| 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 | 64.7 | Low | 91.3 | Very high | 232 Ų | 232 | 72.6 Ų | 72.6 | 100% | 1.143 | 37% | 0.372 | S | S | * | . | 0 | 152.9 | 0 | -59.3 | 174 | -171 | 0 | 0 | 108.6 | |||||
| 2 | P | 75 | Confident | 91.7 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 57% | 0.571 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 145.7 | 166.4 | -17.9 | 31.5 | 0 | 0 | 0 | 110.1 | P22 | P2-P22 HydrophobicContact CB-CG 3.96Š|
| 3 | K | 86.9 | Confident | 91.8 | Very high | 180 Ų | 180 | 68.6 Ų | 68.6 | 78% | 0.783 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 132.4 | 169.7 | -72.8 | -171.1 | 176.3 | -175 | 0 | 109 | P22 | K3-P22 WeakPolarHBondContact O-CD 3.42Å; K3-P22 VanDerWaalsContact O-CG 3.23Å; K3-P22 WeakPolarHBondContact O-CG 3.35Å |
| 4 | P | 93 | Very high | 92 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 51% | 0.506 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -63 | 155.5 | 170.7 | 26.4 | -32.9 | 0 | 0 | 0 | 111 | A19 | P4-A19 HydrophobicContact CB-CB 3.99Š|
| 5 | I | 95.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 69.1 Ų | 69.1 | 22% | 0.221 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.7 | 178.2 | -56.4 | 176.1 | 0 | 0 | 0 | 107.6 | A19 I20 P22 T66 L76 | I5-A19 WeakPolarHBondContact O-CA 3.45Å; I5-I20 HydrophobicContact CB-CG1 4.04Å; I5-I20 PolarHBondContact N-O 2.86Å; I5-I20 PolarHBondContact O-N 3.18Å; I5-P22 HydrophobicContact CD1-CB 4.24Å; I5-P22 HydrophobicContact CD1-CG 4.16Å; I5-P22 HydrophobicContact CG1-CG 4.39Å; I5-T66 HydrophobicContact CD1-CG2 3.39Å; I5-L76 HydrophobicContact CG2-CD1 3.65Å; I5-L76 HydrophobicContact CG2-CG 4.1Å |
| 6 | N | 97.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.3 | 177.9 | -54.2 | -34.2 | 0 | 0 | 0 | 110.1 | N74 P75 L76 | N6-N74 PolarHBondContact ND2-OD1 2.93Å; N6-P75 HydrophobicContact CB-CB 3.87Å; N6-P75 WeakPolarHBondContact O-CA 3.44Å; N6-L76 PolarHBondContact O-N 2.88Å |
| 7 | V | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145.7 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | E17 F18 I20 L29 L76 F78 | V7-E17 WeakPolarHBondContact O-CA 3.45Å; V7-F18 HydrophobicContact CG2-CD1 4.34Å; V7-F18 HydrophobicContact CG2-CD2 3.58Å; V7-F18 HydrophobicContact CG2-CE1 4.23Å; V7-F18 HydrophobicContact CG2-CE2 3.45Å; V7-F18 VanDerWaalsContact CG2-CE2 3.45Å; V7-F18 HydrophobicContact CG2-CG 4.05Å; V7-F18 HydrophobicContact CG2-CZ 3.8Å; V7-F18 WeakPolarHBondContact CG2-O 3.49Å; V7-F18 PolarHBondContact N-O 2.93Å; V7-F18 PolarHBondContact O-N 3.24Å; V7-F18 VanDerWaalsContact O-N 3.16Å; V7-I20 HydrophobicContact CG1-CD1 3.76Å; V7-I20 HydrophobicContact CG1-CG1 3.89Å; V7-I20 HydrophobicContact CG1-CG2 4.25Å; V7-I20 HydrophobicContact CG2-CG2 4.05Å; V7-L29 HydrophobicContact CG2-CD1 3.95Å; V7-L76 WeakPolarHBondContact CA-O 3.4Å; V7-L76 HydrophobicContact CG1-CB 4.29Å; V7-L76 HydrophobicContact CG1-CD1 4.49Å; V7-F78 HydrophobicContact CB-CD2 4.34Å; V7-F78 HydrophobicContact CB-CE2 4.23Å; V7-F78 HydrophobicContact CG1-CE2 3.99Å |
| 8 | R | 98.5 | Very high | 93.2 | Very high | 72 Ų | 72 | 67.6 Ų | 67.6 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.7 | 166 | -178.2 | -177.8 | -64.6 | -162 | 5.3 | 108.1 | E15 L16 E17 P75 L76 F78 | R8-E15 WeakPolarHBondContact CD-OE2 3.34Å; R8-E15 IonicContact CZ-OE2 2.63Å; R8-E15 IonicContact NE-OE2 2.66Å; R8-E15 IonicContact NH1-OE2 2.61Å; R8-E15 PolarHBondContact NH1-OE2 2.96Å; R8-L16 CarbonylContact C-O 3.57Å; R8-L16 WeakPolarHBondContact CA-O 3.37Å; R8-E17 HydrophobicContact CB-CG 4.19Å; R8-E17 HydrophobicContact CG-CG 4.09Å; R8-E17 IonicContact CZ-OE1 3.74Å; R8-E17 IonicContact NE-OE1 2.68Å; R8-E17 PolarHBondContact NE-OE1 2.97Å; R8-E17 IonicContact NH2-OE1 3.96Å; R8-E17 PolarHBondContact NH2-OE1 3.36Å; R8-P75 HydrophobicContact CB-CB 4.19Å; R8-P75 HydrophobicContact CB-CG 3.84Å; R8-L76 PolarHBondContact N-O 3.25Å; R8-F78 PolarHBondContact O-N 3.39Å |
| 9 | V | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 109.7 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | L16 F18 L29 V33 L47 F78 F80 | V9-L16 HydrophobicContact CB-CB 4.41Å; V9-L16 PolarHBondContact N-O 3.18Å; V9-L16 PolarHBondContact O-N 2.85Å; V9-F18 HydrophobicContact CG2-CE1 4.2Å; V9-F18 HydrophobicContact CG2-CZ 4.18Å; V9-L29 HydrophobicContact CG2-CD1 4.42Å; V9-V33 HydrophobicContact CB-CG2 3.99Å; V9-V33 HydrophobicContact CG1-CG1 4.04Å; V9-V33 HydrophobicContact CG1-CG2 3.79Å; V9-V33 HydrophobicContact CG2-CG2 3.74Å; V9-L47 HydrophobicContact CG1-CD2 3.48Å; V9-L47 VanDerWaalsContact CG1-CD2 3.48Å; V9-L47 HydrophobicContact CG2-CD2 4.47Å; V9-F78 WeakPolarHBondContact CA-O 3.45Å; V9-F78 HydrophobicContact CG1-CB 4.48Å; V9-F78 HydrophobicContact CG2-CB 4.23Å; V9-F80 HydrophobicContact CG1-CB 3.9Å |
