeakPolarHBondContact CD-OE1 3.31Å; K488-E491 VanDerWaalsContact CD-OE2 3.32Å; K488-E491 WeakPolarHBondContact CD-OE2 3.48Å; K488-E491 IonicContact NZ-OE1 3.61Å; K488-E491 PolarHBondContact NZ-OE1 2.87Å; K488-E491 IonicContact NZ-OE2 3.76Å; K488-E491 PolarHBondContact O-N 2.99Å |
| 489 | P | 68.1 | Low | 87.9 | Confident | 123 Ų | 123 | 36 Ų | 36 | 80% | 0.799 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 134.1 | 175.3 | -25.5 | 34.5 | 0 | 0 | 0 | 111.2 | ||
| 490 | G | 74.1 | Confident | 87.4 | Confident | 48 Ų | 48 | 38 Ų | 38 | 50% | 0.495 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -5.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | E484 K488 | E484-G490 PolarHBondContact OE1-N 3.31Å; K488-G490 PolarHBondContact O-N 2.92Å |
| 491 | E | 88.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | trans | -86.4 | 134.3 | 164 | -77.5 | -172.6 | -173.3 | 0 | 0 | 110 | S485 K488 | S485-E491 VanDerWaalsContact CB-O 3.24Å; S485-E491 WeakPolarHBondContact CB-O 3.48Å; S485-E491 PolarHBondContact N-O 3.44Å; K488-E491 HydrophobicContact CB-CB 4.3Å; K488-E491 HydrophobicContact CB-CG 4.15Å; K488-E491 HydrophobicContact CD-CG 4.3Å; K488-E491 WeakPolarHBondContact CD-OE1 3.31Å; K488-E491 VanDerWaalsContact CD-OE2 3.32Å; K488-E491 WeakPolarHBondContact CD-OE2 3.48Å; K488-E491 IonicContact NZ-OE1 3.61Å; K488-E491 PolarHBondContact NZ-OE1 2.87Å; K488-E491 IonicContact NZ-OE2 3.76Å; K488-E491 PolarHBondContact O-N 2.99Å | ||
| 492 | Y | 93.9 | Very high | 86.9 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 151.3 | 179.6 | -61.8 | -85 | 0 | 0 | 0 | 111.5 | L455 Y461 E484 I507 Y514 I524 | L455-Y492 HydrophobicContact CD2-CD1 3.83Å; L455-Y492 HydrophobicContact CD2-CE1 3.46Å; L455-Y492 VanDerWaalsContact CD2-CE1 3.46Å; L455-Y492 HydrophobicContact CD2-CE2 4.46Å; L455-Y492 HydrophobicContact CD2-CG 4.48Å; Y461-Y492 HydrophobicContact CE2-CD1 4.04Å; Y461-Y492 HydrophobicContact CE2-CE1 4.05Å; E484-Y492 HydrophobicContact CB-CD1 4.5Å; Y492-I507 PolarHBondContact O-N 3.39Å; Y492-Y514 HydrophobicContact CD2-CE1 4.48Å; Y492-I524 HydrophobicContact CD1-CD1 4.13Å; Y492-I524 HydrophobicContact CD2-CD1 3.29Å; Y492-I524 HydrophobicContact CE2-CD1 3.88Å; Y492-I524 HydrophobicContact CG-CD1 3.43Å; Y492-I524 VanDerWaalsContact CG-CD1 3.43Å |
| 493 | V | 95.1 | Very high | 86.8 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.9 | -177.1 | -178.1 | 0 | 0 | 0 | 0 | 110 | V482 R483 H504 F505 | V482-V493 WeakPolarHBondContact CA-O 3.32Å; R483-V493 HydrophobicContact CG-CB 4.28Å; R483-V493 PolarHBondContact N-O 3Å; R483-V493 PolarHBondContact O-N 3.39Å; V493-H504 HydrophobicContact CG1-CB 3.88Å; V493-F505 CarbonylContact C-O 3.58Å; V493-F505 WeakPolarHBondContact CA-O 3.42Å |
| 494 | L | 96.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.1 | 165.3 | 171.8 | 68.6 | 0 | 0 | 0 | 108.7 | F480 V482 V496 H504 F505 I507 F516 I528 I538 L546 | F480-L494 HydrophobicContact CB-CD1 4.11Å; F480-L494 HydrophobicContact CD2-CD1 3.91Å; F480-L494 HydrophobicContact CG-CD1 4.4Å; V482-L494 HydrophobicContact CG2-CD1 3.97Å; L494-V496 HydrophobicContact CD1-CG2 4.03Å; L494-V496 HydrophobicContact CD2-CG2 3.93Å; L494-V496 HydrophobicContact CG-CG2 3.68Å; L494-H504 CarbonylContact O-C 3.48Å; L494-H504 WeakPolarHBondContact O-CA 3.4Å; L494-F505 HydrophobicContact CB-CB 4.39Å; L494-F505 HydrophobicContact CD2-CD2 4.45Å; L494-F505 PolarHBondContact N-O 3.09Å; L494-F505 PolarHBondContact O-N 3.45Å; L494-I507 HydrophobicContact CB-CG1 4.46Å; L494-F516 HydrophobicContact CB-CE1 3.83Å; L494-F516 HydrophobicContact CB-CZ 3.71Å; L494-F516 HydrophobicContact CD2-CE1 3.85Å; L494-F516 HydrophobicContact CD2-CE2 3.9Å; L494-F516 HydrophobicContact CD2-CZ 3.29Å; L494-F516 HydrophobicContact CG-CZ 4.11Å; L494-I528 HydrophobicContact CD1-CD1 4.04Å; L494-I528 HydrophobicContact CD2-CD1 4.47Å; L494-I538 HydrophobicContact CD2-CD1 3.63Å; L494-I538 HydrophobicContact CD2-CG1 3.99Å; L494-I538 HydrophobicContact CD2-CG2 4.34Å; L494-L546 HydrophobicContact CD1-CD2 4.23Å; L494-L546 HydrophobicContact CD2-CD2 4.01Å |
| 495 | S | 96.8 | Very high | 87 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.1 | 175.2 | -55 | 0 | 0 | 0 | 0 | 109.1 | F480 L481 R483 R503 H504 | F480-S495 CarbonylContact C-O 3.56Å; F480-S495 WeakPolarHBondContact CA-O 3.21Å; L481-S495 PolarHBondContact N-O 3.47Å; L481-S495 PolarHBondContact O-N 2.97Å; R483-S495 PolarHBondContact NE-OG 3.39Å; S495-R503 WeakPolarHBondContact CA-O 3.48Å; S495-H504 WeakPolarHBondContact CB-ND1 3.48Å; S495-H504 PolarHBondContact OG-ND1 2.95Å |
| 496 | V | 96.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.9 | -173.9 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | D479 F480 L494 R502 R503 F505 V544 L546 | D479-V496 CarbonylContact O-C 3.48Å; D479-V496 VanDerWaalsContact O-CA 3.26Å; D479-V496 WeakPolarHBondContact O-CA 3.5Å; D479-V496 WeakPolarHBondContact O-CG1 3.38Å; F480-V496 HydrophobicContact CB-CB 4.43Å; F480-V496 HydrophobicContact CB-CG1 4.26Å; F480-V496 HydrophobicContact CB-CG2 3.96Å; L494-V496 HydrophobicContact CD1-CG2 4.03Å; L494-V496 HydrophobicContact CD2-CG2 3.93Å; L494-V496 HydrophobicContact CG-CG2 3.68Å; V496-R502 CarbonylContact O-C 3.53Å; V496-R503 PolarHBondContact N-O 3.45Å; V496-R503 PolarHBondContact O-N 2.92Å; V496-F505 HydrophobicContact CG2-CD2 4.31Å; V496-F505 HydrophobicContact CG2-CE2 4.29Å; V496-V544 HydrophobicContact CB-CG1 4.01Å; V496-V544 HydrophobicContact CG1-CG1 3.62Å; V496-V544 HydrophobicContact CG2-CG1 4.22Å; V496-L546 HydrophobicContact CG1-CD2 4.31Å; V496-L546 HydrophobicContact CG2-CD2 3.79Å |
| 497 | F | 96.2 | Very high | 88.6 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.8 | 168.9 | -173.5 | -137.1 | 0 | 0 | 0 | 110.5 | L474 K475 Q476 G478 D479 Q501 R502 | L474-F497 HydrophobicContact CB-CB 3.95Å; K475-F497 WeakPolarHBondContact O-CE1 3.47Å; Q476-F497 WeakPolarHBondContact O-CD1 3.32Å; G478-F497 WeakPolarHBondContact CA-O 3.46Å; G478-F497 PolarHBondContact N-O 3.31Å; D479-F497 PolarHBondContact O-N 2.72Å; F497-Q501 WeakPolarHBondContact CD2-O 3.48Å; F497-R502 HydrophobicContact CD2-CG 3.78Å; F497-R502 HydrophobicContact CE2-CG 4.39Å |
| 498 | S | 93.3 | Very high | 90 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 133.4 | -179.6 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | Q477 G500 Q501 | Q477-S498 PolarHBondContact NE2-OG 3.25Å; Q477-S498 VanDerWaalsContact OE1-CA 3.29Å; S498-G500 VanDerWaalsContact C-N 3.31Å; S498-G500 PolarHBondContact O-N 3.38Å; S498-Q501 PolarHBondContact N-O 3.35Å; S498-Q501 PolarHBondContact O-N 3.43Å |
| 499 | D | 88.1 | Confident | 91 | Very high | 104 Ų | 104 | 56.3 Ų | 56.3 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 42.3 | 173.6 | -43.3 | -45.4 | 0 | 0 | 0 | 112.3 | Q501 R503 | D499-Q501 PolarHBondContact O-N 3.29Å; D499-R503 IonicContact OD2-CZ 3.34Å; D499-R503 IonicContact OD2-NH2 2.7Å; D499-R503 PolarHBondContact OD2-NH2 3.12Å |
| 500 | G | 86.4 | Confident | 92 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 56% | 0.557 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 3.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S498 | S498-G500 VanDerWaalsContact C-N 3.31Å; S498-G500 PolarHBondContact O-N 3.38Å |
| 501 | Q | 90.9 | Very high | 92.7 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.3 | -178.8 | -61.8 | -172.8 | 0.2 | 0 | 0 | 112.9 | F497 S498 D499 R503 | F497-Q501 WeakPolarHBondContact CD2-O 3.48Å; S498-Q501 PolarHBondContact N-O 3.35Å; S498-Q501 PolarHBondContact O-N 3.43Å; D499-Q501 PolarHBondContact O-N 3.29Å; Q501-R503 HydrophobicContact CB-CG 4.36Å; Q501-R503 PolarHBondContact O-N 3.29Å |
| 502 | R | 92.4 | Very high | 92.7 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.8 | 172.1 | -66.8 | 82.6 | 176.9 | -178.3 | 1 | 109.1 | Q471 L474 V496 F497 | Q471-R502 HydrophobicContact CB-CB 4.47Å; Q471-R502 HydrophobicContact CB-CG 4.23Å; Q471-R502 HydrophobicContact CG-CB 3.86Å; Q471-R502 HydrophobicContact CG-CG 4.17Å; L474-R502 HydrophobicContact CB-CG 4.44Å; L474-R502 HydrophobicContact CD1-CG 4.41Å; V496-R502 CarbonylContact O-C 3.53Å; F497-R502 HydrophobicContact CD2-CG 3.78Å; F497-R502 HydrophobicContact CE2-CG 4.39Å |
| 503 | R | 93.7 | Very high | 92.7 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 150.8 | -176.7 | -61.3 | -175.6 | -177.6 | 173.9 | 11.4 | 110.8 | S495 V496 D499 Q501 F505 S542 | S495-R503 WeakPolarHBondContact CA-O 3.48Å; V496-R503 PolarHBondContact N-O 3.45Å; V496-R503 PolarHBondContact O-N 2.92Å; D499-R503 IonicContact OD2-CZ 3.34Å; D499-R503 IonicContact OD2-NH2 2.7Å; D499-R503 PolarHBondContact OD2-NH2 3.12Å; Q501-R503 HydrophobicContact CB-CG 4.36Å; Q501-R503 PolarHBondContact O-N 3.29Å; R503-F505 HydrophobicContact CB-CE2 3.82Å; R503-F505 HydrophobicContact CB-CZ 4.09Å; R503-S542 PolarHBondContact NH1-O 3.31Å |
| 504 | H | 94 | Very high | 92.6 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.1 | -179 | -53.7 | -82.2 | 0 | 0 | 0 | 110 | R467 Q471 V493 L494 S495 | R467-H504 PolarHBondContact NE-CD2 3.01Å; R467-H504 PolarHBondContact NE-NE2 2.89Å; R467-H504 PolarHBondContact NH2-CD2 2.95Å; R467-H504 VanDerWaalsContact NH2-CD2 3.32Å; Q471-H504 PolarHBondContact NE2-NE2 3.32Å; V493-H504 HydrophobicContact CG1-CB 3.88Å; L494-H504 CarbonylContact O-C 3.48Å; L494-H504 WeakPolarHBondContact O-CA 3.4Å; S495-H504 WeakPolarHBondContact CB-ND1 3.48Å; S495-H504 PolarHBondContact OG-ND1 2.95Å |
| 505 | F | 94.3 | Very high | 92.5 | Very high | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.4 | -176.9 | -58.6 | -86.8 | 0 | 0 | 0 | 109.5 | V493 L494 V496 R503 I507 F516 I538 T539 V544 | V493-F505 CarbonylContact C-O 3.58Å; V493-F505 WeakPolarHBondContact CA-O 3.42Å; L494-F505 HydrophobicContact CB-CB 4.39Å; L494-F505 HydrophobicContact CD2-CD2 4.45Å; L494-F505 PolarHBondContact N-O 3.09Å; L494-F505 PolarHBondContact O-N 3.45Å; V496-F505 HydrophobicContact CG2-CD2 4.31Å; V496-F505 HydrophobicContact CG2-CE2 4.29Å; R503-F505 HydrophobicContact CB-CE2 3.82Å; R503-F505 HydrophobicContact CB-CZ 4.09Å; F505-I507 PolarHBondContact O-N 3.28Å; F505-F516 HydrophobicContact CB-CD1 4.03Å; F505-F516 HydrophobicContact CB-CE1 3.89Å; F505-I538 HydrophobicContact CB-CG2 4.18Å; F505-I538 HydrophobicContact CD1-CG2 3.74Å; F505-I538 HydrophobicContact CD2-CG2 4.05Å; F505-I538 HydrophobicContact CE1-CG2 4.08Å; F505-I538 HydrophobicContact CE2-CG2 4.37Å; F505-I538 HydrophobicContact CG-CG2 3.72Å; F505-I538 HydrophobicContact CZ-CG2 4.38Å; F505-T539 HydrophobicContact CD1-CG2 4.27Å; F505-T539 HydrophobicContact CE1-CG2 4.26Å; F505-V544 HydrophobicContact CE2-CB 4.28Å; F505-V544 HydrophobicContact CE2-CG1 4.15Å; F505-V544 HydrophobicContact CE2-CG2 4.19Å; F505-V544 HydrophobicContact CZ-CB 4.07Å; F505-V544 HydrophobicContact CZ-CG1 4.45Å; F505-V544 HydrophobicContact CZ-CG2 3.78Å |
| 506 | I | 93.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 65.6 Ų | 65.6 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.6 | 173.5 | -60.9 | 173.6 | 0 | 0 | 0 | 107.9 | Q508 | I506-Q508 PolarHBondContact O-N 3Å |
| 507 | I | 94.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.3 | 173 | -56 | 177.4 | 0 | 0 | 0 | 107 | V482 Y492 L494 F505 Y514 F516 I524 L527 | V482-I507 HydrophobicContact CG1-CD1 3.96Å; V482-I507 HydrophobicContact CG2-CD1 4.5Å; Y492-I507 PolarHBondContact O-N 3.39Å; L494-I507 HydrophobicContact CB-CG1 4.46Å; F505-I507 PolarHBondContact O-N 3.28Å; I507-Y514 HydrophobicContact CG2-CD1 3.95Å; I507-Y514 HydrophobicContact CG2-CG 4.45Å; I507-F516 HydrophobicContact CB-CE1 4.45Å; I507-F516 HydrophobicContact CD1-CZ 4.38Å; I507-F516 HydrophobicContact CG1-CE1 3.61Å; I507-F516 HydrophobicContact CG1-CZ 3.87Å; I507-I524 HydrophobicContact CD1-CD1 4.18Å; I507-I524 HydrophobicContact CD1-CG1 4.48Å; I507-I524 HydrophobicContact CD1-CG2 3.94Å; I507-I524 HydrophobicContact CG2-CD1 4.36Å; I507-I524 HydrophobicContact CG2-CG1 4.28Å; I507-L527 HydrophobicContact CG2-CD2 3.68Å |
| 508 | Q | 92.4 | Very high | 90.9 | Very high | 110 Ų | 110 | 71.8 Ų | 71.8 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 142.1 | -178.8 | -59.8 | 179.8 | 0.8 | 0 | 0 | 110 | I506 Y514 R515 | I506-Q508 PolarHBondContact O-N 3Å; Q508-Y514 CarbonylContact O-C 3.51Å; Q508-Y514 VanDerWaalsContact O-CA 3.27Å; Q508-Y514 WeakPolarHBondContact O-CA 3.33Å; Q508-R515 HydrophobicContact CB-CG 4.27Å; Q508-R515 PolarHBondContact N-O 3.49Å; Q508-R515 PolarHBondContact O-N 3.49Å |
| 509 | Y | 91.8 | Very high | 90.6 | Very high | 130 Ų | 130 | 75.3 Ų | 75.3 | 51% | 0.51 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 110.8 | 171.4 | -172.2 | -111.2 | 0 | 0 | 0 | 109.3 | N512 Q513 Y514 | Y509-N512 WeakPolarHBondContact OH-CA 3.36Å; Y509-Q513 WeakPolarHBondContact CA-O 3.48Å; Y509-Y514 AromaticContact CD2-CD1 3.62Å; Y509-Y514 HydrophobicContact CD2-CD1 3.62Å; Y509-Y514 HydrophobicContact CD2-CD2 4.01Å; Y509-Y514 AromaticContact CD2-CE1 3.4Å; Y509-Y514 HydrophobicContact CD2-CE1 3.4Å; Y509-Y514 VanDerWaalsContact CD2-CE1 3.4Å; Y509-Y514 AromaticContact CD2-CE2 3.82Å; Y509-Y514 HydrophobicContact CD2-CE2 3.82Å; Y509-Y514 AromaticContact CD2-CG 3.93Å; Y509-Y514 HydrophobicContact CD2-CG 3.93Å; Y509-Y514 AromaticContact CD2-CZ 3.51Å; Y509-Y514 HydrophobicContact CE2-CD1 4.46Å; Y509-Y514 HydrophobicContact CE2-CD2 4.12Å; Y509-Y514 HydrophobicContact CE2-CE1 4.06Å; Y509-Y514 AromaticContact CE2-CE2 3.68Å; Y509-Y514 HydrophobicContact CE2-CE2 3.68Å; Y509-Y514 HydrophobicContact CE2-CG 4.49Å; Y509-Y514 AromaticContact CE2-CZ 3.65Å; Y509-Y514 HydrophobicContact CG-CD1 4.36Å; Y509-Y514 HydrophobicContact CG-CE1 4.04Å |
| 510 | A | 89.1 | Confident | 90.8 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N512 Q513 R515 | A510-N512 PolarHBondContact O-N 3.46Å; A510-Q513 PolarHBondContact N-O 3.02Å; A510-Q513 PolarHBondContact O-N 2.94Å; A510-R515 PolarHBondContact O-NH2 2.88Å |
| 511 | D | 88.9 | Confident | 91.1 | Very high | 130 Ų | 130 | 70.2 Ų | 70.2 | 70% | 0.695 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 38.5 | -176.8 | -42.5 | -51.1 | 0 | 0 | 0 | 113.6 | Q513 R515 | D511-Q513 PolarHBondContact O-N 3.33Å; D511-R515 IonicContact OD2-CZ 3.85Å; D511-R515 IonicContact OD2-NH1 3.77Å; D511-R515 IonicContact OD2-NH2 2.7Å; D511-R515 PolarHBondContact OD2-NH2 3.41Å |
| 512 | N | 88.2 | Confident | 91.1 | Very high | 125 Ų | 125 | 68.1 Ų | 68.1 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.6 | -173.5 | -61.2 | -30.3 | 0 | 0 | 0 | 114.7 | Y509 A510 | Y509-N512 WeakPolarHBondContact OH-CA 3.36Å; A510-N512 PolarHBondContact O-N 3.46Å |
| 513 | Q | 93.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.9 | -179.7 | -66.7 | -177.5 | -4.9 | 0 | 0 | 112.2 | Y509 A510 D511 G520 F521 | Y509-Q513 WeakPolarHBondContact CA-O 3.48Å; A510-Q513 PolarHBondContact N-O 3.02Å; A510-Q513 PolarHBondContact O-N 2.94Å; D511-Q513 PolarHBondContact O-N 3.33Å; Q513-G520 VanDerWaalsContact OE1-CA 3.3Å; Q513-G520 PolarHBondContact OE1-O 3.4Å; Q513-F521 CarbonylContact C-O 3.57Å; Q513-F521 WeakPolarHBondContact CA-O 3.24Å |
| 514 | Y | 93.4 | Very high | 91.2 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.2 | 173.1 | -62.2 | -81.9 | 0 | 0 | 0 | 111.1 | Y492 I507 Q508 Y509 G520 F521 P522 I524 | Y492-Y514 HydrophobicContact CD2-CE1 4.48Å; I507-Y514 HydrophobicContact CG2-CD1 3.95Å; I507-Y514 HydrophobicContact CG2-CG 4.45Å; Q508-Y514 CarbonylContact O-C 3.51Å; Q508-Y514 VanDerWaalsContact O-CA 3.27Å; Q508-Y514 WeakPolarHBondContact O-CA 3.33Å; Y509-Y514 AromaticContact CD2-CD1 3.62Å; Y509-Y514 HydrophobicContact CD2-CD1 3.62Å; Y509-Y514 HydrophobicContact CD2-CD2 4.01Å; Y509-Y514 AromaticContact CD2-CE1 3.4Å; Y509-Y514 HydrophobicContact CD2-CE1 3.4Å; Y509-Y514 VanDerWaalsContact CD2-CE1 3.4Å; Y509-Y514 AromaticContact CD2-CE2 3.82Å; Y509-Y514 HydrophobicContact CD2-CE2 3.82Å; Y509-Y514 AromaticContact CD2-CG 3.93Å; Y509-Y514 HydrophobicContact CD2-CG 3.93Å; Y509-Y514 AromaticContact CD2-CZ 3.51Å; Y509-Y514 HydrophobicContact CE2-CD1 4.46Å; Y509-Y514 HydrophobicContact CE2-CD2 4.12Å; Y509-Y514 HydrophobicContact CE2-CE1 4.06Å; Y509-Y514 AromaticContact CE2-CE2 3.68Å; Y509-Y514 HydrophobicContact CE2-CE2 3.68Å; Y509-Y514 HydrophobicContact CE2-CG 4.49Å; Y509-Y514 AromaticContact CE2-CZ 3.65Å; Y509-Y514 HydrophobicContact CG-CD1 4.36Å; Y509-Y514 HydrophobicContact CG-CE1 4.04Å; Y514-G520 WeakPolarHBondContact O-CA 3.11Å; Y514-F521 PolarHBondContact N-O 3.23Å; Y514-F521 PolarHBondContact O-N 3.08Å; Y514-P522 WeakPolarHBondContact CE2-O 3.44Å; Y514-I524 HydrophobicContact CD1-CD1 3.82Å; Y514-I524 HydrophobicContact CD1-CG1 3.48Å; Y514-I524 VanDerWaalsContact CD1-CG1 3.48Å; Y514-I524 HydrophobicContact CD2-CG1 3.99Å; Y514-I524 HydrophobicContact CE1-CD1 3.76Å; Y514-I524 HydrophobicContact CE1-CG1 3.77Å; Y514-I524 HydrophobicContact CE2-CG1 4.25Å; Y514-I524 HydrophobicContact CG-CD1 4.43Å; Y514-I524 HydrophobicContact CG-CG1 3.59Å |
| 515 | R | 93.8 | Very high | 91.3 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 18% | 0.177 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 162.4 | -179.8 | 65.1 | -169.4 | 85.3 | 177.6 | 16.1 | 113.4 | Q508 A510 D511 | Q508-R515 HydrophobicContact CB-CG 4.27Å; Q508-R515 PolarHBondContact N-O 3.49Å; Q508-R515 PolarHBondContact O-N 3.49Å; A510-R515 PolarHBondContact O-NH2 2.88Å; D511-R515 IonicContact OD2-CZ 3.85Å; D511-R515 IonicContact OD2-NH1 3.77Å; D511-R515 IonicContact OD2-NH2 2.7Å; D511-R515 PolarHBondContact OD2-NH2 3.41Å |
| 516 | F | 91 | Very high | 91.2 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -101.1 | -94.3 | 162.3 | -59.6 | -71.2 | 0 | 0 | 0 | 109 | L494 F505 I507 L527 I528 H531 I538 | L494-F516 HydrophobicContact CB-CE1 3.83Å; L494-F516 HydrophobicContact CB-CZ 3.71Å; L494-F516 HydrophobicContact CD2-CE1 3.85Å; L494-F516 HydrophobicContact CD2-CE2 3.9Å; L494-F516 HydrophobicContact CD2-CZ 3.29Å; L494-F516 HydrophobicContact CG-CZ 4.11Å; F505-F516 HydrophobicContact CB-CD1 4.03Å; F505-F516 HydrophobicContact CB-CE1 3.89Å; I507-F516 HydrophobicContact CB-CE1 4.45Å; I507-F516 HydrophobicContact CD1-CZ 4.38Å; I507-F516 HydrophobicContact CG1-CE1 3.61Å; I507-F516 HydrophobicContact CG1-CZ 3.87Å; F516-L527 HydrophobicContact CD2-CD1 3.99Å; F516-L527 HydrophobicContact CD2-CD2 4.11Å; F516-L527 HydrophobicContact CD2-CG 4.24Å; F516-L527 HydrophobicContact CE2-CD1 4.12Å; F516-L527 HydrophobicContact CE2-CD2 3.76Å; F516-L527 HydrophobicContact CE2-CG 3.88Å; F516-L527 HydrophobicContact CZ-CD2 4.13Å; F516-I528 HydrophobicContact CE2-CD1 4.36Å; F516-I528 HydrophobicContact CZ-CD1 4.2Å; F516-H531 AromaticContact CD2-CD2 3.85Å; F516-H531 AromaticContact CD2-NE2 3.62Å; F516-I538 HydrophobicContact CB-CG2 4.03Å; F516-I538 WeakPolarHBondContact CB-O 3.49Å; F516-I538 HydrophobicContact CD1-CG2 3.82Å; F516-I538 HydrophobicContact CD2-CD1 4.11Å; F516-I538 HydrophobicContact CD2-CG2 3.92Å; F516-I538 HydrophobicContact CE1-CG2 4.23Å; F516-I538 HydrophobicContact CE2-CD1 3.91Å; F516-I538 HydrophobicContact CE2-CG2 4.34Å; F516-I538 HydrophobicContact CG-CG2 3.66Å; F516-I538 HydrophobicContact CZ-CG2 4.49Å |
| 517 | E | 84.3 | Confident | 91.2 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -112.7 | 124.6 | 165.7 | -74.7 | 177.2 | -179.1 | 0 | 0 | 109.3 | T539 K540 | E517-T539 VanDerWaalsContact CD-CB 3.41Å; E517-T539 HydrophobicContact CG-CG2 3.92Å; E517-T539 WeakPolarHBondContact OE1-CB 3.45Å; E517-T539 VanDerWaalsContact OE2-CA 3.28Å; E517-T539 WeakPolarHBondContact OE2-CA 3.44Å; E517-T539 VanDerWaalsContact OE2-CB 3.3Å; E517-T539 WeakPolarHBondContact OE2-CB 3.26Å; E517-K540 PolarHBondContact OE2-N 3.33Å |
| 518 | G | 81.6 | Confident | 91.3 | Very high | 58 Ų | 58 | 58 Ų | 58 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 104 | -129.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 519 | T | 86.1 | Confident | 91.3 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | trans | -63.7 | 134.6 | -171.6 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | F521 | T519-F521 WeakPolarHBondContact O-CE2 3.45Š| ||
| 520 | G | 91.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | trans | -96.5 | 151.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q513 Y514 | Q513-G520 VanDerWaalsContact OE1-CA 3.3Å; Q513-G520 PolarHBondContact OE1-O 3.4Å; Y514-G520 WeakPolarHBondContact O-CA 3.11Å | ||
| 521 | F | 93.1 | Very high | 91.4 | Very high | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 146 | 179.9 | -60.2 | -93 | 0 | 0 | 0 | 110.5 | Q513 Y514 T519 T523 Q526 L527 H530 | Q513-F521 CarbonylContact C-O 3.57Å; Q513-F521 WeakPolarHBondContact CA-O 3.24Å; Y514-F521 PolarHBondContact N-O 3.23Å; Y514-F521 PolarHBondContact O-N 3.08Å; T519-F521 WeakPolarHBondContact O-CE2 3.45Å; F521-T523 PolarHBondContact O-N 3.34Å; F521-Q526 HydrophobicContact CB-CB 4.13Å; F521-Q526 HydrophobicContact CD1-CB 4.26Å; F521-L527 HydrophobicContact CB-CB 4.11Å; F521-L527 HydrophobicContact CD2-CB 3.87Å; F521-L527 HydrophobicContact CD2-CD1 3.5Å; F521-L527 HydrophobicContact CD2-CG 4.3Å; F521-L527 HydrophobicContact CE2-CD1 3.78Å; F521-L527 HydrophobicContact CG-CB 4.19Å; F521-H530 HydrophobicContact CE1-CB 3.72Å; F521-H530 AromaticContact CE1-CG 3.8Å; F521-H530 HydrophobicContact CE2-CB 4.12Å; F521-H530 HydrophobicContact CZ-CB 3.48Å; F521-H530 VanDerWaalsContact CZ-CB 3.48Å; F521-H530 AromaticContact CZ-CD2 3.47Å; F521-H530 VanDerWaalsContact CZ-CD2 3.47Å; F521-H530 WeakPolarHBondContact CZ-CD2 3.24Å; F521-H530 AromaticContact CZ-CG 3.25Å; F521-H530 AromaticContact CZ-ND1 3.71Å; F521-H530 AromaticContact CZ-NE2 4Å |
| 522 | P | 91.9 | Very high | 91.6 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -69.8 | -19.6 | -177.5 | 27.9 | -34.5 | 0 | 0 | 0 | 113.3 | Y514 | Y514-P522 WeakPolarHBondContact CE2-O 3.44Š|
| 523 | T | 93.6 | Very high | 91.8 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -135.7 | 150.1 | 176.7 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | F521 Q526 L527 | F521-T523 PolarHBondContact O-N 3.34Å; T523-Q526 PolarHBondContact O-N 3.46Å; T523-Q526 VanDerWaalsContact OG1-CG 3.31Å; T523-Q526 WeakPolarHBondContact OG1-CG 3.4Å; T523-Q526 PolarHBondContact OG1-N 2.97Å; T523-L527 PolarHBondContact O-N 3.25Å; T523-L527 VanDerWaalsContact O-N 3.1Å |
| 524 | I | 94.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 175.1 | -66.8 | 177.6 | 0 | 0 | 0 | 112.3 | L455 W460 V482 Y492 I507 Y514 Q526 L527 I528 | L455-I524 HydrophobicContact CD1-CB 4.13Å; L455-I524 HydrophobicContact CD1-CG2 3.82Å; L455-I524 HydrophobicContact CD2-CB 4.36Å; L455-I524 HydrophobicContact CD2-CD1 3.86Å; W460-I524 HydrophobicContact CH2-CG2 4.2Å; W460-I524 HydrophobicContact CZ3-CG2 4.35Å; V482-I524 HydrophobicContact CG1-CG2 4.35Å; Y492-I524 HydrophobicContact CD1-CD1 4.13Å; Y492-I524 HydrophobicContact CD2-CD1 3.29Å; Y492-I524 HydrophobicContact CE2-CD1 3.88Å; Y492-I524 HydrophobicContact CG-CD1 3.43Å; Y492-I524 VanDerWaalsContact CG-CD1 3.43Å; I507-I524 HydrophobicContact CD1-CD1 4.18Å; I507-I524 HydrophobicContact CD1-CG1 4.48Å; I507-I524 HydrophobicContact CD1-CG2 3.94Å; I507-I524 HydrophobicContact CG2-CD1 4.36Å; I507-I524 HydrophobicContact CG2-CG1 4.28Å; Y514-I524 HydrophobicContact CD1-CD1 3.82Å; Y514-I524 HydrophobicContact CD1-CG1 3.48Å; Y514-I524 VanDerWaalsContact CD1-CG1 3.48Å; Y514-I524 HydrophobicContact CD2-CG1 3.99Å; Y514-I524 HydrophobicContact CE1-CD1 3.76Å; Y514-I524 HydrophobicContact CE1-CG1 3.77Å; Y514-I524 HydrophobicContact CE2-CG1 4.25Å; Y514-I524 HydrophobicContact CG-CD1 4.43Å; Y514-I524 HydrophobicContact CG-CG1 3.59Å; I524-Q526 VanDerWaalsContact C-N 3.26Å; I524-Q526 PolarHBondContact O-N 3.33Å; I524-L527 WeakPolarHBondContact O-CB 3.22Å; I524-L527 PolarHBondContact O-N 3.17Å; I524-L527 VanDerWaalsContact O-N 3.16Å; I524-I528 HydrophobicContact CG2-CG1 4.01Å; I524-I528 WeakPolarHBondContact O-CG1 3.49Å; I524-I528 PolarHBondContact O-N 2.96Å |
| 525 | P | 95.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.2 | -41.6 | 173.9 | -29.6 | 36.8 | 0 | 0 | 0 | 113.7 | L455 Q458 W460 I528 D529 | L455-P525 HydrophobicContact CD1-CG 4.5Å; Q458-P525 HydrophobicContact CG-CB 4.43Å; Q458-P525 HydrophobicContact CG-CG 3.93Å; W460-P525 HydrophobicContact CH2-CG 4.45Å; W460-P525 HydrophobicContact CZ2-CB 4.37Å; P525-I528 PolarHBondContact O-N 3.48Å; P525-D529 WeakPolarHBondContact O-CB 3.3Å; P525-D529 PolarHBondContact O-N 3.01Å |
| 526 | Q | 92.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 49 Ų | 49 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.7 | -39.2 | 177.4 | -70.9 | 175.3 | 1.2 | 0 | 0 | 112.7 | F521 T523 I524 H530 | F521-Q526 HydrophobicContact CB-CB 4.13Å; F521-Q526 HydrophobicContact CD1-CB 4.26Å; T523-Q526 PolarHBondContact O-N 3.46Å; T523-Q526 VanDerWaalsContact OG1-CG 3.31Å; T523-Q526 WeakPolarHBondContact OG1-CG 3.4Å; T523-Q526 PolarHBondContact OG1-N 2.97Å; I524-Q526 VanDerWaalsContact C-N 3.26Å; I524-Q526 PolarHBondContact O-N 3.33Å; Q526-H530 WeakPolarHBondContact O-CB 3.3Å; Q526-H530 PolarHBondContact O-N 2.96Å |
| 527 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 173.1 | 171.7 | 66.6 | 0 | 0 | 0 | 111.2 | I507 F516 F521 T523 I524 H530 H531 | I507-L527 HydrophobicContact CG2-CD2 3.68Å; F516-L527 HydrophobicContact CD2-CD1 3.99Å; F516-L527 HydrophobicContact CD2-CD2 4.11Å; F516-L527 HydrophobicContact CD2-CG 4.24Å; F516-L527 HydrophobicContact CE2-CD1 4.12Å; F516-L527 HydrophobicContact CE2-CD2 3.76Å; F516-L527 HydrophobicContact CE2-CG 3.88Å; F516-L527 HydrophobicContact CZ-CD2 4.13Å; F521-L527 HydrophobicContact CB-CB 4.11Å; F521-L527 HydrophobicContact CD2-CB 3.87Å; F521-L527 HydrophobicContact CD2-CD1 3.5Å; F521-L527 HydrophobicContact CD2-CG 4.3Å; F521-L527 HydrophobicContact CE2-CD1 3.78Å; F521-L527 HydrophobicContact CG-CB 4.19Å; T523-L527 PolarHBondContact O-N 3.25Å; T523-L527 VanDerWaalsContact O-N 3.1Å; I524-L527 WeakPolarHBondContact O-CB 3.22Å; I524-L527 PolarHBondContact O-N 3.17Å; I524-L527 VanDerWaalsContact O-N 3.16Å; L527-H530 PolarHBondContact O-N 2.89Å; L527-H531 PolarHBondContact O-CD2 3.35Å; L527-H531 PolarHBondContact O-N 2.89Å |
| 528 | I | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | -179.1 | -64.3 | -56.8 | 0 | 0 | 0 | 110.8 | W460 F480 V482 L494 F516 I524 P525 H530 H531 Y532 L546 | W460-I528 HydrophobicContact CD2-CG2 4.47Å; W460-I528 HydrophobicContact CH2-CB 3.95Å; W460-I528 HydrophobicContact CH2-CG1 3.75Å; W460-I528 HydrophobicContact CH2-CG2 4.2Å; W460-I528 HydrophobicContact CZ2-CB 4.05Å; W460-I528 HydrophobicContact CZ2-CG1 4.36Å; W460-I528 HydrophobicContact CZ2-CG2 4.01Å; W460-I528 HydrophobicContact CZ3-CB 4.5Å; W460-I528 HydrophobicContact CZ3-CG1 3.95Å; F480-I528 HydrophobicContact CE2-CG2 3.68Å; F480-I528 HydrophobicContact CZ-CG2 4.23Å; V482-I528 HydrophobicContact CG2-CD1 3.85Å; V482-I528 HydrophobicContact CG2-CG1 3.99Å; L494-I528 HydrophobicContact CD1-CD1 4.04Å; L494-I528 HydrophobicContact CD2-CD1 4.47Å; F516-I528 HydrophobicContact CE2-CD1 4.36Å; F516-I528 HydrophobicContact CZ-CD1 4.2Å; I524-I528 HydrophobicContact CG2-CG1 4.01Å; I524-I528 WeakPolarHBondContact O-CG1 3.49Å; I524-I528 PolarHBondContact O-N 2.96Å; P525-I528 PolarHBondContact O-N 3.48Å; I528-H530 VanDerWaalsContact C-N 3.33Å; I528-H530 PolarHBondContact O-N 2.84Å; I528-H531 PolarHBondContact O-N 3.05Å; I528-Y532 WeakPolarHBondContact O-CB 3.49Å; I528-Y532 PolarHBondContact O-N 2.72Å; I528-L546 HydrophobicContact CD1-CD1 4.49Å; I528-L546 HydrophobicContact CG2-CD1 4.29Å |
| 529 | D | 92.9 | Very high | 92.3 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.7 | -173.7 | 67.7 | 0 | 0 | 0 | 111.9 | T451 P525 Y532 T533 | T451-D529 HydrophobicContact CG2-CB 3.4Å; T451-D529 VanDerWaalsContact CG2-CB 3.4Å; T451-D529 WeakPolarHBondContact CG2-OD2 3.48Å; P525-D529 WeakPolarHBondContact O-CB 3.3Å; P525-D529 PolarHBondContact O-N 3.01Å; D529-Y532 PolarHBondContact O-N 3.09Å; D529-T533 WeakPolarHBondContact O-CB 3.4Å; D529-T533 VanDerWaalsContact O-CG2 3.31Å; D529-T533 WeakPolarHBondContact O-CG2 3.4Å; D529-T533 PolarHBondContact O-N 2.9Å; D529-T533 PolarHBondContact O-OG1 3.25Å |