| 10 | T | 98.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.3 | 178.1 | -49.1 | 0 | 0 | 0 | 0 | 109.6 | E15 F78 K79 F80 R81 | T10-E15 HydrophobicContact CG2-CG 4.12Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.45Å; T10-E15 PolarHBondContact OG1-OE1 3.25Å; T10-F78 PolarHBondContact N-O 3.18Å; T10-K79 CarbonylContact O-C 3.48Å; T10-K79 WeakPolarHBondContact O-CA 3.33Å; T10-F80 PolarHBondContact O-N 2.96Å; T10-R81 PolarHBondContact O-NH1 3.14Å; T10-R81 VanDerWaalsContact O-NH1 3.08Å |
| 11 | T | 97.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | trans | -80.2 | -149.3 | 171.5 | 68.5 | 0 | 0 | 0 | 0 | 109.4 | D13 A14 V37 F80 R81 | T11-D13 PolarHBondContact OG1-N 3.46Å; T11-D13 PolarHBondContact OG1-OD1 2.93Å; T11-A14 PolarHBondContact N-O 3.21Å; T11-A14 PolarHBondContact OG1-N 2.98Å; T11-A14 PolarHBondContact OG1-O 3.06Å; T11-V37 HydrophobicContact CG2-CG2 4.12Å; T11-F80 HydrophobicContact CG2-CB 4.23Å; T11-F80 HydrophobicContact CG2-CD1 4.31Å; T11-R81 VanDerWaalsContact C-NH1 3.3Å; T11-R81 VanDerWaalsContact O-CZ 3.32Å; T11-R81 PolarHBondContact O-NH1 3.5Å; T11-R81 PolarHBondContact O-NH2 3.24Å; T11-R81 VanDerWaalsContact O-NH2 3.13Å | ||
| 12 | M | 96.9 | Very high | 95 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 17% | 0.172 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -88.8 | -13.1 | 165.7 | -66.3 | -55.6 | -45.6 | 0 | 0 | 113.3 | R81 L101 L104 Q105 E108 | M12-R81 PolarHBondContact SD-NE 3.26Å; M12-R81 PolarHBondContact SD-NH2 2.96Å; M12-R81 VanDerWaalsContact SD-NH2 3.35Å; M12-L101 HydrophobicContact CB-CD2 3.85Å; M12-L101 HydrophobicContact CG-CD2 4.17Å; M12-L104 HydrophobicContact CB-CB 3.55Å; M12-L104 HydrophobicContact CB-CD1 3.76Å; M12-L104 HydrophobicContact CB-CG 4.32Å; M12-L104 HydrophobicContact CE-CB 4.08Å; M12-L104 HydrophobicContact CG-CB 3.91Å; M12-Q105 HydrophobicContact CG-CB 4.09Å; M12-Q105 HydrophobicContact SD-CB 3.77Å; M12-Q105 HydrophobicContact SD-CG 4.26Å; M12-E108 HydrophobicContact CE-CB 3.97Å; M12-E108 HydrophobicContact CE-CG 4.49Å; M12-E108 WeakPolarHBondContact CE-OE2 3.43Å |
| 13 | D | 93 | Very high | 96 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 31% | 0.31 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -144.1 | -5.4 | -163.8 | 65.4 | -32.7 | 0 | 0 | 0 | 114.9 | T11 R100 L101 L104 | T11-D13 PolarHBondContact OG1-N 3.46Å; T11-D13 PolarHBondContact OG1-OD1 2.93Å; D13-R100 IonicContact OD2-CZ 2.82Å; D13-R100 IonicContact OD2-NE 3.8Å; D13-R100 IonicContact OD2-NH1 3.72Å; D13-R100 PolarHBondContact OD2-NH1 3.5Å; D13-R100 IonicContact OD2-NH2 2.77Å; D13-R100 PolarHBondContact OD2-NH2 2.92Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.24Å; D13-L104 HydrophobicContact CB-CD1 3.87Å |
| 14 | A | 94.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | trans | -147.2 | 156.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T11 | T11-A14 PolarHBondContact N-O 3.21Å; T11-A14 PolarHBondContact OG1-N 2.98Å; T11-A14 PolarHBondContact OG1-O 3.06Å | ||
| 15 | E | 96.9 | Very high | 96.7 | Very high | 105 Ų | 105 | 47.1 Ų | 47.1 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.4 | 164.5 | -54.6 | -142 | 118.7 | 0 | 0 | 109.3 | R8 T10 | R8-E15 WeakPolarHBondContact CD-OE2 3.34Å; R8-E15 IonicContact CZ-OE2 2.63Å; R8-E15 IonicContact NE-OE2 2.66Å; R8-E15 IonicContact NH1-OE2 2.61Å; R8-E15 PolarHBondContact NH1-OE2 2.96Å; T10-E15 HydrophobicContact CG2-CG 4.12Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.45Å; T10-E15 PolarHBondContact OG1-OE1 3.25Å |
| 16 | L | 96.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.3 | 176.3 | -53.8 | 179.8 | 0 | 0 | 0 | 109.1 | R8 V9 F18 V33 T36 V37 | R8-L16 CarbonylContact C-O 3.57Å; R8-L16 WeakPolarHBondContact CA-O 3.37Å; V9-L16 HydrophobicContact CB-CB 4.41Å; V9-L16 PolarHBondContact N-O 3.18Å; V9-L16 PolarHBondContact O-N 2.85Å; L16-F18 HydrophobicContact CB-CD1 4.23Å; L16-F18 HydrophobicContact CB-CE1 3.99Å; L16-V33 HydrophobicContact CD1-CG1 4.18Å; L16-V33 HydrophobicContact CD1-CG2 4.47Å; L16-T36 HydrophobicContact CD1-CG2 3.96Å; L16-T36 HydrophobicContact CD2-CG2 3.79Å; L16-V37 HydrophobicContact CD1-CG2 4.17Å |
| 17 | E | 97.1 | Very high | 96.8 | Very high | 115 Ų | 115 | 43.8 Ų | 43.8 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.7 | 171.5 | -67.1 | -156.6 | 148.6 | 0 | 0 | 111.2 | V7 R8 | V7-E17 WeakPolarHBondContact O-CA 3.45Å; R8-E17 HydrophobicContact CB-CG 4.19Å; R8-E17 HydrophobicContact CG-CG 4.09Å; R8-E17 IonicContact CZ-OE1 3.74Å; R8-E17 IonicContact NE-OE1 2.68Å; R8-E17 PolarHBondContact NE-OE1 2.97Å; R8-E17 IonicContact NH2-OE1 3.96Å; R8-E17 PolarHBondContact NH2-OE1 3.36Å |
| 18 | F | 97.3 | Very high | 96.8 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 173 | 176.8 | 51.9 | -88.7 | 0 | 0 | 0 | 111.6 | V7 V9 L16 I20 L29 Q32 V33 | V7-F18 HydrophobicContact CG2-CD1 4.34Å; V7-F18 HydrophobicContact CG2-CD2 3.58Å; V7-F18 HydrophobicContact CG2-CE1 4.23Å; V7-F18 HydrophobicContact CG2-CE2 3.45Å; V7-F18 VanDerWaalsContact CG2-CE2 3.45Å; V7-F18 HydrophobicContact CG2-CG 4.05Å; V7-F18 HydrophobicContact CG2-CZ 3.8Å; V7-F18 WeakPolarHBondContact CG2-O 3.49Å; V7-F18 PolarHBondContact N-O 2.93Å; V7-F18 PolarHBondContact O-N 3.24Å; V7-F18 VanDerWaalsContact O-N 3.16Å; V9-F18 HydrophobicContact CG2-CE1 4.2Å; V9-F18 HydrophobicContact CG2-CZ 4.18Å; L16-F18 HydrophobicContact CB-CD1 4.23Å; L16-F18 HydrophobicContact CB-CE1 3.99Å; F18-I20 HydrophobicContact CD2-CG2 4.02Å; F18-I20 HydrophobicContact CE2-CG2 3.85Å; F18-L29 HydrophobicContact CE2-CD1 3.51Å; F18-L29 HydrophobicContact CZ-CD1 3.54Å; F18-Q32 VanDerWaalsContact CD2-NE2 3.27Å; F18-Q32 HydrophobicContact CE2-CG 4.07Å; F18-Q32 VanDerWaalsContact CE2-OE1 3.24Å; F18-Q32 HydrophobicContact CZ-CG 4.11Å; F18-V33 HydrophobicContact CE1-CG2 4.37Å; F18-V33 HydrophobicContact CZ-CG2 4.05Å |
| 19 | A | 96.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P4 I5 | P4-A19 HydrophobicContact CB-CB 3.99Å; I5-A19 WeakPolarHBondContact O-CA 3.45Å |
| 20 | I | 96.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 163.6 | 169.8 | 68.8 | 172.8 | 0 | 0 | 0 | 111.5 | I5 V7 F18 T24 L29 V65 | I5-I20 HydrophobicContact CB-CG1 4.04Å; I5-I20 PolarHBondContact N-O 2.86Å; I5-I20 PolarHBondContact O-N 3.18Å; V7-I20 HydrophobicContact CG1-CD1 3.76Å; V7-I20 HydrophobicContact CG1-CG1 3.89Å; V7-I20 HydrophobicContact CG1-CG2 4.25Å; V7-I20 HydrophobicContact CG2-CG2 4.05Å; F18-I20 HydrophobicContact CD2-CG2 4.02Å; F18-I20 HydrophobicContact CE2-CG2 3.85Å; I20-T24 HydrophobicContact CB-CG2 4.06Å; I20-T24 HydrophobicContact CD1-CG2 4.33Å; I20-T24 HydrophobicContact CG2-CG2 4.23Å; I20-L29 HydrophobicContact CG2-CD1 4.09Å; I20-V65 HydrophobicContact CD1-CB 3.98Å; I20-V65 HydrophobicContact CD1-CG1 4.07Å; I20-V65 HydrophobicContact CD1-CG2 4.07Å |
| 21 | Q | 96.2 | Very high | 96.8 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 25% | 0.246 | S | C | . | . | trans | -88.7 | 152.5 | 174.3 | -65.2 | -64.5 | -25.2 | 0 | 0 | 110.7 | N23 T24 | Q21-N23 WeakPolarHBondContact CB-OD1 3.31Å; Q21-N23 PolarHBondContact O-N 3.03Å; Q21-T24 PolarHBondContact N-OG1 3.4Å; Q21-T24 VanDerWaalsContact N-OG1 3.13Å; Q21-T24 VanDerWaalsContact O-CB 3.26Å; Q21-T24 WeakPolarHBondContact O-CB 3.28Å; Q21-T24 PolarHBondContact O-N 3.35Å; Q21-T24 PolarHBondContact O-OG1 3.3Å; Q21-T24 VanDerWaalsContact O-OG1 3.09Å | ||
| 22 | P | 94 | Very high | 96.7 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 29% | 0.292 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.2 | -179.7 | -27.4 | 37 | 0 | 0 | 0 | 115.7 | P2 K3 I5 T66 | P2-P22 HydrophobicContact CB-CG 3.96Å; K3-P22 WeakPolarHBondContact O-CD 3.42Å; K3-P22 VanDerWaalsContact O-CG 3.23Å; K3-P22 WeakPolarHBondContact O-CG 3.35Å; I5-P22 HydrophobicContact CD1-CB 4.24Å; I5-P22 HydrophobicContact CD1-CG 4.16Å; I5-P22 HydrophobicContact CG1-CG 4.39Å; P22-T66 WeakPolarHBondContact O-CG2 3.48Å; P22-T66 PolarHBondContact O-OG1 3.5Å |
| 23 | N | 95.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -6.5 | 174.8 | 65.2 | -30.8 | 0 | 0 | 0 | 114.5 | Q21 T25 | Q21-N23 WeakPolarHBondContact CB-OD1 3.31Å; Q21-N23 PolarHBondContact O-N 3.03Å; N23-T25 PolarHBondContact O-N 3.13Å |
| 24 | T | 97.3 | Very high | 97 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | trans | -57.5 | 131.9 | -176.6 | -65.6 | 0 | 0 | 0 | 0 | 112 | I20 Q21 Q28 L29 K64 V65 | I20-T24 HydrophobicContact CB-CG2 4.06Å; I20-T24 HydrophobicContact CD1-CG2 4.33Å; I20-T24 HydrophobicContact CG2-CG2 4.23Å; Q21-T24 PolarHBondContact N-OG1 3.4Å; Q21-T24 VanDerWaalsContact N-OG1 3.13Å; Q21-T24 VanDerWaalsContact O-CB 3.26Å; Q21-T24 WeakPolarHBondContact O-CB 3.28Å; Q21-T24 PolarHBondContact O-N 3.35Å; Q21-T24 PolarHBondContact O-OG1 3.3Å; Q21-T24 VanDerWaalsContact O-OG1 3.09Å; T24-Q28 HydrophobicContact CG2-CB 3.82Å; T24-L29 HydrophobicContact CG2-CB 4.4Å; T24-K64 WeakPolarHBondContact O-CA 3.38Å; T24-V65 PolarHBondContact O-N 3.18Å | ||