| 530 | H | 91.8 | Very high | 92.2 | Very high | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -53.6 | 175 | -178.3 | 79 | 0 | 0 | 0 | 112.2 | F521 Q526 L527 I528 Y532 T533 T534 Q536 | F521-H530 HydrophobicContact CE1-CB 3.72Å; F521-H530 AromaticContact CE1-CG 3.8Å; F521-H530 HydrophobicContact CE2-CB 4.12Å; F521-H530 HydrophobicContact CZ-CB 3.48Å; F521-H530 VanDerWaalsContact CZ-CB 3.48Å; F521-H530 AromaticContact CZ-CD2 3.47Å; F521-H530 VanDerWaalsContact CZ-CD2 3.47Å; F521-H530 WeakPolarHBondContact CZ-CD2 3.24Å; F521-H530 AromaticContact CZ-CG 3.25Å; F521-H530 AromaticContact CZ-ND1 3.71Å; F521-H530 AromaticContact CZ-NE2 4Å; Q526-H530 WeakPolarHBondContact O-CB 3.3Å; Q526-H530 PolarHBondContact O-N 2.96Å; L527-H530 PolarHBondContact O-N 2.89Å; I528-H530 VanDerWaalsContact C-N 3.33Å; I528-H530 PolarHBondContact O-N 2.84Å; H530-Y532 VanDerWaalsContact C-N 3.29Å; H530-Y532 PolarHBondContact O-N 3.11Å; H530-T533 PolarHBondContact O-N 2.79Å; H530-T533 PolarHBondContact O-OG1 3.17Å; H530-T534 WeakPolarHBondContact O-CB 3.45Å; H530-T534 WeakPolarHBondContact O-CG2 3.42Å; H530-T534 PolarHBondContact O-N 3.36Å; H530-T534 PolarHBondContact O-OG1 3.29Å; H530-Q536 PolarHBondContact CD2-OE1 3.2Å; H530-Q536 PolarHBondContact NE2-OE1 3.49Å; H530-Q536 VanDerWaalsContact NE2-OE1 3.15Å |
| 531 | H | 92.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -33 | 179.2 | -79.6 | -79.3 | 0 | 0 | 0 | 112.6 | F516 L527 I528 K535 Q536 I538 L546 | F516-H531 AromaticContact CD2-CD2 3.85Å; F516-H531 AromaticContact CD2-NE2 3.62Å; L527-H531 PolarHBondContact O-CD2 3.35Å; L527-H531 PolarHBondContact O-N 2.89Å; I528-H531 PolarHBondContact O-N 3.05Å; H531-K535 WeakPolarHBondContact O-CA 3.33Å; H531-K535 PolarHBondContact O-N 3.48Å; H531-Q536 PolarHBondContact CE1-OE1 3.09Å; H531-Q536 PolarHBondContact ND1-O 2.9Å; H531-I538 HydrophobicContact CB-CD1 4.01Å; H531-L546 HydrophobicContact CB-CD1 3.99Å; H531-L546 HydrophobicContact CB-CG 4.47Å |
| 532 | Y | 92.8 | Very high | 91.6 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.1 | -42 | 179.2 | -178.4 | -107.6 | 0 | 0 | 0 | 113 | F480 I528 D529 H530 K535 L546 L547 | F480-Y532 AromaticContact CE1-CD2 3.62Å; F480-Y532 HydrophobicContact CE1-CD2 3.62Å; F480-Y532 AromaticContact CE1-CE2 3.84Å; F480-Y532 HydrophobicContact CE1-CE2 3.84Å; F480-Y532 AromaticContact CZ-CD2 3.82Å; F480-Y532 HydrophobicContact CZ-CD2 3.82Å; F480-Y532 HydrophobicContact CZ-CE2 4.27Å; F480-Y532 HydrophobicContact CZ-CG 4.43Å; I528-Y532 WeakPolarHBondContact O-CB 3.49Å; I528-Y532 PolarHBondContact O-N 2.72Å; D529-Y532 PolarHBondContact O-N 3.09Å; H530-Y532 VanDerWaalsContact C-N 3.29Å; H530-Y532 PolarHBondContact O-N 3.11Å; Y532-K535 WeakPolarHBondContact O-CD 3.47Å; Y532-K535 VanDerWaalsContact O-CE 3.22Å; Y532-K535 WeakPolarHBondContact O-CE 3.49Å; Y532-K535 PolarHBondContact O-NZ 2.86Å; Y532-L546 HydrophobicContact CD2-CB 4.05Å; Y532-L547 VanDerWaalsContact CE2-O 3.25Å; Y532-L547 WeakPolarHBondContact CE2-O 3.23Å |
| 533 | T | 91.9 | Very high | 91.5 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -81.2 | -44.6 | -177.1 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | D529 H530 K535 | D529-T533 WeakPolarHBondContact O-CB 3.4Å; D529-T533 VanDerWaalsContact O-CG2 3.31Å; D529-T533 WeakPolarHBondContact O-CG2 3.4Å; D529-T533 PolarHBondContact O-N 2.9Å; D529-T533 PolarHBondContact O-OG1 3.25Å; H530-T533 PolarHBondContact O-N 2.79Å; H530-T533 PolarHBondContact O-OG1 3.17Å; T533-K535 VanDerWaalsContact C-N 3.3Å; T533-K535 PolarHBondContact O-N 2.84Å |
| 534 | T | 91.3 | Very high | 91.5 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -79.1 | -13.7 | -178.7 | 66 | 0 | 0 | 0 | 0 | 113.7 | H530 Q536 | H530-T534 WeakPolarHBondContact O-CB 3.45Å; H530-T534 WeakPolarHBondContact O-CG2 3.42Å; H530-T534 PolarHBondContact O-N 3.36Å; H530-T534 PolarHBondContact O-OG1 3.29Å; T534-Q536 PolarHBondContact O-N 3.49Å; T534-Q536 WeakPolarHBondContact OG1-CB 3.39Å; T534-Q536 PolarHBondContact OG1-N 2.97Å |
| 535 | K | 92.1 | Very high | 91.3 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | trans | 57.7 | 23.3 | -171.6 | -54.1 | -56.5 | -178.7 | -163.3 | 0 | 113.6 | H531 Y532 T533 V537 V545 L546 | H531-K535 WeakPolarHBondContact O-CA 3.33Å; H531-K535 PolarHBondContact O-N 3.48Å; Y532-K535 WeakPolarHBondContact O-CD 3.47Å; Y532-K535 VanDerWaalsContact O-CE 3.22Å; Y532-K535 WeakPolarHBondContact O-CE 3.49Å; Y532-K535 PolarHBondContact O-NZ 2.86Å; T533-K535 VanDerWaalsContact C-N 3.3Å; T533-K535 PolarHBondContact O-N 2.84Å; K535-V537 PolarHBondContact O-N 2.77Å; K535-V545 HydrophobicContact CB-CG1 3.89Å; K535-V545 HydrophobicContact CD-CG1 3.89Å; K535-V545 HydrophobicContact CG-CG1 4.45Å; K535-L546 PolarHBondContact NZ-O 2.65Å | ||
| 536 | Q | 90.5 | Very high | 91.2 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | trans | -63.2 | 132.3 | 173 | -172.3 | -176.2 | 33.1 | 0 | 0 | 110.5 | H530 H531 T534 | H530-Q536 PolarHBondContact CD2-OE1 3.2Å; H530-Q536 PolarHBondContact NE2-OE1 3.49Å; H530-Q536 VanDerWaalsContact NE2-OE1 3.15Å; H531-Q536 PolarHBondContact CE1-OE1 3.09Å; H531-Q536 PolarHBondContact ND1-O 2.9Å; T534-Q536 PolarHBondContact O-N 3.49Å; T534-Q536 WeakPolarHBondContact OG1-CB 3.39Å; T534-Q536 PolarHBondContact OG1-N 2.97Å | ||
| 537 | V | 92.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | trans | -60.4 | 142.3 | 176.6 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | K535 V544 V545 | K535-V537 PolarHBondContact O-N 2.77Å; V537-V544 CarbonylContact C-O 3.58Å; V537-V544 WeakPolarHBondContact CA-O 3.44Å; V537-V545 HydrophobicContact CG1-CG2 3.83Å | ||
| 538 | I | 91.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -63.8 | -44.2 | -179.2 | -60.6 | -57.5 | 0 | 0 | 0 | 111.5 | L494 F505 F516 H531 V544 L546 | L494-I538 HydrophobicContact CD2-CD1 3.63Å; L494-I538 HydrophobicContact CD2-CG1 3.99Å; L494-I538 HydrophobicContact CD2-CG2 4.34Å; F505-I538 HydrophobicContact CB-CG2 4.18Å; F505-I538 HydrophobicContact CD1-CG2 3.74Å; F505-I538 HydrophobicContact CD2-CG2 4.05Å; F505-I538 HydrophobicContact CE1-CG2 4.08Å; F505-I538 HydrophobicContact CE2-CG2 4.37Å; F505-I538 HydrophobicContact CG-CG2 3.72Å; F505-I538 HydrophobicContact CZ-CG2 4.38Å; F516-I538 HydrophobicContact CB-CG2 4.03Å; F516-I538 WeakPolarHBondContact CB-O 3.49Å; F516-I538 HydrophobicContact CD1-CG2 3.82Å; F516-I538 HydrophobicContact CD2-CD1 4.11Å; F516-I538 HydrophobicContact CD2-CG2 3.92Å; F516-I538 HydrophobicContact CE1-CG2 4.23Å; F516-I538 HydrophobicContact CE2-CD1 3.91Å; F516-I538 HydrophobicContact CE2-CG2 4.34Å; F516-I538 HydrophobicContact CG-CG2 3.66Å; F516-I538 HydrophobicContact CZ-CG2 4.49Å; H531-I538 HydrophobicContact CB-CD1 4.01Å; I538-V544 HydrophobicContact CG1-CB 4.39Å; I538-V544 HydrophobicContact CG1-CG1 4.19Å; I538-V544 PolarHBondContact N-O 3.37Å; I538-L546 HydrophobicContact CD1-CD1 4.16Å; I538-L546 HydrophobicContact CD1-CD2 4.09Å; I538-L546 HydrophobicContact CD1-CG 3.94Å; I538-L546 HydrophobicContact CG1-CD2 4.35Å |
| 539 | T | 89.2 | Confident | 91.2 | Very high | 22 Ų | 22 | 60.3 Ų | 60.3 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | trans | -140.1 | 148.1 | 169.4 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | F505 E517 K541 S542 G543 | F505-T539 HydrophobicContact CD1-CG2 4.27Å; F505-T539 HydrophobicContact CE1-CG2 4.26Å; E517-T539 VanDerWaalsContact CD-CB 3.41Å; E517-T539 HydrophobicContact CG-CG2 3.92Å; E517-T539 WeakPolarHBondContact OE1-CB 3.45Å; E517-T539 VanDerWaalsContact OE2-CA 3.28Å; E517-T539 WeakPolarHBondContact OE2-CA 3.44Å; E517-T539 VanDerWaalsContact OE2-CB 3.3Å; E517-T539 WeakPolarHBondContact OE2-CB 3.26Å; T539-K541 VanDerWaalsContact C-N 3.26Å; T539-K541 PolarHBondContact O-N 2.86Å; T539-S542 PolarHBondContact O-N 3.49Å; T539-S542 PolarHBondContact O-OG 3.16Å; T539-S542 WeakPolarHBondContact OG1-CB 3.38Å; T539-S542 PolarHBondContact OG1-N 3.38Å; T539-S542 PolarHBondContact OG1-OG 2.93Å; T539-G543 PolarHBondContact O-N 2.94Å; T539-G543 VanDerWaalsContact O-N 3.1Å | ||
| 540 | K | 85.2 | Confident | 91.3 | Very high | 190 Ų | 190 | 58.4 Ų | 58.4 | 83% | 0.826 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.1 | -179.9 | -70.1 | -177.2 | -179.9 | 179.4 | 0 | 111.9 | E517 | E517-K540 PolarHBondContact OE2-N 3.33Š|
| 541 | K | 85.3 | Confident | 91.3 | Very high | 202 Ų | 202 | 60.4 Ų | 60.4 | 88% | 0.878 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -34.8 | 179.4 | -174.8 | 176.8 | 179.7 | 178.2 | 0 | 112.8 | T539 | T539-K541 VanDerWaalsContact C-N 3.26Å; T539-K541 PolarHBondContact O-N 2.86Å |
| 542 | S | 87 | Confident | 91 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -28.1 | -174.5 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | R503 T539 V544 | R503-S542 PolarHBondContact NH1-O 3.31Å; T539-S542 PolarHBondContact O-N 3.49Å; T539-S542 PolarHBondContact O-OG 3.16Å; T539-S542 WeakPolarHBondContact OG1-CB 3.38Å; T539-S542 PolarHBondContact OG1-N 3.38Å; T539-S542 PolarHBondContact OG1-OG 2.93Å; S542-V544 PolarHBondContact O-N 3.17Å; S542-V544 VanDerWaalsContact O-N 3.15Å; S542-V544 PolarHBondContact OG-N 3.48Å |
| 543 | G | 88.8 | Confident | 90.5 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | trans | 64.7 | 10.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T539 | T539-G543 PolarHBondContact O-N 2.94Å; T539-G543 VanDerWaalsContact O-N 3.1Å | ||
| 544 | V | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -74.5 | 132.4 | -172.7 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | V496 F505 V537 I538 S542 | V496-V544 HydrophobicContact CB-CG1 4.01Å; V496-V544 HydrophobicContact CG1-CG1 3.62Å; V496-V544 HydrophobicContact CG2-CG1 4.22Å; F505-V544 HydrophobicContact CE2-CB 4.28Å; F505-V544 HydrophobicContact CE2-CG1 4.15Å; F505-V544 HydrophobicContact CE2-CG2 4.19Å; F505-V544 HydrophobicContact CZ-CB 4.07Å; F505-V544 HydrophobicContact CZ-CG1 4.45Å; F505-V544 HydrophobicContact CZ-CG2 3.78Å; V537-V544 CarbonylContact C-O 3.58Å; V537-V544 WeakPolarHBondContact CA-O 3.44Å; I538-V544 HydrophobicContact CG1-CB 4.39Å; I538-V544 HydrophobicContact CG1-CG1 4.19Å; I538-V544 PolarHBondContact N-O 3.37Å; S542-V544 PolarHBondContact O-N 3.17Å; S542-V544 VanDerWaalsContact O-N 3.15Å; S542-V544 PolarHBondContact OG-N 3.48Å | ||
| 545 | V | 92.1 | Very high | 89.8 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | trans | -119.2 | 143.6 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | K535 V537 L547 | K535-V545 HydrophobicContact CB-CG1 3.89Å; K535-V545 HydrophobicContact CD-CG1 3.89Å; K535-V545 HydrophobicContact CG-CG1 4.45Å; V537-V545 HydrophobicContact CG1-CG2 3.83Å; V545-L547 HydrophobicContact CG1-CD2 4.03Å | ||
| 546 | L | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -84 | 122.6 | 176.5 | -57 | -173.1 | 0 | 0 | 0 | 111.4 | F480 L494 V496 I528 H531 Y532 K535 I538 | F480-L546 HydrophobicContact CB-CD2 3.82Å; F480-L546 HydrophobicContact CD1-CB 3.92Å; F480-L546 HydrophobicContact CD1-CD2 4.06Å; F480-L546 HydrophobicContact CD1-CG 4.42Å; F480-L546 HydrophobicContact CD2-CD1 4.31Å; F480-L546 HydrophobicContact CD2-CD2 4.32Å; F480-L546 HydrophobicContact CE1-CB 3.92Å; F480-L546 HydrophobicContact CE2-CD1 4.28Å; F480-L546 HydrophobicContact CG-CB 4.46Å; F480-L546 HydrophobicContact CG-CD1 4.48Å; F480-L546 HydrophobicContact CG-CD2 3.82Å; F480-L546 HydrophobicContact CG-CG 4.48Å; F480-L546 HydrophobicContact CZ-CB 4.48Å; F480-L546 HydrophobicContact CZ-CD1 4.39Å; L494-L546 HydrophobicContact CD1-CD2 4.23Å; L494-L546 HydrophobicContact CD2-CD2 4.01Å; V496-L546 HydrophobicContact CG1-CD2 4.31Å; V496-L546 HydrophobicContact CG2-CD2 3.79Å; I528-L546 HydrophobicContact CD1-CD1 4.49Å; I528-L546 HydrophobicContact CG2-CD1 4.29Å; H531-L546 HydrophobicContact CB-CD1 3.99Å; H531-L546 HydrophobicContact CB-CG 4.47Å; Y532-L546 HydrophobicContact CD2-CB 4.05Å; K535-L546 PolarHBondContact NZ-O 2.65Å; I538-L546 HydrophobicContact CD1-CD1 4.16Å; I538-L546 HydrophobicContact CD1-CD2 4.09Å; I538-L546 HydrophobicContact CD1-CG 3.94Å; I538-L546 HydrophobicContact CG1-CD2 4.35Å | ||
| 547 | L | 92.3 | Very high | 89.5 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | trans | -117.2 | -47.5 | -177.4 | -55.3 | -179.3 | 0 | 0 | 0 | 113 | G478 Y532 V545 | G478-L547 PolarHBondContact O-N 3.42Å; G478-L547 VanDerWaalsContact O-N 3.11Å; Y532-L547 VanDerWaalsContact CE2-O 3.25Å; Y532-L547 WeakPolarHBondContact CE2-O 3.23Å; V545-L547 HydrophobicContact CG1-CD2 4.03Å | ||
| 548 | N | 94.3 | Very high | 89.4 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 108.5 | -168.4 | -53.9 | -57.3 | 0 | 0 | 0 | 111 | Q477 G478 D479 F480 V550 | Q477-N548 PolarHBondContact O-ND2 3.4Å; Q477-N548 VanDerWaalsContact O-ND2 3.12Å; G478-N548 PolarHBondContact O-N 3.26Å; D479-N548 CarbonylContact C-O 3.52Å; D479-N548 VanDerWaalsContact CA-O 3.29Å; D479-N548 WeakPolarHBondContact CA-O 3.48Å; D479-N548 WeakPolarHBondContact OD1-CB 3.49Å; F480-N548 VanDerWaalsContact CD1-C 3.47Å; F480-N548 WeakPolarHBondContact CD1-O 3.35Å; F480-N548 VanDerWaalsContact CE1-C 3.47Å; F480-N548 PolarHBondContact N-O 3.02Å; N548-V550 PolarHBondContact O-N 3.2Å |
| 549 | P | 94.7 | Very high | 89.3 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.2 | 174.5 | 25.9 | -30.8 | 0 | 0 | 0 | 110.2 | W460 F480 V551 | W460-P549 HydrophobicContact CB-CB 4.01Å; W460-P549 HydrophobicContact CG-CB 4.42Å; F480-P549 VanDerWaalsContact CE1-CA 3.49Å; F480-P549 HydrophobicContact CE1-CB 3.86Å; F480-P549 HydrophobicContact CE1-CG 4.4Å; F480-P549 VanDerWaalsContact CE1-N 3.28Å; F480-P549 HydrophobicContact CE2-CB 4.19Å; F480-P549 HydrophobicContact CZ-CB 3.6Å; F480-P549 HydrophobicContact CZ-CG 4.37Å; P549-V551 PolarHBondContact O-N 3.41Å |
| 550 | V | 95.2 | Very high | 89.4 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | trans | -80.6 | 108.6 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | W460 H462 L473 L474 D479 F480 L481 N548 | W460-V550 WeakPolarHBondContact CA-O 3.39Å; H462-V550 PolarHBondContact NE2-O 3.03Å; L473-V550 HydrophobicContact CB-CG1 4.21Å; L474-V550 HydrophobicContact CD2-CG2 4.08Å; D479-V550 HydrophobicContact CB-CG2 3.79Å; F480-V550 PolarHBondContact O-N 2.98Å; L481-V550 HydrophobicContact CB-CB 4.36Å; L481-V550 HydrophobicContact CD2-CB 4.42Å; L481-V550 HydrophobicContact CD2-CG1 4.47Å; N548-V550 PolarHBondContact O-N 3.2Å | ||
| 551 | V | 91.7 | Very high | 89.6 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | trans | -80.1 | 143.2 | -177.1 | -62 | 0 | 0 | 0 | 0 | 112.3 | D459 P549 | D459-V551 HydrophobicContact CB-CB 4.41Å; D459-V551 HydrophobicContact CB-CG1 4.13Å; D459-V551 CarbonylContact O-C 3.52Å; D459-V551 WeakPolarHBondContact O-CA 3.18Å; P549-V551 PolarHBondContact O-N 3.41Å | ||
| 552 | K | 86.9 | Confident | 89.9 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 11% | 0.109 | 28% | 0.28 | C | S | . | . | trans | -65.9 | 138.8 | 173.4 | 68.2 | -165.2 | 176.8 | -161.7 | 0 | 110.8 | A456 Q458 D459 K554 V557 | A456-K552 PolarHBondContact O-NZ 2.93Å; Q458-K552 PolarHBondContact O-NZ 2.89Å; D459-K552 PolarHBondContact O-N 3.46Å; K552-K554 HydrophobicContact CG-CG 4.46Å; K552-K554 PolarHBondContact O-N 2.93Å; K552-V557 HydrophobicContact CB-CG2 4.36Å | ||
| 553 | D | 83.1 | Confident | 90.3 | Very high | 80 Ų | 80 | 52 Ų | 52 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | trans | -75 | 92.3 | 176.3 | -170.9 | -15.2 | 0 | 0 | 0 | 110.2 | K555 W556 V557 | D553-K555 PolarHBondContact O-N 2.95Å; D553-K555 VanDerWaalsContact OD1-CB 3.25Å; D553-K555 WeakPolarHBondContact OD1-CB 3.46Å; D553-K555 PolarHBondContact OD1-N 3.39Å; D553-K555 VanDerWaalsContact OD1-N 3.14Å; D553-W556 PolarHBondContact O-N 3.42Å; D553-V557 WeakPolarHBondContact O-CG2 2.77Å; D553-V557 PolarHBondContact O-N 2.93Å; D553-V557 VanDerWaalsContact O-N 3.09Å | ||
| 554 | K | 81.5 | Confident | 90.6 | Very high | 135 Ų | 135 | 54.6 Ų | 54.6 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19.3 | -177.4 | -64.7 | -176.6 | -177.9 | 176.9 | 0 | 113.3 | D459 K552 W556 | D459-K554 VanDerWaalsContact CG-NZ 3.27Å; D459-K554 WeakPolarHBondContact OD1-CE 3.36Å; D459-K554 IonicContact OD1-NZ 2.88Å; D459-K554 PolarHBondContact OD1-NZ 3.24Å; D459-K554 IonicContact OD2-NZ 2.93Å; D459-K554 PolarHBondContact OD2-NZ 2.93Å; K552-K554 HydrophobicContact CG-CG 4.46Å; K552-K554 PolarHBondContact O-N 2.93Å; K554-W556 VanDerWaalsContact C-N 3.33Å |
| 555 | K | 85.4 | Confident | 90.7 | Very high | 153 Ų | 153 | 57.6 Ų | 57.6 | 67% | 0.665 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -35.8 | 176.9 | -177.3 | 179.8 | 172.6 | -176.9 | 0 | 112.2 | D553 | D553-K555 PolarHBondContact O-N 2.95Å; D553-K555 VanDerWaalsContact OD1-CB 3.25Å; D553-K555 WeakPolarHBondContact OD1-CB 3.46Å; D553-K555 PolarHBondContact OD1-N 3.39Å; D553-K555 VanDerWaalsContact OD1-N 3.14Å |
| 556 | W | 89.2 | Confident | 90.8 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -16.9 | -171.3 | -57.8 | 109.2 | 0 | 0 | 0 | 113.8 | D553 K554 L558 K613 L623 G625 V626 | D553-W556 PolarHBondContact O-N 3.42Å; K554-W556 VanDerWaalsContact C-N 3.33Å; W556-L558 PolarHBondContact O-N 3.45Å; W556-K613 HydrophobicContact CB-CD 4.41Å; W556-K613 HydrophobicContact CD2-CD 4.36Å; W556-K613 HydrophobicContact CD2-CG 3.79Å; W556-K613 HydrophobicContact CE3-CG 4.33Å; W556-K613 HydrophobicContact CG-CD 3.94Å; W556-K613 HydrophobicContact CG-CG 3.9Å; W556-K613 HydrophobicContact CZ2-CB 4.22Å; W556-K613 HydrophobicContact CZ2-CG 4.3Å; W556-K613 VanDerWaalsContact CZ2-O 3.27Å; W556-K613 WeakPolarHBondContact CZ2-O 3.45Å; W556-L623 HydrophobicContact CD2-CD2 4.45Å; W556-L623 HydrophobicContact CE3-CD2 3.85Å; W556-L623 HydrophobicContact CE3-CG 4.16Å; W556-L623 HydrophobicContact CZ3-CB 4.24Å; W556-L623 HydrophobicContact CZ3-CD2 4.05Å; W556-L623 HydrophobicContact CZ3-CG 4.15Å; W556-G625 CarbonylContact O-C 3.49Å; W556-G625 WeakPolarHBondContact O-CA 3.37Å; W556-V626 PolarHBondContact O-N 3.24Å |
| 557 | V | 88.4 | Confident | 90.8 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 119.7 | 178.9 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | K552 D553 Q629 | K552-V557 HydrophobicContact CB-CG2 4.36Å; D553-V557 WeakPolarHBondContact O-CG2 2.77Å; D553-V557 PolarHBondContact O-N 2.93Å; D553-V557 VanDerWaalsContact O-N 3.09Å; V557-Q629 HydrophobicContact CG1-CG 4.39Å |
| 558 | L | 89.9 | Confident | 90.9 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | trans | -107.3 | 150 | 172.4 | -68.9 | 173.7 | 0 | 0 | 0 | 109.8 | W556 L582 I624 V626 C627 V636 | W556-L558 PolarHBondContact O-N 3.45Å; L558-L582 HydrophobicContact CD1-CD2 4.33Å; L558-I624 HydrophobicContact CD1-CG2 4.49Å; L558-V626 PolarHBondContact N-O 3.2Å; L558-C627 WeakPolarHBondContact O-CA 3.4Å; L558-V636 HydrophobicContact CD1-CB 4.04Å; L558-V636 HydrophobicContact CD1-CG1 4.34Å; L558-V636 HydrophobicContact CD1-CG2 3.98Å | ||
| 559 | N | 89.9 | Confident | 90.6 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | trans | -87.9 | 148.4 | 169 | -49.6 | -66.2 | 0 | 0 | 0 | 109.4 | E561 D562 | N559-E561 VanDerWaalsContact CB-OE2 3.24Å; N559-E561 WeakPolarHBondContact CB-OE2 3.43Å; N559-E561 PolarHBondContact O-N 2.91Å; N559-D562 VanDerWaalsContact CB-OD2 3.31Å; N559-D562 WeakPolarHBondContact CB-OD2 3.37Å; N559-D562 PolarHBondContact N-OD2 3.18Å; N559-D562 VanDerWaalsContact N-OD2 3.16Å; N559-D562 PolarHBondContact ND2-OD2 2.93Å; N559-D562 VanDerWaalsContact O-CB 3.28Å; N559-D562 WeakPolarHBondContact O-CB 3.47Å; N559-D562 PolarHBondContact O-N 3.11Å | ||
| 560 | H | 90.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.046 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -60.1 | -30.3 | 178 | -72.3 | 71 | 0 | 0 | 0 | 112.2 | D562 V563 C627 R630 P632 Y634 | H560-D562 PolarHBondContact O-N 3.48Å; H560-V563 PolarHBondContact O-N 2.97Å; H560-V563 VanDerWaalsContact O-N 3.14Å; H560-V563 VanDerWaalsContact O-O 3.06Å; H560-C627 WeakPolarHBondContact CE1-CB 3.37Å; H560-C627 PolarHBondContact CE1-O 3.3Å; H560-R630 HydrophobicContact CB-CG 4.43Å; H560-R630 PolarHBondContact CE1-O 3.31Å; H560-R630 WeakPolarHBondContact ND1-CG 3.37Å; H560-R630 PolarHBondContact NE2-O 3.22Å; H560-P632 PolarHBondContact NE2-O 3.04Å; H560-Y634 AromaticContact CD2-CD2 3.72Å; H560-Y634 AromaticContact CD2-CE2 3.4Å; H560-Y634 VanDerWaalsContact CD2-CE2 3.4Å; H560-Y634 WeakPolarHBondContact CD2-CE2 3.44Å; H560-Y634 AromaticContact CD2-CZ 3.92Å |
| 561 | E | 90 | Very high | 89.7 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -66.6 | -19.6 | 176.5 | -59.1 | 66.7 | -138 | 0 | 0 | 112.1 | N559 V563 K583 R630 | N559-E561 VanDerWaalsContact CB-OE2 3.24Å; N559-E561 WeakPolarHBondContact CB-OE2 3.43Å; N559-E561 PolarHBondContact O-N 2.91Å; E561-V563 VanDerWaalsContact C-N 3.28Å; E561-K583 WeakPolarHBondContact O-CE 3.34Å; E561-R630 IonicContact OE1-CZ 2.82Å; E561-R630 IonicContact OE1-NE 2.84Å; E561-R630 IonicContact OE1-NH1 2.93Å; E561-R630 IonicContact OE1-NH2 2.67Å; E561-R630 PolarHBondContact OE1-NH2 3.47Å |
| 562 | D | 90.9 | Very high | 88.9 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 17% | 0.166 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -81.3 | -9.7 | 177.4 | -56 | -39.6 | 0 | 0 | 0 | 112.5 | N559 H560 L582 K583 | N559-D562 VanDerWaalsContact CB-OD2 3.31Å; N559-D562 WeakPolarHBondContact CB-OD2 3.37Å; N559-D562 PolarHBondContact N-OD2 3.18Å; N559-D562 VanDerWaalsContact N-OD2 3.16Å; N559-D562 PolarHBondContact ND2-OD2 2.93Å; N559-D562 VanDerWaalsContact O-CB 3.28Å; N559-D562 WeakPolarHBondContact O-CB 3.47Å; N559-D562 PolarHBondContact O-N 3.11Å; H560-D562 PolarHBondContact O-N 3.48Å; D562-L582 CarbonylContact O-C 3.58Å; D562-L582 VanDerWaalsContact O-CA 3.31Å; D562-L582 WeakPolarHBondContact O-CA 3.42Å; D562-K583 HydrophobicContact CB-CD 4.35Å; D562-K583 PolarHBondContact O-N 2.96Å; D562-K583 VanDerWaalsContact O-N 3.1Å; D562-K583 VanDerWaalsContact OD1-CD 3.23Å; D562-K583 WeakPolarHBondContact OD1-CD 3.38Å; D562-K583 WeakPolarHBondContact OD1-CE 3.38Å; D562-K583 IonicContact OD1-NZ 2.64Å; D562-K583 PolarHBondContact OD1-NZ 3.21Å |
| 563 | V | 94.9 | Very high | 88.3 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 117.1 | -173.3 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | H560 E561 L582 V590 V636 | H560-V563 PolarHBondContact O-N 2.97Å; H560-V563 VanDerWaalsContact O-N 3.14Å; H560-V563 VanDerWaalsContact O-O 3.06Å; E561-V563 VanDerWaalsContact C-N 3.28Å; V563-L582 HydrophobicContact CG2-CD2 3.85Å; V563-V590 HydrophobicContact CG1-CG2 3.76Å; V563-V636 HydrophobicContact CG2-CG2 4.1Å |
| 564 | T | 95.6 | Very high | 88.1 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 60% | 0.595 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.2 | 170.2 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | G580 T581 | T564-G580 CarbonylContact O-C 3.49Å; T564-G580 WeakPolarHBondContact O-CA 3.45Å; T564-T581 PolarHBondContact N-O 2.97Å; T564-T581 PolarHBondContact O-N 3.4Å |
| 565 | L | 95.2 | Very high | 88.2 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.4 | 173.4 | -61.7 | -176 | 0 | 0 | 0 | 111.1 | Y578 V590 Y634 | L565-Y578 HydrophobicContact CD1-CD2 4.42Å; L565-V590 HydrophobicContact CD2-CB 3.73Å; L565-V590 HydrophobicContact CD2-CG1 3.65Å; L565-V590 HydrophobicContact CD2-CG2 3.93Å; L565-Y634 HydrophobicContact CD1-CE1 4.44Å; L565-Y634 WeakPolarHBondContact CD1-OH 3.48Å; L565-Y634 HydrophobicContact CD2-CE2 4.41Å |
| 566 | G | 94.1 | Very high | 88.5 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | -137.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K579 | G566-K579 VanDerWaalsContact CA-O 3.32Å; G566-K579 WeakPolarHBondContact CA-O 3.49Å; G566-K579 PolarHBondContact N-O 3.18Å |
| 567 | E | 93.4 | Very high | 88.7 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 150.1 | -176.6 | 68.5 | -167.2 | 145.8 | 0 | 0 | 113.3 | L569 Y578 K579 | E567-L569 HydrophobicContact CG-CD2 4.42Å; E567-L569 PolarHBondContact O-N 3.48Å; E567-Y578 CarbonylContact O-C 3.57Å; E567-Y578 WeakPolarHBondContact O-CA 3.39Å; E567-K579 HydrophobicContact CG-CB 3.91Å; E567-K579 HydrophobicContact CG-CD 4.01Å; E567-K579 PolarHBondContact O-N 3.07Å; E567-K579 WeakPolarHBondContact OE1-CD 3.4Å; E567-K579 IonicContact OE1-NZ 2.72Å; E567-K579 PolarHBondContact OE1-NZ 3.28Å; E567-K579 VanDerWaalsContact OE1-NZ 3.13Å |
| 568 | L | 94.1 | Very high | 89 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 45% | 0.45 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.1 | 174 | -178.4 | 71.3 | 0 | 0 | 0 | 110 | G570 E576 Y578 | L568-G570 WeakPolarHBondContact CD1-O 3.5Å; L568-E576 HydrophobicContact CD1-CB 3.55Å; L568-E576 HydrophobicContact CD1-CG 3.72Å; L568-Y578 HydrophobicContact CB-CD1 4.26Å; L568-Y578 HydrophobicContact CB-CE1 4.17Å; L568-Y578 HydrophobicContact CD1-CD1 4.15Å; L568-Y578 HydrophobicContact CD1-CE1 3.81Å |
| 569 | L | 88.7 | Confident | 89.2 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 45% | 0.45 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -34.8 | 176.4 | -63.4 | 175.6 | 0 | 0 | 0 | 112.3 | E567 V577 K579 L639 | E567-L569 HydrophobicContact CG-CD2 4.42Å; E567-L569 PolarHBondContact O-N 3.48Å; L569-V577 WeakPolarHBondContact CA-O 3.42Å; L569-V577 WeakPolarHBondContact CB-O 3.43Å; L569-V577 PolarHBondContact N-O 3.2Å; L569-K579 HydrophobicContact CD1-CB 3.96Å; L569-K579 HydrophobicContact CD2-CB 4.05Å; L569-K579 HydrophobicContact CG-CB 3.96Å; L569-L639 HydrophobicContact CD1-CD1 3.64Å |
| 570 | G | 85.6 | Confident | 89.5 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L568 V577 | L568-G570 WeakPolarHBondContact CD1-O 3.5Å; G570-V577 PolarHBondContact N-O 3.41Å; G570-V577 VanDerWaalsContact N-O 3.14Å; G570-V577 PolarHBondContact O-N 3.03Å |
| 571 | K | 83.9 | Confident | 89.8 | Confident | 156 Ų | 156 | 57.5 Ų | 57.5 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.3 | 175.8 | -66.5 | -173.9 | 177.4 | -178 | 0 | 109 | E576 | K571-E576 HydrophobicContact CG-CG 4.31Å |
| 572 | G | 75.2 | Confident | 90.1 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -173.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F574 G575 | G572-F574 PolarHBondContact O-N 3.05Å; G572-G575 PolarHBondContact N-O 2.94Å; G572-G575 PolarHBondContact O-N 3.08Å |
| 573 | N | 73.8 | Confident | 90.1 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.2 | -176.8 | -65.4 | -26.3 | 0 | 0 | 0 | 114 | Q721 | N573-Q721 PolarHBondContact OD1-OE1 3.49Š|
| 574 | F | 79.4 | Confident | 89.9 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.044 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -12.1 | -175.5 | -53 | -75.1 | 0 | 0 | 0 | 113.8 | G572 K594 L597 L601 K604 F605 | G572-F574 PolarHBondContact O-N 3.05Å; F574-K594 PolarHBondContact O-N 3.28Å; F574-K594 VanDerWaalsContact O-N 3.11Å; F574-L597 HydrophobicContact CB-CD1 4.27Å; F574-L597 WeakPolarHBondContact O-CD1 3.49Å; F574-L601 HydrophobicContact CD1-CB 4.19Å; F574-L601 VanDerWaalsContact CD1-O 3.27Å; F574-L601 WeakPolarHBondContact CD1-O 3.49Å; F574-L601 HydrophobicContact CE1-CB 4.16Å; F574-L601 HydrophobicContact CE1-CD2 4.43Å; F574-L601 WeakPolarHBondContact CE1-O 3.37Å; F574-K604 HydrophobicContact CE1-CB 3.72Å; F574-K604 HydrophobicContact CZ-CB 3.74Å; F574-F605 HydrophobicContact CB-CB 4.4Å; F574-F605 HydrophobicContact CB-CD2 3.62Å; F574-F605 HydrophobicContact CB-CE2 4.33Å; F574-F605 HydrophobicContact CB-CG 4.39Å; F574-F605 HydrophobicContact CD1-CB 3.99Å; F574-F605 HydrophobicContact CD2-CD2 4.04Å; F574-F605 HydrophobicContact CE1-CB 4.41Å; F574-F605 HydrophobicContact CG-CB 4.05Å; F574-F605 AromaticContact CG-CD2 3.85Å; F574-F605 HydrophobicContact CG-CD2 3.85Å; F574-F605 HydrophobicContact CG-CG 4.43Å |
| 575 | G | 84.4 | Confident | 89.7 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -167.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G572 T592 | G572-G575 PolarHBondContact N-O 2.94Å; G572-G575 PolarHBondContact O-N 3.08Å; G575-T592 WeakPolarHBondContact CA-O 3.46Å |
| 576 | E | 91.1 | Very high | 89.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 15% | 0.15 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 147.1 | 178.4 | -68.8 | 77.3 | -160.6 | 0 | 0 | 112.1 | L568 K571 Y578 T592 K594 | L568-E576 HydrophobicContact CD1-CB 3.55Å; L568-E576 HydrophobicContact CD1-CG 3.72Å; K571-E576 HydrophobicContact CG-CG 4.31Å; E576-Y578 HydrophobicContact CB-CD2 4.15Å; E576-Y578 HydrophobicContact CB-CE2 3.35Å; E576-Y578 HydrophobicContact CG-CE2 4.33Å; E576-T592 PolarHBondContact N-OG1 3.04Å; E576-T592 PolarHBondContact O-N 3.47Å; E576-T592 PolarHBondContact O-OG1 3.14Å; E576-K594 VanDerWaalsContact CD-CE 3.4Å; E576-K594 WeakPolarHBondContact OE1-CE 3.37Å; E576-K594 IonicContact OE1-NZ 3.91Å; E576-K594 PolarHBondContact OE1-NZ 3.48Å; E576-K594 WeakPolarHBondContact OE2-CE 3.46Å; E576-K594 IonicContact OE2-NZ 3.7Å |
| 577 | V | 92.6 | Very high | 89.8 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.6 | 170.8 | -170.6 | 0 | 0 | 0 | 0 | 108 | L569 G570 V590 K591 | L569-V577 WeakPolarHBondContact CA-O 3.42Å; L569-V577 WeakPolarHBondContact CB-O 3.43Å; L569-V577 PolarHBondContact N-O 3.2Å; G570-V577 PolarHBondContact N-O 3.41Å; G570-V577 VanDerWaalsContact N-O 3.14Å; G570-V577 PolarHBondContact O-N 3.03Å; V577-V590 WeakPolarHBondContact CA-O 3.32Å; V577-K591 HydrophobicContact CG2-CG 4.06Å |