| 25 | T | 98.1 | Very high | 97 | Very high | 41 Ų | 41 | 52 Ų | 52 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 161.6 | 176.8 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | N23 K27 Q28 L29 K63 | N23-T25 PolarHBondContact O-N 3.13Å; T25-K27 PolarHBondContact O-N 3.26Å; T25-Q28 PolarHBondContact O-N 3.01Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.44Å; T25-Q28 PolarHBondContact OG1-N 3.14Å; T25-Q28 VanDerWaalsContact OG1-N 3.11Å; T25-Q28 PolarHBondContact OG1-OE1 3.04Å; T25-L29 PolarHBondContact O-N 3.47Å; T25-K63 CarbonylContact C-O 3.56Å |
| 26 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F30 L61 K63 | G26-F30 WeakPolarHBondContact O-CB 3.43Å; G26-F30 PolarHBondContact O-N 3.31Å; G26-L61 CarbonylContact C-O 3.57Å; G26-L61 PolarHBondContact N-O 3.26Å; G26-K63 PolarHBondContact N-O 3.02Å |
| 27 | K | 97.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -55.1 | 171.7 | -171.2 | 86.7 | -151.1 | -47.2 | 0 | 109.9 | T25 L29 F30 D31 L61 E488 | T25-K27 PolarHBondContact O-N 3.26Å; K27-L29 VanDerWaalsContact C-N 3.32Å; K27-L29 PolarHBondContact O-N 3.43Å; K27-F30 CarbonylContact O-C 3.59Å; K27-F30 PolarHBondContact O-N 3.34Å; K27-D31 WeakPolarHBondContact CE-OD1 3.44Å; K27-D31 WeakPolarHBondContact CG-OD2 3.48Å; K27-D31 IonicContact NZ-OD1 3.68Å; K27-D31 PolarHBondContact NZ-OD1 3.22Å; K27-D31 VanDerWaalsContact NZ-OD1 3.15Å; K27-D31 IonicContact NZ-OD2 3.04Å; K27-D31 PolarHBondContact NZ-OD2 3.44Å; K27-D31 WeakPolarHBondContact O-CB 3.23Å; K27-D31 PolarHBondContact O-N 2.87Å; K27-L61 HydrophobicContact CB-CB 4.05Å; K27-L61 HydrophobicContact CD-CB 4.27Å; K27-L61 HydrophobicContact CD-CD1 4.23Å; K27-L61 PolarHBondContact N-O 3.39Å; K27-E488 WeakPolarHBondContact CE-OE1 3.47Å; K27-E488 WeakPolarHBondContact CE-OE2 3.32Å; K27-E488 IonicContact NZ-OE1 3.83Å; K27-E488 PolarHBondContact NZ-OE1 3.22Å; K27-E488 IonicContact NZ-OE2 3.85Å; K27-E488 PolarHBondContact NZ-OE2 2.59Å |
| 28 | Q | 97.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -40.3 | -179.8 | -74 | 170.3 | -30.9 | 0 | 0 | 113.5 | T24 T25 Q32 | T24-Q28 HydrophobicContact CG2-CB 3.82Å; T25-Q28 PolarHBondContact O-N 3.01Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.44Å; T25-Q28 PolarHBondContact OG1-N 3.14Å; T25-Q28 VanDerWaalsContact OG1-N 3.11Å; T25-Q28 PolarHBondContact OG1-OE1 3.04Å; Q28-Q32 WeakPolarHBondContact O-CB 3.26Å; Q28-Q32 PolarHBondContact O-N 2.98Å; Q28-Q32 VanDerWaalsContact O-N 3.16Å |
| 29 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.9 | 174.9 | 59.6 | 0 | 0 | 0 | 112 | V7 V9 F18 I20 T24 T25 K27 V33 L47 L59 V65 F78 | V7-L29 HydrophobicContact CG2-CD1 3.95Å; V9-L29 HydrophobicContact CG2-CD1 4.42Å; F18-L29 HydrophobicContact CE2-CD1 3.51Å; F18-L29 HydrophobicContact CZ-CD1 3.54Å; I20-L29 HydrophobicContact CG2-CD1 4.09Å; T24-L29 HydrophobicContact CG2-CB 4.4Å; T25-L29 PolarHBondContact O-N 3.47Å; K27-L29 VanDerWaalsContact C-N 3.32Å; K27-L29 PolarHBondContact O-N 3.43Å; L29-V33 VanDerWaalsContact O-CG2 3.32Å; L29-V33 WeakPolarHBondContact O-CG2 3.31Å; L29-V33 PolarHBondContact O-N 2.98Å; L29-L47 HydrophobicContact CB-CD1 4.45Å; L29-L47 HydrophobicContact CD2-CD1 3.98Å; L29-L47 HydrophobicContact CG-CD1 3.71Å; L29-L59 HydrophobicContact CD2-CD2 3.95Å; L29-V65 HydrophobicContact CB-CG2 4.11Å; L29-V65 HydrophobicContact CD2-CG1 4.23Å; L29-V65 HydrophobicContact CD2-CG2 3.81Å; L29-F78 HydrophobicContact CD2-CD2 4.25Å; L29-F78 HydrophobicContact CD2-CE1 4.38Å; L29-F78 HydrophobicContact CD2-CE2 3.96Å; L29-F78 HydrophobicContact CD2-CZ 4.05Å |
| 30 | F | 98.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.2 | -46.8 | 178.2 | 177.5 | -84.8 | 0 | 0 | 0 | 111.9 | G26 K27 Q32 V33 V34 V42 F45 L47 L61 F80 | G26-F30 WeakPolarHBondContact O-CB 3.43Å; G26-F30 PolarHBondContact O-N 3.31Å; K27-F30 CarbonylContact O-C 3.59Å; K27-F30 PolarHBondContact O-N 3.34Å; F30-Q32 VanDerWaalsContact C-N 3.27Å; F30-Q32 PolarHBondContact O-N 3.46Å; F30-V33 WeakPolarHBondContact O-CB 3.31Å; F30-V33 PolarHBondContact O-N 2.9Å; F30-V34 HydrophobicContact CD1-CG1 4.17Å; F30-V34 HydrophobicContact CD1-CG2 4.42Å; F30-V34 HydrophobicContact CE1-CG1 3.7Å; F30-V34 HydrophobicContact CE1-CG2 4.24Å; F30-V34 HydrophobicContact CE2-CG1 4.27Å; F30-V34 HydrophobicContact CZ-CG1 3.76Å; F30-V34 PolarHBondContact O-N 2.95Å; F30-V42 HydrophobicContact CE1-CB 3.73Å; F30-V42 HydrophobicContact CE1-CG1 3.82Å; F30-V42 HydrophobicContact CZ-CB 3.91Å; F30-V42 HydrophobicContact CZ-CG1 4.26Å; F30-F45 HydrophobicContact CE2-CB 4.15Å; F30-F45 HydrophobicContact CZ-CB 4.31Å; F30-L47 HydrophobicContact CB-CD1 4.08Å; F30-L47 HydrophobicContact CD2-CG 4.29Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.24Å; F30-L61 HydrophobicContact CG-CD2 3.98Å; F30-F80 HydrophobicContact CD2-CE2 4.18Å; F30-F80 HydrophobicContact CE2-CD2 4.45Å; F30-F80 AromaticContact CE2-CE2 3.68Å; F30-F80 HydrophobicContact CE2-CE2 3.68Å; F30-F80 HydrophobicContact CZ-CE2 4.23Å |