| 578 | Y | 95.1 | Very high | 89.9 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 153.2 | 179.8 | -62.4 | -89.1 | 0 | 0 | 0 | 110.8 | L565 E567 L568 E576 V590 T592 | L565-Y578 HydrophobicContact CD1-CD2 4.42Å; E567-Y578 CarbonylContact O-C 3.57Å; E567-Y578 WeakPolarHBondContact O-CA 3.39Å; L568-Y578 HydrophobicContact CB-CD1 4.26Å; L568-Y578 HydrophobicContact CB-CE1 4.17Å; L568-Y578 HydrophobicContact CD1-CD1 4.15Å; L568-Y578 HydrophobicContact CD1-CE1 3.81Å; E576-Y578 HydrophobicContact CB-CD2 4.15Å; E576-Y578 HydrophobicContact CB-CE2 3.35Å; E576-Y578 HydrophobicContact CG-CE2 4.33Å; Y578-V590 PolarHBondContact N-O 3.42Å; Y578-V590 PolarHBondContact O-N 3.31Å; Y578-T592 HydrophobicContact CD2-CG2 3.67Å; Y578-T592 HydrophobicContact CE2-CG2 3.75Å |
| 579 | K | 95.8 | Very high | 90 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 141.2 | 156.5 | -170.3 | 173.6 | 176.6 | 177.8 | 0 | 107.2 | G566 E567 L569 V588 L639 | G566-K579 VanDerWaalsContact CA-O 3.32Å; G566-K579 WeakPolarHBondContact CA-O 3.49Å; G566-K579 PolarHBondContact N-O 3.18Å; E567-K579 HydrophobicContact CG-CB 3.91Å; E567-K579 HydrophobicContact CG-CD 4.01Å; E567-K579 PolarHBondContact O-N 3.07Å; E567-K579 WeakPolarHBondContact OE1-CD 3.4Å; E567-K579 IonicContact OE1-NZ 2.72Å; E567-K579 PolarHBondContact OE1-NZ 3.28Å; E567-K579 VanDerWaalsContact OE1-NZ 3.13Å; L569-K579 HydrophobicContact CD1-CB 3.96Å; L569-K579 HydrophobicContact CD2-CB 4.05Å; L569-K579 HydrophobicContact CG-CB 3.96Å; K579-V588 CarbonylContact C-O 3.4Å; K579-L639 HydrophobicContact CD-CD2 4.26Å; K579-L639 HydrophobicContact CG-CD2 3.95Å |
| 580 | G | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 173.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T564 V588 | T564-G580 CarbonylContact O-C 3.49Å; T564-G580 WeakPolarHBondContact O-CA 3.45Å; G580-V588 VanDerWaalsContact C-CG2 3.45Å; G580-V588 PolarHBondContact N-O 3Å; G580-V588 PolarHBondContact O-N 3.09Å |
| 581 | T | 96.8 | Very high | 90.8 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 32% | 0.319 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 128.2 | 174.8 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | T564 K585 T586 | T564-T581 PolarHBondContact N-O 2.97Å; T564-T581 PolarHBondContact O-N 3.4Å; T581-K585 HydrophobicContact CG2-CD 4.39Å; T581-T586 WeakPolarHBondContact CA-O 3.29Å |
| 582 | L | 95.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 164.5 | 173.3 | -67.1 | 178.5 | 0 | 0 | 0 | 111 | L558 D562 V563 D584 K585 T586 V588 I624 V636 | L558-L582 HydrophobicContact CD1-CD2 4.33Å; D562-L582 CarbonylContact O-C 3.58Å; D562-L582 VanDerWaalsContact O-CA 3.31Å; D562-L582 WeakPolarHBondContact O-CA 3.42Å; V563-L582 HydrophobicContact CG2-CD2 3.85Å; L582-D584 VanDerWaalsContact CB-OD1 3.23Å; L582-D584 WeakPolarHBondContact CB-OD1 3.28Å; L582-D584 PolarHBondContact O-N 2.95Å; L582-K585 WeakPolarHBondContact O-CA 3.4Å; L582-K585 PolarHBondContact O-N 2.92Å; L582-T586 PolarHBondContact N-O 3.34Å; L582-V588 HydrophobicContact CD1-CG1 3.8Å; L582-V588 HydrophobicContact CD2-CG1 4.47Å; L582-V588 HydrophobicContact CG-CG1 3.72Å; L582-V588 HydrophobicContact CG-CG2 4.37Å; L582-I624 HydrophobicContact CD1-CG2 3.9Å; L582-V636 HydrophobicContact CD2-CG1 4.38Å |
| 583 | K | 90.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 44.9 Ų | 44.9 | 61% | 0.609 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -36.9 | 177.2 | -86.1 | 178.5 | -179.5 | 168 | 0 | 113.8 | E561 D562 K585 | E561-K583 WeakPolarHBondContact O-CE 3.34Å; D562-K583 HydrophobicContact CB-CD 4.35Å; D562-K583 PolarHBondContact O-N 2.96Å; D562-K583 VanDerWaalsContact O-N 3.1Å; D562-K583 VanDerWaalsContact OD1-CD 3.23Å; D562-K583 WeakPolarHBondContact OD1-CD 3.38Å; D562-K583 WeakPolarHBondContact OD1-CE 3.38Å; D562-K583 IonicContact OD1-NZ 2.64Å; D562-K583 PolarHBondContact OD1-NZ 3.21Å; K583-K585 PolarHBondContact O-N 3.15Å |
| 584 | D | 91.5 | Very high | 92.2 | Very high | 110 Ų | 110 | 45 Ų | 45 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 7 | 177.3 | 70.2 | -8.9 | 0 | 0 | 0 | 114 | L582 T586 | L582-D584 VanDerWaalsContact CB-OD1 3.23Å; L582-D584 WeakPolarHBondContact CB-OD1 3.28Å; L582-D584 PolarHBondContact O-N 2.95Å; D584-T586 VanDerWaalsContact C-N 3.27Å; D584-T586 PolarHBondContact O-N 3.5Å; D584-T586 WeakPolarHBondContact OD1-CB 3.31Å; D584-T586 PolarHBondContact OD1-N 3.24Å; D584-T586 PolarHBondContact OD1-OG1 2.94Å; D584-T586 PolarHBondContact OD2-OG1 3.33Å |
| 585 | K | 91.7 | Very high | 92.1 | Very high | 166 Ų | 166 | 50.2 Ų | 50.2 | 72% | 0.722 | 25% | 0.249 | S | C | * | . | trans | 72.3 | 8.8 | -176.6 | -50.4 | -59.6 | -175.1 | -177 | 0 | 115.3 | T581 L582 K583 P587 | T581-K585 HydrophobicContact CG2-CD 4.39Å; L582-K585 WeakPolarHBondContact O-CA 3.4Å; L582-K585 PolarHBondContact O-N 2.92Å; K583-K585 PolarHBondContact O-N 3.15Å; K585-P587 WeakPolarHBondContact O-CD 3.45Å | ||
| 586 | T | 95 | Very high | 91.9 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | trans | -65.3 | 125.1 | 174.1 | -61 | 0 | 0 | 0 | 0 | 110.5 | T581 L582 D584 V588 | T581-T586 WeakPolarHBondContact CA-O 3.29Å; L582-T586 PolarHBondContact N-O 3.34Å; D584-T586 VanDerWaalsContact C-N 3.27Å; D584-T586 PolarHBondContact O-N 3.5Å; D584-T586 WeakPolarHBondContact OD1-CB 3.31Å; D584-T586 PolarHBondContact OD1-N 3.24Å; D584-T586 PolarHBondContact OD1-OG1 2.94Å; D584-T586 PolarHBondContact OD2-OG1 3.33Å; T586-V588 HydrophobicContact CG2-CG1 4.39Å | ||
| 587 | P | 95.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 47% | 0.468 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 136.5 | 176 | 30.3 | -33.9 | 0 | 0 | 0 | 111.1 | K585 L639 | K585-P587 WeakPolarHBondContact O-CD 3.45Å; P587-L639 HydrophobicContact CB-CB 4.41Å; P587-L639 HydrophobicContact CB-CD2 3.93Å |
| 588 | V | 97 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 159.6 | -174.4 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | K579 G580 L582 T586 V590 I624 V636 M637 | K579-V588 CarbonylContact C-O 3.4Å; G580-V588 VanDerWaalsContact C-CG2 3.45Å; G580-V588 PolarHBondContact N-O 3Å; G580-V588 PolarHBondContact O-N 3.09Å; L582-V588 HydrophobicContact CD1-CG1 3.8Å; L582-V588 HydrophobicContact CD2-CG1 4.47Å; L582-V588 HydrophobicContact CG-CG1 3.72Å; L582-V588 HydrophobicContact CG-CG2 4.37Å; T586-V588 HydrophobicContact CG2-CG1 4.39Å; V588-V590 HydrophobicContact CG2-CG2 3.84Å; V588-I624 HydrophobicContact CB-CD1 4.39Å; V588-I624 HydrophobicContact CG1-CD1 3.45Å; V588-I624 VanDerWaalsContact CG1-CD1 3.45Å; V588-V636 HydrophobicContact CB-CG1 3.68Å; V588-V636 HydrophobicContact CG1-CG1 3.89Å; V588-V636 HydrophobicContact CG2-CG1 3.77Å; V588-M637 WeakPolarHBondContact CA-O 3.35Å; V588-M637 WeakPolarHBondContact CB-O 3.49Å |
| 589 | A | 96.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V636 M637 L639 | A589-V636 WeakPolarHBondContact O-CA 3.48Å; A589-M637 PolarHBondContact N-O 3.09Å; A589-M637 PolarHBondContact O-N 3.07Å; A589-L639 HydrophobicContact CB-CD1 4.21Å |
| 590 | V | 95.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 105.2 | -176.1 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | V563 L565 V577 Y578 V588 Y634 V636 | V563-V590 HydrophobicContact CG1-CG2 3.76Å; L565-V590 HydrophobicContact CD2-CB 3.73Å; L565-V590 HydrophobicContact CD2-CG1 3.65Å; L565-V590 HydrophobicContact CD2-CG2 3.93Å; V577-V590 WeakPolarHBondContact CA-O 3.32Å; Y578-V590 PolarHBondContact N-O 3.42Å; Y578-V590 PolarHBondContact O-N 3.31Å; V588-V590 HydrophobicContact CG2-CG2 3.84Å; V590-Y634 HydrophobicContact CG1-CD1 4.04Å; V590-Y634 HydrophobicContact CG1-CD2 3.99Å; V590-Y634 HydrophobicContact CG1-CG 3.66Å; V590-V636 HydrophobicContact CG1-CG2 4.48Å |
| 591 | K | 94 | Very high | 87.3 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.5 | 172.3 | -151.2 | -178.8 | -168.1 | 168.6 | 0 | 107.8 | V577 F605 E608 Y634 I635 M637 D702 | V577-K591 HydrophobicContact CG2-CG 4.06Å; K591-F605 HydrophobicContact CB-CE2 4.07Å; K591-F605 HydrophobicContact CB-CZ 4.37Å; K591-F605 HydrophobicContact CD-CD2 4.45Å; K591-F605 HydrophobicContact CD-CE2 3.89Å; K591-F605 HydrophobicContact CG-CE2 3.83Å; K591-F605 WeakPolarHBondContact O-CZ 3.45Å; K591-E608 WeakPolarHBondContact CD-OE2 3.36Å; K591-E608 WeakPolarHBondContact CE-OE2 3.47Å; K591-E608 IonicContact NZ-OE1 3.79Å; K591-E608 PolarHBondContact NZ-OE1 3.45Å; K591-E608 IonicContact NZ-OE2 2.86Å; K591-E608 PolarHBondContact NZ-OE2 2.96Å; K591-Y634 WeakPolarHBondContact O-CA 3.38Å; K591-I635 HydrophobicContact CB-CB 4.26Å; K591-I635 PolarHBondContact N-O 2.98Å; K591-I635 PolarHBondContact O-N 3.15Å; K591-M637 HydrophobicContact CB-CE 4.11Å; K591-D702 IonicContact NZ-OD1 3.87Å; K591-D702 PolarHBondContact NZ-OD1 3.29Å |
| 592 | T | 91.7 | Very high | 86.4 | Confident | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 145 | 179.4 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | G575 E576 Y578 Y634 | G575-T592 WeakPolarHBondContact CA-O 3.46Å; E576-T592 PolarHBondContact N-OG1 3.04Å; E576-T592 PolarHBondContact O-N 3.47Å; E576-T592 PolarHBondContact O-OG1 3.14Å; Y578-T592 HydrophobicContact CD2-CG2 3.67Å; Y578-T592 HydrophobicContact CE2-CG2 3.75Å; T592-Y634 HydrophobicContact CG2-CD1 3.67Å; T592-Y634 HydrophobicContact CG2-CE1 3.55Å |
| 593 | C | 87.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | trans | -106.1 | 123 | 172.4 | -166.2 | 0 | 0 | 0 | 0 | 109.5 | F605 I633 | C593-F605 HydrophobicContact CB-CD1 3.57Å; C593-F605 HydrophobicContact CB-CD2 4.05Å; C593-F605 HydrophobicContact CB-CE1 3.58Å; C593-F605 HydrophobicContact CB-CE2 4.03Å; C593-F605 HydrophobicContact CB-CG 3.81Å; C593-F605 HydrophobicContact CB-CZ 3.81Å; C593-I633 HydrophobicContact CB-CB 4.49Å; C593-I633 PolarHBondContact N-O 3.13Å; C593-I633 VanDerWaalsContact N-O 3.13Å | ||
| 594 | K | 82.3 | Confident | 84.9 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | trans | -68 | 139.7 | 178.7 | -62.6 | -176.3 | 173.6 | -172.6 | 0 | 111.6 | F574 E576 D596 L597 K602 | F574-K594 PolarHBondContact O-N 3.28Å; F574-K594 VanDerWaalsContact O-N 3.11Å; E576-K594 VanDerWaalsContact CD-CE 3.4Å; E576-K594 WeakPolarHBondContact OE1-CE 3.37Å; E576-K594 IonicContact OE1-NZ 3.91Å; E576-K594 PolarHBondContact OE1-NZ 3.48Å; E576-K594 WeakPolarHBondContact OE2-CE 3.46Å; E576-K594 IonicContact OE2-NZ 3.7Å; K594-D596 VanDerWaalsContact C-N 3.29Å; K594-D596 VanDerWaalsContact CB-OD1 3.26Å; K594-D596 WeakPolarHBondContact CB-OD1 3.32Å; K594-D596 PolarHBondContact O-N 2.87Å; K594-L597 HydrophobicContact CB-CD1 4.19Å; K594-L597 HydrophobicContact CB-CG 4.04Å; K594-L597 PolarHBondContact O-N 3.44Å; K594-K602 WeakPolarHBondContact O-CE 3.23Å | ||
| 595 | E | 78.8 | Confident | 84.5 | Confident | 118 Ų | 118 | 54.2 Ų | 54.2 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -27 | -176.1 | -69.5 | -178.5 | -166.6 | 0 | 0 | 113.5 | L597 K602 Q631 | E595-L597 VanDerWaalsContact C-N 3.33Å; E595-K602 WeakPolarHBondContact O-CE 3.41Å; E595-K602 PolarHBondContact O-NZ 3.38Å; E595-Q631 HydrophobicContact CG-CB 4.03Å; E595-Q631 HydrophobicContact CG-CG 4.37Å; E595-Q631 VanDerWaalsContact OE1-CB 3.32Å; E595-Q631 WeakPolarHBondContact OE1-CB 3.37Å |
| 596 | D | 78.6 | Confident | 84.2 | Confident | 137 Ų | 137 | 46.9 Ų | 46.9 | 73% | 0.733 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.9 | -178 | 63.7 | -27.5 | 0 | 0 | 0 | 113.8 | K594 | K594-D596 VanDerWaalsContact C-N 3.29Å; K594-D596 VanDerWaalsContact CB-OD1 3.26Å; K594-D596 WeakPolarHBondContact CB-OD1 3.32Å; K594-D596 PolarHBondContact O-N 2.87Å |
| 597 | L | 76.8 | Confident | 83.6 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -69.7 | 144.7 | 179.2 | -72 | 176 | 0 | 0 | 0 | 113 | F574 K594 E595 L601 K602 | F574-L597 HydrophobicContact CB-CD1 4.27Å; F574-L597 WeakPolarHBondContact O-CD1 3.49Å; K594-L597 HydrophobicContact CB-CD1 4.19Å; K594-L597 HydrophobicContact CB-CG 4.04Å; K594-L597 PolarHBondContact O-N 3.44Å; E595-L597 VanDerWaalsContact C-N 3.33Å; L597-L601 HydrophobicContact CB-CB 4.48Å; L597-L601 HydrophobicContact CD2-CD1 4.16Å; L597-K602 HydrophobicContact CB-CG 4.24Å; L597-K602 WeakPolarHBondContact O-CE 3.31Å |
| 598 | P | 75.5 | Confident | 83.3 | Confident | 78 Ų | 78 | 41.1 Ų | 41.1 | 51% | 0.506 | 21% | 0.208 | S | C | . | . | trans | -51.7 | 144.2 | 168.8 | -26.3 | 32.8 | 0 | 0 | 0 | 112.6 | E600 L601 K602 | P598-E600 PolarHBondContact O-N 2.93Å; P598-E600 VanDerWaalsContact O-N 3.16Å; P598-L601 HydrophobicContact CG-CD1 4.45Å; P598-L601 PolarHBondContact O-N 3.31Å; P598-K602 PolarHBondContact O-N 3.34Å | ||
| 599 | Q | 72.2 | Confident | 82.9 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.8 | -37.5 | -175.9 | -167.7 | 67.1 | 5.2 | 0 | 0 | 113 | P466 L601 K602 I603 | P466-Q599 VanDerWaalsContact CB-NE2 3.31Å; Q599-L601 VanDerWaalsContact C-N 3.28Å; Q599-L601 PolarHBondContact O-N 2.89Å; Q599-K602 PolarHBondContact O-N 3.27Å; Q599-I603 HydrophobicContact CG-CD1 4.12Å; Q599-I603 WeakPolarHBondContact O-CD1 3.41Å; Q599-I603 VanDerWaalsContact O-CG1 3.3Å; Q599-I603 WeakPolarHBondContact O-CG1 3.3Å; Q599-I603 PolarHBondContact O-N 2.97Å |
| 600 | E | 74.6 | Confident | 82.4 | Confident | 141 Ų | 141 | 45.8 Ų | 45.8 | 66% | 0.659 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.2 | -36.9 | 176.5 | -64.8 | 169.1 | -163 | 0 | 0 | 112.9 | P598 K604 | P598-E600 PolarHBondContact O-N 2.93Å; P598-E600 VanDerWaalsContact O-N 3.16Å; E600-K604 WeakPolarHBondContact O-CG 3.41Å; E600-K604 PolarHBondContact O-N 3.43Å; E600-K604 VanDerWaalsContact O-N 3.16Å |
| 601 | L | 75.9 | Confident | 82.1 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 29% | 0.288 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -75.8 | -35.1 | 177.5 | -63.7 | -174.7 | 0 | 0 | 0 | 111.3 | F574 L597 P598 Q599 I603 K604 F605 | F574-L601 HydrophobicContact CD1-CB 4.19Å; F574-L601 VanDerWaalsContact CD1-O 3.27Å; F574-L601 WeakPolarHBondContact CD1-O 3.49Å; F574-L601 HydrophobicContact CE1-CB 4.16Å; F574-L601 HydrophobicContact CE1-CD2 4.43Å; F574-L601 WeakPolarHBondContact CE1-O 3.37Å; L597-L601 HydrophobicContact CB-CB 4.48Å; L597-L601 HydrophobicContact CD2-CD1 4.16Å; P598-L601 HydrophobicContact CG-CD1 4.45Å; P598-L601 PolarHBondContact O-N 3.31Å; Q599-L601 VanDerWaalsContact C-N 3.28Å; Q599-L601 PolarHBondContact O-N 2.89Å; L601-I603 VanDerWaalsContact C-N 3.32Å; L601-I603 PolarHBondContact O-N 3.14Å; L601-K604 HydrophobicContact CD2-CD 4.2Å; L601-K604 PolarHBondContact O-N 3.1Å; L601-F605 PolarHBondContact O-N 2.9Å |
| 602 | K | 76.9 | Confident | 82 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 173.9 | -64.3 | -177.8 | 174.8 | 170.1 | 0 | 112.5 | K594 E595 L597 P598 Q599 F605 L606 | K594-K602 WeakPolarHBondContact O-CE 3.23Å; E595-K602 WeakPolarHBondContact O-CE 3.41Å; E595-K602 PolarHBondContact O-NZ 3.38Å; L597-K602 HydrophobicContact CB-CG 4.24Å; L597-K602 WeakPolarHBondContact O-CE 3.31Å; P598-K602 PolarHBondContact O-N 3.34Å; Q599-K602 PolarHBondContact O-N 3.27Å; K602-F605 WeakPolarHBondContact O-CB 3.42Å; K602-F605 PolarHBondContact O-N 2.83Å; K602-L606 PolarHBondContact O-N 2.59Å; K602-L606 VanDerWaalsContact O-N 3.14Å |
| 603 | I | 77.1 | Confident | 81.9 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 173.2 | -66.9 | 156.8 | 0 | 0 | 0 | 110.2 | P466 I468 Q599 L601 F605 L606 S607 | P466-I603 HydrophobicContact CB-CG1 4.34Å; I468-I603 HydrophobicContact CB-CD1 3.76Å; I468-I603 HydrophobicContact CB-CG1 4.15Å; I468-I603 HydrophobicContact CD1-CD1 3.27Å; I468-I603 HydrophobicContact CG1-CD1 3.93Å; I468-I603 HydrophobicContact CG2-CD1 4.15Å; I468-I603 HydrophobicContact CG2-CG1 4.43Å; I468-I603 HydrophobicContact CG2-CG2 4.37Å; Q599-I603 HydrophobicContact CG-CD1 4.12Å; Q599-I603 WeakPolarHBondContact O-CD1 3.41Å; Q599-I603 VanDerWaalsContact O-CG1 3.3Å; Q599-I603 WeakPolarHBondContact O-CG1 3.3Å; Q599-I603 PolarHBondContact O-N 2.97Å; L601-I603 VanDerWaalsContact C-N 3.32Å; L601-I603 PolarHBondContact O-N 3.14Å; I603-F605 VanDerWaalsContact C-N 3.25Å; I603-F605 PolarHBondContact O-N 3.26Å; I603-L606 PolarHBondContact O-N 2.99Å; I603-S607 PolarHBondContact O-N 3.4Å |
| 604 | K | 77.2 | Confident | 82 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 174.1 | -71.6 | 174.5 | -174 | 175.4 | 0 | 112.1 | F574 E600 L601 S607 | F574-K604 HydrophobicContact CE1-CB 3.72Å; F574-K604 HydrophobicContact CZ-CB 3.74Å; E600-K604 WeakPolarHBondContact O-CG 3.41Å; E600-K604 PolarHBondContact O-N 3.43Å; E600-K604 VanDerWaalsContact O-N 3.16Å; L601-K604 HydrophobicContact CD2-CD 4.2Å; L601-K604 PolarHBondContact O-N 3.1Å; K604-S607 WeakPolarHBondContact CA-OG 3.32Å; K604-S607 WeakPolarHBondContact O-CB 3.42Å; K604-S607 PolarHBondContact O-N 3.42Å; K604-S607 PolarHBondContact O-OG 3.01Å |
| 605 | F | 84.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -51.9 | 174.3 | 179.5 | -99.8 | 0 | 0 | 0 | 111.7 | F574 K591 C593 L601 K602 I603 S607 E608 I633 I635 | F574-F605 HydrophobicContact CB-CB 4.4Å; F574-F605 HydrophobicContact CB-CD2 3.62Å; F574-F605 HydrophobicContact CB-CE2 4.33Å; F574-F605 HydrophobicContact CB-CG 4.39Å; F574-F605 HydrophobicContact CD1-CB 3.99Å; F574-F605 HydrophobicContact CD2-CD2 4.04Å; F574-F605 HydrophobicContact CE1-CB 4.41Å; F574-F605 HydrophobicContact CG-CB 4.05Å; F574-F605 AromaticContact CG-CD2 3.85Å; F574-F605 HydrophobicContact CG-CD2 3.85Å; F574-F605 HydrophobicContact CG-CG 4.43Å; K591-F605 HydrophobicContact CB-CE2 4.07Å; K591-F605 HydrophobicContact CB-CZ 4.37Å; K591-F605 HydrophobicContact CD-CD2 4.45Å; K591-F605 HydrophobicContact CD-CE2 3.89Å; K591-F605 HydrophobicContact CG-CE2 3.83Å; K591-F605 WeakPolarHBondContact O-CZ 3.45Å; C593-F605 HydrophobicContact CB-CD1 3.57Å; C593-F605 HydrophobicContact CB-CD2 4.05Å; C593-F605 HydrophobicContact CB-CE1 3.58Å; C593-F605 HydrophobicContact CB-CE2 4.03Å; C593-F605 HydrophobicContact CB-CG 3.81Å; C593-F605 HydrophobicContact CB-CZ 3.81Å; L601-F605 PolarHBondContact O-N 2.9Å; K602-F605 WeakPolarHBondContact O-CB 3.42Å; K602-F605 PolarHBondContact O-N 2.83Å; I603-F605 VanDerWaalsContact C-N 3.25Å; I603-F605 PolarHBondContact O-N 3.26Å; F605-S607 VanDerWaalsContact C-N 3.27Å; F605-S607 PolarHBondContact O-N 3.39Å; F605-E608 WeakPolarHBondContact O-CB 3.31Å; F605-E608 PolarHBondContact O-N 3.37Å; F605-I633 HydrophobicContact CD1-CG2 4.44Å; F605-I633 HydrophobicContact CE1-CB 4.3Å; F605-I633 HydrophobicContact CE1-CG2 3.88Å; F605-I635 HydrophobicContact CD1-CD1 3.9Å; F605-I635 HydrophobicContact CD1-CG1 4.34Å; F605-I635 HydrophobicContact CD2-CD1 4.19Å; F605-I635 HydrophobicContact CE1-CD1 3.63Å; F605-I635 HydrophobicContact CE1-CG1 3.61Å; F605-I635 HydrophobicContact CE2-CD1 3.97Å; F605-I635 HydrophobicContact CE2-CG1 4.37Å; F605-I635 HydrophobicContact CG-CD1 4.18Å; F605-I635 HydrophobicContact CZ-CB 4.12Å; F605-I635 HydrophobicContact CZ-CD1 3.68Å; F605-I635 HydrophobicContact CZ-CG1 3.64Å; F605-I635 WeakPolarHBondContact O-CD1 3.44Å |
| 606 | L | 85.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.6 | -22.8 | 178.3 | -73.9 | 175.1 | 0 | 0 | 0 | 113.8 | P466 E469 K602 I603 E608 A609 R610 V626 T628 I633 | P466-L606 HydrophobicContact CG-CD1 3.8Å; E469-L606 HydrophobicContact CG-CB 4.35Å; E469-L606 HydrophobicContact CG-CD1 3.78Å; K602-L606 PolarHBondContact O-N 2.59Å; K602-L606 VanDerWaalsContact O-N 3.14Å; I603-L606 PolarHBondContact O-N 2.99Å; L606-E608 PolarHBondContact O-N 3.42Å; L606-A609 PolarHBondContact O-N 2.69Å; L606-R610 PolarHBondContact O-N 2.98Å; L606-V626 HydrophobicContact CD2-CG1 3.84Å; L606-T628 HydrophobicContact CD2-CG2 4.22Å; L606-I633 HydrophobicContact CD1-CD1 4.38Å; L606-I633 HydrophobicContact CD2-CG2 3.96Å |
| 607 | S | 82.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -31.8 | 173.9 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | I603 K604 F605 R610 I611 | I603-S607 PolarHBondContact O-N 3.4Å; K604-S607 WeakPolarHBondContact CA-OG 3.32Å; K604-S607 WeakPolarHBondContact O-CB 3.42Å; K604-S607 PolarHBondContact O-N 3.42Å; K604-S607 PolarHBondContact O-OG 3.01Å; F605-S607 VanDerWaalsContact C-N 3.27Å; F605-S607 PolarHBondContact O-N 3.39Å; S607-R610 PolarHBondContact O-N 3.38Å; S607-I611 WeakPolarHBondContact O-CG1 3.4Å; S607-I611 PolarHBondContact O-N 3.5Å |
| 608 | E | 87.9 | Confident | 85 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 174.2 | 175.5 | 168.3 | -159.3 | 0 | 0 | 111.4 | K591 F605 L606 R610 I611 L612 I635 F703 | K591-E608 WeakPolarHBondContact CD-OE2 3.36Å; K591-E608 WeakPolarHBondContact CE-OE2 3.47Å; K591-E608 IonicContact NZ-OE1 3.79Å; K591-E608 PolarHBondContact NZ-OE1 3.45Å; K591-E608 IonicContact NZ-OE2 2.86Å; K591-E608 PolarHBondContact NZ-OE2 2.96Å; F605-E608 WeakPolarHBondContact O-CB 3.31Å; F605-E608 PolarHBondContact O-N 3.37Å; L606-E608 PolarHBondContact O-N 3.42Å; E608-R610 VanDerWaalsContact C-N 3.34Å; E608-R610 PolarHBondContact O-N 3.17Å; E608-I611 PolarHBondContact O-N 3.48Å; E608-L612 HydrophobicContact CG-CD1 4.11Å; E608-L612 WeakPolarHBondContact O-CG 3.4Å; E608-L612 PolarHBondContact O-N 3.38Å; E608-I635 HydrophobicContact CB-CD1 4.24Å; E608-I635 HydrophobicContact CG-CD1 4.5Å; E608-F703 HydrophobicContact CB-CB 4.49Å; E608-F703 HydrophobicContact CG-CB 4.03Å; E608-F703 PolarHBondContact OE1-N 3.24Å |
| 609 | A | 89.1 | Confident | 86.1 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L606 I611 L612 K613 L623 V626 I635 | L606-A609 PolarHBondContact O-N 2.69Å; A609-I611 VanDerWaalsContact C-N 3.29Å; A609-I611 PolarHBondContact O-N 2.95Å; A609-L612 PolarHBondContact O-N 3.11Å; A609-K613 VanDerWaalsContact O-CG 3.27Å; A609-K613 WeakPolarHBondContact O-CG 3.48Å; A609-K613 PolarHBondContact O-N 2.96Å; A609-L623 HydrophobicContact CB-CD1 4.46Å; A609-L623 HydrophobicContact CB-CD2 4.4Å; A609-V626 HydrophobicContact CB-CG2 3.58Å; A609-I635 HydrophobicContact CB-CD1 3.96Å; A609-I635 HydrophobicContact CB-CG1 4.1Å |
| 610 | R | 86.8 | Confident | 87.2 | Confident | 109 Ų | 109 | 41.4 Ų | 41.4 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 178.3 | -176.5 | 174.2 | 66.1 | -179.4 | 5.3 | 112.5 | L606 S607 E608 Q614 | L606-R610 PolarHBondContact O-N 2.98Å; S607-R610 PolarHBondContact O-N 3.38Å; E608-R610 VanDerWaalsContact C-N 3.34Å; E608-R610 PolarHBondContact O-N 3.17Å; R610-Q614 PolarHBondContact O-NE2 3.25Å |
| 611 | I | 88.3 | Confident | 88.3 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -52.3 | 176.5 | -73.5 | 179.7 | 0 | 0 | 0 | 109.9 | S607 E608 A609 K613 Q614 Y615 F703 S706 | S607-I611 WeakPolarHBondContact O-CG1 3.4Å; S607-I611 PolarHBondContact O-N 3.5Å; E608-I611 PolarHBondContact O-N 3.48Å; A609-I611 VanDerWaalsContact C-N 3.29Å; A609-I611 PolarHBondContact O-N 2.95Å; I611-K613 VanDerWaalsContact C-N 3.3Å; I611-K613 PolarHBondContact O-N 3.02Å; I611-Q614 PolarHBondContact O-N 2.89Å; I611-Q614 VanDerWaalsContact O-N 3.14Å; I611-Y615 HydrophobicContact CB-CE2 4.46Å; I611-Y615 HydrophobicContact CG2-CD2 3.97Å; I611-Y615 HydrophobicContact CG2-CE2 3.18Å; I611-F703 HydrophobicContact CG2-CB 4.28Å; I611-F703 HydrophobicContact CG2-CD1 3.78Å; I611-F703 HydrophobicContact CG2-CG 4.3Å; I611-S706 VanDerWaalsContact CD1-C 3.46Å; I611-S706 VanDerWaalsContact CD1-O 3.24Å; I611-S706 WeakPolarHBondContact CD1-O 3.18Å |
| 612 | L | 91.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -26.1 | -176 | -70.5 | 174.6 | 0 | 0 | 0 | 114.4 | E608 A609 Q614 Y615 I620 V621 L623 M637 F703 | E608-L612 HydrophobicContact CG-CD1 4.11Å; E608-L612 WeakPolarHBondContact O-CG 3.4Å; E608-L612 PolarHBondContact O-N 3.38Å; A609-L612 PolarHBondContact O-N 3.11Å; L612-Q614 PolarHBondContact O-N 3.38Å; L612-Q614 VanDerWaalsContact O-N 3.11Å; L612-Y615 PolarHBondContact O-N 2.87Å; L612-Y615 VanDerWaalsContact O-N 3.13Å; L612-I620 HydrophobicContact CD2-CG2 4Å; L612-V621 HydrophobicContact CD1-CG1 4.14Å; L612-V621 HydrophobicContact CD2-CG1 4.18Å; L612-V621 WeakPolarHBondContact CD2-O 3.39Å; L612-L623 HydrophobicContact CB-CB 3.78Å; L612-L623 HydrophobicContact CB-CD2 4.36Å; L612-M637 HydrophobicContact CD1-SD 4.07Å; L612-F703 HydrophobicContact CD1-CD2 4.27Å; L612-F703 HydrophobicContact CD2-CD2 3.56Å; L612-F703 HydrophobicContact CD2-CE2 3.62Å; L612-F703 HydrophobicContact CD2-CG 4.1Å; L612-F703 HydrophobicContact CD2-CZ 4.17Å; L612-F703 HydrophobicContact CG-CD2 4.04Å; L612-F703 HydrophobicContact CG-CG 4.34Å |
| 613 | K | 90.9 | Very high | 90 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 32% | 0.317 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27.5 | 173.4 | -82.2 | -179.2 | -177.4 | -171.8 | 0 | 113.4 | W556 A609 I611 L623 | W556-K613 HydrophobicContact CB-CD 4.41Å; W556-K613 HydrophobicContact CD2-CD 4.36Å; W556-K613 HydrophobicContact CD2-CG 3.79Å; W556-K613 HydrophobicContact CE3-CG 4.33Å; W556-K613 HydrophobicContact CG-CD 3.94Å; W556-K613 HydrophobicContact CG-CG 3.9Å; W556-K613 HydrophobicContact CZ2-CB 4.22Å; W556-K613 HydrophobicContact CZ2-CG 4.3Å; W556-K613 VanDerWaalsContact CZ2-O 3.27Å; W556-K613 WeakPolarHBondContact CZ2-O 3.45Å; A609-K613 VanDerWaalsContact O-CG 3.27Å; A609-K613 WeakPolarHBondContact O-CG 3.48Å; A609-K613 PolarHBondContact O-N 2.96Å; I611-K613 VanDerWaalsContact C-N 3.3Å; I611-K613 PolarHBondContact O-N 3.02Å; K613-L623 HydrophobicContact CB-CD2 4.34Å; K613-L623 HydrophobicContact CG-CD2 3.48Å; K613-L623 VanDerWaalsContact CG-CD2 3.48Å |
| 614 | Q | 89.6 | Confident | 90.9 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -9.3 | -174.6 | -57 | -179.2 | 64.9 | 0 | 0 | 112.8 | R610 I611 L612 | R610-Q614 PolarHBondContact O-NE2 3.25Å; I611-Q614 PolarHBondContact O-N 2.89Å; I611-Q614 VanDerWaalsContact O-N 3.14Å; L612-Q614 PolarHBondContact O-N 3.38Å; L612-Q614 VanDerWaalsContact O-N 3.11Å |
| 615 | Y | 93.1 | Very high | 91.7 | Very high | 15 Ų | 15 | 35 Ų | 35 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | trans | -113.2 | 136.1 | -166.5 | -59.4 | -17.7 | 0 | 0 | 0 | 112.1 | I611 L612 Y674 L675 K678 C680 F703 | I611-Y615 HydrophobicContact CB-CE2 4.46Å; I611-Y615 HydrophobicContact CG2-CD2 3.97Å; I611-Y615 HydrophobicContact CG2-CE2 3.18Å; L612-Y615 PolarHBondContact O-N 2.87Å; L612-Y615 VanDerWaalsContact O-N 3.13Å; Y615-Y674 HydrophobicContact CD1-CE1 4.04Å; Y615-Y674 HydrophobicContact CG-CE1 4.02Å; Y615-L675 HydrophobicContact CD2-CD2 3.7Å; Y615-L675 HydrophobicContact CE2-CD2 3.51Å; Y615-K678 HydrophobicContact CD1-CG 4.19Å; Y615-K678 HydrophobicContact CE1-CB 3.82Å; Y615-K678 HydrophobicContact CE1-CG 3.93Å; Y615-C680 HydrophobicContact CE2-CB 4.28Å; Y615-C680 WeakPolarHBondContact OH-CB 3.26Å; Y615-C680 PolarHBondContact OH-SG 2.94Å; Y615-C680 VanDerWaalsContact OH-SG 3.4Å; Y615-F703 HydrophobicContact CE2-CE1 4.42Å | ||
| 616 | D | 94 | Very high | 92.1 | Very high | 117 Ų | 117 | 35.3 Ų | 35.3 | 63% | 0.626 | 17% | 0.172 | S | C | * | . | trans | -145.3 | 100.7 | 173.1 | -167.5 | 23.1 | 0 | 0 | 0 | 107.8 | K622 Y674 | D616-K622 IonicContact OD1-NZ 3.78Å; D616-Y674 PolarHBondContact N-OH 3.39Å | ||
| 617 | H | 96.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 17% | 0.167 | 17% | 0.169 | C | C | . | . | trans | -153.3 | 139.5 | -176.8 | -176.8 | -89.5 | 0 | 0 | 0 | 109.9 | N619 I620 Y674 | H617-N619 PolarHBondContact CE1-OD1 3.11Å; H617-N619 VanDerWaalsContact CE1-OD1 3.27Å; H617-N619 PolarHBondContact ND1-N 3.32Å; H617-N619 VanDerWaalsContact ND1-N 3.11Å; H617-N619 PolarHBondContact O-N 3.38Å; H617-N619 VanDerWaalsContact O-N 3.08Å; H617-I620 HydrophobicContact CB-CB 4.28Å; H617-I620 HydrophobicContact CB-CG1 3.87Å; H617-I620 PolarHBondContact O-N 3.01Å; H617-Y674 HydrophobicContact CB-CD1 3.77Å; H617-Y674 HydrophobicContact CB-CD2 4.08Å; H617-Y674 HydrophobicContact CB-CE1 3.92Å; H617-Y674 HydrophobicContact CB-CE2 4.19Å; H617-Y674 HydrophobicContact CB-CG 3.85Å; H617-Y674 AromaticContact CD2-CD2 3.65Å; H617-Y674 AromaticContact CD2-CG 3.71Å; H617-Y674 AromaticContact CG-CG 3.77Å | ||
| 618 | P | 95.9 | Very high | 92.8 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 55% | 0.545 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.2 | -174.8 | 22.8 | -36.1 | 0 | 0 | 0 | 114.9 | K699 | P618-K699 WeakPolarHBondContact O-CE 3.24Š|
| 619 | N | 97.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 15.7 | 178.7 | -53.5 | 106.8 | 0 | 0 | 0 | 113.9 | H617 D667 L698 K699 I700 | H617-N619 PolarHBondContact CE1-OD1 3.11Å; H617-N619 VanDerWaalsContact CE1-OD1 3.27Å; H617-N619 PolarHBondContact ND1-N 3.32Å; H617-N619 VanDerWaalsContact ND1-N 3.11Å; H617-N619 PolarHBondContact O-N 3.38Å; H617-N619 VanDerWaalsContact O-N 3.08Å; N619-D667 VanDerWaalsContact CB-O 3.22Å; N619-D667 WeakPolarHBondContact CB-O 3.34Å; N619-D667 VanDerWaalsContact CG-O 3.25Å; N619-D667 VanDerWaalsContact ND2-CB 3.29Å; N619-D667 WeakPolarHBondContact ND2-CB 3.41Å; N619-L698 PolarHBondContact ND2-O 3.11Å; N619-K699 CarbonylContact O-C 3.5Å; N619-K699 WeakPolarHBondContact O-CA 3.37Å; N619-I700 PolarHBondContact O-N 3.5Å |