| 31 | D | 97.7 | Very high | 96.6 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -39 | 178.6 | -68.4 | 5.6 | 0 | 0 | 0 | 111.3 | K27 K35 | K27-D31 WeakPolarHBondContact CE-OD1 3.44Å; K27-D31 WeakPolarHBondContact CG-OD2 3.48Å; K27-D31 IonicContact NZ-OD1 3.68Å; K27-D31 PolarHBondContact NZ-OD1 3.22Å; K27-D31 VanDerWaalsContact NZ-OD1 3.15Å; K27-D31 IonicContact NZ-OD2 3.04Å; K27-D31 PolarHBondContact NZ-OD2 3.44Å; K27-D31 WeakPolarHBondContact O-CB 3.23Å; K27-D31 PolarHBondContact O-N 2.87Å; D31-K35 VanDerWaalsContact O-CB 3.26Å; D31-K35 WeakPolarHBondContact O-CB 3.09Å; D31-K35 VanDerWaalsContact O-CG 3.22Å; D31-K35 WeakPolarHBondContact O-CG 3.37Å; D31-K35 PolarHBondContact O-N 2.87Å |
| 32 | Q | 97.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 173.4 | -176.2 | 170 | -0.7 | 0 | 0 | 111.6 | F18 Q28 F30 T36 | F18-Q32 VanDerWaalsContact CD2-NE2 3.27Å; F18-Q32 HydrophobicContact CE2-CG 4.07Å; F18-Q32 VanDerWaalsContact CE2-OE1 3.24Å; F18-Q32 HydrophobicContact CZ-CG 4.11Å; Q28-Q32 WeakPolarHBondContact O-CB 3.26Å; Q28-Q32 PolarHBondContact O-N 2.98Å; Q28-Q32 VanDerWaalsContact O-N 3.16Å; F30-Q32 VanDerWaalsContact C-N 3.27Å; F30-Q32 PolarHBondContact O-N 3.46Å; Q32-T36 WeakPolarHBondContact O-CB 3.32Å; Q32-T36 PolarHBondContact O-N 3.31Å; Q32-T36 PolarHBondContact O-OG1 3.2Å; Q32-T36 VanDerWaalsContact O-OG1 3.05Å |
| 33 | V | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -50.7 | 178.8 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | V9 L16 F18 L29 F30 K35 T36 V37 L47 F80 | V9-V33 HydrophobicContact CB-CG2 3.99Å; V9-V33 HydrophobicContact CG1-CG1 4.04Å; V9-V33 HydrophobicContact CG1-CG2 3.79Å; V9-V33 HydrophobicContact CG2-CG2 3.74Å; L16-V33 HydrophobicContact CD1-CG1 4.18Å; L16-V33 HydrophobicContact CD1-CG2 4.47Å; F18-V33 HydrophobicContact CE1-CG2 4.37Å; F18-V33 HydrophobicContact CZ-CG2 4.05Å; L29-V33 VanDerWaalsContact O-CG2 3.32Å; L29-V33 WeakPolarHBondContact O-CG2 3.31Å; L29-V33 PolarHBondContact O-N 2.98Å; F30-V33 WeakPolarHBondContact O-CB 3.31Å; F30-V33 PolarHBondContact O-N 2.9Å; V33-K35 PolarHBondContact O-N 2.92Å; V33-T36 PolarHBondContact O-N 2.87Å; V33-V37 WeakPolarHBondContact O-CB 3.47Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.25Å; V33-V37 PolarHBondContact O-N 3.5Å; V33-L47 HydrophobicContact CG2-CD2 4.48Å; V33-F80 HydrophobicContact CG1-CB 4.3Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.11Å; V33-F80 HydrophobicContact CG1-CG 3.99Å |
| 34 | V | 96.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.2 | -33.9 | -175.9 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | F30 V37 G38 L39 V42 F80 | F30-V34 HydrophobicContact CD1-CG1 4.17Å; F30-V34 HydrophobicContact CD1-CG2 4.42Å; F30-V34 HydrophobicContact CE1-CG1 3.7Å; F30-V34 HydrophobicContact CE1-CG2 4.24Å; F30-V34 HydrophobicContact CE2-CG1 4.27Å; F30-V34 HydrophobicContact CZ-CG1 3.76Å; F30-V34 PolarHBondContact O-N 2.95Å; V34-V37 CarbonylContact O-C 3.6Å; V34-V37 PolarHBondContact O-N 2.99Å; V34-G38 PolarHBondContact O-N 2.72Å; V34-L39 HydrophobicContact CB-CB 4.42Å; V34-L39 WeakPolarHBondContact CB-O 3.45Å; V34-L39 HydrophobicContact CG1-CD2 4.39Å; V34-L39 PolarHBondContact O-N 2.99Å; V34-V42 HydrophobicContact CB-CG1 4.22Å; V34-V42 HydrophobicContact CG1-CG1 4.21Å; V34-V42 HydrophobicContact CG2-CG1 3.89Å; V34-F80 HydrophobicContact CG1-CE2 3.56Å; V34-F80 HydrophobicContact CG1-CZ 3.65Å |
| 35 | K | 95.8 | Very high | 96.8 | Very high | 172 Ų | 172 | 41 Ų | 41 | 75% | 0.748 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67 | -38.8 | 171.9 | -72.7 | -179.8 | 179.6 | -169.9 | 0 | 112.6 | D31 V33 V37 G38 | D31-K35 VanDerWaalsContact O-CB 3.26Å; D31-K35 WeakPolarHBondContact O-CB 3.09Å; D31-K35 VanDerWaalsContact O-CG 3.22Å; D31-K35 WeakPolarHBondContact O-CG 3.37Å; D31-K35 PolarHBondContact O-N 2.87Å; V33-K35 PolarHBondContact O-N 2.92Å; K35-V37 VanDerWaalsContact C-N 3.3Å; K35-V37 PolarHBondContact O-N 2.75Å; K35-G38 PolarHBondContact O-N 3.27Å |