| 620 | I | 97.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -119.8 | 138.5 | 172.4 | -56 | -62 | 0 | 0 | 0 | 107.7 | L612 H617 K622 Y674 L675 I700 F703 | L612-I620 HydrophobicContact CD2-CG2 4Å; H617-I620 HydrophobicContact CB-CB 4.28Å; H617-I620 HydrophobicContact CB-CG1 3.87Å; H617-I620 PolarHBondContact O-N 3.01Å; I620-K622 PolarHBondContact O-N 3.22Å; I620-Y674 HydrophobicContact CG1-CD1 4.19Å; I620-L675 HydrophobicContact CD1-CD1 4.01Å; I620-L675 HydrophobicContact CD1-CD2 4.02Å; I620-L675 HydrophobicContact CD1-CG 3.87Å; I620-I700 HydrophobicContact CD1-CB 4.01Å; I620-I700 HydrophobicContact CD1-CD1 4.1Å; I620-I700 HydrophobicContact CD1-CG1 4.4Å; I620-F703 HydrophobicContact CD1-CZ 4.22Å; I620-F703 HydrophobicContact CG2-CE2 4.03Å; I620-F703 HydrophobicContact CG2-CZ 3.71Å |
| 621 | V | 95.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 131.7 | 175.9 | 71 | 0 | 0 | 0 | 0 | 110.4 | L612 M637 E638 V640 I700 F703 | L612-V621 HydrophobicContact CD1-CG1 4.14Å; L612-V621 HydrophobicContact CD2-CG1 4.18Å; L612-V621 WeakPolarHBondContact CD2-O 3.39Å; V621-M637 HydrophobicContact CG1-SD 4.22Å; V621-M637 HydrophobicContact CG2-CB 4.17Å; V621-M637 HydrophobicContact CG2-SD 4.44Å; V621-E638 HydrophobicContact CG2-CG 3.82Å; V621-V640 HydrophobicContact CG2-CG2 4.44Å; V621-I700 PolarHBondContact N-O 2.87Å; V621-F703 HydrophobicContact CG1-CE2 4.22Å |
| 622 | K | 94.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -83.9 | 126.3 | -178.4 | -171.1 | 164.4 | -175.8 | 158.4 | 0 | 111.4 | D616 I620 M637 E638 | D616-K622 IonicContact OD1-NZ 3.78Å; I620-K622 PolarHBondContact O-N 3.22Å; K622-M637 CarbonylContact O-C 3.59Å; K622-M637 WeakPolarHBondContact O-CA 3.45Å; K622-E638 HydrophobicContact CB-CB 4.35Å; K622-E638 HydrophobicContact CB-CG 4.03Å; K622-E638 VanDerWaalsContact CB-OE1 3.23Å; K622-E638 WeakPolarHBondContact CB-OE1 3.4Å; K622-E638 PolarHBondContact N-OE1 3.42Å; K622-E638 PolarHBondContact O-N 3.33Å |
| 623 | L | 95.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.6 | 165 | -178.1 | 71.3 | 0 | 0 | 0 | 109.4 | W556 A609 L612 K613 V626 I635 M637 | W556-L623 HydrophobicContact CD2-CD2 4.45Å; W556-L623 HydrophobicContact CE3-CD2 3.85Å; W556-L623 HydrophobicContact CE3-CG 4.16Å; W556-L623 HydrophobicContact CZ3-CB 4.24Å; W556-L623 HydrophobicContact CZ3-CD2 4.05Å; W556-L623 HydrophobicContact CZ3-CG 4.15Å; A609-L623 HydrophobicContact CB-CD1 4.46Å; A609-L623 HydrophobicContact CB-CD2 4.4Å; L612-L623 HydrophobicContact CB-CB 3.78Å; L612-L623 HydrophobicContact CB-CD2 4.36Å; K613-L623 HydrophobicContact CB-CD2 4.34Å; K613-L623 HydrophobicContact CG-CD2 3.48Å; K613-L623 VanDerWaalsContact CG-CD2 3.48Å; L623-V626 HydrophobicContact CD1-CG2 4.45Å; L623-I635 HydrophobicContact CD1-CG2 3.71Å; L623-M637 HydrophobicContact CD1-CG 4.41Å |
| 624 | I | 94.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 26% | 0.256 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -43 | 171.9 | -61.9 | 172.1 | 0 | 0 | 0 | 109.9 | L558 L582 V588 V636 E638 | L558-I624 HydrophobicContact CD1-CG2 4.49Å; L582-I624 HydrophobicContact CD1-CG2 3.9Å; V588-I624 HydrophobicContact CB-CD1 4.39Å; V588-I624 HydrophobicContact CG1-CD1 3.45Å; V588-I624 VanDerWaalsContact CG1-CD1 3.45Å; I624-V636 WeakPolarHBondContact CA-O 3.35Å; I624-V636 HydrophobicContact CB-CG1 4.29Å; I624-V636 PolarHBondContact N-O 3.05Å; I624-E638 HydrophobicContact CD1-CB 4.49Å |
| 625 | G | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -177 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | W556 V636 | W556-G625 CarbonylContact O-C 3.49Å; W556-G625 WeakPolarHBondContact O-CA 3.37Å; G625-V636 PolarHBondContact N-O 3.08Å; G625-V636 WeakPolarHBondContact O-CA 3.38Å; G625-V636 WeakPolarHBondContact O-CB 3.16Å; G625-V636 PolarHBondContact O-N 3.23Å |
| 626 | V | 93.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.8 | -177.4 | -164.5 | 0 | 0 | 0 | 0 | 108.4 | W556 L558 L606 A609 L623 T628 I633 Y634 I635 | W556-V626 PolarHBondContact O-N 3.24Å; L558-V626 PolarHBondContact N-O 3.2Å; L606-V626 HydrophobicContact CD2-CG1 3.84Å; A609-V626 HydrophobicContact CB-CG2 3.58Å; L623-V626 HydrophobicContact CD1-CG2 4.45Å; V626-T628 HydrophobicContact CB-CG2 4.39Å; V626-T628 HydrophobicContact CG1-CG2 3.6Å; V626-I633 HydrophobicContact CG1-CG2 4.44Å; V626-Y634 CarbonylContact C-O 3.6Å; V626-Y634 VanDerWaalsContact CA-O 3.3Å; V626-Y634 WeakPolarHBondContact CA-O 3.45Å; V626-Y634 VanDerWaalsContact CG1-O 3.22Å; V626-Y634 WeakPolarHBondContact CG1-O 3.39Å; V626-I635 HydrophobicContact CG1-CG1 4.31Å |
| 627 | C | 92.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 96 | 174.2 | -49.2 | 0 | 0 | 0 | 0 | 108.6 | L558 H560 I633 Y634 | L558-C627 WeakPolarHBondContact O-CA 3.4Å; H560-C627 WeakPolarHBondContact CE1-CB 3.37Å; H560-C627 PolarHBondContact CE1-O 3.3Å; C627-I633 WeakPolarHBondContact O-CA 3.34Å; C627-I633 WeakPolarHBondContact O-CG2 3.43Å; C627-Y634 HydrophobicContact CB-CD2 4.03Å; C627-Y634 HydrophobicContact CB-CG 4.25Å; C627-Y634 PolarHBondContact N-O 2.91Å; C627-Y634 PolarHBondContact O-N 3.04Å; C627-Y634 VanDerWaalsContact O-N 3.08Å |
| 628 | T | 89.4 | Confident | 92.8 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | trans | -106.2 | -2.6 | 178.3 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | G463 A464 I465 L606 V626 R630 I633 | G463-T628 CarbonylContact C-O 3.56Å; A464-T628 PolarHBondContact N-O 3.1Å; I465-T628 HydrophobicContact CG2-CG2 4.02Å; L606-T628 HydrophobicContact CD2-CG2 4.22Å; V626-T628 HydrophobicContact CB-CG2 4.39Å; V626-T628 HydrophobicContact CG1-CG2 3.6Å; T628-R630 VanDerWaalsContact C-N 3.27Å; T628-R630 PolarHBondContact O-N 3.01Å; T628-I633 HydrophobicContact CG2-CG2 4.13Å | ||
| 629 | Q | 84.7 | Confident | 92.7 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 9% | 0.089 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -65.3 | -30.5 | -171.4 | -63.7 | -55.4 | -30.9 | 0 | 0 | 113.3 | G463 V557 | G463-Q629 WeakPolarHBondContact CA-O 3.44Å; V557-Q629 HydrophobicContact CG1-CG 4.39Å |
| 630 | R | 85.6 | Confident | 92.6 | Very high | 122 Ų | 122 | 26.3 Ų | 26.3 | 46% | 0.46 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -146.8 | 170.3 | 173.6 | 57.9 | 176.6 | 172.6 | 173.5 | -4 | 111.1 | H560 E561 T628 | H560-R630 HydrophobicContact CB-CG 4.43Å; H560-R630 PolarHBondContact CE1-O 3.31Å; H560-R630 WeakPolarHBondContact ND1-CG 3.37Å; H560-R630 PolarHBondContact NE2-O 3.22Å; E561-R630 IonicContact OE1-CZ 2.82Å; E561-R630 IonicContact OE1-NE 2.84Å; E561-R630 IonicContact OE1-NH1 2.93Å; E561-R630 IonicContact OE1-NH2 2.67Å; E561-R630 PolarHBondContact OE1-NH2 3.47Å; T628-R630 VanDerWaalsContact C-N 3.27Å; T628-R630 PolarHBondContact O-N 3.01Å |
| 631 | Q | 84.6 | Confident | 92.3 | Very high | 48 Ų | 48 | 30 Ų | 30 | 22% | 0.224 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -80.8 | 152.8 | 167.9 | -66.1 | -70 | -13.3 | 0 | 0 | 111.2 | A464 E595 | A464-Q631 HydrophobicContact CB-CG 4.04Å; E595-Q631 HydrophobicContact CG-CB 4.03Å; E595-Q631 HydrophobicContact CG-CG 4.37Å; E595-Q631 VanDerWaalsContact OE1-CB 3.32Å; E595-Q631 WeakPolarHBondContact OE1-CB 3.37Å |
| 632 | P | 88.3 | Confident | 92 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | S | Bend | cis | -71.2 | 145 | -11.5 | 28.3 | -34.2 | 0 | 0 | 0 | 112 | H560 Y634 | H560-P632 PolarHBondContact NE2-O 3.04Å; P632-Y634 HydrophobicContact CB-CE1 4.21Å; P632-Y634 HydrophobicContact CG-CE1 3.64Å |
| 633 | I | 89.4 | Confident | 92 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 137 | 178.2 | -58.3 | 175.9 | 0 | 0 | 0 | 110.5 | C593 F605 L606 V626 C627 T628 | C593-I633 HydrophobicContact CB-CB 4.49Å; C593-I633 PolarHBondContact N-O 3.13Å; C593-I633 VanDerWaalsContact N-O 3.13Å; F605-I633 HydrophobicContact CD1-CG2 4.44Å; F605-I633 HydrophobicContact CE1-CB 4.3Å; F605-I633 HydrophobicContact CE1-CG2 3.88Å; L606-I633 HydrophobicContact CD1-CD1 4.38Å; L606-I633 HydrophobicContact CD2-CG2 3.96Å; V626-I633 HydrophobicContact CG1-CG2 4.44Å; C627-I633 WeakPolarHBondContact O-CA 3.34Å; C627-I633 WeakPolarHBondContact O-CG2 3.43Å; T628-I633 HydrophobicContact CG2-CG2 4.13Å |
| 634 | Y | 93.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140 | 176.1 | -57.6 | -26.5 | 0 | 0 | 0 | 113.3 | H560 L565 V590 K591 T592 V626 C627 P632 | H560-Y634 AromaticContact CD2-CD2 3.72Å; H560-Y634 AromaticContact CD2-CE2 3.4Å; H560-Y634 VanDerWaalsContact CD2-CE2 3.4Å; H560-Y634 WeakPolarHBondContact CD2-CE2 3.44Å; H560-Y634 AromaticContact CD2-CZ 3.92Å; L565-Y634 HydrophobicContact CD1-CE1 4.44Å; L565-Y634 WeakPolarHBondContact CD1-OH 3.48Å; L565-Y634 HydrophobicContact CD2-CE2 4.41Å; V590-Y634 HydrophobicContact CG1-CD1 4.04Å; V590-Y634 HydrophobicContact CG1-CD2 3.99Å; V590-Y634 HydrophobicContact CG1-CG 3.66Å; K591-Y634 WeakPolarHBondContact O-CA 3.38Å; T592-Y634 HydrophobicContact CG2-CD1 3.67Å; T592-Y634 HydrophobicContact CG2-CE1 3.55Å; V626-Y634 CarbonylContact C-O 3.6Å; V626-Y634 VanDerWaalsContact CA-O 3.3Å; V626-Y634 WeakPolarHBondContact CA-O 3.45Å; V626-Y634 VanDerWaalsContact CG1-O 3.22Å; V626-Y634 WeakPolarHBondContact CG1-O 3.39Å; C627-Y634 HydrophobicContact CB-CD2 4.03Å; C627-Y634 HydrophobicContact CB-CG 4.25Å; C627-Y634 PolarHBondContact N-O 2.91Å; C627-Y634 PolarHBondContact O-N 3.04Å; C627-Y634 VanDerWaalsContact O-N 3.08Å; P632-Y634 HydrophobicContact CB-CE1 4.21Å; P632-Y634 HydrophobicContact CG-CE1 3.64Å |
| 635 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.3 | 160.4 | -65.7 | 172.8 | 0 | 0 | 0 | 107.3 | K591 F605 E608 A609 L623 V626 M637 | K591-I635 HydrophobicContact CB-CB 4.26Å; K591-I635 PolarHBondContact N-O 2.98Å; K591-I635 PolarHBondContact O-N 3.15Å; F605-I635 HydrophobicContact CD1-CD1 3.9Å; F605-I635 HydrophobicContact CD1-CG1 4.34Å; F605-I635 HydrophobicContact CD2-CD1 4.19Å; F605-I635 HydrophobicContact CE1-CD1 3.63Å; F605-I635 HydrophobicContact CE1-CG1 3.61Å; F605-I635 HydrophobicContact CE2-CD1 3.97Å; F605-I635 HydrophobicContact CE2-CG1 4.37Å; F605-I635 HydrophobicContact CG-CD1 4.18Å; F605-I635 HydrophobicContact CZ-CB 4.12Å; F605-I635 HydrophobicContact CZ-CD1 3.68Å; F605-I635 HydrophobicContact CZ-CG1 3.64Å; F605-I635 WeakPolarHBondContact O-CD1 3.44Å; E608-I635 HydrophobicContact CB-CD1 4.24Å; E608-I635 HydrophobicContact CG-CD1 4.5Å; A609-I635 HydrophobicContact CB-CD1 3.96Å; A609-I635 HydrophobicContact CB-CG1 4.1Å; L623-I635 HydrophobicContact CD1-CG2 3.71Å; V626-I635 HydrophobicContact CG1-CG1 4.31Å; I635-M637 HydrophobicContact CG2-CE 4.4Å; I635-M637 HydrophobicContact CG2-CG 4.05Å; I635-M637 HydrophobicContact CG2-SD 4.29Å |
| 636 | V | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.4 | -176.3 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | L558 V563 L582 V588 A589 V590 I624 G625 | L558-V636 HydrophobicContact CD1-CB 4.04Å; L558-V636 HydrophobicContact CD1-CG1 4.34Å; L558-V636 HydrophobicContact CD1-CG2 3.98Å; V563-V636 HydrophobicContact CG2-CG2 4.1Å; L582-V636 HydrophobicContact CD2-CG1 4.38Å; V588-V636 HydrophobicContact CB-CG1 3.68Å; V588-V636 HydrophobicContact CG1-CG1 3.89Å; V588-V636 HydrophobicContact CG2-CG1 3.77Å; A589-V636 WeakPolarHBondContact O-CA 3.48Å; V590-V636 HydrophobicContact CG1-CG2 4.48Å; I624-V636 WeakPolarHBondContact CA-O 3.35Å; I624-V636 HydrophobicContact CB-CG1 4.29Å; I624-V636 PolarHBondContact N-O 3.05Å; G625-V636 PolarHBondContact N-O 3.08Å; G625-V636 WeakPolarHBondContact O-CA 3.38Å; G625-V636 WeakPolarHBondContact O-CB 3.16Å; G625-V636 PolarHBondContact O-N 3.23Å |
| 637 | M | 95.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 165.4 | -178.1 | -65 | 171 | -71 | 0 | 0 | 110.5 | V588 A589 K591 L612 V621 K622 L623 I635 L639 | V588-M637 WeakPolarHBondContact CA-O 3.35Å; V588-M637 WeakPolarHBondContact CB-O 3.49Å; A589-M637 PolarHBondContact N-O 3.09Å; A589-M637 PolarHBondContact O-N 3.07Å; K591-M637 HydrophobicContact CB-CE 4.11Å; L612-M637 HydrophobicContact CD1-SD 4.07Å; V621-M637 HydrophobicContact CG1-SD 4.22Å; V621-M637 HydrophobicContact CG2-CB 4.17Å; V621-M637 HydrophobicContact CG2-SD 4.44Å; K622-M637 CarbonylContact O-C 3.59Å; K622-M637 WeakPolarHBondContact O-CA 3.45Å; L623-M637 HydrophobicContact CD1-CG 4.41Å; I635-M637 HydrophobicContact CG2-CE 4.4Å; I635-M637 HydrophobicContact CG2-CG 4.05Å; I635-M637 HydrophobicContact CG2-SD 4.29Å; M637-L639 PolarHBondContact O-N 2.98Å |
| 638 | E | 95.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 138.9 | 169.3 | 67.5 | 175.7 | 132.8 | 0 | 0 | 111.2 | V621 K622 I624 V640 K699 | V621-E638 HydrophobicContact CG2-CG 3.82Å; K622-E638 HydrophobicContact CB-CB 4.35Å; K622-E638 HydrophobicContact CB-CG 4.03Å; K622-E638 VanDerWaalsContact CB-OE1 3.23Å; K622-E638 WeakPolarHBondContact CB-OE1 3.4Å; K622-E638 PolarHBondContact N-OE1 3.42Å; K622-E638 PolarHBondContact O-N 3.33Å; I624-E638 HydrophobicContact CD1-CB 4.49Å; E638-V640 HydrophobicContact CG-CG2 4.11Å; E638-V640 PolarHBondContact O-N 3.44Å; E638-K699 IonicContact OE1-NZ 3.79Å; E638-K699 PolarHBondContact OE1-NZ 3.03Å; E638-K699 IonicContact OE2-NZ 3.58Å; E638-K699 PolarHBondContact OE2-NZ 2.94Å |
| 639 | L | 95.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | trans | -79.6 | 116.3 | 172.1 | -177.1 | 65.2 | 0 | 0 | 0 | 109.4 | L569 K579 P587 A589 M637 P641 | L569-L639 HydrophobicContact CD1-CD1 3.64Å; K579-L639 HydrophobicContact CD-CD2 4.26Å; K579-L639 HydrophobicContact CG-CD2 3.95Å; P587-L639 HydrophobicContact CB-CB 4.41Å; P587-L639 HydrophobicContact CB-CD2 3.93Å; A589-L639 HydrophobicContact CB-CD1 4.21Å; M637-L639 PolarHBondContact O-N 2.98Å; L639-P641 WeakPolarHBondContact O-CD 3.23Å | ||
| 640 | V | 95.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | trans | -95.7 | 106.4 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 109 | V621 E638 G642 G643 L691 V692 G693 K699 | V621-V640 HydrophobicContact CG2-CG2 4.44Å; E638-V640 HydrophobicContact CG-CG2 4.11Å; E638-V640 PolarHBondContact O-N 3.44Å; V640-G642 PolarHBondContact O-N 2.96Å; V640-G643 PolarHBondContact O-N 3.18Å; V640-L691 HydrophobicContact CB-CB 3.8Å; V640-L691 HydrophobicContact CB-CD1 3.92Å; V640-L691 HydrophobicContact CB-CG 4.47Å; V640-L691 HydrophobicContact CG1-CB 3.61Å; V640-L691 HydrophobicContact CG2-CB 4.17Å; V640-L691 HydrophobicContact CG2-CD1 3.85Å; V640-V692 WeakPolarHBondContact CG1-O 3.48Å; V640-G693 VanDerWaalsContact CG1-CA 3.45Å; V640-G693 VanDerWaalsContact CG1-N 3.32Å; V640-K699 HydrophobicContact CG2-CD 4.26Å | ||
| 641 | P | 90.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 53% | 0.532 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.3 | -159.6 | 25.8 | -35.6 | 0 | 0 | 0 | 115.5 | L639 G643 E694 | L639-P641 WeakPolarHBondContact O-CD 3.23Å; P641-G643 PolarHBondContact O-N 2.61Å; P641-E694 HydrophobicContact CG-CG 3.8Å |
| 642 | G | 89.6 | Confident | 94.2 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -2.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V640 V692 | V640-G642 PolarHBondContact O-N 2.96Å; G642-V692 WeakPolarHBondContact CA-O 3.45Å; G642-V692 PolarHBondContact N-O 3.07Å |
| 643 | G | 92.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | trans | 70.3 | -162.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V640 P641 L691 V692 | V640-G643 PolarHBondContact O-N 3.18Å; P641-G643 PolarHBondContact O-N 2.61Å; G643-L691 VanDerWaalsContact O-CA 3.29Å; G643-L691 WeakPolarHBondContact O-CA 3.48Å; G643-V692 PolarHBondContact O-N 3.38Å | ||
| 644 | D | 94.6 | Very high | 94.5 | Very high | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 143 | -178.5 | 79 | 92.9 | 0 | 0 | 0 | 112.7 | L646 S647 F648 C690 L691 | D644-L646 VanDerWaalsContact C-N 3.32Å; D644-L646 PolarHBondContact O-N 2.91Å; D644-L646 WeakPolarHBondContact OD1-CB 3.43Å; D644-L646 PolarHBondContact OD1-N 3.11Å; D644-S647 VanDerWaalsContact CG-OG 3.25Å; D644-S647 PolarHBondContact O-N 3.41Å; D644-S647 WeakPolarHBondContact OD1-CB 3.12Å; D644-S647 PolarHBondContact OD1-N 2.88Å; D644-S647 PolarHBondContact OD1-OG 3.07Å; D644-S647 VanDerWaalsContact OD1-OG 3.08Å; D644-S647 WeakPolarHBondContact OD2-CB 3.34Å; D644-S647 PolarHBondContact OD2-OG 3.43Å; D644-F648 WeakPolarHBondContact O-CB 3.47Å; D644-F648 PolarHBondContact O-N 3.36Å; D644-C690 CarbonylContact C-O 3.58Å; D644-C690 WeakPolarHBondContact CA-O 3.43Å; D644-L691 HydrophobicContact CB-CD2 4.39Å |
| 645 | F | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.8 | -30.5 | -172.1 | 179.4 | -132.1 | 0 | 0 | 0 | 112.3 | F648 L649 F664 A687 C690 V692 L698 L749 T753 | F645-F648 HydrophobicContact CD2-CD1 4.23Å; F645-F648 HydrophobicContact CE2-CD1 4.44Å; F645-F648 PolarHBondContact O-N 2.94Å; F645-L649 HydrophobicContact CD1-CD1 4.07Å; F645-L649 HydrophobicContact CD2-CD1 4.37Å; F645-L649 HydrophobicContact CD2-CD2 4.47Å; F645-L649 HydrophobicContact CD2-CG 3.98Å; F645-L649 HydrophobicContact CE1-CD1 3.8Å; F645-L649 HydrophobicContact CE1-CG 4.28Å; F645-L649 HydrophobicContact CE2-CD1 4.12Å; F645-L649 HydrophobicContact CE2-CD2 3.69Å; F645-L649 HydrophobicContact CE2-CG 3.67Å; F645-L649 HydrophobicContact CG-CD1 4.36Å; F645-L649 HydrophobicContact CG-CG 4.42Å; F645-L649 HydrophobicContact CZ-CD1 3.84Å; F645-L649 HydrophobicContact CZ-CD2 3.72Å; F645-L649 HydrophobicContact CZ-CG 3.85Å; F645-L649 WeakPolarHBondContact O-CB 3.22Å; F645-L649 VanDerWaalsContact O-CG 3.25Å; F645-L649 WeakPolarHBondContact O-CG 3.38Å; F645-L649 PolarHBondContact O-N 3.25Å; F645-F664 HydrophobicContact CE2-CB 4.04Å; F645-F664 HydrophobicContact CE2-CD1 4.26Å; F645-F664 AromaticContact CE2-CD2 3.53Å; F645-F664 HydrophobicContact CE2-CD2 3.53Å; F645-F664 AromaticContact CE2-CE2 3.91Å; F645-F664 HydrophobicContact CE2-CE2 3.91Å; F645-F664 AromaticContact CE2-CG 3.71Å; F645-F664 HydrophobicContact CE2-CG 3.71Å; F645-F664 HydrophobicContact CE2-CZ 4.41Å; F645-F664 HydrophobicContact CZ-CB 3.67Å; F645-F664 AromaticContact CZ-CD2 3.86Å; F645-F664 HydrophobicContact CZ-CD2 3.86Å; F645-F664 AromaticContact CZ-CG 3.88Å; F645-F664 HydrophobicContact CZ-CG 3.88Å; F645-A687 WeakPolarHBondContact CB-O 3.48Å; F645-A687 HydrophobicContact CD1-CB 4.04Å; F645-A687 PolarHBondContact N-O 3.48Å; F645-C690 HydrophobicContact CB-CB 3.79Å; F645-C690 WeakPolarHBondContact CB-O 3.42Å; F645-C690 HydrophobicContact CD1-CB 4.28Å; F645-C690 HydrophobicContact CG-CB 4.42Å; F645-C690 PolarHBondContact N-O 3.39Å; F645-V692 HydrophobicContact CB-CG2 4.03Å; F645-V692 HydrophobicContact CD2-CG2 3.56Å; F645-V692 HydrophobicContact CE2-CG2 4.45Å; F645-V692 HydrophobicContact CG-CG2 4.21Å; F645-L698 HydrophobicContact CB-CD1 4.46Å; F645-L698 HydrophobicContact CD1-CD1 3.57Å; F645-L698 HydrophobicContact CD2-CD1 4.11Å; F645-L698 HydrophobicContact CE1-CD1 3.64Å; F645-L698 HydrophobicContact CE2-CD1 4.18Å; F645-L698 HydrophobicContact CG-CD1 3.8Å; F645-L698 HydrophobicContact CZ-CD1 3.95Å; F645-L749 HydrophobicContact CD1-CD1 4.24Å; F645-L749 HydrophobicContact CE1-CD1 4.29Å; F645-T753 HydrophobicContact CE1-CG2 4.36Å; F645-T753 WeakPolarHBondContact CE1-OG1 3.45Å; F645-T753 HydrophobicContact CZ-CG2 3.96Å |
| 646 | L | 96.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 175.3 | 178.6 | 63.1 | 0 | 0 | 0 | 111.7 | D644 F648 L649 R650 A687 R688 | D644-L646 VanDerWaalsContact C-N 3.32Å; D644-L646 PolarHBondContact O-N 2.91Å; D644-L646 WeakPolarHBondContact OD1-CB 3.43Å; D644-L646 PolarHBondContact OD1-N 3.11Å; L646-F648 VanDerWaalsContact C-N 3.3Å; L646-F648 PolarHBondContact O-N 3.43Å; L646-L649 PolarHBondContact O-N 2.96Å; L646-R650 WeakPolarHBondContact O-CG 3.34Å; L646-R650 PolarHBondContact O-N 3.2Å; L646-A687 HydrophobicContact CB-CB 3.93Å; L646-A687 HydrophobicContact CD1-CB 4.38Å; L646-A687 PolarHBondContact N-O 3.49Å; L646-R688 HydrophobicContact CB-CB 4.47Å; L646-R688 HydrophobicContact CD2-CB 4.29Å |
| 647 | S | 95 | Very high | 94.3 | Very high | 64 Ų | 64 | 64 Ų | 64 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | D644 R650 K651 | D644-S647 VanDerWaalsContact CG-OG 3.25Å; D644-S647 PolarHBondContact O-N 3.41Å; D644-S647 WeakPolarHBondContact OD1-CB 3.12Å; D644-S647 PolarHBondContact OD1-N 2.88Å; D644-S647 PolarHBondContact OD1-OG 3.07Å; D644-S647 VanDerWaalsContact OD1-OG 3.08Å; D644-S647 WeakPolarHBondContact OD2-CB 3.34Å; D644-S647 PolarHBondContact OD2-OG 3.43Å; S647-R650 PolarHBondContact O-N 3.5Å; S647-K651 VanDerWaalsContact O-CB 3.26Å; S647-K651 WeakPolarHBondContact O-CB 3.36Å; S647-K651 PolarHBondContact O-N 3.05Å |
| 648 | F | 96.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 176.3 | -177.5 | -88.7 | 0 | 0 | 0 | 112.2 | D644 F645 L646 R650 K651 K652 L656 F664 V692 | D644-F648 WeakPolarHBondContact O-CB 3.47Å; D644-F648 PolarHBondContact O-N 3.36Å; F645-F648 HydrophobicContact CD2-CD1 4.23Å; F645-F648 HydrophobicContact CE2-CD1 4.44Å; F645-F648 PolarHBondContact O-N 2.94Å; L646-F648 VanDerWaalsContact C-N 3.3Å; L646-F648 PolarHBondContact O-N 3.43Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 2.97Å; F648-K651 PolarHBondContact O-N 3.31Å; F648-K652 HydrophobicContact CD2-CG 4.47Å; F648-K652 HydrophobicContact CE1-CB 4.47Å; F648-K652 HydrophobicContact CE2-CG 4.18Å; F648-K652 HydrophobicContact CZ-CG 4.2Å; F648-K652 WeakPolarHBondContact O-CB 3.49Å; F648-K652 PolarHBondContact O-N 3.41Å; F648-L656 HydrophobicContact CE1-CD1 4.4Å; F648-L656 HydrophobicContact CE1-CD2 3.99Å; F648-F664 HydrophobicContact CD1-CE2 4.46Å; F648-F664 HydrophobicContact CD1-CZ 4.35Å; F648-F664 AromaticContact CE1-CE2 3.79Å; F648-F664 HydrophobicContact CE1-CE2 3.79Å; F648-F664 AromaticContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CZ-CZ 4.12Å; F648-V692 HydrophobicContact CB-CG2 4.09Å; F648-V692 HydrophobicContact CD1-CG2 4.03Å; F648-V692 HydrophobicContact CD2-CB 4.2Å; F648-V692 HydrophobicContact CD2-CG1 4.21Å; F648-V692 HydrophobicContact CD2-CG2 4.27Å; F648-V692 HydrophobicContact CE1-CG1 4.43Å; F648-V692 HydrophobicContact CE2-CB 4.5Å; F648-V692 HydrophobicContact CE2-CG1 4.01Å; F648-V692 HydrophobicContact CG-CB 4.32Å; F648-V692 HydrophobicContact CG-CG2 3.88Å; F648-V692 HydrophobicContact CZ-CG1 4.13Å |
| 649 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 177.2 | -75.8 | 168.6 | 0 | 0 | 0 | 111.5 | F645 L646 K653 L656 L661 | F645-L649 HydrophobicContact CD1-CD1 4.07Å; F645-L649 HydrophobicContact CD2-CD1 4.37Å; F645-L649 HydrophobicContact CD2-CD2 4.47Å; F645-L649 HydrophobicContact CD2-CG 3.98Å; F645-L649 HydrophobicContact CE1-CD1 3.8Å; F645-L649 HydrophobicContact CE1-CG 4.28Å; F645-L649 HydrophobicContact CE2-CD1 4.12Å; F645-L649 HydrophobicContact CE2-CD2 3.69Å; F645-L649 HydrophobicContact CE2-CG 3.67Å; F645-L649 HydrophobicContact CG-CD1 4.36Å; F645-L649 HydrophobicContact CG-CG 4.42Å; F645-L649 HydrophobicContact CZ-CD1 3.84Å; F645-L649 HydrophobicContact CZ-CD2 3.72Å; F645-L649 HydrophobicContact CZ-CG 3.85Å; F645-L649 WeakPolarHBondContact O-CB 3.22Å; F645-L649 VanDerWaalsContact O-CG 3.25Å; F645-L649 WeakPolarHBondContact O-CG 3.38Å; F645-L649 PolarHBondContact O-N 3.25Å; L646-L649 PolarHBondContact O-N 2.96Å; L649-K653 WeakPolarHBondContact O-CA 3.45Å; L649-K653 WeakPolarHBondContact O-CB 3.44Å; L649-K653 PolarHBondContact O-N 3.47Å; L649-L656 HydrophobicContact CD2-CD1 3.91Å; L649-L661 HydrophobicContact CD2-CD2 3.86Å |
| 650 | R | 96.3 | Very high | 94 | Very high | 130 Ų | 130 | 68.4 Ų | 68.4 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | -179.5 | -70.2 | 175 | 176.6 | 174.2 | 2.5 | 112.6 | L646 S647 F648 G757 | L646-R650 WeakPolarHBondContact O-CG 3.34Å; L646-R650 PolarHBondContact O-N 3.2Å; S647-R650 PolarHBondContact O-N 3.5Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 2.97Å; R650-G757 VanDerWaalsContact CZ-O 3.28Å; R650-G757 PolarHBondContact NE-O 3.02Å; R650-G757 PolarHBondContact NH2-O 3.27Å |
| 651 | K | 94.9 | Very high | 94.1 | Very high | 175 Ų | 175 | 68.2 Ų | 68.2 | 76% | 0.761 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70 | -34.7 | -179.4 | -175.4 | 177 | 179.7 | 179.8 | 0 | 112.3 | S647 F648 | S647-K651 VanDerWaalsContact O-CB 3.26Å; S647-K651 WeakPolarHBondContact O-CB 3.36Å; S647-K651 PolarHBondContact O-N 3.05Å; F648-K651 PolarHBondContact O-N 3.31Å |
| 652 | K | 93.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -106.7 | 11.5 | -174.3 | -66.8 | -66.3 | -170.2 | 173 | 0 | 114.1 | F648 D654 E655 L656 | F648-K652 HydrophobicContact CD2-CG 4.47Å; F648-K652 HydrophobicContact CE1-CB 4.47Å; F648-K652 HydrophobicContact CE2-CG 4.18Å; F648-K652 HydrophobicContact CZ-CG 4.2Å; F648-K652 WeakPolarHBondContact O-CB 3.49Å; F648-K652 PolarHBondContact O-N 3.41Å; K652-D654 PolarHBondContact O-N 3Å; K652-E655 VanDerWaalsContact CD-CD 3.5Å; K652-E655 HydrophobicContact CD-CG 4.48Å; K652-E655 WeakPolarHBondContact CD-OE1 3.33Å; K652-E655 WeakPolarHBondContact CD-OE2 3.41Å; K652-E655 IonicContact NZ-OE1 2.71Å; K652-E655 PolarHBondContact NZ-OE1 3.24Å; K652-E655 IonicContact NZ-OE2 3.13Å; K652-E655 PolarHBondContact NZ-OE2 3.4Å; K652-E655 PolarHBondContact O-N 3.44Å; K652-L656 HydrophobicContact CB-CD1 4Å; K652-L656 HydrophobicContact CB-CG 3.96Å; K652-L656 VanDerWaalsContact O-CG 3.3Å; K652-L656 WeakPolarHBondContact O-CG 3.39Å; K652-L656 PolarHBondContact O-N 3.06Å; K652-L656 VanDerWaalsContact O-N 3.08Å |
| 653 | K | 91.9 | Very high | 94.7 | Very high | 108 Ų | 108 | 65.3 Ų | 65.3 | 47% | 0.47 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -36.7 | -173.3 | 71.5 | 178.2 | -172.6 | 173.8 | 0 | 114.4 | L649 L756 | L649-K653 WeakPolarHBondContact O-CA 3.45Å; L649-K653 WeakPolarHBondContact O-CB 3.44Å; L649-K653 PolarHBondContact O-N 3.47Å; K653-L756 HydrophobicContact CB-CB 4.12Å; K653-L756 HydrophobicContact CB-CD1 3.97Å |
| 654 | D | 91.3 | Very high | 94.9 | Very high | 144 Ų | 144 | 63.8 Ų | 63.8 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -17.4 | -176.2 | -57.3 | -51.6 | 0 | 0 | 0 | 112.7 | K652 | K652-D654 PolarHBondContact O-N 3Š|
| 655 | E | 92.7 | Very high | 95.1 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -22.8 | 179.5 | -62.7 | 174.5 | -135.8 | 0 | 0 | 112.3 | K652 K657 | K652-E655 VanDerWaalsContact CD-CD 3.5Å; K652-E655 HydrophobicContact CD-CG 4.48Å; K652-E655 WeakPolarHBondContact CD-OE1 3.33Å; K652-E655 WeakPolarHBondContact CD-OE2 3.41Å; K652-E655 IonicContact NZ-OE1 2.71Å; K652-E655 PolarHBondContact NZ-OE1 3.24Å; K652-E655 IonicContact NZ-OE2 3.13Å; K652-E655 PolarHBondContact NZ-OE2 3.4Å; K652-E655 PolarHBondContact O-N 3.44Å; E655-K657 PolarHBondContact O-N 3.48Å |
| 656 | L | 93.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | trans | -77.4 | 119.7 | -172 | -72.4 | 171.2 | 0 | 0 | 0 | 112.5 | F648 L649 K652 Q660 L661 F664 L756 | F648-L656 HydrophobicContact CE1-CD1 4.4Å; F648-L656 HydrophobicContact CE1-CD2 3.99Å; L649-L656 HydrophobicContact CD2-CD1 3.91Å; K652-L656 HydrophobicContact CB-CD1 4Å; K652-L656 HydrophobicContact CB-CG 3.96Å; K652-L656 VanDerWaalsContact O-CG 3.3Å; K652-L656 WeakPolarHBondContact O-CG 3.39Å; K652-L656 PolarHBondContact O-N 3.06Å; K652-L656 VanDerWaalsContact O-N 3.08Å; L656-Q660 HydrophobicContact CD2-CG 4.11Å; L656-L661 HydrophobicContact CB-CD2 4.23Å; L656-L661 HydrophobicContact CD1-CD2 4.21Å; L656-F664 HydrophobicContact CD2-CE2 4.02Å; L656-L756 HydrophobicContact CB-CD2 4.44Å; L656-L756 HydrophobicContact CD1-CD2 4.37Å | ||
| 657 | K | 93.4 | Very high | 95.2 | Very high | 158 Ų | 158 | 62.2 Ų | 62.2 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | trans | -91.9 | 152.8 | 174.6 | -61.1 | -177.6 | -178.7 | -179.6 | 0 | 111 | E655 K659 Q660 L661 | E655-K657 PolarHBondContact O-N 3.48Å; K657-K659 PolarHBondContact O-N 2.97Å; K657-K659 VanDerWaalsContact O-N 3.14Å; K657-Q660 WeakPolarHBondContact O-CA 3.39Å; K657-Q660 WeakPolarHBondContact O-CB 3.37Å; K657-Q660 PolarHBondContact O-N 3.3Å; K657-L661 PolarHBondContact O-N 3.41Å | ||
| 658 | T | 93.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -49.5 | -43 | 177.3 | -50.6 | 0 | 0 | 0 | 0 | 113 | Q660 L661 V662 F754 P786 V821 | T658-Q660 PolarHBondContact O-N 3.23Å; T658-L661 WeakPolarHBondContact O-CB 3.47Å; T658-L661 PolarHBondContact O-N 2.87Å; T658-L661 VanDerWaalsContact O-N 3.15Å; T658-V662 HydrophobicContact CG2-CG2 4.45Å; T658-V662 WeakPolarHBondContact O-CG2 3.38Å; T658-V662 PolarHBondContact O-N 3.05Å; T658-F754 HydrophobicContact CG2-CE1 4.3Å; T658-P786 HydrophobicContact CG2-CG 3.49Å; T658-P786 VanDerWaalsContact CG2-CG 3.49Å; T658-V821 HydrophobicContact CG2-CG1 4.27Å |
| 659 | K | 93 | Very high | 95.5 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.9 | -37.8 | 176.6 | -169.6 | 176.1 | -175.1 | 171.1 | 0 | 113.1 | K657 K663 V821 | K657-K659 PolarHBondContact O-N 2.97Å; K657-K659 VanDerWaalsContact O-N 3.14Å; K659-K663 PolarHBondContact O-N 3.43Å; K659-K663 VanDerWaalsContact O-N 3.08Å; K659-V821 HydrophobicContact CB-CG1 4.03Å |
| 660 | Q | 94.4 | Very high | 95.5 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.5 | -38.7 | 179.8 | -169.6 | 169.2 | -8.8 | 0 | 0 | 111.6 | L656 K657 T658 V662 K663 F664 N696 | L656-Q660 HydrophobicContact CD2-CG 4.11Å; K657-Q660 WeakPolarHBondContact O-CA 3.39Å; K657-Q660 WeakPolarHBondContact O-CB 3.37Å; K657-Q660 PolarHBondContact O-N 3.3Å; T658-Q660 PolarHBondContact O-N 3.23Å; Q660-V662 VanDerWaalsContact C-N 3.33Å; Q660-V662 PolarHBondContact O-N 3.01Å; Q660-K663 WeakPolarHBondContact O-CB 3.31Å; Q660-K663 PolarHBondContact O-N 2.9Å; Q660-K663 VanDerWaalsContact O-N 3.13Å; Q660-F664 HydrophobicContact CG-CD2 4.21Å; Q660-F664 HydrophobicContact CG-CE2 3.68Å; Q660-F664 HydrophobicContact CG-CZ 4.12Å; Q660-F664 VanDerWaalsContact O-CD2 3.27Å; Q660-F664 WeakPolarHBondContact O-CD2 3.32Å; Q660-F664 PolarHBondContact O-N 3.07Å; Q660-N696 PolarHBondContact NE2-ND2 3.3Å; Q660-N696 VanDerWaalsContact NE2-ND2 3.1Å; Q660-N696 PolarHBondContact NE2-OD1 3.44Å |
| 661 | L | 96.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 172.9 | -60.2 | -179.3 | 0 | 0 | 0 | 111.9 | L649 L656 K657 T658 K663 F664 S665 T753 F754 L756 | L649-L661 HydrophobicContact CD2-CD2 3.86Å; L656-L661 HydrophobicContact CB-CD2 4.23Å; L656-L661 HydrophobicContact CD1-CD2 4.21Å; K657-L661 PolarHBondContact O-N 3.41Å; T658-L661 WeakPolarHBondContact O-CB 3.47Å; T658-L661 PolarHBondContact O-N 2.87Å; T658-L661 VanDerWaalsContact O-N 3.15Å; L661-K663 VanDerWaalsContact C-N 3.34Å; L661-F664 PolarHBondContact O-N 3.2Å; L661-S665 WeakPolarHBondContact O-CB 3.37Å; L661-S665 PolarHBondContact O-N 3.41Å; L661-S665 PolarHBondContact O-OG 3.1Å; L661-T753 HydrophobicContact CB-CG2 3.94Å; L661-T753 HydrophobicContact CD2-CG2 3.97Å; L661-T753 HydrophobicContact CG-CG2 4.48Å; L661-F754 HydrophobicContact CB-CD1 4.34Å; L661-F754 HydrophobicContact CB-CE1 3.9Å; L661-F754 HydrophobicContact CB-CZ 4.02Å; L661-F754 HydrophobicContact CD1-CD1 4.1Å; L661-F754 HydrophobicContact CD1-CE1 4.38Å; L661-L756 HydrophobicContact CD1-CD2 4Å; L661-L756 HydrophobicContact CD2-CD2 4.08Å |
| 662 | V | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | T658 Q660 S665 L666 F754 I789 I817 K818 | T658-V662 HydrophobicContact CG2-CG2 4.45Å; T658-V662 WeakPolarHBondContact O-CG2 3.38Å; T658-V662 PolarHBondContact O-N 3.05Å; Q660-V662 VanDerWaalsContact C-N 3.33Å; Q660-V662 PolarHBondContact O-N 3.01Å; V662-S665 WeakPolarHBondContact O-CB 3.48Å; V662-S665 PolarHBondContact O-N 3.38Å; V662-L666 WeakPolarHBondContact O-CB 3.25Å; V662-L666 PolarHBondContact O-N 3.5Å; V662-F754 HydrophobicContact CG2-CE1 4.26Å; V662-F754 HydrophobicContact CG2-CZ 3.86Å; V662-I789 HydrophobicContact CG2-CD1 4.19Å; V662-I789 HydrophobicContact CG2-CG1 4.49Å; V662-I817 HydrophobicContact CG1-CB 4.49Å; V662-I817 HydrophobicContact CG1-CG2 4.25Å; V662-I817 HydrophobicContact CG2-CG2 4.33Å; V662-K818 HydrophobicContact CG1-CB 3.81Å; V662-K818 HydrophobicContact CG1-CG 4.46Å |
| 663 | K | 96.3 | Very high | 96 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 24% | 0.239 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 174 | 177.9 | -177.1 | 172.5 | -178.3 | 0 | 111.5 | K659 Q660 L661 S665 L666 D667 S695 N696 | K659-K663 PolarHBondContact O-N 3.43Å; K659-K663 VanDerWaalsContact O-N 3.08Å; Q660-K663 WeakPolarHBondContact O-CB 3.31Å; Q660-K663 PolarHBondContact O-N 2.9Å; Q660-K663 VanDerWaalsContact O-N 3.13Å; L661-K663 VanDerWaalsContact C-N 3.34Å; K663-S665 VanDerWaalsContact C-N 3.29Å; K663-S665 PolarHBondContact O-N 3.41Å; K663-L666 WeakPolarHBondContact O-CB 3.4Å; K663-L666 PolarHBondContact O-N 3.13Å; K663-L666 VanDerWaalsContact O-N 3.16Å; K663-D667 PolarHBondContact O-N 3Å; K663-S695 PolarHBondContact NZ-O 3.45Å; K663-N696 WeakPolarHBondContact CE-O 3.37Å; K663-N696 PolarHBondContact NZ-O 2.89Å |
| 664 | F | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.7 | -68.9 | -48.7 | 0 | 0 | 0 | 112.4 | F645 F648 L656 Q660 L661 L666 D667 A668 V692 N696 L698 | F645-F664 HydrophobicContact CE2-CB 4.04Å; F645-F664 HydrophobicContact CE2-CD1 4.26Å; F645-F664 AromaticContact CE2-CD2 3.53Å; F645-F664 HydrophobicContact CE2-CD2 3.53Å; F645-F664 AromaticContact CE2-CE2 3.91Å; F645-F664 HydrophobicContact CE2-CE2 3.91Å; F645-F664 AromaticContact CE2-CG 3.71Å; F645-F664 HydrophobicContact CE2-CG 3.71Å; F645-F664 HydrophobicContact CE2-CZ 4.41Å; F645-F664 HydrophobicContact CZ-CB 3.67Å; F645-F664 AromaticContact CZ-CD2 3.86Å; F645-F664 HydrophobicContact CZ-CD2 3.86Å; F645-F664 AromaticContact CZ-CG 3.88Å; F645-F664 HydrophobicContact CZ-CG 3.88Å; F648-F664 HydrophobicContact CD1-CE2 4.46Å; F648-F664 HydrophobicContact CD1-CZ 4.35Å; F648-F664 AromaticContact CE1-CE2 3.79Å; F648-F664 HydrophobicContact CE1-CE2 3.79Å; F648-F664 AromaticContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CZ-CZ 4.12Å; L656-F664 HydrophobicContact CD2-CE2 4.02Å; Q660-F664 HydrophobicContact CG-CD2 4.21Å; Q660-F664 HydrophobicContact CG-CE2 3.68Å; Q660-F664 HydrophobicContact CG-CZ 4.12Å; Q660-F664 VanDerWaalsContact O-CD2 3.27Å; Q660-F664 WeakPolarHBondContact O-CD2 3.32Å; Q660-F664 PolarHBondContact O-N 3.07Å; L661-F664 PolarHBondContact O-N 3.2Å; F664-L666 VanDerWaalsContact C-N 3.33Å; F664-L666 PolarHBondContact O-N 3.48Å; F664-D667 PolarHBondContact O-N 2.88Å; F664-A668 PolarHBondContact O-N 3.47Å; F664-V692 HydrophobicContact CE1-CG1 3.94Å; F664-V692 HydrophobicContact CE1-CG2 4.44Å; F664-V692 HydrophobicContact CZ-CG1 4.17Å; F664-N696 HydrophobicContact CE1-CB 3.79Å; F664-N696 WeakPolarHBondContact CE1-O 3.39Å; F664-N696 HydrophobicContact CZ-CB 3.8Å; F664-L698 HydrophobicContact CB-CD1 4.01Å; F664-L698 HydrophobicContact CD1-CB 3.89Å; F664-L698 HydrophobicContact CD1-CD1 4.4Å |
| 665 | S | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | L661 V662 K663 A668 A669 L750 | L661-S665 WeakPolarHBondContact O-CB 3.37Å; L661-S665 PolarHBondContact O-N 3.41Å; L661-S665 PolarHBondContact O-OG 3.1Å; V662-S665 WeakPolarHBondContact O-CB 3.48Å; V662-S665 PolarHBondContact O-N 3.38Å; K663-S665 VanDerWaalsContact C-N 3.29Å; K663-S665 PolarHBondContact O-N 3.41Å; S665-A668 PolarHBondContact O-N 2.92Å; S665-A669 WeakPolarHBondContact O-CB 3.46Å; S665-A669 PolarHBondContact O-N 3.16Å; S665-L750 VanDerWaalsContact CB-CD2 3.49Å; S665-L750 WeakPolarHBondContact OG-CD2 3.42Å |
| 666 | L | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 12% | 0.115 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 177 | 177.2 | 62.6 | 0 | 0 | 0 | 112 | V662 K663 F664 A669 S670 Q811 L814 K818 | V662-L666 WeakPolarHBondContact O-CB 3.25Å; V662-L666 PolarHBondContact O-N 3.5Å; K663-L666 WeakPolarHBondContact O-CB 3.4Å; K663-L666 PolarHBondContact O-N 3.13Å; K663-L666 VanDerWaalsContact O-N 3.16Å; F664-L666 VanDerWaalsContact C-N 3.33Å; F664-L666 PolarHBondContact O-N 3.48Å; L666-A669 PolarHBondContact O-N 2.97Å; L666-S670 WeakPolarHBondContact O-CB 3.41Å; L666-S670 PolarHBondContact O-N 2.96Å; L666-Q811 HydrophobicContact CD1-CG 3.84Å; L666-Q811 VanDerWaalsContact CD1-O 3.32Å; L666-Q811 WeakPolarHBondContact CD1-O 3.47Å; L666-L814 HydrophobicContact CB-CB 4.27Å; L666-L814 HydrophobicContact CD1-CB 4.06Å; L666-K818 HydrophobicContact CD2-CD 3.69Å |
| 667 | D | 98.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 10% | 0.102 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 176.3 | -74.7 | -1.6 | 0 | 0 | 0 | 110.6 | N619 K663 F664 S670 G671 I697 L698 | N619-D667 VanDerWaalsContact CB-O 3.22Å; N619-D667 WeakPolarHBondContact CB-O 3.34Å; N619-D667 VanDerWaalsContact CG-O 3.25Å; N619-D667 VanDerWaalsContact ND2-CB 3.29Å; N619-D667 WeakPolarHBondContact ND2-CB 3.41Å; K663-D667 PolarHBondContact O-N 3Å; F664-D667 PolarHBondContact O-N 2.88Å; D667-S670 PolarHBondContact O-N 2.84Å; D667-G671 PolarHBondContact O-N 3.05Å; D667-I697 WeakPolarHBondContact OD2-CA 3.27Å; D667-L698 HydrophobicContact CB-CB 3.86Å; D667-L698 PolarHBondContact OD2-N 2.88Å |
| 668 | A | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F664 S665 S670 G671 M672 L698 F746 L749 | F664-A668 PolarHBondContact O-N 3.47Å; S665-A668 PolarHBondContact O-N 2.92Å; A668-S670 VanDerWaalsContact C-N 3.3Å; A668-S670 PolarHBondContact O-N 2.84Å; A668-G671 PolarHBondContact O-N 3.3Å; A668-M672 WeakPolarHBondContact O-CG 3.48Å; A668-M672 PolarHBondContact O-N 3.34Å; A668-L698 HydrophobicContact CB-CD2 3.8Å; A668-F746 HydrophobicContact CB-CE2 3.85Å; A668-L749 HydrophobicContact CB-CD2 3.88Å |
| 669 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S665 L666 M672 A673 F746 I810 Q811 L814 | S665-A669 WeakPolarHBondContact O-CB 3.46Å; S665-A669 PolarHBondContact O-N 3.16Å; L666-A669 PolarHBondContact O-N 2.97Å; A669-M672 PolarHBondContact O-N 3.32Å; A669-A673 VanDerWaalsContact O-CB 3.31Å; A669-A673 WeakPolarHBondContact O-CB 3.3Å; A669-A673 PolarHBondContact O-N 3.39Å; A669-F746 HydrophobicContact CB-CE2 3.97Å; A669-F746 HydrophobicContact CB-CZ 3.74Å; A669-I810 HydrophobicContact CB-CG2 4.24Å; A669-Q811 HydrophobicContact CB-CB 4.23Å; A669-L814 HydrophobicContact CB-CD1 3.89Å |
| 670 | S | 98.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 15% | 0.154 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.8 | -161.3 | 0 | 0 | 0 | 0 | 111.8 | L666 D667 A668 Y674 Q811 | L666-S670 WeakPolarHBondContact O-CB 3.41Å; L666-S670 PolarHBondContact O-N 2.96Å; D667-S670 PolarHBondContact O-N 2.84Å; A668-S670 VanDerWaalsContact C-N 3.3Å; A668-S670 PolarHBondContact O-N 2.84Å; S670-Y674 PolarHBondContact O-N 2.78Å; S670-Y674 VanDerWaalsContact O-N 3.15Å; S670-Q811 PolarHBondContact OG-NE2 3.16Å |
| 671 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D667 A668 Y674 L675 | D667-G671 PolarHBondContact O-N 3.05Å; A668-G671 PolarHBondContact O-N 3.3Å; G671-Y674 WeakPolarHBondContact O-CB 3.04Å; G671-Y674 PolarHBondContact O-N 3.01Å; G671-L675 WeakPolarHBondContact O-CG 3.38Å; G671-L675 PolarHBondContact O-N 2.93Å |
| 672 | M | 98.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.7 | -35.8 | 179.9 | -69.4 | -55 | -57.3 | 0 | 0 | 113.5 | A668 A669 Y674 L675 E676 H682 L685 I700 D742 F807 | A668-M672 WeakPolarHBondContact O-CG 3.48Å; A668-M672 PolarHBondContact O-N 3.34Å; A669-M672 PolarHBondContact O-N 3.32Å; M672-Y674 VanDerWaalsContact C-N 3.28Å; M672-Y674 PolarHBondContact O-N 2.98Å; M672-L675 HydrophobicContact CE-CD1 4.42Å; M672-L675 PolarHBondContact O-N 3.28Å; M672-L675 HydrophobicContact SD-CD1 3.87Å; M672-E676 WeakPolarHBondContact O-CB 3.41Å; M672-E676 PolarHBondContact O-N 2.83Å; M672-H682 HydrophobicContact CE-CB 4.01Å; M672-H682 HydrophobicContact SD-CB 4.34Å; M672-L685 HydrophobicContact CE-CD2 4.22Å; M672-L685 HydrophobicContact CG-CD1 4.43Å; M672-L685 HydrophobicContact CG-CD2 3.78Å; M672-L685 HydrophobicContact SD-CD1 3.95Å; M672-L685 HydrophobicContact SD-CD2 3.79Å; M672-L685 HydrophobicContact SD-CG 4.37Å; M672-I700 HydrophobicContact CG-CD1 3.67Å; M672-I700 HydrophobicContact SD-CD1 3.57Å; M672-I700 VanDerWaalsContact SD-CD1 3.57Å; M672-D742 HydrophobicContact CE-CB 3.65Å; M672-F807 HydrophobicContact CB-CB 4.47Å; M672-F807 HydrophobicContact CB-CD1 3.41Å; M672-F807 VanDerWaalsContact CB-CD1 3.41Å; M672-F807 HydrophobicContact CB-CD2 3.85Å; M672-F807 HydrophobicContact CB-CE1 3.36Å; M672-F807 HydrophobicContact CB-CE2 3.81Å; M672-F807 HydrophobicContact CB-CG 3.65Å; M672-F807 HydrophobicContact CB-CZ 3.57Å; M672-F807 HydrophobicContact CE-CE2 3.73Å; M672-F807 HydrophobicContact CE-CZ 3.7Å; M672-F807 HydrophobicContact CG-CD1 4.28Å; M672-F807 HydrophobicContact CG-CE1 3.76Å; M672-F807 HydrophobicContact CG-CE2 4.43Å; M672-F807 HydrophobicContact CG-CZ 3.84Å |
| 673 | A | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 13% | 0.132 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.6 | -37.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A669 S677 F807 | A669-A673 VanDerWaalsContact O-CB 3.31Å; A669-A673 WeakPolarHBondContact O-CB 3.3Å; A669-A673 PolarHBondContact O-N 3.39Å; A673-S677 PolarHBondContact O-N 3.47Å; A673-S677 VanDerWaalsContact O-N 3.07Å; A673-F807 HydrophobicContact CB-CB 3.87Å |
| 674 | Y | 97.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 20.1 Ų | 20.1 | 18% | 0.176 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.2 | 178 | -94.8 | 0 | 0 | 0 | 111.6 | Y615 D616 H617 I620 S670 G671 M672 S677 K678 | Y615-Y674 HydrophobicContact CD1-CE1 4.04Å; Y615-Y674 HydrophobicContact CG-CE1 4.02Å; D616-Y674 PolarHBondContact N-OH 3.39Å; H617-Y674 HydrophobicContact CB-CD1 3.77Å; H617-Y674 HydrophobicContact CB-CD2 4.08Å; H617-Y674 HydrophobicContact CB-CE1 3.92Å; H617-Y674 HydrophobicContact CB-CE2 4.19Å; H617-Y674 HydrophobicContact CB-CG 3.85Å; H617-Y674 AromaticContact CD2-CD2 3.65Å; H617-Y674 AromaticContact CD2-CG 3.71Å; H617-Y674 AromaticContact CG-CG 3.77Å; I620-Y674 HydrophobicContact CG1-CD1 4.19Å; S670-Y674 PolarHBondContact O-N 2.78Å; S670-Y674 VanDerWaalsContact O-N 3.15Å; G671-Y674 WeakPolarHBondContact O-CB 3.04Å; G671-Y674 PolarHBondContact O-N 3.01Å; M672-Y674 VanDerWaalsContact C-N 3.28Å; M672-Y674 PolarHBondContact O-N 2.98Å; Y674-S677 PolarHBondContact O-N 3.3Å; Y674-S677 PolarHBondContact O-OG 3.22Å; Y674-K678 HydrophobicContact CE1-CG 4.22Å; Y674-K678 WeakPolarHBondContact O-CG 3.43Å; Y674-K678 PolarHBondContact O-N 3.07Å |
| 675 | L | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.7 | -65.4 | 179.7 | 0 | 0 | 0 | 112.3 | Y615 I620 G671 M672 S677 K678 N679 C680 H682 F703 | Y615-L675 HydrophobicContact CD2-CD2 3.7Å; Y615-L675 HydrophobicContact CE2-CD2 3.51Å; I620-L675 HydrophobicContact CD1-CD1 4.01Å; I620-L675 HydrophobicContact CD1-CD2 4.02Å; I620-L675 HydrophobicContact CD1-CG 3.87Å; G671-L675 WeakPolarHBondContact O-CG 3.38Å; G671-L675 PolarHBondContact O-N 2.93Å; M672-L675 HydrophobicContact CE-CD1 4.42Å; M672-L675 PolarHBondContact O-N 3.28Å; M672-L675 HydrophobicContact SD-CD1 3.87Å; L675-S677 VanDerWaalsContact C-N 3.29Å; L675-S677 PolarHBondContact O-N 3.48Å; L675-K678 CarbonylContact O-C 3.53Å; L675-K678 WeakPolarHBondContact O-CA 3.36Å; L675-K678 PolarHBondContact O-N 2.99Å; L675-N679 PolarHBondContact O-N 3.27Å; L675-C680 HydrophobicContact CB-CB 4.09Å; L675-C680 HydrophobicContact CD2-CB 4.23Å; L675-C680 WeakPolarHBondContact O-CB 3.33Å; L675-C680 PolarHBondContact O-N 3.49Å; L675-H682 HydrophobicContact CD1-CB 4.48Å; L675-F703 HydrophobicContact CD1-CE1 3.65Å; L675-F703 HydrophobicContact CD1-CZ 4.06Å; L675-F703 HydrophobicContact CD2-CE1 3.73Å; L675-F703 HydrophobicContact CD2-CZ 4.26Å; L675-F703 HydrophobicContact CG-CE1 4.35Å |
| 676 | E | 95.5 | Very high | 96.2 | Very high | 37 Ų | 37 | 20 Ų | 20 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.3 | -43.6 | 173.6 | -178.7 | 179.9 | -134.6 | 0 | 0 | 110.9 | M672 K678 N679 F807 | M672-E676 WeakPolarHBondContact O-CB 3.41Å; M672-E676 PolarHBondContact O-N 2.83Å; E676-K678 PolarHBondContact O-N 3.41Å; E676-K678 VanDerWaalsContact O-N 3.13Å; E676-N679 PolarHBondContact O-N 3.47Å; E676-F807 HydrophobicContact CB-CD2 4.38Å; E676-F807 PolarHBondContact OE2-N 2.93Å |
| 677 | S | 94.8 | Very high | 96.1 | Very high | 83 Ų | 83 | 19 Ų | 19 | 58% | 0.58 | 10% | 0.104 | S | C | * | . | H | α-helix | trans | -65.9 | -14.1 | 176.8 | 80.9 | 0 | 0 | 0 | 0 | 114.8 | A673 Y674 L675 | A673-S677 PolarHBondContact O-N 3.47Å; A673-S677 VanDerWaalsContact O-N 3.07Å; Y674-S677 PolarHBondContact O-N 3.3Å; Y674-S677 PolarHBondContact O-OG 3.22Å; L675-S677 VanDerWaalsContact C-N 3.29Å; L675-S677 PolarHBondContact O-N 3.48Å |
| 678 | K | 93.6 | Very high | 96 | Very high | 85 Ų | 85 | 21.8 Ų | 21.8 | 37% | 0.37 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 9 | 176.7 | -63 | -61.7 | -175.2 | 179.6 | 0 | 112.5 | Y615 Y674 L675 E676 C680 Q708 | Y615-K678 HydrophobicContact CD1-CG 4.19Å; Y615-K678 HydrophobicContact CE1-CB 3.82Å; Y615-K678 HydrophobicContact CE1-CG 3.93Å; Y674-K678 HydrophobicContact CE1-CG 4.22Å; Y674-K678 WeakPolarHBondContact O-CG 3.43Å; Y674-K678 PolarHBondContact O-N 3.07Å; L675-K678 CarbonylContact O-C 3.53Å; L675-K678 WeakPolarHBondContact O-CA 3.36Å; L675-K678 PolarHBondContact O-N 2.99Å; E676-K678 PolarHBondContact O-N 3.41Å; E676-K678 VanDerWaalsContact O-N 3.13Å; K678-C680 PolarHBondContact O-N 3.34Å; K678-Q708 PolarHBondContact O-NE2 2.66Å; K678-Q708 VanDerWaalsContact O-NE2 3.17Å |
| 679 | N | 92.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 22.5 Ų | 22.5 | 38% | 0.38 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.8 | -172.4 | -58.5 | -26.3 | 0 | 0 | 0 | 112.4 | L675 E676 Q708 E709 | L675-N679 PolarHBondContact O-N 3.27Å; E676-N679 PolarHBondContact O-N 3.47Å; N679-Q708 WeakPolarHBondContact O-CA 3.49Å; N679-E709 WeakPolarHBondContact CB-O 3.43Å; N679-E709 PolarHBondContact O-N 2.69Å |
| 680 | C | 93.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.2 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | Y615 L675 K678 R707 | Y615-C680 HydrophobicContact CE2-CB 4.28Å; Y615-C680 WeakPolarHBondContact OH-CB 3.26Å; Y615-C680 PolarHBondContact OH-SG 2.94Å; Y615-C680 VanDerWaalsContact OH-SG 3.4Å; L675-C680 HydrophobicContact CB-CB 4.09Å; L675-C680 HydrophobicContact CD2-CB 4.23Å; L675-C680 WeakPolarHBondContact O-CB 3.33Å; L675-C680 PolarHBondContact O-N 3.49Å; K678-C680 PolarHBondContact O-N 3.34Å; C680-R707 WeakPolarHBondContact CA-O 3.29Å |
| 681 | I | 94.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.4 | 174.7 | -47.4 | 165.4 | 0 | 0 | 0 | 107.7 | R683 S706 R707 E709 Y737 D742 | I681-R683 HydrophobicContact CB-CG 4.26Å; I681-R683 HydrophobicContact CG2-CG 3.62Å; I681-S706 CarbonylContact O-C 3.57Å; I681-S706 WeakPolarHBondContact O-CA 3.42Å; I681-S706 WeakPolarHBondContact O-CB 3.18Å; I681-R707 PolarHBondContact N-O 3.23Å; I681-R707 PolarHBondContact O-N 2.89Å; I681-E709 HydrophobicContact CD1-CG 4.38Å; I681-Y737 WeakPolarHBondContact CD1-O 3.44Å; I681-D742 WeakPolarHBondContact CA-OD2 3.47Å |
| 682 | H | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -73.7 | -47.4 | -173.6 | -169.8 | -80.9 | 0 | 0 | 0 | 112.6 | M672 L675 D684 L685 I700 S701 F703 S706 D742 | M672-H682 HydrophobicContact CE-CB 4.01Å; M672-H682 HydrophobicContact SD-CB 4.34Å; L675-H682 HydrophobicContact CD1-CB 4.48Å; H682-D684 PolarHBondContact CE1-O 3.28Å; H682-D684 VanDerWaalsContact ND1-C 3.29Å; H682-D684 PolarHBondContact ND1-N 3.19Å; H682-D684 PolarHBondContact O-N 2.95Å; H682-D684 VanDerWaalsContact O-N 3.11Å; H682-L685 PolarHBondContact ND1-N 3.3Å; H682-I700 WeakPolarHBondContact NE2-CG2 3.49Å; H682-S701 PolarHBondContact NE2-O 3.49Å; H682-F703 AromaticContact CD2-CD1 3.98Å; H682-F703 AromaticContact CD2-CE1 3.72Å; H682-S706 WeakPolarHBondContact CA-OG 3.24Å; H682-S706 WeakPolarHBondContact O-CA 3.26Å; H682-S706 PolarHBondContact O-OG 2.96Å; H682-D742 PolarHBondContact N-OD2 2.96Å | ||
| 683 | R | 92.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 71.2 | -14.8 | 174.1 | -52 | 175.4 | 56.9 | -159.7 | 13.4 | 117.6 | I681 M705 Y714 Y737 D742 | I681-R683 HydrophobicContact CB-CG 4.26Å; I681-R683 HydrophobicContact CG2-CG 3.62Å; R683-M705 HydrophobicContact CB-CB 4.39Å; R683-M705 HydrophobicContact CB-CE 4.27Å; R683-M705 WeakPolarHBondContact CD-O 3.46Å; R683-M705 PolarHBondContact NH1-O 2.96Å; R683-M705 VanDerWaalsContact NH1-O 3.08Å; R683-Y714 VanDerWaalsContact CZ-CD1 3.49Å; R683-Y737 HydrophobicContact CB-CD1 3.96Å; R683-Y737 HydrophobicContact CB-CE1 4.19Å; R683-Y737 HydrophobicContact CG-CD1 3.67Å; R683-Y737 HydrophobicContact CG-CE1 4.36Å; R683-Y737 HydrophobicContact CG-CG 4.12Å; R683-Y737 VanDerWaalsContact NH2-CE2 3.28Å; R683-D742 WeakPolarHBondContact CA-OD1 3.42Å; R683-D742 PolarHBondContact N-OD1 3.44Å |
| 684 | D | 92.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | trans | -133.7 | 44.8 | 173.9 | -165.3 | 17 | 0 | 0 | 0 | 112.1 | H682 A686 R688 N689 M705 P723 | H682-D684 PolarHBondContact CE1-O 3.28Å; H682-D684 VanDerWaalsContact ND1-C 3.29Å; H682-D684 PolarHBondContact ND1-N 3.19Å; H682-D684 PolarHBondContact O-N 2.95Å; H682-D684 VanDerWaalsContact O-N 3.11Å; D684-A686 PolarHBondContact O-N 3.19Å; D684-R688 IonicContact OD1-CZ 3.18Å; D684-R688 IonicContact OD1-NH2 3.7Å; D684-R688 PolarHBondContact OD1-NH2 2.88Å; D684-N689 PolarHBondContact O-ND2 3.49Å; D684-N689 PolarHBondContact OD1-ND2 3.5Å; D684-N689 PolarHBondContact OD2-ND2 2.97Å; D684-M705 HydrophobicContact CB-CB 4.46Å; D684-M705 HydrophobicContact CB-SD 4.13Å; D684-P723 HydrophobicContact CB-CG 4.5Å; D684-P723 WeakPolarHBondContact OD1-CB 3.48Å; D684-P723 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 685 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -74 | 117.4 | 177 | -178.1 | 67.9 | 0 | 0 | 0 | 110.4 | M672 H682 I700 F746 L749 | M672-L685 HydrophobicContact CE-CD2 4.22Å; M672-L685 HydrophobicContact CG-CD1 4.43Å; M672-L685 HydrophobicContact CG-CD2 3.78Å; M672-L685 HydrophobicContact SD-CD1 3.95Å; M672-L685 HydrophobicContact SD-CD2 3.79Å; M672-L685 HydrophobicContact SD-CG 4.37Å; H682-L685 PolarHBondContact ND1-N 3.3Å; L685-I700 HydrophobicContact CD1-CD1 4.35Å; L685-I700 HydrophobicContact CD1-CG2 4.24Å; L685-F746 HydrophobicContact CD2-CB 3.89Å; L685-F746 HydrophobicContact CD2-CD2 4.13Å; L685-L749 HydrophobicContact CD1-CD2 4.12Å; L685-L749 HydrophobicContact CD2-CD2 4.37Å; L685-L749 HydrophobicContact CG-CD2 4.18Å | ||
| 686 | A | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -158.2 | 163.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D684 R688 N689 C690 W726 | D684-A686 PolarHBondContact O-N 3.19Å; A686-R688 HydrophobicContact CB-CG 3.95Å; A686-R688 PolarHBondContact O-N 3.35Å; A686-N689 PolarHBondContact O-N 2.9Å; A686-C690 PolarHBondContact O-N 3.39Å; A686-C690 PolarHBondContact O-SG 3.45Å; A686-W726 HydrophobicContact CB-CD2 4.31Å; A686-W726 HydrophobicContact CB-CG 4.11Å |
| 687 | A | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.8 | -32.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F645 L646 N689 C690 L749 E752 | F645-A687 WeakPolarHBondContact CB-O 3.48Å; F645-A687 HydrophobicContact CD1-CB 4.04Å; F645-A687 PolarHBondContact N-O 3.48Å; L646-A687 HydrophobicContact CB-CB 3.93Å; L646-A687 HydrophobicContact CD1-CB 4.38Å; L646-A687 PolarHBondContact N-O 3.49Å; A687-N689 PolarHBondContact O-N 2.9Å; A687-C690 PolarHBondContact O-N 2.99Å; A687-L749 HydrophobicContact CB-CD1 3.85Å; A687-E752 HydrophobicContact CB-CB 4.08Å; A687-E752 HydrophobicContact CB-CG 4.49Å; A687-E752 PolarHBondContact N-OE2 3.44Å |
| 688 | R | 95.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -65.3 | -22.7 | 174.9 | 61.7 | 171 | -178.8 | -74.4 | -9 | 114.1 | L646 D684 A686 P723 | L646-R688 HydrophobicContact CB-CB 4.47Å; L646-R688 HydrophobicContact CD2-CB 4.29Å; D684-R688 IonicContact OD1-CZ 3.18Å; D684-R688 IonicContact OD1-NH2 3.7Å; D684-R688 PolarHBondContact OD1-NH2 2.88Å; A686-R688 HydrophobicContact CB-CG 3.95Å; A686-R688 PolarHBondContact O-N 3.35Å; R688-P723 VanDerWaalsContact NH2-CB 3.33Å |
| 689 | N | 95.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.08 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -105.5 | 10.9 | -178 | -66.1 | -11.8 | 0 | 0 | 0 | 111.7 | D684 A686 A687 S701 D702 | D684-N689 PolarHBondContact O-ND2 3.49Å; D684-N689 PolarHBondContact OD1-ND2 3.5Å; D684-N689 PolarHBondContact OD2-ND2 2.97Å; A686-N689 PolarHBondContact O-N 2.9Å; A687-N689 PolarHBondContact O-N 2.9Å; N689-S701 CarbonylContact O-C 3.54Å; N689-S701 WeakPolarHBondContact O-CA 3.46Å; N689-S701 PolarHBondContact O-N 3.29Å; N689-S701 VanDerWaalsContact O-O 3.12Å; N689-D702 HydrophobicContact CB-CB 4.25Å |
| 690 | C | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.3 | 167.5 | -62.6 | 0 | 0 | 0 | 0 | 108.7 | D644 F645 A686 A687 L698 K699 | D644-C690 CarbonylContact C-O 3.58Å; D644-C690 WeakPolarHBondContact CA-O 3.43Å; F645-C690 HydrophobicContact CB-CB 3.79Å; F645-C690 WeakPolarHBondContact CB-O 3.42Å; F645-C690 HydrophobicContact CD1-CB 4.28Å; F645-C690 HydrophobicContact CG-CB 4.42Å; F645-C690 PolarHBondContact N-O 3.39Å; A686-C690 PolarHBondContact O-N 3.39Å; A686-C690 PolarHBondContact O-SG 3.45Å; A687-C690 PolarHBondContact O-N 2.99Å; C690-L698 HydrophobicContact CB-CD1 4.06Å; C690-L698 HydrophobicContact CB-CD2 3.9Å; C690-L698 HydrophobicContact CB-CG 3.99Å; C690-K699 CarbonylContact C-O 3.58Å; C690-K699 WeakPolarHBondContact CA-O 3.47Å |
| 691 | L | 96.7 | Very high | 94.1 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 18% | 0.183 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 148.8 | 179.2 | -56.8 | 175.8 | 0 | 0 | 0 | 110.2 | V640 G643 D644 L698 K699 | V640-L691 HydrophobicContact CB-CB 3.8Å; V640-L691 HydrophobicContact CB-CD1 3.92Å; V640-L691 HydrophobicContact CB-CG 4.47Å; V640-L691 HydrophobicContact CG1-CB 3.61Å; V640-L691 HydrophobicContact CG2-CB 4.17Å; V640-L691 HydrophobicContact CG2-CD1 3.85Å; G643-L691 VanDerWaalsContact O-CA 3.29Å; G643-L691 WeakPolarHBondContact O-CA 3.48Å; D644-L691 HydrophobicContact CB-CD2 4.39Å; L691-L698 WeakPolarHBondContact O-CA 3.48Å; L691-K699 PolarHBondContact N-O 3.25Å; L691-K699 PolarHBondContact O-N 2.87Å |
| 692 | V | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.5 | 178.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | V640 G642 G643 F645 F648 F664 | V640-V692 WeakPolarHBondContact CG1-O 3.48Å; G642-V692 WeakPolarHBondContact CA-O 3.45Å; G642-V692 PolarHBondContact N-O 3.07Å; G643-V692 PolarHBondContact O-N 3.38Å; F645-V692 HydrophobicContact CB-CG2 4.03Å; F645-V692 HydrophobicContact CD2-CG2 3.56Å; F645-V692 HydrophobicContact CE2-CG2 4.45Å; F645-V692 HydrophobicContact CG-CG2 4.21Å; F648-V692 HydrophobicContact CB-CG2 4.09Å; F648-V692 HydrophobicContact CD1-CG2 4.03Å; F648-V692 HydrophobicContact CD2-CB 4.2Å; F648-V692 HydrophobicContact CD2-CG1 4.21Å; F648-V692 HydrophobicContact CD2-CG2 4.27Å; F648-V692 HydrophobicContact CE1-CG1 4.43Å; F648-V692 HydrophobicContact CE2-CB 4.5Å; F648-V692 HydrophobicContact CE2-CG1 4.01Å; F648-V692 HydrophobicContact CG-CB 4.32Å; F648-V692 HydrophobicContact CG-CG2 3.88Å; F648-V692 HydrophobicContact CZ-CG1 4.13Å; F664-V692 HydrophobicContact CE1-CG1 3.94Å; F664-V692 HydrophobicContact CE1-CG2 4.44Å; F664-V692 HydrophobicContact CZ-CG1 4.17Å |
| 693 | G | 90.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 12% | 0.124 | 15% | 0.153 | C | C | . | . | trans | -84.9 | -174.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V640 N696 I697 | V640-G693 VanDerWaalsContact CG1-CA 3.45Å; V640-G693 VanDerWaalsContact CG1-N 3.32Å; G693-N696 PolarHBondContact O-N 3.44Å; G693-I697 PolarHBondContact N-O 3.03Å | ||
| 694 | E | 82.5 | Confident | 92.8 | Very high | 152 Ų | 152 | 28.8 Ų | 28.8 | 71% | 0.71 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -57.5 | 150.7 | 172.4 | -61.8 | -176.1 | 175.5 | 0 | 0 | 111.1 | P641 N696 I697 | P641-E694 HydrophobicContact CG-CG 3.8Å; E694-N696 PolarHBondContact O-N 3.03Å; E694-N696 VanDerWaalsContact O-N 3.14Å; E694-I697 PolarHBondContact O-N 3.42Å |
| 695 | S | 84.9 | Confident | 92.2 | Very high | 101 Ų | 101 | 29.2 Ų | 29.2 | 71% | 0.706 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | 58.4 | 23.1 | -176.3 | -56.9 | 0 | 0 | 0 | 0 | 115.1 | K663 I697 | K663-S695 PolarHBondContact NZ-O 3.45Å; S695-I697 PolarHBondContact O-N 3.42Å |
| 696 | N | 88.5 | Confident | 91.6 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | 55.9 | 48.7 | 179.9 | -60 | -54.3 | 0 | 0 | 0 | 112.1 | Q660 K663 F664 G693 E694 | Q660-N696 PolarHBondContact NE2-ND2 3.3Å; Q660-N696 VanDerWaalsContact NE2-ND2 3.1Å; Q660-N696 PolarHBondContact NE2-OD1 3.44Å; K663-N696 WeakPolarHBondContact CE-O 3.37Å; K663-N696 PolarHBondContact NZ-O 2.89Å; F664-N696 HydrophobicContact CE1-CB 3.79Å; F664-N696 WeakPolarHBondContact CE1-O 3.39Å; F664-N696 HydrophobicContact CZ-CB 3.8Å; G693-N696 PolarHBondContact O-N 3.44Å; E694-N696 PolarHBondContact O-N 3.03Å; E694-N696 VanDerWaalsContact O-N 3.14Å |
| 697 | I | 95.5 | Very high | 90.9 | Very high | 63 Ų | 63 | 31.3 Ų | 31.3 | 32% | 0.323 | 16% | 0.163 | S | C | . | . | trans | -93.5 | 126.3 | 170.9 | -63.1 | 173.5 | 0 | 0 | 0 | 108 | D667 G693 E694 S695 | D667-I697 WeakPolarHBondContact OD2-CA 3.27Å; G693-I697 PolarHBondContact N-O 3.03Å; E694-I697 PolarHBondContact O-N 3.42Å; S695-I697 PolarHBondContact O-N 3.42Å | ||