| 36 | T | 95.3 | Very high | 96.8 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 55% | 0.546 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.4 | -29.5 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | L16 Q32 V33 | L16-T36 HydrophobicContact CD1-CG2 3.96Å; L16-T36 HydrophobicContact CD2-CG2 3.79Å; Q32-T36 WeakPolarHBondContact O-CB 3.32Å; Q32-T36 PolarHBondContact O-N 3.31Å; Q32-T36 PolarHBondContact O-OG1 3.2Å; Q32-T36 VanDerWaalsContact O-OG1 3.05Å; V33-T36 PolarHBondContact O-N 2.87Å |
| 37 | V | 94.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -89.6 | -13.8 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 113 | T11 L16 V33 V34 K35 L39 I97 L101 | T11-V37 HydrophobicContact CG2-CG2 4.12Å; L16-V37 HydrophobicContact CD1-CG2 4.17Å; V33-V37 WeakPolarHBondContact O-CB 3.47Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.25Å; V33-V37 PolarHBondContact O-N 3.5Å; V34-V37 CarbonylContact O-C 3.6Å; V34-V37 PolarHBondContact O-N 2.99Å; K35-V37 VanDerWaalsContact C-N 3.3Å; K35-V37 PolarHBondContact O-N 2.75Å; V37-L39 HydrophobicContact CG1-CB 4.28Å; V37-I97 HydrophobicContact CG1-CD1 3.98Å; V37-I97 HydrophobicContact CG1-CG1 3.59Å; V37-L101 HydrophobicContact CG1-CD1 4.36Å |
| 38 | G | 94.8 | Very high | 96.8 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 19.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V34 K35 Q95 | V34-G38 PolarHBondContact O-N 2.72Å; K35-G38 PolarHBondContact O-N 3.27Å; G38-Q95 PolarHBondContact O-NE2 3.35Å |
| 39 | L | 96.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | trans | -97.3 | 127.2 | -173.2 | -169.9 | 147 | 0 | 0 | 0 | 111.8 | V34 V37 V42 F45 F80 I97 L101 | V34-L39 HydrophobicContact CB-CB 4.42Å; V34-L39 WeakPolarHBondContact CB-O 3.45Å; V34-L39 HydrophobicContact CG1-CD2 4.39Å; V34-L39 PolarHBondContact O-N 2.99Å; V37-L39 HydrophobicContact CG1-CB 4.28Å; L39-V42 HydrophobicContact CD2-CG1 4.32Å; L39-F45 HydrophobicContact CD1-CD2 4.07Å; L39-F45 HydrophobicContact CD1-CE2 3.57Å; L39-F45 HydrophobicContact CD1-CZ 3.84Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.98Å; L39-F45 HydrophobicContact CG-CE2 4.37Å; L39-F80 HydrophobicContact CD1-CE1 4.43Å; L39-I97 HydrophobicContact CB-CG2 4.26Å; L39-I97 HydrophobicContact CD1-CG2 4.44Å; L39-I97 HydrophobicContact CG-CG2 4.49Å; L39-L101 HydrophobicContact CD1-CD1 3.85Å | ||
| 40 | R | 95.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 33% | 0.328 | 20% | 0.203 | S | C | . | . | trans | -107.5 | -22.9 | 177.9 | -63.8 | 177.3 | 65.3 | 172.1 | 6 | 113.2 | V42 E301 M305 | R40-V42 PolarHBondContact O-N 2.84Å; R40-E301 IonicContact CZ-OE1 2.66Å; R40-E301 IonicContact NE-OE1 3.14Å; R40-E301 PolarHBondContact NE-OE1 3.4Å; R40-E301 IonicContact NH2-OE1 2.8Å; R40-E301 PolarHBondContact NH2-OE1 2.65Å; R40-M305 HydrophobicContact CB-CE 3.62Å; R40-M305 HydrophobicContact CB-SD 3.93Å | ||
| 41 | E | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -76.1 | 47.3 | 178.2 | -61 | 171.7 | 83 | 0 | 0 | 112.7 | W43 F44 F45 I94 Q95 T98 M305 | E41-W43 HydrophobicContact CB-CH2 4.32Å; E41-W43 HydrophobicContact CB-CZ2 3.9Å; E41-W43 HydrophobicContact CG-CH2 4.13Å; E41-W43 HydrophobicContact CG-CZ2 3.81Å; E41-W43 PolarHBondContact O-N 3.31Å; E41-W43 VanDerWaalsContact O-N 3.07Å; E41-F44 HydrophobicContact CB-CD2 4.14Å; E41-F44 HydrophobicContact CB-CE2 4.41Å; E41-F44 PolarHBondContact O-N 2.96Å; E41-F45 WeakPolarHBondContact O-CD2 3.41Å; E41-I94 PolarHBondContact OE1-N 2.8Å; E41-I94 PolarHBondContact OE2-N 3.15Å; E41-Q95 VanDerWaalsContact OE2-CB 3.28Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.41Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.36Å; E41-Q95 PolarHBondContact OE2-N 3.12Å; E41-T98 HydrophobicContact CB-CG2 4.15Å; E41-T98 WeakPolarHBondContact OE2-CB 3.48Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.32Å; E41-T98 PolarHBondContact OE2-OG1 3.42Å; E41-M305 HydrophobicContact CG-CE 3.49Å; E41-M305 VanDerWaalsContact CG-CE 3.49Å | ||
| 42 | V | 96.1 | Very high | 96 | Very high | 43 Ų | 43 | 40 Ų | 40 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -57.2 | -28.8 | -168.6 | -68 | 0 | 0 | 0 | 0 | 113.8 | F30 V34 L39 R40 F44 F45 | F30-V42 HydrophobicContact CE1-CB 3.73Å; F30-V42 HydrophobicContact CE1-CG1 3.82Å; F30-V42 HydrophobicContact CZ-CB 3.91Å; F30-V42 HydrophobicContact CZ-CG1 4.26Å; V34-V42 HydrophobicContact CB-CG1 4.22Å; V34-V42 HydrophobicContact CG1-CG1 4.21Å; V34-V42 HydrophobicContact CG2-CG1 3.89Å; L39-V42 HydrophobicContact CD2-CG1 4.32Å; R40-V42 PolarHBondContact O-N 2.84Å; V42-F44 PolarHBondContact O-N 3.16Å; V42-F44 VanDerWaalsContact O-N 3.16Å; V42-F45 PolarHBondContact O-N 3.1Å |