| 698 | L | 98.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 135.9 | 175.4 | -176.5 | 156.9 | 0 | 0 | 0 | 110.8 | N619 F645 F664 D667 A668 C690 L691 | N619-L698 PolarHBondContact ND2-O 3.11Å; F645-L698 HydrophobicContact CB-CD1 4.46Å; F645-L698 HydrophobicContact CD1-CD1 3.57Å; F645-L698 HydrophobicContact CD2-CD1 4.11Å; F645-L698 HydrophobicContact CE1-CD1 3.64Å; F645-L698 HydrophobicContact CE2-CD1 4.18Å; F645-L698 HydrophobicContact CG-CD1 3.8Å; F645-L698 HydrophobicContact CZ-CD1 3.95Å; F664-L698 HydrophobicContact CB-CD1 4.01Å; F664-L698 HydrophobicContact CD1-CB 3.89Å; F664-L698 HydrophobicContact CD1-CD1 4.4Å; D667-L698 HydrophobicContact CB-CB 3.86Å; D667-L698 PolarHBondContact OD2-N 2.88Å; A668-L698 HydrophobicContact CB-CD2 3.8Å; C690-L698 HydrophobicContact CB-CD1 4.06Å; C690-L698 HydrophobicContact CB-CD2 3.9Å; C690-L698 HydrophobicContact CB-CG 3.99Å; L691-L698 WeakPolarHBondContact O-CA 3.48Å |
| 699 | K | 98.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 33.8 Ų | 33.8 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.5 | 174.2 | -59.5 | -166.9 | 174.3 | -159.4 | 0 | 111.1 | P618 N619 E638 V640 C690 L691 | P618-K699 WeakPolarHBondContact O-CE 3.24Å; N619-K699 CarbonylContact O-C 3.5Å; N619-K699 WeakPolarHBondContact O-CA 3.37Å; E638-K699 IonicContact OE1-NZ 3.79Å; E638-K699 PolarHBondContact OE1-NZ 3.03Å; E638-K699 IonicContact OE2-NZ 3.58Å; E638-K699 PolarHBondContact OE2-NZ 2.94Å; V640-K699 HydrophobicContact CG2-CD 4.26Å; C690-K699 CarbonylContact C-O 3.58Å; C690-K699 WeakPolarHBondContact CA-O 3.47Å; L691-K699 PolarHBondContact N-O 3.25Å; L691-K699 PolarHBondContact O-N 2.87Å |
| 700 | I | 97.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 139.5 | 174.2 | -55.2 | 174.8 | 0 | 0 | 0 | 108.9 | N619 I620 V621 M672 H682 L685 F703 | N619-I700 PolarHBondContact O-N 3.5Å; I620-I700 HydrophobicContact CD1-CB 4.01Å; I620-I700 HydrophobicContact CD1-CD1 4.1Å; I620-I700 HydrophobicContact CD1-CG1 4.4Å; V621-I700 PolarHBondContact N-O 2.87Å; M672-I700 HydrophobicContact CG-CD1 3.67Å; M672-I700 HydrophobicContact SD-CD1 3.57Å; M672-I700 VanDerWaalsContact SD-CD1 3.57Å; H682-I700 WeakPolarHBondContact NE2-CG2 3.49Å; L685-I700 HydrophobicContact CD1-CD1 4.35Å; L685-I700 HydrophobicContact CD1-CG2 4.24Å; I700-F703 HydrophobicContact CG2-CE2 4.46Å; I700-F703 HydrophobicContact CG2-CZ 4.14Å |
| 701 | S | 93.6 | Very high | 87.1 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | trans | -140.1 | 179.1 | -177.2 | -163.6 | 0 | 0 | 0 | 0 | 111.2 | H682 N689 | H682-S701 PolarHBondContact NE2-O 3.49Å; N689-S701 CarbonylContact O-C 3.54Å; N689-S701 WeakPolarHBondContact O-CA 3.46Å; N689-S701 PolarHBondContact O-N 3.29Å; N689-S701 VanDerWaalsContact O-O 3.12Å | ||
| 702 | D | 86.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | trans | 59.9 | 70.7 | -180 | -154.5 | 1.8 | 0 | 0 | 0 | 115.1 | K591 N689 G704 | K591-D702 IonicContact NZ-OD1 3.87Å; K591-D702 PolarHBondContact NZ-OD1 3.29Å; N689-D702 HydrophobicContact CB-CB 4.25Å; D702-G704 PolarHBondContact O-N 3.38Å | ||
| 703 | F | 86.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -86 | 15.2 | 179.7 | -66.4 | -103.6 | 0 | 0 | 0 | 113.3 | E608 I611 L612 Y615 I620 V621 L675 H682 I700 M705 S706 | E608-F703 HydrophobicContact CB-CB 4.49Å; E608-F703 HydrophobicContact CG-CB 4.03Å; E608-F703 PolarHBondContact OE1-N 3.24Å; I611-F703 HydrophobicContact CG2-CB 4.28Å; I611-F703 HydrophobicContact CG2-CD1 3.78Å; I611-F703 HydrophobicContact CG2-CG 4.3Å; L612-F703 HydrophobicContact CD1-CD2 4.27Å; L612-F703 HydrophobicContact CD2-CD2 3.56Å; L612-F703 HydrophobicContact CD2-CE2 3.62Å; L612-F703 HydrophobicContact CD2-CG 4.1Å; L612-F703 HydrophobicContact CD2-CZ 4.17Å; L612-F703 HydrophobicContact CG-CD2 4.04Å; L612-F703 HydrophobicContact CG-CG 4.34Å; Y615-F703 HydrophobicContact CE2-CE1 4.42Å; I620-F703 HydrophobicContact CD1-CZ 4.22Å; I620-F703 HydrophobicContact CG2-CE2 4.03Å; I620-F703 HydrophobicContact CG2-CZ 3.71Å; V621-F703 HydrophobicContact CG1-CE2 4.22Å; L675-F703 HydrophobicContact CD1-CE1 3.65Å; L675-F703 HydrophobicContact CD1-CZ 4.06Å; L675-F703 HydrophobicContact CD2-CE1 3.73Å; L675-F703 HydrophobicContact CD2-CZ 4.26Å; L675-F703 HydrophobicContact CG-CE1 4.35Å; H682-F703 AromaticContact CD2-CD1 3.98Å; H682-F703 AromaticContact CD2-CE1 3.72Å; I700-F703 HydrophobicContact CG2-CE2 4.46Å; I700-F703 HydrophobicContact CG2-CZ 4.14Å; F703-M705 PolarHBondContact O-N 2.82Å; F703-M705 VanDerWaalsContact O-N 3.12Å; F703-S706 WeakPolarHBondContact CA-OG 3.45Å; F703-S706 WeakPolarHBondContact CD1-OG 3.35Å; F703-S706 WeakPolarHBondContact O-CB 3.39Å; F703-S706 PolarHBondContact O-N 3.17Å; F703-S706 PolarHBondContact O-OG 3.02Å |
| 704 | G | 79.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -63.6 | -18.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D702 | D702-G704 PolarHBondContact O-N 3.38Š|
| 705 | M | 80.9 | Confident | 83.4 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -103.1 | -11.4 | 174.6 | -74.6 | -170.2 | 43.9 | 0 | 0 | 114.1 | R683 D684 F703 L719 | R683-M705 HydrophobicContact CB-CB 4.39Å; R683-M705 HydrophobicContact CB-CE 4.27Å; R683-M705 WeakPolarHBondContact CD-O 3.46Å; R683-M705 PolarHBondContact NH1-O 2.96Å; R683-M705 VanDerWaalsContact NH1-O 3.08Å; D684-M705 HydrophobicContact CB-CB 4.46Å; D684-M705 HydrophobicContact CB-SD 4.13Å; F703-M705 PolarHBondContact O-N 2.82Å; F703-M705 VanDerWaalsContact O-N 3.12Å; M705-L719 HydrophobicContact CE-CD1 3.93Å |
| 706 | S | 84.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -69.8 | 153.5 | -169.4 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | I611 I681 H682 F703 | I611-S706 VanDerWaalsContact CD1-C 3.46Å; I611-S706 VanDerWaalsContact CD1-O 3.24Å; I611-S706 WeakPolarHBondContact CD1-O 3.18Å; I681-S706 CarbonylContact O-C 3.57Å; I681-S706 WeakPolarHBondContact O-CA 3.42Å; I681-S706 WeakPolarHBondContact O-CB 3.18Å; H682-S706 WeakPolarHBondContact CA-OG 3.24Å; H682-S706 WeakPolarHBondContact O-CA 3.26Å; H682-S706 PolarHBondContact O-OG 2.96Å; F703-S706 WeakPolarHBondContact CA-OG 3.45Å; F703-S706 WeakPolarHBondContact CD1-OG 3.35Å; F703-S706 WeakPolarHBondContact O-CB 3.39Å; F703-S706 PolarHBondContact O-N 3.17Å; F703-S706 PolarHBondContact O-OG 3.02Å | ||
| 707 | R | 83.1 | Confident | 80.8 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.6 | -179.9 | -66.5 | -65.6 | 178.9 | -98 | 9.5 | 110.1 | C680 I681 E709 Y714 | C680-R707 WeakPolarHBondContact CA-O 3.29Å; I681-R707 PolarHBondContact N-O 3.23Å; I681-R707 PolarHBondContact O-N 2.89Å; R707-E709 HydrophobicContact CB-CG 4.47Å; R707-Y714 HydrophobicContact CB-CD2 4.26Å; R707-Y714 HydrophobicContact CB-CG 4.34Å; R707-Y714 HydrophobicContact CG-CD1 4.35Å; R707-Y714 HydrophobicContact CG-CD2 3.95Å; R707-Y714 HydrophobicContact CG-CE1 4.38Å; R707-Y714 HydrophobicContact CG-CE2 4Å; R707-Y714 HydrophobicContact CG-CG 4.12Å |
| 708 | Q | 80.1 | Confident | 78.8 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.1 | 174.3 | -173.9 | 174.2 | 21.3 | 0 | 0 | 106.9 | K678 N679 | K678-Q708 PolarHBondContact O-NE2 2.66Å; K678-Q708 VanDerWaalsContact O-NE2 3.17Å; N679-Q708 WeakPolarHBondContact O-CA 3.49Å |
| 709 | E | 78.8 | Confident | 76.7 | Confident | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | trans | -129.4 | 124.8 | -175 | -60.5 | -60.1 | 155 | 0 | 0 | 109.1 | N679 I681 R707 D711 G712 Y714 | N679-E709 WeakPolarHBondContact CB-O 3.43Å; N679-E709 PolarHBondContact O-N 2.69Å; I681-E709 HydrophobicContact CD1-CG 4.38Å; R707-E709 HydrophobicContact CB-CG 4.47Å; E709-D711 VanDerWaalsContact C-N 3.28Å; E709-D711 PolarHBondContact O-N 2.85Å; E709-G712 PolarHBondContact O-N 3.48Å; E709-G712 VanDerWaalsContact O-N 3.09Å; E709-Y714 HydrophobicContact CG-CD2 4.33Å; E709-Y714 VanDerWaalsContact OE1-CD2 3.27Å; E709-Y714 WeakPolarHBondContact OE1-CD2 3.28Å | ||
| 710 | D | 73.4 | Confident | 74.6 | Confident | 151 Ų | 151 | 56.5 Ų | 56.5 | 81% | 0.807 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28.6 | -174.9 | -70.9 | -32.8 | 0 | 0 | 0 | 112.9 | G712 | D710-G712 VanDerWaalsContact C-N 3.34Š|
| 711 | D | 73.4 | Confident | 73 | Confident | 123 Ų | 123 | 62.7 Ų | 62.7 | 66% | 0.658 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -2.2 | 175 | 69.4 | -5 | 0 | 0 | 0 | 113.3 | E709 V713 | E709-D711 VanDerWaalsContact C-N 3.28Å; E709-D711 PolarHBondContact O-N 2.85Å; D711-V713 VanDerWaalsContact C-N 3.28Å; D711-V713 PolarHBondContact O-N 3.27Å; D711-V713 PolarHBondContact OD1-N 2.75Å |
| 712 | G | 69 | Low | 72.4 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 73.8 | 8.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | E709 D710 | E709-G712 PolarHBondContact O-N 3.48Å; E709-G712 VanDerWaalsContact O-N 3.09Å; D710-G712 VanDerWaalsContact C-N 3.34Å |
| 713 | V | 71.1 | Confident | 72.6 | Confident | 43 Ų | 43 | 64 Ų | 64 | 26% | 0.261 | 36% | 0.358 | S | S | . | . | trans | -127.2 | 118.8 | -177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | D711 R736 T738 | D711-V713 VanDerWaalsContact C-N 3.28Å; D711-V713 PolarHBondContact O-N 3.27Å; D711-V713 PolarHBondContact OD1-N 2.75Å; V713-R736 HydrophobicContact CG1-CG 3.85Å; V713-T738 HydrophobicContact CB-CG2 4.38Å; V713-T738 HydrophobicContact CG1-CG2 4.2Å; V713-T738 HydrophobicContact CG2-CG2 3.99Å | ||
| 714 | Y | 75.3 | Confident | 72.9 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123 | 172.2 | -179.3 | -104.7 | 0 | 0 | 0 | 111.9 | R683 R707 E709 Y737 | R683-Y714 VanDerWaalsContact CZ-CD1 3.49Å; R707-Y714 HydrophobicContact CB-CD2 4.26Å; R707-Y714 HydrophobicContact CB-CG 4.34Å; R707-Y714 HydrophobicContact CG-CD1 4.35Å; R707-Y714 HydrophobicContact CG-CD2 3.95Å; R707-Y714 HydrophobicContact CG-CE1 4.38Å; R707-Y714 HydrophobicContact CG-CE2 4Å; R707-Y714 HydrophobicContact CG-CG 4.12Å; E709-Y714 HydrophobicContact CG-CD2 4.33Å; E709-Y714 VanDerWaalsContact OE1-CD2 3.27Å; E709-Y714 WeakPolarHBondContact OE1-CD2 3.28Å; Y714-Y737 HydrophobicContact CD1-CD2 4.11Å; Y714-Y737 PolarHBondContact N-O 2.96Å; Y714-Y737 PolarHBondContact O-N 3.49Å |
| 715 | S | 72.6 | Confident | 73.7 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.4 | 174.1 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 716 | S | 68.2 | Low | 74.5 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 121.9 | -173.8 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | G735 | S716-G735 PolarHBondContact N-O 3.21Š|
| 717 | S | 50.3 | Low | 75.1 | Confident | 135 Ų | 135 | 67.8 Ų | 67.8 | 94% | 0.944 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -91.4 | 4.4 | -179 | 54.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 718 | G | 54.4 | Low | 75.7 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | trans | 158.7 | 82.2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 719 | L | 53.5 | Low | 76.4 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | trans | -91.5 | 121.6 | 170.5 | -81.7 | 170.2 | 0 | 0 | 0 | 111.5 | M705 Q721 I722 | M705-L719 HydrophobicContact CE-CD1 3.93Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 3.45Å; L719-I722 HydrophobicContact CB-CD1 4.13Å; L719-I722 HydrophobicContact CB-CG1 3.68Å | ||
| 720 | K | 53.7 | Low | 77.2 | Confident | 212 Ų | 212 | 60.5 Ų | 60.5 | 92% | 0.922 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -76.4 | -5.4 | 178.9 | -75.2 | -175.5 | 176.1 | 177 | 0 | 114.9 | ||
| 721 | Q | 64.5 | Low | 78 | Confident | 131 Ų | 131 | 53.4 Ų | 53.4 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | trans | -144.5 | 81.8 | 178.6 | -69 | -177.4 | -3.7 | 0 | 0 | 109.9 | N573 L719 | N573-Q721 PolarHBondContact OD1-OE1 3.49Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 3.45Å | ||
| 722 | I | 82.1 | Confident | 78.8 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | trans | -95.2 | 133.4 | 175.7 | -59.1 | 171.6 | 0 | 0 | 0 | 108 | L719 I724 T727 L732 | L719-I722 HydrophobicContact CB-CD1 4.13Å; L719-I722 HydrophobicContact CB-CG1 3.68Å; I722-I724 PolarHBondContact O-N 2.94Å; I722-T727 HydrophobicContact CG2-CG2 4.05Å; I722-T727 WeakPolarHBondContact CG2-OG1 3.38Å; I722-L732 HydrophobicContact CG2-CD2 3.7Å | ||
| 723 | P | 90.3 | Very high | 79.6 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 10% | 0.104 | 28% | 0.283 | C | S | . | . | trans | -74.5 | 69.7 | 176.8 | 33.6 | -38.3 | 0 | 0 | 0 | 111 | D684 R688 K725 W726 T727 | D684-P723 HydrophobicContact CB-CG 4.5Å; D684-P723 WeakPolarHBondContact OD1-CB 3.48Å; D684-P723 WeakPolarHBondContact OD1-CG 3.44Å; R688-P723 VanDerWaalsContact NH2-CB 3.33Å; P723-K725 VanDerWaalsContact C-N 3.26Å; P723-K725 PolarHBondContact O-N 2.87Å; P723-W726 HydrophobicContact CB-CB 4.42Å; P723-W726 HydrophobicContact CB-CE3 4.41Å; P723-W726 WeakPolarHBondContact O-CA 3.43Å; P723-W726 PolarHBondContact O-N 3.17Å; P723-T727 PolarHBondContact O-N 3.41Å; P723-T727 PolarHBondContact O-OG1 3.19Å; P723-T727 VanDerWaalsContact O-OG1 3.06Å | ||
| 724 | I | 93.1 | Very high | 80.2 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -44.4 | -165.1 | -67 | 167.7 | 0 | 0 | 0 | 114.1 | I722 W726 T727 L732 N766 R770 | I722-I724 PolarHBondContact O-N 2.94Å; I724-W726 VanDerWaalsContact C-N 3.26Å; I724-W726 PolarHBondContact O-N 3.32Å; I724-T727 PolarHBondContact O-N 3.08Å; I724-L732 HydrophobicContact CG1-CD2 4.26Å; I724-L732 HydrophobicContact CG2-CD1 4.19Å; I724-N766 HydrophobicContact CB-CB 3.99Å; I724-N766 HydrophobicContact CD1-CB 3.68Å; I724-N766 HydrophobicContact CG1-CB 4.41Å; I724-N766 HydrophobicContact CG2-CB 3.94Å; I724-R770 HydrophobicContact CG2-CB 4.46Å |
| 725 | K | 96.4 | Very high | 80.8 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -14.5 | -178.1 | -68.3 | -179.9 | 169.5 | -159.5 | 0 | 114.6 | P723 P760 Y761 M764 A769 | P723-K725 VanDerWaalsContact C-N 3.26Å; P723-K725 PolarHBondContact O-N 2.87Å; K725-P760 HydrophobicContact CB-CB 4.44Å; K725-P760 WeakPolarHBondContact CD-O 3.3Å; K725-P760 PolarHBondContact NZ-O 3.47Å; K725-Y761 HydrophobicContact CB-CD2 3.91Å; K725-Y761 HydrophobicContact CB-CE2 4.15Å; K725-Y761 HydrophobicContact CD-CD2 4.21Å; K725-Y761 HydrophobicContact CG-CD2 3.93Å; K725-Y761 PolarHBondContact NZ-O 3.35Å; K725-Y761 WeakPolarHBondContact O-CE2 3.38Å; K725-M764 WeakPolarHBondContact CE-O 3.31Å; K725-M764 PolarHBondContact NZ-O 3.45Å; K725-A769 HydrophobicContact CG-CB 4.22Å |
| 726 | W | 97.6 | Very high | 81.6 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 11% | 0.106 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -14.3 | 176.7 | -71.5 | -102 | 0 | 0 | 0 | 112.3 | A686 P723 I724 S745 I748 E752 P760 | A686-W726 HydrophobicContact CB-CD2 4.31Å; A686-W726 HydrophobicContact CB-CG 4.11Å; P723-W726 HydrophobicContact CB-CB 4.42Å; P723-W726 HydrophobicContact CB-CE3 4.41Å; P723-W726 WeakPolarHBondContact O-CA 3.43Å; P723-W726 PolarHBondContact O-N 3.17Å; I724-W726 VanDerWaalsContact C-N 3.26Å; I724-W726 PolarHBondContact O-N 3.32Å; W726-S745 WeakPolarHBondContact O-CA 3.46Å; W726-S745 WeakPolarHBondContact O-CB 3.29Å; W726-S745 PolarHBondContact O-OG 3.07Å; W726-I748 VanDerWaalsContact CD1-CG2 3.41Å; W726-I748 HydrophobicContact CD2-CG2 4.28Å; W726-I748 HydrophobicContact CG-CB 4.44Å; W726-I748 HydrophobicContact CG-CG2 3.93Å; W726-E752 WeakPolarHBondContact CZ2-OE1 3.37Å; W726-E752 VanDerWaalsContact NE1-CD 3.35Å; W726-E752 PolarHBondContact NE1-OE2 3.41Å; W726-P760 HydrophobicContact CH2-CG 4.02Å; W726-P760 HydrophobicContact CZ2-CG 3.53Å |
| 727 | T | 96.1 | Very high | 82.8 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -88.7 | 137.3 | -173.3 | -49.4 | 0 | 0 | 0 | 0 | 111.5 | I722 P723 I724 A731 L732 Y737 | I722-T727 HydrophobicContact CG2-CG2 4.05Å; I722-T727 WeakPolarHBondContact CG2-OG1 3.38Å; P723-T727 PolarHBondContact O-N 3.41Å; P723-T727 PolarHBondContact O-OG1 3.19Å; P723-T727 VanDerWaalsContact O-OG1 3.06Å; I724-T727 PolarHBondContact O-N 3.08Å; T727-A731 HydrophobicContact CG2-CB 3.62Å; T727-L732 HydrophobicContact CG2-CD2 3.85Å; T727-L732 HydrophobicContact CG2-CG 3.76Å; T727-Y737 HydrophobicContact CG2-CE1 4.01Å |
| 728 | A | 96.7 | Very high | 84.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | trans | -65.1 | 152.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E730 A731 L732 W744 | A728-E730 VanDerWaalsContact CB-CD 3.47Å; A728-E730 WeakPolarHBondContact CB-OE1 3.47Å; A728-E730 WeakPolarHBondContact CB-OE2 3.5Å; A728-E730 PolarHBondContact O-N 3.46Å; A728-A731 PolarHBondContact O-N 3.19Å; A728-L732 PolarHBondContact O-N 2.95Å; A728-W744 HydrophobicContact CB-CB 3.68Å; A728-W744 HydrophobicContact CB-CD2 4.09Å; A728-W744 HydrophobicContact CB-CE3 4.45Å; A728-W744 HydrophobicContact CB-CG 3.74Å | ||
| 729 | P | 95 | Very high | 86.9 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | -176 | 22.9 | -32.8 | 0 | 0 | 0 | 113 | A731 L732 N733 W744 Y799 | P729-A731 VanDerWaalsContact C-N 3.31Å; P729-A731 PolarHBondContact O-N 2.94Å; P729-L732 PolarHBondContact O-N 3.43Å; P729-N733 VanDerWaalsContact O-CB 3.28Å; P729-N733 WeakPolarHBondContact O-CB 3.36Å; P729-N733 PolarHBondContact O-N 3.05Å; P729-N733 PolarHBondContact O-ND2 2.79Å; P729-W744 HydrophobicContact CG-CH2 4.21Å; P729-W744 HydrophobicContact CG-CZ3 4.07Å; P729-Y799 HydrophobicContact CB-CD2 4.46Å; P729-Y799 HydrophobicContact CB-CE2 3.96Å; P729-Y799 HydrophobicContact CG-CD2 4.02Å; P729-Y799 HydrophobicContact CG-CE2 3.99Å |
| 730 | E | 94 | Very high | 89.1 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 178.1 | 72.7 | -72.5 | 176.4 | 0 | 0 | 112.9 | A728 Y734 G735 S741 P801 R804 | A728-E730 VanDerWaalsContact CB-CD 3.47Å; A728-E730 WeakPolarHBondContact CB-OE1 3.47Å; A728-E730 WeakPolarHBondContact CB-OE2 3.5Å; A728-E730 PolarHBondContact O-N 3.46Å; E730-Y734 HydrophobicContact CB-CD2 4.28Å; E730-Y734 WeakPolarHBondContact O-CB 3.11Å; E730-Y734 PolarHBondContact O-N 3.27Å; E730-G735 PolarHBondContact O-N 2.91Å; E730-S741 WeakPolarHBondContact OE1-CB 3.5Å; E730-P801 HydrophobicContact CB-CG 4.37Å; E730-P801 HydrophobicContact CG-CG 3.77Å; E730-R804 IonicContact OE1-CZ 2.93Å; E730-R804 IonicContact OE1-NH1 2.83Å; E730-R804 PolarHBondContact OE1-NH1 3.29Å; E730-R804 IonicContact OE1-NH2 3Å; E730-R804 PolarHBondContact OE1-NH2 2.93Å; E730-R804 IonicContact OE2-CZ 3.05Å; E730-R804 IonicContact OE2-NH1 2.72Å; E730-R804 IonicContact OE2-NH2 3.13Å; E730-R804 PolarHBondContact OE2-NH2 2.92Å |
| 731 | A | 91.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.7 | -31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T727 A728 P729 G735 R736 Y737 | T727-A731 HydrophobicContact CG2-CB 3.62Å; A728-A731 PolarHBondContact O-N 3.19Å; P729-A731 VanDerWaalsContact C-N 3.31Å; P729-A731 PolarHBondContact O-N 2.94Å; A731-G735 VanDerWaalsContact O-CA 3.24Å; A731-G735 WeakPolarHBondContact O-CA 3.29Å; A731-G735 PolarHBondContact O-N 3.43Å; A731-R736 VanDerWaalsContact CA-O 3.31Å; A731-R736 WeakPolarHBondContact CA-O 3.46Å; A731-R736 WeakPolarHBondContact CB-O 3.48Å; A731-Y737 HydrophobicContact CB-CD1 3.9Å; A731-Y737 HydrophobicContact CB-CD2 4.33Å; A731-Y737 HydrophobicContact CB-CE1 3.85Å; A731-Y737 HydrophobicContact CB-CE2 4.23Å; A731-Y737 HydrophobicContact CB-CG 4.15Å |
| 732 | L | 88.8 | Confident | 92.8 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -78.7 | -36.3 | 175 | -72.1 | 175.6 | 0 | 0 | 0 | 113.8 | I722 I724 T727 A728 P729 R770 | I722-L732 HydrophobicContact CG2-CD2 3.7Å; I724-L732 HydrophobicContact CG1-CD2 4.26Å; I724-L732 HydrophobicContact CG2-CD1 4.19Å; T727-L732 HydrophobicContact CG2-CD2 3.85Å; T727-L732 HydrophobicContact CG2-CG 3.76Å; A728-L732 PolarHBondContact O-N 2.95Å; P729-L732 PolarHBondContact O-N 3.43Å; L732-R770 HydrophobicContact CD1-CG 4.46Å; L732-R770 PolarHBondContact O-NH2 3.46Å |
| 733 | N | 86.1 | Confident | 93.5 | Very high | 48 Ų | 48 | 30.2 Ų | 30.2 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -86.5 | -40.8 | -174.6 | -67.2 | -19.1 | 0 | 0 | 0 | 111.9 | P729 R770 E774 | P729-N733 VanDerWaalsContact O-CB 3.28Å; P729-N733 WeakPolarHBondContact O-CB 3.36Å; P729-N733 PolarHBondContact O-N 3.05Å; P729-N733 PolarHBondContact O-ND2 2.79Å; N733-R770 PolarHBondContact OD1-NE 3.28Å; N733-R770 PolarHBondContact OD1-NH2 3.35Å; N733-E774 PolarHBondContact ND2-OE1 2.94Å |
| 734 | Y | 84.3 | Confident | 93.9 | Very high | 173 Ų | 173 | 29.5 Ų | 29.5 | 68% | 0.678 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -120.3 | 0.2 | -171.2 | -46.4 | -65.2 | 0 | 0 | 0 | 113 | E730 R736 | E730-Y734 HydrophobicContact CB-CD2 4.28Å; E730-Y734 WeakPolarHBondContact O-CB 3.11Å; E730-Y734 PolarHBondContact O-N 3.27Å; Y734-R736 PolarHBondContact O-N 3.37Å |
| 735 | G | 86.8 | Confident | 94.2 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | trans | 67.7 | 15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | S716 E730 A731 Y737 | S716-G735 PolarHBondContact N-O 3.21Å; E730-G735 PolarHBondContact O-N 2.91Å; A731-G735 VanDerWaalsContact O-CA 3.24Å; A731-G735 WeakPolarHBondContact O-CA 3.29Å; A731-G735 PolarHBondContact O-N 3.43Å; G735-Y737 WeakPolarHBondContact O-CD2 3.37Å | ||
| 736 | R | 90.6 | Very high | 94.3 | Very high | 133 Ų | 133 | 26.4 Ų | 26.4 | 50% | 0.502 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 102.4 | -176.6 | -173.4 | -179.5 | 179.1 | -172 | -1.5 | 110.7 | V713 A731 Y734 T738 | V713-R736 HydrophobicContact CG1-CG 3.85Å; A731-R736 VanDerWaalsContact CA-O 3.31Å; A731-R736 WeakPolarHBondContact CA-O 3.46Å; A731-R736 WeakPolarHBondContact CB-O 3.48Å; Y734-R736 PolarHBondContact O-N 3.37Å; R736-T738 HydrophobicContact CG-CG2 4.34Å |
| 737 | Y | 92.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.8 | 176.2 | -67 | -98.2 | 0 | 0 | 0 | 110.1 | I681 R683 Y714 T727 A731 G735 | I681-Y737 WeakPolarHBondContact CD1-O 3.44Å; R683-Y737 HydrophobicContact CB-CD1 3.96Å; R683-Y737 HydrophobicContact CB-CE1 4.19Å; R683-Y737 HydrophobicContact CG-CD1 3.67Å; R683-Y737 HydrophobicContact CG-CE1 4.36Å; R683-Y737 HydrophobicContact CG-CG 4.12Å; R683-Y737 VanDerWaalsContact NH2-CE2 3.28Å; Y714-Y737 HydrophobicContact CD1-CD2 4.11Å; Y714-Y737 PolarHBondContact N-O 2.96Å; Y714-Y737 PolarHBondContact O-N 3.49Å; T727-Y737 HydrophobicContact CG2-CE1 4.01Å; A731-Y737 HydrophobicContact CB-CD1 3.9Å; A731-Y737 HydrophobicContact CB-CD2 4.33Å; A731-Y737 HydrophobicContact CB-CE1 3.85Å; A731-Y737 HydrophobicContact CB-CE2 4.23Å; A731-Y737 HydrophobicContact CB-CG 4.15Å; G735-Y737 WeakPolarHBondContact O-CD2 3.37Å |
| 738 | T | 95.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | trans | -149.2 | 174.2 | 179.5 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | V713 R736 E740 S741 D742 | V713-T738 HydrophobicContact CB-CG2 4.38Å; V713-T738 HydrophobicContact CG1-CG2 4.2Å; V713-T738 HydrophobicContact CG2-CG2 3.99Å; R736-T738 HydrophobicContact CG-CG2 4.34Å; T738-E740 WeakPolarHBondContact CB-OE2 3.34Å; T738-E740 PolarHBondContact O-N 3.32Å; T738-E740 PolarHBondContact OG1-N 2.95Å; T738-E740 PolarHBondContact OG1-OE2 3.22Å; T738-S741 PolarHBondContact N-OG 3.46Å; T738-S741 WeakPolarHBondContact O-CB 3.35Å; T738-S741 PolarHBondContact O-N 3.31Å; T738-S741 PolarHBondContact O-OG 2.69Å; T738-S741 PolarHBondContact OG1-N 3.4Å; T738-D742 PolarHBondContact O-N 2.99Å | ||
| 739 | S | 96.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 24.9 Ų | 24.9 | 12% | 0.119 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.1 | -37.8 | 171.8 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | S741 D742 V743 | S739-S741 VanDerWaalsContact C-N 3.28Å; S739-S741 PolarHBondContact O-N 2.87Å; S739-D742 WeakPolarHBondContact O-CB 3.47Å; S739-D742 PolarHBondContact O-N 3.29Å; S739-D742 VanDerWaalsContact O-N 3.09Å; S739-V743 WeakPolarHBondContact O-CG2 3.44Å; S739-V743 PolarHBondContact O-N 3.17Å |
| 740 | E | 98 | Very high | 94.7 | Very high | 65 Ų | 65 | 24.8 Ų | 24.8 | 30% | 0.304 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66.3 | -29.6 | 176.6 | -57.5 | 78.7 | -173.9 | 0 | 0 | 112.3 | T738 V743 W744 P801 R804 | T738-E740 WeakPolarHBondContact CB-OE2 3.34Å; T738-E740 PolarHBondContact O-N 3.32Å; T738-E740 PolarHBondContact OG1-N 2.95Å; T738-E740 PolarHBondContact OG1-OE2 3.22Å; E740-V743 WeakPolarHBondContact O-CB 3.44Å; E740-V743 PolarHBondContact O-N 3.07Å; E740-W744 PolarHBondContact O-N 3.01Å; E740-P801 HydrophobicContact CB-CB 3.87Å; E740-P801 HydrophobicContact CG-CB 4.39Å; E740-R804 WeakPolarHBondContact O-CD 3.34Å; E740-R804 PolarHBondContact O-NH1 3.24Å |
| 741 | S | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.3 | -33.6 | 172.2 | 78.5 | 0 | 0 | 0 | 0 | 111.8 | E730 T738 S739 W744 S745 | E730-S741 WeakPolarHBondContact OE1-CB 3.5Å; T738-S741 PolarHBondContact N-OG 3.46Å; T738-S741 WeakPolarHBondContact O-CB 3.35Å; T738-S741 PolarHBondContact O-N 3.31Å; T738-S741 PolarHBondContact O-OG 2.69Å; T738-S741 PolarHBondContact OG1-N 3.4Å; S739-S741 VanDerWaalsContact C-N 3.28Å; S739-S741 PolarHBondContact O-N 2.87Å; S741-W744 WeakPolarHBondContact O-CB 3.26Å; S741-W744 PolarHBondContact O-N 3.33Å; S741-S745 PolarHBondContact O-N 3.33Å; S741-S745 PolarHBondContact O-OG 2.93Å |
| 742 | D | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72.3 | -30 | 171.9 | -77.3 | -30.2 | 0 | 0 | 0 | 112 | M672 I681 H682 R683 T738 S739 W744 S745 F746 F807 | M672-D742 HydrophobicContact CE-CB 3.65Å; I681-D742 WeakPolarHBondContact CA-OD2 3.47Å; H682-D742 PolarHBondContact N-OD2 2.96Å; R683-D742 WeakPolarHBondContact CA-OD1 3.42Å; R683-D742 PolarHBondContact N-OD1 3.44Å; T738-D742 PolarHBondContact O-N 2.99Å; S739-D742 WeakPolarHBondContact O-CB 3.47Å; S739-D742 PolarHBondContact O-N 3.29Å; S739-D742 VanDerWaalsContact O-N 3.09Å; D742-W744 VanDerWaalsContact C-N 3.26Å; D742-W744 PolarHBondContact O-N 2.98Å; D742-S745 CarbonylContact O-C 3.59Å; D742-S745 WeakPolarHBondContact O-CB 3.48Å; D742-S745 PolarHBondContact O-N 3Å; D742-S745 VanDerWaalsContact O-N 3.15Å; D742-F746 PolarHBondContact O-N 3.32Å; D742-F807 HydrophobicContact CB-CE2 4.03Å; D742-F807 HydrophobicContact CB-CZ 4.08Å |
| 743 | V | 98.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 172 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | S739 E740 F746 G747 C796 R804 P805 F807 I810 | S739-V743 WeakPolarHBondContact O-CG2 3.44Å; S739-V743 PolarHBondContact O-N 3.17Å; E740-V743 WeakPolarHBondContact O-CB 3.44Å; E740-V743 PolarHBondContact O-N 3.07Å; V743-F746 WeakPolarHBondContact O-CB 3.43Å; V743-F746 PolarHBondContact O-N 2.84Å; V743-G747 PolarHBondContact O-N 3.13Å; V743-C796 HydrophobicContact CG1-CB 4Å; V743-C796 WeakPolarHBondContact O-CB 3.49Å; V743-R804 HydrophobicContact CB-CB 4.49Å; V743-R804 HydrophobicContact CG1-CB 3.96Å; V743-P805 HydrophobicContact CG1-CG 4.47Å; V743-P805 WeakPolarHBondContact CG2-O 3.41Å; V743-F807 HydrophobicContact CB-CZ 4.4Å; V743-F807 HydrophobicContact CG2-CD2 3.95Å; V743-F807 HydrophobicContact CG2-CE1 4.26Å; V743-F807 HydrophobicContact CG2-CE2 3.62Å; V743-F807 HydrophobicContact CG2-CG 4.4Å; V743-F807 HydrophobicContact CG2-CZ 3.8Å; V743-I810 HydrophobicContact CG1-CD1 4.03Å |
| 744 | W | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 171.8 | -179.5 | -75.2 | 0 | 0 | 0 | 111.6 | A728 P729 E740 S741 D742 F746 G747 I748 V773 C796 W797 | A728-W744 HydrophobicContact CB-CB 3.68Å; A728-W744 HydrophobicContact CB-CD2 4.09Å; A728-W744 HydrophobicContact CB-CE3 4.45Å; A728-W744 HydrophobicContact CB-CG 3.74Å; P729-W744 HydrophobicContact CG-CH2 4.21Å; P729-W744 HydrophobicContact CG-CZ3 4.07Å; E740-W744 PolarHBondContact O-N 3.01Å; S741-W744 WeakPolarHBondContact O-CB 3.26Å; S741-W744 PolarHBondContact O-N 3.33Å; D742-W744 VanDerWaalsContact C-N 3.26Å; D742-W744 PolarHBondContact O-N 2.98Å; W744-F746 PolarHBondContact O-N 3.24Å; W744-G747 WeakPolarHBondContact O-CA 3.33Å; W744-G747 PolarHBondContact O-N 3.38Å; W744-I748 PolarHBondContact O-N 2.89Å; W744-I748 VanDerWaalsContact O-N 3.14Å; W744-V773 HydrophobicContact CH2-CG1 3.6Å; W744-V773 HydrophobicContact CZ2-CG1 3.67Å; W744-V773 HydrophobicContact CZ2-CG2 4.31Å; W744-C796 WeakPolarHBondContact CA-O 3.43Å; W744-W797 AromaticContact CD2-CD1 3.85Å; W744-W797 AromaticContact CE2-CD1 3.95Å; W744-W797 HydrophobicContact CE3-CB 4.18Å; W744-W797 HydrophobicContact CH2-CB 4.21Å; W744-W797 HydrophobicContact CZ3-CB 4Å; W744-W797 VanDerWaalsContact CZ3-O 3.31Å; W744-W797 WeakPolarHBondContact CZ3-O 3.35Å; W744-W797 PolarHBondContact O-NE1 3.28Å |
| 745 | S | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.4 | -36.4 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | W726 S741 D742 I748 L749 | W726-S745 WeakPolarHBondContact O-CA 3.46Å; W726-S745 WeakPolarHBondContact O-CB 3.29Å; W726-S745 PolarHBondContact O-OG 3.07Å; S741-S745 PolarHBondContact O-N 3.33Å; S741-S745 PolarHBondContact O-OG 2.93Å; D742-S745 CarbonylContact O-C 3.59Å; D742-S745 WeakPolarHBondContact O-CB 3.48Å; D742-S745 PolarHBondContact O-N 3Å; D742-S745 VanDerWaalsContact O-N 3.15Å; S745-I748 WeakPolarHBondContact O-CB 3.45Å; S745-I748 PolarHBondContact O-N 3.29Å; S745-I748 VanDerWaalsContact O-N 3.17Å; S745-L749 PolarHBondContact O-N 3.43Å |
| 746 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 173.9 | -175.9 | -94.1 | 0 | 0 | 0 | 112.2 | A668 A669 L685 D742 V743 W744 I748 L749 L750 F807 I810 L814 | A668-F746 HydrophobicContact CB-CE2 3.85Å; A669-F746 HydrophobicContact CB-CE2 3.97Å; A669-F746 HydrophobicContact CB-CZ 3.74Å; L685-F746 HydrophobicContact CD2-CB 3.89Å; L685-F746 HydrophobicContact CD2-CD2 4.13Å; D742-F746 PolarHBondContact O-N 3.32Å; V743-F746 WeakPolarHBondContact O-CB 3.43Å; V743-F746 PolarHBondContact O-N 2.84Å; W744-F746 PolarHBondContact O-N 3.24Å; F746-I748 VanDerWaalsContact C-N 3.27Å; F746-I748 PolarHBondContact O-N 3.38Å; F746-L749 HydrophobicContact CD2-CD2 4.25Å; F746-L749 HydrophobicContact CE2-CD2 4.49Å; F746-L749 WeakPolarHBondContact O-CB 3.36Å; F746-L749 PolarHBondContact O-N 3.09Å; F746-L749 VanDerWaalsContact O-N 3.16Å; F746-L750 HydrophobicContact CD1-CD1 4.04Å; F746-L750 HydrophobicContact CD1-CG 4.02Å; F746-L750 HydrophobicContact CE1-CD1 3.63Å; F746-L750 HydrophobicContact CE1-CD2 3.81Å; F746-L750 HydrophobicContact CE1-CG 3.6Å; F746-L750 HydrophobicContact CZ-CD2 3.87Å; F746-L750 HydrophobicContact CZ-CG 4.11Å; F746-L750 WeakPolarHBondContact O-CG 3.31Å; F746-L750 PolarHBondContact O-N 3.22Å; F746-F807 HydrophobicContact CB-CE1 3.61Å; F746-F807 HydrophobicContact CB-CZ 4.02Å; F746-F807 HydrophobicContact CD1-CE1 4.34Å; F746-F807 AromaticContact CD2-CE1 3.84Å; F746-F807 HydrophobicContact CD2-CE1 3.84Å; F746-F807 AromaticContact CG-CE1 3.67Å; F746-F807 HydrophobicContact CG-CE1 3.67Å; F746-I810 HydrophobicContact CD1-CD1 4.22Å; F746-I810 HydrophobicContact CD1-CG2 4.19Å; F746-I810 HydrophobicContact CE1-CG2 3.46Å; F746-I810 VanDerWaalsContact CE1-CG2 3.46Å; F746-I810 HydrophobicContact CZ-CG2 4.03Å; F746-L814 HydrophobicContact CE1-CD1 4.32Å; F746-L814 HydrophobicContact CZ-CD1 3.94Å |
| 747 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.3 | -41.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V743 W744 L750 W751 W797 | V743-G747 PolarHBondContact O-N 3.13Å; W744-G747 WeakPolarHBondContact O-CA 3.33Å; W744-G747 PolarHBondContact O-N 3.38Å; G747-L750 WeakPolarHBondContact O-CB 3.36Å; G747-L750 PolarHBondContact O-N 2.91Å; G747-W751 PolarHBondContact O-N 3.16Å; G747-W797 VanDerWaalsContact C-CZ2 3.44Å; G747-W797 VanDerWaalsContact C-NE1 3.33Å; G747-W797 WeakPolarHBondContact O-CZ2 3.48Å |
| 748 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 174.8 | -54.3 | -66.8 | 0 | 0 | 0 | 111.1 | W726 W744 S745 F746 L750 W751 E752 P760 Y761 M779 W797 | W726-I748 VanDerWaalsContact CD1-CG2 3.41Å; W726-I748 HydrophobicContact CD2-CG2 4.28Å; W726-I748 HydrophobicContact CG-CB 4.44Å; W726-I748 HydrophobicContact CG-CG2 3.93Å; W744-I748 PolarHBondContact O-N 2.89Å; W744-I748 VanDerWaalsContact O-N 3.14Å; S745-I748 WeakPolarHBondContact O-CB 3.45Å; S745-I748 PolarHBondContact O-N 3.29Å; S745-I748 VanDerWaalsContact O-N 3.17Å; F746-I748 VanDerWaalsContact C-N 3.27Å; F746-I748 PolarHBondContact O-N 3.38Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 3.49Å; I748-W751 CarbonylContact O-C 3.5Å; I748-W751 WeakPolarHBondContact O-CA 3.44Å; I748-W751 WeakPolarHBondContact O-CB 3.44Å; I748-W751 PolarHBondContact O-N 3.15Å; I748-W751 VanDerWaalsContact O-N 3.08Å; I748-E752 WeakPolarHBondContact O-CG 3.36Å; I748-E752 PolarHBondContact O-N 3.25Å; I748-P760 HydrophobicContact CG2-CB 3.95Å; I748-P760 HydrophobicContact CG2-CG 3.59Å; I748-Y761 HydrophobicContact CD1-CE2 4.01Å; I748-M779 HydrophobicContact CD1-CE 3.44Å; I748-M779 VanDerWaalsContact CD1-CE 3.44Å; I748-W797 HydrophobicContact CD1-CZ2 3.78Å; I748-W797 VanDerWaalsContact CD1-NE1 3.34Å |
| 749 | L | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 175.1 | 173.4 | 63.5 | 0 | 0 | 0 | 112.3 | F645 A668 L685 A687 S745 F746 W751 E752 T753 | F645-L749 HydrophobicContact CD1-CD1 4.24Å; F645-L749 HydrophobicContact CE1-CD1 4.29Å; A668-L749 HydrophobicContact CB-CD2 3.88Å; L685-L749 HydrophobicContact CD1-CD2 4.12Å; L685-L749 HydrophobicContact CD2-CD2 4.37Å; L685-L749 HydrophobicContact CG-CD2 4.18Å; A687-L749 HydrophobicContact CB-CD1 3.85Å; S745-L749 PolarHBondContact O-N 3.43Å; F746-L749 HydrophobicContact CD2-CD2 4.25Å; F746-L749 HydrophobicContact CE2-CD2 4.49Å; F746-L749 WeakPolarHBondContact O-CB 3.36Å; F746-L749 PolarHBondContact O-N 3.09Å; F746-L749 VanDerWaalsContact O-N 3.16Å; L749-W751 VanDerWaalsContact C-N 3.33Å; L749-E752 PolarHBondContact O-N 3.41Å; L749-T753 WeakPolarHBondContact O-CB 3.49Å; L749-T753 PolarHBondContact O-N 3.45Å; L749-T753 PolarHBondContact O-OG1 3.47Å |
| 750 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 171.8 | -71.5 | -178.9 | 0 | 0 | 0 | 110.2 | S665 F746 G747 I748 E752 T753 F754 I792 M793 | S665-L750 VanDerWaalsContact CB-CD2 3.49Å; S665-L750 WeakPolarHBondContact OG-CD2 3.42Å; F746-L750 HydrophobicContact CD1-CD1 4.04Å; F746-L750 HydrophobicContact CD1-CG 4.02Å; F746-L750 HydrophobicContact CE1-CD1 3.63Å; F746-L750 HydrophobicContact CE1-CD2 3.81Å; F746-L750 HydrophobicContact CE1-CG 3.6Å; F746-L750 HydrophobicContact CZ-CD2 3.87Å; F746-L750 HydrophobicContact CZ-CG 4.11Å; F746-L750 WeakPolarHBondContact O-CG 3.31Å; F746-L750 PolarHBondContact O-N 3.22Å; G747-L750 WeakPolarHBondContact O-CB 3.36Å; G747-L750 PolarHBondContact O-N 2.91Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 3.49Å; L750-E752 PolarHBondContact O-N 2.92Å; L750-T753 WeakPolarHBondContact O-CB 3.36Å; L750-T753 PolarHBondContact O-N 3.07Å; L750-T753 VanDerWaalsContact O-N 3.12Å; L750-F754 HydrophobicContact CD2-CE2 4.43Å; L750-F754 VanDerWaalsContact O-CD2 3.29Å; L750-F754 WeakPolarHBondContact O-CD2 3.38Å; L750-F754 PolarHBondContact O-N 3.49Å; L750-I792 HydrophobicContact CD1-CB 4.39Å; L750-I792 HydrophobicContact CD1-CG2 3.81Å; L750-M793 HydrophobicContact CB-CE 3.82Å; L750-M793 HydrophobicContact CB-CG 3.78Å; L750-M793 HydrophobicContact CB-SD 4.15Å; L750-M793 HydrophobicContact CD1-CG 3.91Å |
| 751 | W | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 12 Ų | 12 | 6% | 0.061 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 177.3 | -167.1 | 94.3 | 0 | 0 | 0 | 112.4 | G747 I748 L749 T753 S755 V758 M779 S780 P782 M793 W797 | G747-W751 PolarHBondContact O-N 3.16Å; I748-W751 CarbonylContact O-C 3.5Å; I748-W751 WeakPolarHBondContact O-CA 3.44Å; I748-W751 WeakPolarHBondContact O-CB 3.44Å; I748-W751 PolarHBondContact O-N 3.15Å; I748-W751 VanDerWaalsContact O-N 3.08Å; L749-W751 VanDerWaalsContact C-N 3.33Å; W751-T753 VanDerWaalsContact C-N 3.31Å; W751-T753 PolarHBondContact O-N 3.14Å; W751-S755 WeakPolarHBondContact CZ3-OG 3.4Å; W751-S755 WeakPolarHBondContact O-CB 3.27Å; W751-S755 PolarHBondContact O-N 2.99Å; W751-S755 PolarHBondContact O-OG 3.23Å; W751-V758 HydrophobicContact CH2-CB 3.99Å; W751-V758 HydrophobicContact CH2-CG1 3.77Å; W751-V758 HydrophobicContact CZ3-CB 3.93Å; W751-V758 HydrophobicContact CZ3-CG1 4.05Å; W751-M779 HydrophobicContact CB-CE 4.04Å; W751-M779 HydrophobicContact CD2-CE 3.87Å; W751-M779 HydrophobicContact CD2-SD 3.79Å; W751-M779 HydrophobicContact CE3-CE 4.3Å; W751-M779 HydrophobicContact CE3-SD 4.09Å; W751-M779 HydrophobicContact CG-CE 3.74Å; W751-M779 HydrophobicContact CG-SD 4.22Å; W751-M779 HydrophobicContact CH2-SD 4.42Å; W751-M779 HydrophobicContact CZ2-SD 4.14Å; W751-M779 HydrophobicContact CZ3-SD 4.39Å; W751-S780 PolarHBondContact NE1-O 3Å; W751-P782 HydrophobicContact CD2-CG 4.3Å; W751-P782 HydrophobicContact CG-CG 4.07Å; W751-M793 HydrophobicContact CB-SD 3.94Å; W751-M793 HydrophobicContact CG-SD 4.47Å; W751-W797 HydrophobicContact CB-CH2 3.93Å; W751-W797 HydrophobicContact CB-CZ2 3.96Å; W751-W797 AromaticContact CD1-CH2 3.79Å; W751-W797 HydrophobicContact CG-CH2 4.12Å |
| 752 | E | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 172.4 | -70 | -174.4 | 101.4 | 0 | 0 | 111.5 | A687 W726 I748 L749 L750 S755 L756 G757 P760 | A687-E752 HydrophobicContact CB-CB 4.08Å; A687-E752 HydrophobicContact CB-CG 4.49Å; A687-E752 PolarHBondContact N-OE2 3.44Å; W726-E752 WeakPolarHBondContact CZ2-OE1 3.37Å; W726-E752 VanDerWaalsContact NE1-CD 3.35Å; W726-E752 PolarHBondContact NE1-OE2 3.41Å; I748-E752 WeakPolarHBondContact O-CG 3.36Å; I748-E752 PolarHBondContact O-N 3.25Å; L749-E752 PolarHBondContact O-N 3.41Å; L750-E752 PolarHBondContact O-N 2.92Å; E752-S755 WeakPolarHBondContact CA-OG 3.41Å; E752-S755 PolarHBondContact O-OG 2.9Å; E752-L756 PolarHBondContact O-N 3.15Å; E752-L756 VanDerWaalsContact O-N 3.16Å; E752-G757 PolarHBondContact O-N 2.98Å; E752-P760 HydrophobicContact CG-CG 3.85Å |
| 753 | T | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | F645 L661 L749 L750 W751 L756 | F645-T753 HydrophobicContact CE1-CG2 4.36Å; F645-T753 WeakPolarHBondContact CE1-OG1 3.45Å; F645-T753 HydrophobicContact CZ-CG2 3.96Å; L661-T753 HydrophobicContact CB-CG2 3.94Å; L661-T753 HydrophobicContact CD2-CG2 3.97Å; L661-T753 HydrophobicContact CG-CG2 4.48Å; L749-T753 WeakPolarHBondContact O-CB 3.49Å; L749-T753 PolarHBondContact O-N 3.45Å; L749-T753 PolarHBondContact O-OG1 3.47Å; L750-T753 WeakPolarHBondContact O-CB 3.36Å; L750-T753 PolarHBondContact O-N 3.07Å; L750-T753 VanDerWaalsContact O-N 3.12Å; W751-T753 VanDerWaalsContact C-N 3.31Å; W751-T753 PolarHBondContact O-N 3.14Å; T753-L756 PolarHBondContact O-N 3.04Å |
| 754 | F | 97.7 | Very high | 96.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -83 | -15.6 | -175.7 | -72.8 | -89.3 | 0 | 0 | 0 | 113.6 | T658 L661 V662 L750 L756 P782 C785 P786 I789 M793 | T658-F754 HydrophobicContact CG2-CE1 4.3Å; L661-F754 HydrophobicContact CB-CD1 4.34Å; L661-F754 HydrophobicContact CB-CE1 3.9Å; L661-F754 HydrophobicContact CB-CZ 4.02Å; L661-F754 HydrophobicContact CD1-CD1 4.1Å; L661-F754 HydrophobicContact CD1-CE1 4.38Å; V662-F754 HydrophobicContact CG2-CE1 4.26Å; V662-F754 HydrophobicContact CG2-CZ 3.86Å; L750-F754 HydrophobicContact CD2-CE2 4.43Å; L750-F754 VanDerWaalsContact O-CD2 3.29Å; L750-F754 WeakPolarHBondContact O-CD2 3.38Å; L750-F754 PolarHBondContact O-N 3.49Å; F754-L756 VanDerWaalsContact C-N 3.31Å; F754-P782 HydrophobicContact CB-CB 4.22Å; F754-P782 HydrophobicContact CB-CG 4.11Å; F754-P782 WeakPolarHBondContact O-CB 3.43Å; F754-C785 HydrophobicContact CB-CB 4.14Å; F754-C785 HydrophobicContact CD1-CB 4.48Å; F754-P786 HydrophobicContact CE1-CG 4.38Å; F754-I789 HydrophobicContact CD2-CG2 3.7Å; F754-I789 HydrophobicContact CE1-CG1 4.24Å; F754-I789 HydrophobicContact CE1-CG2 4.3Å; F754-I789 HydrophobicContact CE2-CB 4.46Å; F754-I789 HydrophobicContact CE2-CD1 4.46Å; F754-I789 HydrophobicContact CE2-CG1 4.37Å; F754-I789 HydrophobicContact CE2-CG2 3.43Å; F754-I789 VanDerWaalsContact CE2-CG2 3.43Å; F754-I789 HydrophobicContact CG-CG2 4.29Å; F754-I789 HydrophobicContact CZ-CB 4.33Å; F754-I789 HydrophobicContact CZ-CD1 4.06Å; F754-I789 HydrophobicContact CZ-CG1 3.84Å; F754-I789 HydrophobicContact CZ-CG2 3.75Å; F754-M793 HydrophobicContact CB-CE 4.12Å; F754-M793 HydrophobicContact CD2-CE 3.84Å; F754-M793 HydrophobicContact CG-CE 4.21Å |
| 755 | S | 96.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.8 | 167.2 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | W751 E752 G757 V758 | W751-S755 WeakPolarHBondContact CZ3-OG 3.4Å; W751-S755 WeakPolarHBondContact O-CB 3.27Å; W751-S755 PolarHBondContact O-N 2.99Å; W751-S755 PolarHBondContact O-OG 3.23Å; E752-S755 WeakPolarHBondContact CA-OG 3.41Å; E752-S755 PolarHBondContact O-OG 2.9Å; S755-G757 VanDerWaalsContact C-N 3.33Å; S755-G757 PolarHBondContact O-N 2.77Å; S755-V758 WeakPolarHBondContact O-CG2 3.44Å; S755-V758 PolarHBondContact OG-N 2.94Å |
| 756 | L | 97 | Very high | 96.3 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 29% | 0.288 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 40.6 | -178.1 | -52.4 | 171.6 | 0 | 0 | 0 | 112.7 | K653 L656 L661 E752 T753 F754 | K653-L756 HydrophobicContact CB-CB 4.12Å; K653-L756 HydrophobicContact CB-CD1 3.97Å; L656-L756 HydrophobicContact CB-CD2 4.44Å; L656-L756 HydrophobicContact CD1-CD2 4.37Å; L661-L756 HydrophobicContact CD1-CD2 4Å; L661-L756 HydrophobicContact CD2-CD2 4.08Å; E752-L756 PolarHBondContact O-N 3.15Å; E752-L756 VanDerWaalsContact O-N 3.16Å; T753-L756 PolarHBondContact O-N 3.04Å; F754-L756 VanDerWaalsContact C-N 3.31Å |
| 757 | G | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 84.9 | 25.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R650 E752 S755 | R650-G757 VanDerWaalsContact CZ-O 3.28Å; R650-G757 PolarHBondContact NE-O 3.02Å; R650-G757 PolarHBondContact NH2-O 3.27Å; E752-G757 PolarHBondContact O-N 2.98Å; S755-G757 VanDerWaalsContact C-N 3.33Å; S755-G757 PolarHBondContact O-N 2.77Å |
| 758 | V | 95.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 39.6 Ų | 39.6 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 145.5 | 169.4 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | W751 S755 P760 | W751-V758 HydrophobicContact CH2-CB 3.99Å; W751-V758 HydrophobicContact CH2-CG1 3.77Å; W751-V758 HydrophobicContact CZ3-CB 3.93Å; W751-V758 HydrophobicContact CZ3-CG1 4.05Å; S755-V758 WeakPolarHBondContact O-CG2 3.44Å; S755-V758 PolarHBondContact OG-N 2.94Å; V758-P760 WeakPolarHBondContact O-CD 3.45Å |
| 759 | C | 94 | Very high | 95.2 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 43% | 0.426 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 127.1 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 110 | ||
| 760 | P | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -55.4 | 147.9 | 176.8 | -28.2 | 36.9 | 0 | 0 | 0 | 112.5 | K725 W726 I748 E752 V758 M779 | K725-P760 HydrophobicContact CB-CB 4.44Å; K725-P760 WeakPolarHBondContact CD-O 3.3Å; K725-P760 PolarHBondContact NZ-O 3.47Å; W726-P760 HydrophobicContact CH2-CG 4.02Å; W726-P760 HydrophobicContact CZ2-CG 3.53Å; I748-P760 HydrophobicContact CG2-CB 3.95Å; I748-P760 HydrophobicContact CG2-CG 3.59Å; E752-P760 HydrophobicContact CG-CG 3.85Å; V758-P760 WeakPolarHBondContact O-CD 3.45Å; P760-M779 HydrophobicContact CB-CE 4.15Å; P760-M779 HydrophobicContact CB-SD 4.01Å |
| 761 | Y | 96.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 51.2 | 63.7 | -175.7 | -50.7 | -89.8 | 0 | 0 | 0 | 111.1 | K725 I748 G763 M764 A769 V773 Y777 M779 | K725-Y761 HydrophobicContact CB-CD2 3.91Å; K725-Y761 HydrophobicContact CB-CE2 4.15Å; K725-Y761 HydrophobicContact CD-CD2 4.21Å; K725-Y761 HydrophobicContact CG-CD2 3.93Å; K725-Y761 PolarHBondContact NZ-O 3.35Å; K725-Y761 WeakPolarHBondContact O-CE2 3.38Å; I748-Y761 HydrophobicContact CD1-CE2 4.01Å; Y761-G763 PolarHBondContact O-N 3.24Å; Y761-M764 HydrophobicContact CD1-SD 4.34Å; Y761-M764 WeakPolarHBondContact O-CB 3.28Å; Y761-M764 PolarHBondContact O-N 3.1Å; Y761-M764 VanDerWaalsContact O-N 3.08Å; Y761-A769 HydrophobicContact CD1-CB 4.14Å; Y761-A769 HydrophobicContact CD2-CB 4.13Å; Y761-A769 HydrophobicContact CG-CB 3.79Å; Y761-V773 HydrophobicContact CE1-CG2 3.72Å; Y761-Y777 HydrophobicContact CD1-CD1 4.36Å; Y761-Y777 AromaticContact CD1-CE1 3.96Å; Y761-Y777 HydrophobicContact CD1-CE1 3.96Å; Y761-Y777 HydrophobicContact CE1-CD1 4.33Å; Y761-Y777 HydrophobicContact CE1-CE1 4.21Å; Y761-M779 HydrophobicContact CD1-CG 3.87Å; Y761-M779 HydrophobicContact CD1-SD 4.27Å; Y761-M779 HydrophobicContact CD2-SD 4.13Å; Y761-M779 HydrophobicContact CE1-CG 3.86Å; Y761-M779 HydrophobicContact CE1-SD 4.39Å; Y761-M779 HydrophobicContact CE2-CE 4.11Å; Y761-M779 HydrophobicContact CE2-SD 4.23Å; Y761-M779 HydrophobicContact CG-CG 4.33Å; Y761-M779 HydrophobicContact CG-SD 4.13Å; Y761-M779 PolarHBondContact N-SD 3.48Å |
| 762 | P | 92.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 135.8 | -174.7 | 25.2 | -34.3 | 0 | 0 | 0 | 110.9 | M764 | P762-M764 PolarHBondContact O-N 3.45Š|
| 763 | G | 91.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 91% | 0.907 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -5.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y761 | Y761-G763 PolarHBondContact O-N 3.24Š|
| 764 | M | 95.6 | Very high | 94 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | trans | -101.1 | 138 | 177.5 | -57.1 | -177.2 | -174.2 | 0 | 0 | 111.8 | K725 Y761 P762 Q768 A769 Q772 Y777 | K725-M764 WeakPolarHBondContact CE-O 3.31Å; K725-M764 PolarHBondContact NZ-O 3.45Å; Y761-M764 HydrophobicContact CD1-SD 4.34Å; Y761-M764 WeakPolarHBondContact O-CB 3.28Å; Y761-M764 PolarHBondContact O-N 3.1Å; Y761-M764 VanDerWaalsContact O-N 3.08Å; P762-M764 PolarHBondContact O-N 3.45Å; M764-Q768 HydrophobicContact CB-CB 4.14Å; M764-A769 HydrophobicContact CB-CB 4.34Å; M764-Q772 HydrophobicContact CE-CG 4.25Å; M764-Q772 HydrophobicContact SD-CB 4.39Å; M764-Q772 HydrophobicContact SD-CG 4.09Å; M764-Y777 HydrophobicContact CE-CD1 4.5Å; M764-Y777 HydrophobicContact CE-CE1 4.05Å | ||
| 765 | T | 93.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | trans | -69.4 | 166.2 | 163.8 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | Q767 Q768 A769 | T765-Q767 VanDerWaalsContact C-N 3.29Å; T765-Q767 PolarHBondContact O-N 3.16Å; T765-Q768 PolarHBondContact O-N 2.91Å; T765-Q768 VanDerWaalsContact OG1-CD 3.32Å; T765-Q768 VanDerWaalsContact OG1-CG 3.3Å; T765-Q768 WeakPolarHBondContact OG1-CG 3.47Å; T765-Q768 PolarHBondContact OG1-N 3.43Å; T765-Q768 PolarHBondContact OG1-OE1 2.92Å; T765-A769 WeakPolarHBondContact O-CB 3.45Å; T765-A769 PolarHBondContact O-N 2.91Å | ||
| 766 | N | 91.6 | Very high | 93.7 | Very high | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 177.1 | -74.2 | -6.1 | 0 | 0 | 0 | 112.5 | I724 R770 | I724-N766 HydrophobicContact CB-CB 3.99Å; I724-N766 HydrophobicContact CD1-CB 3.68Å; I724-N766 HydrophobicContact CG1-CB 4.41Å; I724-N766 HydrophobicContact CG2-CB 3.94Å; N766-R770 PolarHBondContact O-N 2.93Å; N766-R770 VanDerWaalsContact O-N 3.08Å |
| 767 | Q | 88.5 | Confident | 93.6 | Very high | 134 Ų | 134 | 64.1 Ų | 64.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -47.9 | 177.4 | 179.9 | 176.9 | -8 | 0 | 0 | 111.3 | T765 A769 R770 E771 | T765-Q767 VanDerWaalsContact C-N 3.29Å; T765-Q767 PolarHBondContact O-N 3.16Å; Q767-A769 VanDerWaalsContact C-N 3.34Å; Q767-A769 PolarHBondContact O-N 3.02Å; Q767-R770 WeakPolarHBondContact O-CB 3.45Å; Q767-R770 PolarHBondContact O-N 3.49Å; Q767-E771 VanDerWaalsContact CG-OE1 3.3Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.48Å; Q767-E771 PolarHBondContact NE2-OE1 3.27Å; Q767-E771 WeakPolarHBondContact O-CG 3.44Å; Q767-E771 PolarHBondContact O-N 3.3Å |
| 768 | Q | 92.5 | Very high | 93.7 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 178.1 | -72.2 | 165.7 | -38.8 | 0 | 0 | 112.1 | M764 T765 R770 E771 Q772 | M764-Q768 HydrophobicContact CB-CB 4.14Å; T765-Q768 PolarHBondContact O-N 2.91Å; T765-Q768 VanDerWaalsContact OG1-CD 3.32Å; T765-Q768 VanDerWaalsContact OG1-CG 3.3Å; T765-Q768 WeakPolarHBondContact OG1-CG 3.47Å; T765-Q768 PolarHBondContact OG1-N 3.43Å; T765-Q768 PolarHBondContact OG1-OE1 2.92Å; Q768-R770 VanDerWaalsContact C-N 3.34Å; Q768-R770 PolarHBondContact O-N 2.99Å; Q768-E771 PolarHBondContact O-N 2.91Å; Q768-Q772 WeakPolarHBondContact O-CB 3.34Å; Q768-Q772 VanDerWaalsContact O-CG 3.22Å; Q768-Q772 WeakPolarHBondContact O-CG 3.17Å; Q768-Q772 PolarHBondContact O-N 3.41Å |
| 769 | A | 92.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | K725 Y761 M764 T765 Q767 Q772 V773 | K725-A769 HydrophobicContact CG-CB 4.22Å; Y761-A769 HydrophobicContact CD1-CB 4.14Å; Y761-A769 HydrophobicContact CD2-CB 4.13Å; Y761-A769 HydrophobicContact CG-CB 3.79Å; M764-A769 HydrophobicContact CB-CB 4.34Å; T765-A769 WeakPolarHBondContact O-CB 3.45Å; T765-A769 PolarHBondContact O-N 2.91Å; Q767-A769 VanDerWaalsContact C-N 3.34Å; Q767-A769 PolarHBondContact O-N 3.02Å; A769-Q772 PolarHBondContact O-N 3.43Å; A769-V773 WeakPolarHBondContact O-CB 3.36Å; A769-V773 VanDerWaalsContact O-CG2 3.31Å; A769-V773 WeakPolarHBondContact O-CG2 3.41Å; A769-V773 PolarHBondContact O-N 2.89Å |
| 770 | R | 92.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 64.1 Ų | 64.1 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.8 | -53.7 | 173.9 | -177.9 | -177.9 | -178 | 160.1 | 3.7 | 111.3 | I724 L732 N733 N766 Q767 Q768 Q772 V773 E774 | I724-R770 HydrophobicContact CG2-CB 4.46Å; L732-R770 HydrophobicContact CD1-CG 4.46Å; L732-R770 PolarHBondContact O-NH2 3.46Å; N733-R770 PolarHBondContact OD1-NE 3.28Å; N733-R770 PolarHBondContact OD1-NH2 3.35Å; N766-R770 PolarHBondContact O-N 2.93Å; N766-R770 VanDerWaalsContact O-N 3.08Å; Q767-R770 WeakPolarHBondContact O-CB 3.45Å; Q767-R770 PolarHBondContact O-N 3.49Å; Q768-R770 VanDerWaalsContact C-N 3.34Å; Q768-R770 PolarHBondContact O-N 2.99Å; R770-Q772 VanDerWaalsContact C-N 3.28Å; R770-Q772 PolarHBondContact O-N 3.4Å; R770-V773 PolarHBondContact O-N 3.49Å; R770-E774 WeakPolarHBondContact O-CG 3.33Å; R770-E774 PolarHBondContact O-N 2.95Å |
| 771 | E | 91.8 | Very high | 93.7 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | -179.3 | -71.7 | 171.5 | -168.9 | 0 | 0 | 113.1 | Q767 Q768 K775 | Q767-E771 VanDerWaalsContact CG-OE1 3.3Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.48Å; Q767-E771 PolarHBondContact NE2-OE1 3.27Å; Q767-E771 WeakPolarHBondContact O-CG 3.44Å; Q767-E771 PolarHBondContact O-N 3.3Å; Q768-E771 PolarHBondContact O-N 2.91Å; E771-K775 WeakPolarHBondContact O-CG 3.3Å; E771-K775 PolarHBondContact O-N 3.49Å |
| 772 | Q | 94.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 66.6 Ų | 66.6 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.9 | -42.4 | 177.3 | -71.7 | -67.4 | -23.1 | 0 | 0 | 111.6 | M764 Q768 A769 R770 E774 K775 G776 Y777 | M764-Q772 HydrophobicContact CE-CG 4.25Å; M764-Q772 HydrophobicContact SD-CB 4.39Å; M764-Q772 HydrophobicContact SD-CG 4.09Å; Q768-Q772 WeakPolarHBondContact O-CB 3.34Å; Q768-Q772 VanDerWaalsContact O-CG 3.22Å; Q768-Q772 WeakPolarHBondContact O-CG 3.17Å; Q768-Q772 PolarHBondContact O-N 3.41Å; A769-Q772 PolarHBondContact O-N 3.43Å; R770-Q772 VanDerWaalsContact C-N 3.28Å; R770-Q772 PolarHBondContact O-N 3.4Å; Q772-E774 VanDerWaalsContact C-N 3.28Å; Q772-E774 PolarHBondContact O-N 3.37Å; Q772-K775 CarbonylContact O-C 3.52Å; Q772-K775 WeakPolarHBondContact O-CA 3.42Å; Q772-K775 PolarHBondContact O-N 2.96Å; Q772-G776 PolarHBondContact O-N 2.98Å; Q772-Y777 HydrophobicContact CB-CD1 4.1Å; Q772-Y777 HydrophobicContact CB-CG 4.23Å; Q772-Y777 WeakPolarHBondContact O-CB 3.32Å; Q772-Y777 PolarHBondContact O-N 3.47Å |
| 773 | V | 95.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 175.8 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | W744 Y761 A769 R770 K775 G776 R778 | W744-V773 HydrophobicContact CH2-CG1 3.6Å; W744-V773 HydrophobicContact CZ2-CG1 3.67Å; W744-V773 HydrophobicContact CZ2-CG2 4.31Å; Y761-V773 HydrophobicContact CE1-CG2 3.72Å; A769-V773 WeakPolarHBondContact O-CB 3.36Å; A769-V773 VanDerWaalsContact O-CG2 3.31Å; A769-V773 WeakPolarHBondContact O-CG2 3.41Å; A769-V773 PolarHBondContact O-N 2.89Å; R770-V773 PolarHBondContact O-N 3.49Å; V773-K775 VanDerWaalsContact C-N 3.31Å; V773-K775 PolarHBondContact O-N 3.14Å; V773-G776 PolarHBondContact O-N 2.97Å; V773-R778 PolarHBondContact O-NH1 3.31Å |
| 774 | E | 91.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 76 Ų | 76 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 173.3 | -71 | -59.2 | 145.7 | 0 | 0 | 112.5 | N733 R770 Q772 G776 Y799 | N733-E774 PolarHBondContact ND2-OE1 2.94Å; R770-E774 WeakPolarHBondContact O-CG 3.33Å; R770-E774 PolarHBondContact O-N 2.95Å; Q772-E774 VanDerWaalsContact C-N 3.28Å; Q772-E774 PolarHBondContact O-N 3.37Å; E774-G776 PolarHBondContact O-N 3.04Å; E774-Y799 PolarHBondContact OE2-OH 3.13Å |
| 775 | K | 94.2 | Very high | 93 | Very high | 157 Ų | 157 | 74.7 Ų | 74.7 | 68% | 0.683 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 4.1 | 174.8 | -69.5 | 172.1 | -177 | 176.3 | 0 | 113.8 | E771 Q772 V773 | E771-K775 WeakPolarHBondContact O-CG 3.3Å; E771-K775 PolarHBondContact O-N 3.49Å; Q772-K775 CarbonylContact O-C 3.52Å; Q772-K775 WeakPolarHBondContact O-CA 3.42Å; Q772-K775 PolarHBondContact O-N 2.96Å; V773-K775 VanDerWaalsContact C-N 3.31Å; V773-K775 PolarHBondContact O-N 3.14Å |
| 776 | G | 93.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 72.5 Ų | 72.5 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 3.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q772 V773 E774 | Q772-G776 PolarHBondContact O-N 2.98Å; V773-G776 PolarHBondContact O-N 2.97Å; E774-G776 PolarHBondContact O-N 3.04Å |
| 777 | Y | 96.6 | Very high | 93.2 | Very high | 78 Ų | 78 | 74.2 Ų | 74.2 | 31% | 0.306 | 37% | 0.37 | S | S | . | . | trans | -65.3 | 139.6 | 175.9 | 174.7 | -98.2 | 0 | 0 | 0 | 111.3 | Y761 M764 Q772 M779 | Y761-Y777 HydrophobicContact CD1-CD1 4.36Å; Y761-Y777 AromaticContact CD1-CE1 3.96Å; Y761-Y777 HydrophobicContact CD1-CE1 3.96Å; Y761-Y777 HydrophobicContact CE1-CD1 4.33Å; Y761-Y777 HydrophobicContact CE1-CE1 4.21Å; M764-Y777 HydrophobicContact CE-CD1 4.5Å; M764-Y777 HydrophobicContact CE-CE1 4.05Å; Q772-Y777 HydrophobicContact CB-CD1 4.1Å; Q772-Y777 HydrophobicContact CB-CG 4.23Å; Q772-Y777 WeakPolarHBondContact O-CB 3.32Å; Q772-Y777 PolarHBondContact O-N 3.47Å; Y777-M779 HydrophobicContact CE1-CG 4.33Å | ||
| 778 | R | 96.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 71.7 Ų | 71.7 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | trans | -132.3 | 148.4 | 169.1 | -60.7 | -61.2 | -178.9 | -90.4 | -0.9 | 109.4 | V773 W797 | V773-R778 PolarHBondContact O-NH1 3.31Å; R778-W797 HydrophobicContact CB-CE3 4.19Å; R778-W797 HydrophobicContact CG-CB 4.43Å; R778-W797 PolarHBondContact NE-O 2.78Å; R778-W797 PolarHBondContact NH2-O 3.43Å; R778-W797 VanDerWaalsContact NH2-O 3.08Å | ||
| 779 | M | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.4 | -178.8 | -69.1 | -175.8 | -70.4 | 0 | 0 | 111 | I748 W751 P760 Y761 Y777 Y790 W797 | I748-M779 HydrophobicContact CD1-CE 3.44Å; I748-M779 VanDerWaalsContact CD1-CE 3.44Å; W751-M779 HydrophobicContact CB-CE 4.04Å; W751-M779 HydrophobicContact CD2-CE 3.87Å; W751-M779 HydrophobicContact CD2-SD 3.79Å; W751-M779 HydrophobicContact CE3-CE 4.3Å; W751-M779 HydrophobicContact CE3-SD 4.09Å; W751-M779 HydrophobicContact CG-CE 3.74Å; W751-M779 HydrophobicContact CG-SD 4.22Å; W751-M779 HydrophobicContact CH2-SD 4.42Å; W751-M779 HydrophobicContact CZ2-SD 4.14Å; W751-M779 HydrophobicContact CZ3-SD 4.39Å; P760-M779 HydrophobicContact CB-CE 4.15Å; P760-M779 HydrophobicContact CB-SD 4.01Å; Y761-M779 HydrophobicContact CD1-CG 3.87Å; Y761-M779 HydrophobicContact CD1-SD 4.27Å; Y761-M779 HydrophobicContact CD2-SD 4.13Å; Y761-M779 HydrophobicContact CE1-CG 3.86Å; Y761-M779 HydrophobicContact CE1-SD 4.39Å; Y761-M779 HydrophobicContact CE2-CE 4.11Å; Y761-M779 HydrophobicContact CE2-SD 4.23Å; Y761-M779 HydrophobicContact CG-CG 4.33Å; Y761-M779 HydrophobicContact CG-SD 4.13Å; Y761-M779 PolarHBondContact N-SD 3.48Å; Y777-M779 HydrophobicContact CE1-CG 4.33Å; M779-Y790 PolarHBondContact O-OH 2.96Å; M779-Y790 VanDerWaalsContact O-OH 3.1Å; M779-W797 HydrophobicContact CB-CH2 4.24Å; M779-W797 HydrophobicContact CB-CZ3 4.38Å; M779-W797 HydrophobicContact CE-CH2 3.91Å; M779-W797 HydrophobicContact CE-CZ2 3.77Å |
| 780 | S | 95.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 158.4 | 174.4 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | W751 | W751-S780 PolarHBondContact NE1-O 3Š|
| 781 | A | 95.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 131.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y790 | A781-Y790 VanDerWaalsContact CA-CE2 3.48Å; A781-Y790 HydrophobicContact CB-CD1 3.9Å; A781-Y790 HydrophobicContact CB-CD2 3.59Å; A781-Y790 HydrophobicContact CB-CE1 4.09Å; A781-Y790 HydrophobicContact CB-CE2 3.81Å; A781-Y790 HydrophobicContact CB-CG 3.63Å; A781-Y790 VanDerWaalsContact N-CE2 3.29Å |
| 782 | P | 94.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 65.5 Ų | 65.5 | 8% | 0.078 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 151.5 | 171.7 | -23.8 | 33.7 | 0 | 0 | 0 | 112.4 | W751 F754 K784 C785 | W751-P782 HydrophobicContact CD2-CG 4.3Å; W751-P782 HydrophobicContact CG-CG 4.07Å; F754-P782 HydrophobicContact CB-CB 4.22Å; F754-P782 HydrophobicContact CB-CG 4.11Å; F754-P782 WeakPolarHBondContact O-CB 3.43Å; P782-K784 PolarHBondContact O-N 3.44Å; P782-C785 HydrophobicContact CB-CB 4.19Å; P782-C785 HydrophobicContact CG-CB 4.44Å; P782-C785 WeakPolarHBondContact O-CB 3.43Å; P782-C785 PolarHBondContact O-N 3.27Å |