| 43 | W | 95.2 | Very high | 95.6 | Very high | 51 Ų | 51 | 43 Ų | 43 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.4 | -173.6 | 52 | 77.1 | 0 | 0 | 0 | 114.5 | E41 F84 L290 R293 V302 M305 | E41-W43 HydrophobicContact CB-CH2 4.32Å; E41-W43 HydrophobicContact CB-CZ2 3.9Å; E41-W43 HydrophobicContact CG-CH2 4.13Å; E41-W43 HydrophobicContact CG-CZ2 3.81Å; E41-W43 PolarHBondContact O-N 3.31Å; E41-W43 VanDerWaalsContact O-N 3.07Å; W43-F84 WeakPolarHBondContact O-CD2 3.37Å; W43-L290 HydrophobicContact CB-CD2 4.08Å; W43-L290 HydrophobicContact CG-CD2 4.2Å; W43-R293 VanDerWaalsContact CE3-NH1 3.25Å; W43-V302 HydrophobicContact CH2-CG2 3.85Å; W43-V302 HydrophobicContact CZ2-CG2 4.36Å; W43-M305 HydrophobicContact CH2-CE 4.17Å; W43-M305 HydrophobicContact CH2-SD 4.42Å |
| 44 | F | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -78.9 | -24.8 | 172.5 | -66.8 | -58.5 | 0 | 0 | 0 | 113.7 | E41 V42 A82 K83 F84 P86 E92 L93 T98 F102 | E41-F44 HydrophobicContact CB-CD2 4.14Å; E41-F44 HydrophobicContact CB-CE2 4.41Å; E41-F44 PolarHBondContact O-N 2.96Å; V42-F44 PolarHBondContact O-N 3.16Å; V42-F44 VanDerWaalsContact O-N 3.16Å; F44-A82 CarbonylContact O-C 3.6Å; F44-A82 WeakPolarHBondContact O-CA 2.85Å; F44-K83 PolarHBondContact O-N 3.29Å; F44-F84 PolarHBondContact O-N 3.42Å; F44-P86 HydrophobicContact CE1-CB 4.25Å; F44-P86 HydrophobicContact CZ-CB 4.32Å; F44-E92 HydrophobicContact CZ-CB 4.18Å; F44-L93 HydrophobicContact CD2-CD2 4.25Å; F44-L93 HydrophobicContact CE2-CD2 3.71Å; F44-L93 HydrophobicContact CZ-CD2 3.99Å; F44-T98 HydrophobicContact CD2-CG2 4.3Å; F44-F102 HydrophobicContact CB-CE2 3.78Å; F44-F102 HydrophobicContact CB-CZ 3.75Å; F44-F102 HydrophobicContact CD1-CE2 4.31Å; F44-F102 AromaticContact CD1-CZ 3.94Å; F44-F102 HydrophobicContact CD1-CZ 3.94Å; F44-F102 AromaticContact CD2-CE2 3.88Å; F44-F102 HydrophobicContact CD2-CE2 3.88Å; F44-F102 HydrophobicContact CD2-CZ 4.33Å; F44-F102 AromaticContact CG-CE2 3.74Å; F44-F102 HydrophobicContact CG-CE2 3.74Å; F44-F102 AromaticContact CG-CZ 3.76Å; F44-F102 HydrophobicContact CG-CZ 3.76Å |
| 45 | F | 98.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 167.2 | -160.6 | -65.6 | -88.1 | 0 | 0 | 0 | 114.3 | F30 L39 E41 V42 F80 R81 A82 T98 L101 F102 | F30-F45 HydrophobicContact CE2-CB 4.15Å; F30-F45 HydrophobicContact CZ-CB 4.31Å; L39-F45 HydrophobicContact CD1-CD2 4.07Å; L39-F45 HydrophobicContact CD1-CE2 3.57Å; L39-F45 HydrophobicContact CD1-CZ 3.84Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.98Å; L39-F45 HydrophobicContact CG-CE2 4.37Å; E41-F45 WeakPolarHBondContact O-CD2 3.41Å; V42-F45 PolarHBondContact O-N 3.1Å; F45-F80 HydrophobicContact CB-CE1 4.03Å; F45-F80 HydrophobicContact CB-CE2 3.74Å; F45-F80 HydrophobicContact CB-CZ 3.4Å; F45-F80 HydrophobicContact CD1-CD1 4.02Å; F45-F80 AromaticContact CD1-CE1 3.33Å; F45-F80 HydrophobicContact CD1-CE1 3.33Å; F45-F80 AromaticContact CD1-CZ 3.65Å; F45-F80 HydrophobicContact CD1-CZ 3.65Å; F45-F80 HydrophobicContact CD2-CE1 4.45Å; F45-F80 HydrophobicContact CD2-CZ 4.18Å; F45-F80 AromaticContact CE1-CE1 3.89Å; F45-F80 HydrophobicContact CE1-CE1 3.89Å; F45-F80 AromaticContact CG-CE1 3.67Å; F45-F80 HydrophobicContact CG-CE1 3.67Å; F45-F80 HydrophobicContact CG-CE2 4.3Å; F45-F80 AromaticContact CG-CZ 3.46Å; F45-F80 HydrophobicContact CG-CZ 3.46Å; F45-F80 VanDerWaalsContact CG-CZ 3.46Å; F45-R81 WeakPolarHBondContact CA-O 3.42Å; F45-A82 HydrophobicContact CD1-CB 4.3Å; F45-A82 HydrophobicContact CE1-CB 4.11Å; F45-T98 HydrophobicContact CE2-CG2 4Å; F45-T98 HydrophobicContact CZ-CG2 4.17Å; F45-L101 HydrophobicContact CE1-CB 4.05Å; F45-L101 HydrophobicContact CE1-CD1 4.12Å; F45-L101 HydrophobicContact CZ-CB 4.2Å; F45-L101 HydrophobicContact CZ-CD1 4.35Å; F45-F102 HydrophobicContact CE2-CE2 4.29Å; F45-F102 HydrophobicContact CZ-CD2 4.12Å; F45-F102 AromaticContact CZ-CE2 3.99Å; F45-F102 HydrophobicContact CZ-CE2 3.99Å |
| 46 | G | 97.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 169.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R81 | G46-R81 PolarHBondContact N-O 2.62Å; G46-R81 PolarHBondContact O-N 3.43Å; G46-R81 VanDerWaalsContact O-N 3.07Å |