| 783 | Q | 86.7 | Confident | 94.8 | Very high | 177 Ų | 177 | 62.1 Ų | 62.1 | 83% | 0.827 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.7 | 177.8 | -161.6 | -177.2 | 16.1 | 0 | 0 | 110.2 | C785 | Q783-C785 VanDerWaalsContact C-N 3.27Å; Q783-C785 PolarHBondContact O-N 2.87Å |
| 784 | K | 84.9 | Confident | 94.9 | Very high | 186 Ų | 186 | 65.9 Ų | 65.9 | 81% | 0.809 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 11.8 | -175.7 | -47.5 | 176.3 | -179.1 | 175.7 | 0 | 115.4 | P782 | P782-K784 PolarHBondContact O-N 3.44Š|
| 785 | C | 94.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 66.9 Ų | 66.9 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | trans | -68.1 | 130.2 | 168.9 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | F754 P782 Q783 | F754-C785 HydrophobicContact CB-CB 4.14Å; F754-C785 HydrophobicContact CD1-CB 4.48Å; P782-C785 HydrophobicContact CB-CB 4.19Å; P782-C785 HydrophobicContact CG-CB 4.44Å; P782-C785 WeakPolarHBondContact O-CB 3.43Å; P782-C785 PolarHBondContact O-N 3.27Å; Q783-C785 VanDerWaalsContact C-N 3.27Å; Q783-C785 PolarHBondContact O-N 2.87Å | ||
| 786 | P | 94.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | trans | -61.2 | 141.5 | 171 | -22.2 | 33.7 | 0 | 0 | 0 | 111.7 | T658 F754 E788 I789 Y790 | T658-P786 HydrophobicContact CG2-CG 3.49Å; T658-P786 VanDerWaalsContact CG2-CG 3.49Å; F754-P786 HydrophobicContact CE1-CG 4.38Å; P786-E788 VanDerWaalsContact C-N 3.29Å; P786-E788 PolarHBondContact O-N 3.46Å; P786-I789 HydrophobicContact CB-CB 4.42Å; P786-I789 HydrophobicContact CB-CG1 4.03Å; P786-I789 HydrophobicContact CG-CG1 4.12Å; P786-I789 WeakPolarHBondContact O-CB 3.42Å; P786-I789 PolarHBondContact O-N 3.31Å; P786-Y790 PolarHBondContact O-N 3.41Å; P786-Y790 VanDerWaalsContact O-N 3.11Å | ||
| 787 | E | 95.1 | Very high | 95.7 | Very high | 110 Ų | 110 | 57 Ų | 57 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | -179.8 | -177.6 | 59 | -159.1 | 0 | 0 | 112.3 | I789 Y790 K791 | E787-I789 PolarHBondContact O-N 3.44Å; E787-Y790 PolarHBondContact O-N 2.98Å; E787-K791 WeakPolarHBondContact O-CG 3.27Å; E787-K791 PolarHBondContact O-N 3.34Å; E787-K791 WeakPolarHBondContact OE1-CE 3.34Å |
| 788 | E | 95.3 | Very high | 95.8 | Very high | 81 Ų | 81 | 56 Ų | 56 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 176.5 | -63.6 | -176 | 150.2 | 0 | 0 | 111.9 | P786 I792 I817 K820 | P786-E788 VanDerWaalsContact C-N 3.29Å; P786-E788 PolarHBondContact O-N 3.46Å; E788-I792 PolarHBondContact O-N 2.84Å; E788-I817 HydrophobicContact CB-CD1 3.83Å; E788-I817 HydrophobicContact CB-CG1 4.22Å; E788-K820 IonicContact OE1-NZ 2.9Å; E788-K820 PolarHBondContact OE1-NZ 2.94Å; E788-K820 IonicContact OE2-NZ 3.77Å |
| 789 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.1 | -43.4 | 177.6 | -63.6 | -67.2 | 0 | 0 | 0 | 110.7 | V662 F754 P786 E787 K791 I792 M793 L814 I817 | V662-I789 HydrophobicContact CG2-CD1 4.19Å; V662-I789 HydrophobicContact CG2-CG1 4.49Å; F754-I789 HydrophobicContact CD2-CG2 3.7Å; F754-I789 HydrophobicContact CE1-CG1 4.24Å; F754-I789 HydrophobicContact CE1-CG2 4.3Å; F754-I789 HydrophobicContact CE2-CB 4.46Å; F754-I789 HydrophobicContact CE2-CD1 4.46Å; F754-I789 HydrophobicContact CE2-CG1 4.37Å; F754-I789 HydrophobicContact CE2-CG2 3.43Å; F754-I789 VanDerWaalsContact CE2-CG2 3.43Å; F754-I789 HydrophobicContact CG-CG2 4.29Å; F754-I789 HydrophobicContact CZ-CB 4.33Å; F754-I789 HydrophobicContact CZ-CD1 4.06Å; F754-I789 HydrophobicContact CZ-CG1 3.84Å; F754-I789 HydrophobicContact CZ-CG2 3.75Å; P786-I789 HydrophobicContact CB-CB 4.42Å; P786-I789 HydrophobicContact CB-CG1 4.03Å; P786-I789 HydrophobicContact CG-CG1 4.12Å; P786-I789 WeakPolarHBondContact O-CB 3.42Å; P786-I789 PolarHBondContact O-N 3.31Å; E787-I789 PolarHBondContact O-N 3.44Å; I789-K791 VanDerWaalsContact C-N 3.28Å; I789-K791 PolarHBondContact O-N 3.37Å; I789-I792 WeakPolarHBondContact O-CB 3.32Å; I789-I792 PolarHBondContact O-N 3.49Å; I789-M793 HydrophobicContact CG2-CE 3.61Å; I789-M793 PolarHBondContact O-N 2.86Å; I789-L814 HydrophobicContact CD1-CD2 3.45Å; I789-L814 VanDerWaalsContact CD1-CD2 3.45Å; I789-I817 HydrophobicContact CD1-CD1 3.74Å; I789-I817 HydrophobicContact CD1-CG2 4.12Å; I789-I817 HydrophobicContact CG1-CD1 4.44Å; I789-I817 HydrophobicContact CG1-CG2 4.47Å |
| 790 | Y | 97.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 63.8 Ų | 63.8 | 13% | 0.125 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -35.9 | -180 | -176.6 | -117.9 | 0 | 0 | 0 | 111.9 | M779 A781 P786 E787 I792 M793 Q794 W797 | M779-Y790 PolarHBondContact O-OH 2.96Å; M779-Y790 VanDerWaalsContact O-OH 3.1Å; A781-Y790 VanDerWaalsContact CA-CE2 3.48Å; A781-Y790 HydrophobicContact CB-CD1 3.9Å; A781-Y790 HydrophobicContact CB-CD2 3.59Å; A781-Y790 HydrophobicContact CB-CE1 4.09Å; A781-Y790 HydrophobicContact CB-CE2 3.81Å; A781-Y790 HydrophobicContact CB-CG 3.63Å; A781-Y790 VanDerWaalsContact N-CE2 3.29Å; P786-Y790 PolarHBondContact O-N 3.41Å; P786-Y790 VanDerWaalsContact O-N 3.11Å; E787-Y790 PolarHBondContact O-N 2.98Å; Y790-I792 VanDerWaalsContact C-N 3.28Å; Y790-I792 PolarHBondContact O-N 2.88Å; Y790-M793 HydrophobicContact CD2-CB 4.41Å; Y790-M793 HydrophobicContact CD2-SD 4.2Å; Y790-M793 WeakPolarHBondContact O-CA 3.4Å; Y790-M793 WeakPolarHBondContact O-CB 3.37Å; Y790-M793 PolarHBondContact O-N 3.09Å; Y790-Q794 HydrophobicContact CD1-CG 4.24Å; Y790-Q794 VanDerWaalsContact CE1-CD 3.45Å; Y790-Q794 HydrophobicContact CE1-CG 3.87Å; Y790-Q794 HydrophobicContact CE2-CG 4.25Å; Y790-Q794 WeakPolarHBondContact O-CG 3.43Å; Y790-Q794 PolarHBondContact O-N 3.43Å; Y790-W797 HydrophobicContact CE2-CZ3 4.48Å |
| 791 | K | 97.8 | Very high | 95.8 | Very high | 111 Ų | 111 | 61.2 Ų | 61.2 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 171.5 | -72.8 | 176.4 | 179.1 | 177.7 | 0 | 113.3 | E787 I789 R795 | E787-K791 WeakPolarHBondContact O-CG 3.27Å; E787-K791 PolarHBondContact O-N 3.34Å; E787-K791 WeakPolarHBondContact OE1-CE 3.34Å; I789-K791 VanDerWaalsContact C-N 3.28Å; I789-K791 PolarHBondContact O-N 3.37Å; K791-R795 PolarHBondContact O-N 3.33Å |
| 792 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -47.1 | 171.3 | -62.9 | 168.5 | 0 | 0 | 0 | 109.6 | L750 E788 I789 Y790 Q794 R795 C796 I810 E813 L814 I817 | L750-I792 HydrophobicContact CD1-CB 4.39Å; L750-I792 HydrophobicContact CD1-CG2 3.81Å; E788-I792 PolarHBondContact O-N 2.84Å; I789-I792 WeakPolarHBondContact O-CB 3.32Å; I789-I792 PolarHBondContact O-N 3.49Å; Y790-I792 VanDerWaalsContact C-N 3.28Å; Y790-I792 PolarHBondContact O-N 2.88Å; I792-Q794 VanDerWaalsContact C-N 3.33Å; I792-Q794 PolarHBondContact O-N 2.85Å; I792-R795 PolarHBondContact O-N 2.95Å; I792-C796 PolarHBondContact O-N 2.86Å; I792-C796 PolarHBondContact O-SG 2.96Å; I792-I810 HydrophobicContact CG2-CG1 4.49Å; I792-I810 HydrophobicContact CG2-CG2 4.13Å; I792-E813 HydrophobicContact CD1-CB 4.15Å; I792-L814 HydrophobicContact CD1-CD2 3.98Å; I792-L814 HydrophobicContact CD1-CG 4.26Å; I792-I817 HydrophobicContact CD1-CD1 3.71Å |
| 793 | M | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 178.2 | -56.8 | -172.4 | -161.9 | 0 | 0 | 112.1 | L750 W751 F754 I789 Y790 R795 C796 W797 | L750-M793 HydrophobicContact CB-CE 3.82Å; L750-M793 HydrophobicContact CB-CG 3.78Å; L750-M793 HydrophobicContact CB-SD 4.15Å; L750-M793 HydrophobicContact CD1-CG 3.91Å; W751-M793 HydrophobicContact CB-SD 3.94Å; W751-M793 HydrophobicContact CG-SD 4.47Å; F754-M793 HydrophobicContact CB-CE 4.12Å; F754-M793 HydrophobicContact CD2-CE 3.84Å; F754-M793 HydrophobicContact CG-CE 4.21Å; I789-M793 HydrophobicContact CG2-CE 3.61Å; I789-M793 PolarHBondContact O-N 2.86Å; Y790-M793 HydrophobicContact CD2-CB 4.41Å; Y790-M793 HydrophobicContact CD2-SD 4.2Å; Y790-M793 WeakPolarHBondContact O-CA 3.4Å; Y790-M793 WeakPolarHBondContact O-CB 3.37Å; Y790-M793 PolarHBondContact O-N 3.09Å; M793-R795 PolarHBondContact O-N 3.04Å; M793-C796 WeakPolarHBondContact O-CB 3.32Å; M793-C796 PolarHBondContact O-N 3.06Å; M793-W797 HydrophobicContact CB-CE3 4.3Å; M793-W797 HydrophobicContact CB-CH2 3.9Å; M793-W797 HydrophobicContact CB-CZ2 4.27Å; M793-W797 HydrophobicContact CB-CZ3 3.92Å; M793-W797 VanDerWaalsContact O-CD2 3.3Å; M793-W797 PolarHBondContact O-N 3.27Å; M793-W797 VanDerWaalsContact O-N 3.1Å; M793-W797 HydrophobicContact SD-CH2 4.11Å |
| 794 | Q | 98.2 | Very high | 96.6 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 180 | -71.1 | -178.5 | -61.9 | 0 | 0 | 112.4 | Y790 I792 W797 D798 | Y790-Q794 HydrophobicContact CD1-CG 4.24Å; Y790-Q794 VanDerWaalsContact CE1-CD 3.45Å; Y790-Q794 HydrophobicContact CE1-CG 3.87Å; Y790-Q794 HydrophobicContact CE2-CG 4.25Å; Y790-Q794 WeakPolarHBondContact O-CG 3.43Å; Y790-Q794 PolarHBondContact O-N 3.43Å; I792-Q794 VanDerWaalsContact C-N 3.33Å; I792-Q794 PolarHBondContact O-N 2.85Å; Q794-W797 CarbonylContact O-C 3.53Å; Q794-W797 PolarHBondContact O-N 3.18Å; Q794-D798 PolarHBondContact O-N 3.21Å |
| 795 | R | 98.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.8 | -35 | 175.4 | -72.2 | -173.9 | -63.8 | 145.6 | 1 | 112.8 | K791 I792 M793 W797 D798 P805 E813 | K791-R795 PolarHBondContact O-N 3.33Å; I792-R795 PolarHBondContact O-N 2.95Å; M793-R795 PolarHBondContact O-N 3.04Å; R795-W797 PolarHBondContact O-N 3Å; R795-D798 PolarHBondContact O-N 3.36Å; R795-P805 HydrophobicContact CB-CG 4.24Å; R795-E813 IonicContact CZ-OE1 3.55Å; R795-E813 IonicContact CZ-OE2 2.73Å; R795-E813 IonicContact NH1-OE1 2.72Å; R795-E813 PolarHBondContact NH1-OE1 3.4Å; R795-E813 IonicContact NH2-OE1 3.49Å; R795-E813 PolarHBondContact NH2-OE1 3.36Å; R795-E813 IonicContact NH2-OE2 3.81Å; R795-E813 PolarHBondContact NH2-OE2 3Å |
| 796 | C | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -29 | 173.3 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | V743 W744 I792 M793 R804 | V743-C796 HydrophobicContact CG1-CB 4Å; V743-C796 WeakPolarHBondContact O-CB 3.49Å; W744-C796 WeakPolarHBondContact CA-O 3.43Å; I792-C796 PolarHBondContact O-N 2.86Å; I792-C796 PolarHBondContact O-SG 2.96Å; M793-C796 WeakPolarHBondContact O-CB 3.32Å; M793-C796 PolarHBondContact O-N 3.06Å; C796-R804 WeakPolarHBondContact O-CD 3.36Å |
| 797 | W | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 21.3 | 178.4 | -53.1 | -40.6 | 0 | 0 | 0 | 114.3 | W744 G747 I748 W751 R778 M779 Y790 M793 Q794 R795 Y799 | W744-W797 AromaticContact CD2-CD1 3.85Å; W744-W797 AromaticContact CE2-CD1 3.95Å; W744-W797 HydrophobicContact CE3-CB 4.18Å; W744-W797 HydrophobicContact CH2-CB 4.21Å; W744-W797 HydrophobicContact CZ3-CB 4Å; W744-W797 VanDerWaalsContact CZ3-O 3.31Å; W744-W797 WeakPolarHBondContact CZ3-O 3.35Å; W744-W797 PolarHBondContact O-NE1 3.28Å; G747-W797 VanDerWaalsContact C-CZ2 3.44Å; G747-W797 VanDerWaalsContact C-NE1 3.33Å; G747-W797 WeakPolarHBondContact O-CZ2 3.48Å; I748-W797 HydrophobicContact CD1-CZ2 3.78Å; I748-W797 VanDerWaalsContact CD1-NE1 3.34Å; W751-W797 HydrophobicContact CB-CH2 3.93Å; W751-W797 HydrophobicContact CB-CZ2 3.96Å; W751-W797 AromaticContact CD1-CH2 3.79Å; W751-W797 HydrophobicContact CG-CH2 4.12Å; R778-W797 HydrophobicContact CB-CE3 4.19Å; R778-W797 HydrophobicContact CG-CB 4.43Å; R778-W797 PolarHBondContact NE-O 2.78Å; R778-W797 PolarHBondContact NH2-O 3.43Å; R778-W797 VanDerWaalsContact NH2-O 3.08Å; M779-W797 HydrophobicContact CB-CH2 4.24Å; M779-W797 HydrophobicContact CB-CZ3 4.38Å; M779-W797 HydrophobicContact CE-CH2 3.91Å; M779-W797 HydrophobicContact CE-CZ2 3.77Å; Y790-W797 HydrophobicContact CE2-CZ3 4.48Å; M793-W797 HydrophobicContact CB-CE3 4.3Å; M793-W797 HydrophobicContact CB-CH2 3.9Å; M793-W797 HydrophobicContact CB-CZ2 4.27Å; M793-W797 HydrophobicContact CB-CZ3 3.92Å; M793-W797 VanDerWaalsContact O-CD2 3.3Å; M793-W797 PolarHBondContact O-N 3.27Å; M793-W797 VanDerWaalsContact O-N 3.1Å; M793-W797 HydrophobicContact SD-CH2 4.11Å; Q794-W797 CarbonylContact O-C 3.53Å; Q794-W797 PolarHBondContact O-N 3.18Å; R795-W797 PolarHBondContact O-N 3Å; W797-Y799 PolarHBondContact O-N 2.89Å |
| 798 | D | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | trans | -56.3 | 135.3 | 167.5 | -161.6 | -63.7 | 0 | 0 | 0 | 109 | Q794 R795 K800 N803 R804 | Q794-D798 PolarHBondContact O-N 3.21Å; R795-D798 PolarHBondContact O-N 3.36Å; D798-K800 VanDerWaalsContact C-N 3.26Å; D798-K800 PolarHBondContact O-N 3.45Å; D798-K800 PolarHBondContact OD1-N 3.26Å; D798-N803 HydrophobicContact CB-CB 3.96Å; D798-N803 VanDerWaalsContact CG-CB 3.41Å; D798-N803 PolarHBondContact OD1-ND2 2.82Å; D798-R804 HydrophobicContact CB-CG 4.12Å; D798-R804 PolarHBondContact O-NE 3.4Å; D798-R804 PolarHBondContact O-NH2 3.46Å | ||
| 799 | Y | 96.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -63.1 | -39.2 | -177.5 | -174.2 | -92.5 | 0 | 0 | 0 | 110.6 | P729 E774 W797 R804 | P729-Y799 HydrophobicContact CB-CD2 4.46Å; P729-Y799 HydrophobicContact CB-CE2 3.96Å; P729-Y799 HydrophobicContact CG-CD2 4.02Å; P729-Y799 HydrophobicContact CG-CE2 3.99Å; E774-Y799 PolarHBondContact OE2-OH 3.13Å; W797-Y799 PolarHBondContact O-N 2.89Å; Y799-R804 PolarHBondContact O-NH2 3.18Å |
| 800 | K | 96.4 | Very high | 97.8 | Very high | 117 Ų | 117 | 53.5 Ų | 53.5 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -81.9 | 120.3 | 177.9 | -70.4 | -173.2 | 174.4 | -166.7 | 0 | 110.1 | D798 E802 N803 | D798-K800 VanDerWaalsContact C-N 3.26Å; D798-K800 PolarHBondContact O-N 3.45Å; D798-K800 PolarHBondContact OD1-N 3.26Å; K800-E802 VanDerWaalsContact C-N 3.27Å; K800-E802 HydrophobicContact CB-CG 4.47Å; K800-E802 PolarHBondContact O-N 3.37Å; K800-N803 HydrophobicContact CB-CB 4.39Å; K800-N803 PolarHBondContact O-N 3.35Å; K800-N803 VanDerWaalsContact O-N 3.16Å |
| 801 | P | 97.3 | Very high | 97.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -54.9 | -40.6 | -178.2 | -26.1 | 34.8 | 0 | 0 | 0 | 113.6 | E730 E740 N803 R804 | E730-P801 HydrophobicContact CB-CG 4.37Å; E730-P801 HydrophobicContact CG-CG 3.77Å; E740-P801 HydrophobicContact CB-CB 3.87Å; E740-P801 HydrophobicContact CG-CB 4.39Å; P801-N803 PolarHBondContact O-N 3.49Å; P801-R804 WeakPolarHBondContact O-CB 3.37Å; P801-R804 WeakPolarHBondContact O-CG 3.33Å; P801-R804 PolarHBondContact O-N 3.04Å |
| 802 | E | 96.2 | Very high | 97.7 | Very high | 134 Ų | 134 | 56.8 Ų | 56.8 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -65 | -18.4 | -177.8 | 64.7 | -88.2 | -158.3 | 0 | 0 | 114.5 | K800 | K800-E802 VanDerWaalsContact C-N 3.27Å; K800-E802 HydrophobicContact CB-CG 4.47Å; K800-E802 PolarHBondContact O-N 3.37Å |
| 803 | N | 97.6 | Very high | 97.6 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -87.9 | -10.1 | 176.9 | -70.6 | -15.9 | 0 | 0 | 0 | 112.7 | D798 K800 P801 | D798-N803 HydrophobicContact CB-CB 3.96Å; D798-N803 VanDerWaalsContact CG-CB 3.41Å; D798-N803 PolarHBondContact OD1-ND2 2.82Å; K800-N803 HydrophobicContact CB-CB 4.39Å; K800-N803 PolarHBondContact O-N 3.35Å; K800-N803 VanDerWaalsContact O-N 3.16Å; P801-N803 PolarHBondContact O-N 3.49Å |
| 804 | R | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -77.1 | 142.4 | -178.5 | -58.6 | 177.1 | -166.7 | 150.2 | 9.7 | 109.5 | E730 E740 V743 C796 D798 Y799 P801 | E730-R804 IonicContact OE1-CZ 2.93Å; E730-R804 IonicContact OE1-NH1 2.83Å; E730-R804 PolarHBondContact OE1-NH1 3.29Å; E730-R804 IonicContact OE1-NH2 3Å; E730-R804 PolarHBondContact OE1-NH2 2.93Å; E730-R804 IonicContact OE2-CZ 3.05Å; E730-R804 IonicContact OE2-NH1 2.72Å; E730-R804 IonicContact OE2-NH2 3.13Å; E730-R804 PolarHBondContact OE2-NH2 2.92Å; E740-R804 WeakPolarHBondContact O-CD 3.34Å; E740-R804 PolarHBondContact O-NH1 3.24Å; V743-R804 HydrophobicContact CB-CB 4.49Å; V743-R804 HydrophobicContact CG1-CB 3.96Å; C796-R804 WeakPolarHBondContact O-CD 3.36Å; D798-R804 HydrophobicContact CB-CG 4.12Å; D798-R804 PolarHBondContact O-NE 3.4Å; D798-R804 PolarHBondContact O-NH2 3.46Å; Y799-R804 PolarHBondContact O-NH2 3.18Å; P801-R804 WeakPolarHBondContact O-CB 3.37Å; P801-R804 WeakPolarHBondContact O-CG 3.33Å; P801-R804 PolarHBondContact O-N 3.04Å |
| 805 | P | 98.1 | Very high | 97.4 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 152.8 | -179.2 | 28.4 | -33 | 0 | 0 | 0 | 111.2 | V743 R795 I810 | V743-P805 HydrophobicContact CG1-CG 4.47Å; V743-P805 WeakPolarHBondContact CG2-O 3.41Å; R795-P805 HydrophobicContact CB-CG 4.24Å; P805-I810 HydrophobicContact CB-CG1 4.07Å; P805-I810 HydrophobicContact CG-CD1 3.98Å; P805-I810 HydrophobicContact CG-CG1 3.84Å |
| 806 | K | 97.8 | Very high | 97.3 | Very high | 117 Ų | 117 | 56.1 Ų | 56.1 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 155.3 | 173.8 | -64.2 | -168.8 | 176.3 | -170.8 | 0 | 111.3 | S808 E809 I810 | K806-S808 VanDerWaalsContact C-N 3.25Å; K806-S808 PolarHBondContact O-N 3.05Å; K806-E809 HydrophobicContact CB-CG 4.32Å; K806-E809 PolarHBondContact N-OE2 3.24Å; K806-E809 VanDerWaalsContact N-OE2 3.12Å; K806-E809 WeakPolarHBondContact O-CB 3.41Å; K806-E809 PolarHBondContact O-N 2.94Å; K806-I810 WeakPolarHBondContact O-CG1 3.45Å; K806-I810 PolarHBondContact O-N 3.34Å; K806-I810 VanDerWaalsContact O-N 3.12Å |
| 807 | F | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 179.3 | -80.4 | -67.4 | 0 | 0 | 0 | 112.9 | M672 A673 E676 D742 V743 F746 E809 I810 Q811 | M672-F807 HydrophobicContact CB-CB 4.47Å; M672-F807 HydrophobicContact CB-CD1 3.41Å; M672-F807 VanDerWaalsContact CB-CD1 3.41Å; M672-F807 HydrophobicContact CB-CD2 3.85Å; M672-F807 HydrophobicContact CB-CE1 3.36Å; M672-F807 HydrophobicContact CB-CE2 3.81Å; M672-F807 HydrophobicContact CB-CG 3.65Å; M672-F807 HydrophobicContact CB-CZ 3.57Å; M672-F807 HydrophobicContact CE-CE2 3.73Å; M672-F807 HydrophobicContact CE-CZ 3.7Å; M672-F807 HydrophobicContact CG-CD1 4.28Å; M672-F807 HydrophobicContact CG-CE1 3.76Å; M672-F807 HydrophobicContact CG-CE2 4.43Å; M672-F807 HydrophobicContact CG-CZ 3.84Å; A673-F807 HydrophobicContact CB-CB 3.87Å; E676-F807 HydrophobicContact CB-CD2 4.38Å; E676-F807 PolarHBondContact OE2-N 2.93Å; D742-F807 HydrophobicContact CB-CE2 4.03Å; D742-F807 HydrophobicContact CB-CZ 4.08Å; V743-F807 HydrophobicContact CB-CZ 4.4Å; V743-F807 HydrophobicContact CG2-CD2 3.95Å; V743-F807 HydrophobicContact CG2-CE1 4.26Å; V743-F807 HydrophobicContact CG2-CE2 3.62Å; V743-F807 HydrophobicContact CG2-CG 4.4Å; V743-F807 HydrophobicContact CG2-CZ 3.8Å; F746-F807 HydrophobicContact CB-CE1 3.61Å; F746-F807 HydrophobicContact CB-CZ 4.02Å; F746-F807 HydrophobicContact CD1-CE1 4.34Å; F746-F807 AromaticContact CD2-CE1 3.84Å; F746-F807 HydrophobicContact CD2-CE1 3.84Å; F746-F807 AromaticContact CG-CE1 3.67Å; F746-F807 HydrophobicContact CG-CE1 3.67Å; F807-E809 VanDerWaalsContact C-N 3.26Å; F807-E809 PolarHBondContact O-N 2.87Å; F807-I810 HydrophobicContact CD1-CD1 4.24Å; F807-I810 PolarHBondContact O-N 3.41Å; F807-Q811 VanDerWaalsContact O-CB 3.31Å; F807-Q811 WeakPolarHBondContact O-CB 3.41Å; F807-Q811 PolarHBondContact O-N 3.31Å |
| 808 | S | 96.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -30.4 | 175.2 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | K806 K812 | K806-S808 VanDerWaalsContact C-N 3.25Å; K806-S808 PolarHBondContact O-N 3.05Å; S808-K812 WeakPolarHBondContact O-CG 3.29Å; S808-K812 PolarHBondContact O-N 3.27Å |
| 809 | E | 97.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.9 | -48.7 | 175.8 | -62.2 | 171.6 | 167.4 | 0 | 0 | 110.2 | K806 F807 Q811 K812 E813 | K806-E809 HydrophobicContact CB-CG 4.32Å; K806-E809 PolarHBondContact N-OE2 3.24Å; K806-E809 VanDerWaalsContact N-OE2 3.12Å; K806-E809 WeakPolarHBondContact O-CB 3.41Å; K806-E809 PolarHBondContact O-N 2.94Å; F807-E809 VanDerWaalsContact C-N 3.26Å; F807-E809 PolarHBondContact O-N 2.87Å; E809-Q811 VanDerWaalsContact C-N 3.27Å; E809-Q811 PolarHBondContact O-N 3.42Å; E809-K812 PolarHBondContact O-N 3.1Å; E809-K812 VanDerWaalsContact O-N 3.12Å; E809-E813 WeakPolarHBondContact O-CG 3.37Å; E809-E813 PolarHBondContact O-N 3.49Å |
| 810 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.8 | -44.5 | 175.5 | -62.3 | 171.4 | 0 | 0 | 0 | 110.8 | A669 V743 F746 I792 P805 K806 F807 K812 E813 L814 | A669-I810 HydrophobicContact CB-CG2 4.24Å; V743-I810 HydrophobicContact CG1-CD1 4.03Å; F746-I810 HydrophobicContact CD1-CD1 4.22Å; F746-I810 HydrophobicContact CD1-CG2 4.19Å; F746-I810 HydrophobicContact CE1-CG2 3.46Å; F746-I810 VanDerWaalsContact CE1-CG2 3.46Å; F746-I810 HydrophobicContact CZ-CG2 4.03Å; I792-I810 HydrophobicContact CG2-CG1 4.49Å; I792-I810 HydrophobicContact CG2-CG2 4.13Å; P805-I810 HydrophobicContact CB-CG1 4.07Å; P805-I810 HydrophobicContact CG-CD1 3.98Å; P805-I810 HydrophobicContact CG-CG1 3.84Å; K806-I810 WeakPolarHBondContact O-CG1 3.45Å; K806-I810 PolarHBondContact O-N 3.34Å; K806-I810 VanDerWaalsContact O-N 3.12Å; F807-I810 HydrophobicContact CD1-CD1 4.24Å; F807-I810 PolarHBondContact O-N 3.41Å; I810-K812 PolarHBondContact O-N 3.46Å; I810-E813 PolarHBondContact O-N 3.35Å; I810-L814 HydrophobicContact CG2-CD1 3.78Å; I810-L814 HydrophobicContact CG2-CG 4.29Å; I810-L814 WeakPolarHBondContact O-CB 3.38Å; I810-L814 WeakPolarHBondContact O-CG 3.33Å; I810-L814 PolarHBondContact O-N 3Å |
| 811 | Q | 97.5 | Very high | 95.2 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 178.4 | -172.2 | -164.8 | 22.6 | 0 | 0 | 111.8 | L666 A669 S670 F807 E809 S815 | L666-Q811 HydrophobicContact CD1-CG 3.84Å; L666-Q811 VanDerWaalsContact CD1-O 3.32Å; L666-Q811 WeakPolarHBondContact CD1-O 3.47Å; A669-Q811 HydrophobicContact CB-CB 4.23Å; S670-Q811 PolarHBondContact OG-NE2 3.16Å; F807-Q811 VanDerWaalsContact O-CB 3.31Å; F807-Q811 WeakPolarHBondContact O-CB 3.41Å; F807-Q811 PolarHBondContact O-N 3.31Å; E809-Q811 VanDerWaalsContact C-N 3.27Å; E809-Q811 PolarHBondContact O-N 3.42Å; Q811-S815 WeakPolarHBondContact O-CB 3.46Å; Q811-S815 PolarHBondContact O-N 2.9Å |
| 812 | K | 96.5 | Very high | 93 | Very high | 153 Ų | 153 | 67.5 Ų | 67.5 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 177.4 | -73.6 | 170.4 | -175.4 | 172.7 | 0 | 111.4 | S808 E809 I810 S815 S816 | S808-K812 WeakPolarHBondContact O-CG 3.29Å; S808-K812 PolarHBondContact O-N 3.27Å; E809-K812 PolarHBondContact O-N 3.1Å; E809-K812 VanDerWaalsContact O-N 3.12Å; I810-K812 PolarHBondContact O-N 3.46Å; K812-S815 WeakPolarHBondContact O-CB 3.38Å; K812-S815 PolarHBondContact O-N 3.33Å; K812-S816 PolarHBondContact O-N 3.12Å |
| 813 | E | 96.6 | Very high | 92.8 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -50.2 | 177.9 | -70.2 | -173.2 | -134.8 | 0 | 0 | 111.8 | I792 R795 E809 I810 S815 S816 I817 | I792-E813 HydrophobicContact CD1-CB 4.15Å; R795-E813 IonicContact CZ-OE1 3.55Å; R795-E813 IonicContact CZ-OE2 2.73Å; R795-E813 IonicContact NH1-OE1 2.72Å; R795-E813 PolarHBondContact NH1-OE1 3.4Å; R795-E813 IonicContact NH2-OE1 3.49Å; R795-E813 PolarHBondContact NH2-OE1 3.36Å; R795-E813 IonicContact NH2-OE2 3.81Å; R795-E813 PolarHBondContact NH2-OE2 3Å; E809-E813 WeakPolarHBondContact O-CG 3.37Å; E809-E813 PolarHBondContact O-N 3.49Å; I810-E813 PolarHBondContact O-N 3.35Å; E813-S815 VanDerWaalsContact C-N 3.26Å; E813-S815 PolarHBondContact O-N 3.39Å; E813-S816 WeakPolarHBondContact O-CA 3.4Å; E813-S816 WeakPolarHBondContact O-CB 3.49Å; E813-S816 PolarHBondContact O-N 3.04Å; E813-I817 WeakPolarHBondContact O-CG1 3.37Å; E813-I817 PolarHBondContact O-N 3.44Å |
| 814 | L | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 177.3 | -72.4 | 172.5 | 0 | 0 | 0 | 112.4 | L666 A669 F746 I789 I792 I810 I817 K818 | L666-L814 HydrophobicContact CB-CB 4.27Å; L666-L814 HydrophobicContact CD1-CB 4.06Å; A669-L814 HydrophobicContact CB-CD1 3.89Å; F746-L814 HydrophobicContact CE1-CD1 4.32Å; F746-L814 HydrophobicContact CZ-CD1 3.94Å; I789-L814 HydrophobicContact CD1-CD2 3.45Å; I789-L814 VanDerWaalsContact CD1-CD2 3.45Å; I792-L814 HydrophobicContact CD1-CD2 3.98Å; I792-L814 HydrophobicContact CD1-CG 4.26Å; I810-L814 HydrophobicContact CG2-CD1 3.78Å; I810-L814 HydrophobicContact CG2-CG 4.29Å; I810-L814 WeakPolarHBondContact O-CB 3.38Å; I810-L814 WeakPolarHBondContact O-CG 3.33Å; I810-L814 PolarHBondContact O-N 3Å; L814-I817 PolarHBondContact O-N 3.23Å; L814-K818 VanDerWaalsContact O-CB 3.3Å; L814-K818 WeakPolarHBondContact O-CB 3.4Å; L814-K818 PolarHBondContact O-N 3.23Å |
| 815 | S | 95.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 173.7 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | Q811 K812 E813 K819 | Q811-S815 WeakPolarHBondContact O-CB 3.46Å; Q811-S815 PolarHBondContact O-N 2.9Å; K812-S815 WeakPolarHBondContact O-CB 3.38Å; K812-S815 PolarHBondContact O-N 3.33Å; E813-S815 VanDerWaalsContact C-N 3.26Å; E813-S815 PolarHBondContact O-N 3.39Å; S815-K819 WeakPolarHBondContact O-CG 3.25Å; S815-K819 PolarHBondContact O-N 3.02Å |
| 816 | S | 95.2 | Very high | 91.9 | Very high | 58 Ų | 58 | 69 Ų | 69 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | K812 E813 K818 K819 K820 | K812-S816 PolarHBondContact O-N 3.12Å; E813-S816 WeakPolarHBondContact O-CA 3.4Å; E813-S816 WeakPolarHBondContact O-CB 3.49Å; E813-S816 PolarHBondContact O-N 3.04Å; S816-K818 VanDerWaalsContact C-N 3.33Å; S816-K818 PolarHBondContact O-N 3.37Å; S816-K819 WeakPolarHBondContact O-CB 3.48Å; S816-K819 PolarHBondContact O-N 2.86Å; S816-K819 VanDerWaalsContact O-N 3.14Å; S816-K820 PolarHBondContact O-N 2.92Å |
| 817 | I | 94.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.1 | -62 | 169.8 | 0 | 0 | 0 | 110.5 | V662 E788 I789 I792 E813 L814 K819 K820 V821 | V662-I817 HydrophobicContact CG1-CB 4.49Å; V662-I817 HydrophobicContact CG1-CG2 4.25Å; V662-I817 HydrophobicContact CG2-CG2 4.33Å; E788-I817 HydrophobicContact CB-CD1 3.83Å; E788-I817 HydrophobicContact CB-CG1 4.22Å; I789-I817 HydrophobicContact CD1-CD1 3.74Å; I789-I817 HydrophobicContact CD1-CG2 4.12Å; I789-I817 HydrophobicContact CG1-CD1 4.44Å; I789-I817 HydrophobicContact CG1-CG2 4.47Å; I792-I817 HydrophobicContact CD1-CD1 3.71Å; E813-I817 WeakPolarHBondContact O-CG1 3.37Å; E813-I817 PolarHBondContact O-N 3.44Å; L814-I817 PolarHBondContact O-N 3.23Å; I817-K819 PolarHBondContact O-N 3.48Å; I817-K820 PolarHBondContact O-N 3.24Å; I817-V821 HydrophobicContact CG2-CG2 4.07Å; I817-V821 WeakPolarHBondContact O-CG2 3.32Å; I817-V821 PolarHBondContact O-N 2.97Å |
| 818 | K | 92.6 | Very high | 91.1 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.2 | -37.8 | 177.5 | -173.5 | 179.1 | 172.3 | -175.3 | 0 | 112.2 | V662 L666 L814 S816 T822 | V662-K818 HydrophobicContact CG1-CB 3.81Å; V662-K818 HydrophobicContact CG1-CG 4.46Å; L666-K818 HydrophobicContact CD2-CD 3.69Å; L814-K818 VanDerWaalsContact O-CB 3.3Å; L814-K818 WeakPolarHBondContact O-CB 3.4Å; L814-K818 PolarHBondContact O-N 3.23Å; S816-K818 VanDerWaalsContact C-N 3.33Å; S816-K818 PolarHBondContact O-N 3.37Å; K818-T822 PolarHBondContact O-OG1 2.94Å; K818-T822 VanDerWaalsContact O-OG1 3.05Å |
| 819 | K | 90.6 | Very high | 90.7 | Very high | 155 Ų | 155 | 72.1 Ų | 72.1 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.8 | -34.8 | 176.1 | -69.6 | 175.6 | -177.1 | -179.6 | 0 | 112.4 | S815 S816 I817 T822 | S815-K819 WeakPolarHBondContact O-CG 3.25Å; S815-K819 PolarHBondContact O-N 3.02Å; S816-K819 WeakPolarHBondContact O-CB 3.48Å; S816-K819 PolarHBondContact O-N 2.86Å; S816-K819 VanDerWaalsContact O-N 3.14Å; I817-K819 PolarHBondContact O-N 3.48Å; K819-T822 VanDerWaalsContact C-OG1 3.23Å; K819-T822 WeakPolarHBondContact CA-OG1 3.34Å; K819-T822 WeakPolarHBondContact O-CB 3.34Å; K819-T822 PolarHBondContact O-OG1 2.83Å |
| 820 | K | 87.6 | Confident | 90.2 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.7 | -31.1 | 177.8 | -63 | -178.3 | -170.9 | 179.5 | 0 | 113.7 | E788 S816 I817 T822 | E788-K820 IonicContact OE1-NZ 2.9Å; E788-K820 PolarHBondContact OE1-NZ 2.94Å; E788-K820 IonicContact OE2-NZ 3.77Å; S816-K820 PolarHBondContact O-N 2.92Å; I817-K820 PolarHBondContact O-N 3.24Å; K820-T822 PolarHBondContact O-N 2.84Å |
| 821 | V | 79.6 | Confident | 89.5 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 9 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | T658 K659 I817 | T658-V821 HydrophobicContact CG2-CG1 4.27Å; K659-V821 HydrophobicContact CB-CG1 4.03Å; I817-V821 HydrophobicContact CG2-CG2 4.07Å; I817-V821 WeakPolarHBondContact O-CG2 3.32Å; I817-V821 PolarHBondContact O-N 2.97Å |
| 822 | T | 50.3 | Low | 88.8 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 83% | 0.828 | 40% | 0.397 | S | S | * | . | trans | -78.5 | 0 | 175.8 | -36 | 0 | 0 | 0 | 0 | 110.7 | K818 K819 K820 | K818-T822 PolarHBondContact O-OG1 2.94Å; K818-T822 VanDerWaalsContact O-OG1 3.05Å; K819-T822 VanDerWaalsContact C-OG1 3.23Å; K819-T822 WeakPolarHBondContact CA-OG1 3.34Å; K819-T822 WeakPolarHBondContact O-CB 3.34Å; K819-T822 PolarHBondContact O-OG1 2.83Å; K820-T822 PolarHBondContact O-N 2.84Å |
Retrieved 822 of 822 residues in 471.6 ms
(Link to these results)