| 47 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118 | 170 | -68.6 | 168.4 | 0 | 0 | 0 | 109.3 | V9 L29 F30 V33 L59 F78 F80 | V9-L47 HydrophobicContact CG1-CD2 3.48Å; V9-L47 VanDerWaalsContact CG1-CD2 3.48Å; V9-L47 HydrophobicContact CG2-CD2 4.47Å; L29-L47 HydrophobicContact CB-CD1 4.45Å; L29-L47 HydrophobicContact CD2-CD1 3.98Å; L29-L47 HydrophobicContact CG-CD1 3.71Å; F30-L47 HydrophobicContact CB-CD1 4.08Å; F30-L47 HydrophobicContact CD2-CG 4.29Å; V33-L47 HydrophobicContact CG2-CD2 4.48Å; L47-L59 HydrophobicContact CB-CB 3.97Å; L47-L59 HydrophobicContact CB-CD2 4.05Å; L47-L59 HydrophobicContact CD1-CD2 3.77Å; L47-L59 WeakPolarHBondContact O-CB 3.05Å; L47-L59 PolarHBondContact O-N 3.03Å; L47-F78 HydrophobicContact CB-CD1 4.35Å; L47-F78 HydrophobicContact CD2-CB 4.21Å; L47-F80 HydrophobicContact CD2-CB 4.09Å; L47-F80 HydrophobicContact CD2-CD2 4.02Å |
| 48 | Q | 97.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.5 | 175.6 | -170.7 | -174.1 | 97.4 | 0 | 0 | 109.8 | S56 T57 W58 F78 K79 | Q48-S56 VanDerWaalsContact CG-OG 3.26Å; Q48-S56 WeakPolarHBondContact CG-OG 3.41Å; Q48-S56 PolarHBondContact OE1-OG 3.48Å; Q48-T57 CarbonylContact C-O 3.51Å; Q48-T57 VanDerWaalsContact CA-O 3.31Å; Q48-T57 WeakPolarHBondContact CA-O 3.43Å; Q48-W58 HydrophobicContact CB-CD2 4.46Å; Q48-W58 HydrophobicContact CB-CE3 3.94Å; Q48-W58 HydrophobicContact CB-CH2 4.4Å; Q48-W58 HydrophobicContact CB-CZ3 3.92Å; Q48-F78 CarbonylContact O-C 3.54Å; Q48-F78 WeakPolarHBondContact O-CA 3.44Å; Q48-K79 HydrophobicContact CB-CB 4.43Å; Q48-K79 PolarHBondContact N-O 3.5Å; Q48-K79 PolarHBondContact O-N 2.9Å |
| 49 | Y | 96.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 165.4 | 176.5 | 64.5 | -83 | 0 | 0 | 0 | 111.2 | D51 S56 T57 L59 Q68 V70 F78 | Y49-D51 HydrophobicContact CE2-CB 4.22Å; Y49-S56 CarbonylContact O-C 3.59Å; Y49-S56 WeakPolarHBondContact O-CA 3.37Å; Y49-T57 WeakPolarHBondContact CD1-O 3.48Å; Y49-T57 HydrophobicContact CE1-CG2 4.04Å; Y49-T57 HydrophobicContact CE2-CG2 4.29Å; Y49-T57 PolarHBondContact N-O 3.45Å; Y49-T57 PolarHBondContact O-N 2.92Å; Y49-T57 VanDerWaalsContact OH-CG2 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.45Å; Y49-L59 HydrophobicContact CD1-CB 4.29Å; Y49-L59 HydrophobicContact CD1-CD1 4.37Å; Y49-L59 HydrophobicContact CE1-CB 4.19Å; Y49-L59 HydrophobicContact CE1-CD1 4.11Å; Y49-Q68 WeakPolarHBondContact CE2-O 3.49Å; Y49-Q68 PolarHBondContact OH-O 2.91Å; Y49-V70 HydrophobicContact CD2-CB 4.04Å; Y49-V70 HydrophobicContact CD2-CG1 3.93Å; Y49-V70 HydrophobicContact CD2-CG2 3.8Å; Y49-V70 HydrophobicContact CE2-CB 4.33Å; Y49-V70 HydrophobicContact CE2-CG2 3.86Å; Y49-V70 HydrophobicContact CG-CG1 4.29Å; Y49-V70 HydrophobicContact CG-CG2 4.24Å; Y49-F78 HydrophobicContact CD1-CD1 4.37Å; Y49-F78 HydrophobicContact CD1-CE1 4.14Å; Y49-F78 HydrophobicContact CG-CD1 4.4Å; Y49-F78 HydrophobicContact CG-CE1 4.14Å |
| 50 | V | 94.8 | Very high | 94.2 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.1 | 169.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | K71 | V50-K71 HydrophobicContact CG1-CD 4.41Å; V50-K71 VanDerWaalsContact O-CB 3.23Å; V50-K71 WeakPolarHBondContact O-CB 3.46Å; V50-K71 PolarHBondContact O-N 3.4Å |
| 51 | D | 92 | Very high | 94.1 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 173.1 | 177 | 78.4 | -3.1 | 0 | 0 | 0 | 112.8 | Y49 K53 G54 Y55 D69 R275 | Y49-D51 HydrophobicContact CE2-CB 4.22Å; D51-K53 PolarHBondContact O-N 2.83Å; D51-K53 VanDerWaalsContact OD1-C 3.23Å; D51-K53 VanDerWaalsContact OD1-CA 3.31Å; D51-K53 WeakPolarHBondContact OD1-CA 3.44Å; D51-K53 WeakPolarHBondContact OD1-CB 3.22Å; D51-K53 PolarHBondContact OD1-N 3.21Å; D51-G54 PolarHBondContact O-N 3.45Å; D51-G54 PolarHBondContact OD1-N 3.12Å; D51-Y55 PolarHBondContact N-O 2.98Å; D51-Y55 PolarHBondContact OD1-N 2.78Å; D51-D69 CarbonylContact C-O 3.56Å; D51-D69 VanDerWaalsContact CA-O 3.25Å; D51-D69 WeakPolarHBondContact CA-O 3.23Å; D51-D69 WeakPolarHBondContact CB-O 3.44Å; D51-R275 IonicContact OD2-CZ 3.65Å; D51-R275 IonicContact OD2-NH1 3.22Å; D51-R275 PolarHBondContact OD2-NH1 2.68Å; D51-R275 IonicContact OD2-NH2 3.29Å; D51-R275 PolarHBondContact OD2-NH2 3.46Å |
| 52 | S | 90.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 47% | 0.469 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -11 | 176.7 | 69.5 | 0 | 0 | 0 | 0 | 114.9 | D69 | S52-D69 WeakPolarHBondContact CB-OD1 3.37Å; S52-D69 PolarHBondContact N-O 2.76Å; S52-D69 PolarHBondContact OG-OD1 3.25Å; S52-D69 PolarHBondContact OG-OD2 2.93Å |
| 53 | K | 88.9 | Confident | 93.8 | Very high | 142 Ų | 142 | 52.4 Ų | 52.4 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 9.8 | -178.9 | -64.9 | 162.4 | -173.6 | 148.6 | 0 | 112.5 | D51 Y55 D69 | D51-K53 PolarHBondContact O-N 2.83Å; D51-K53 VanDerWaalsContact OD1-C 3.23Å; D51-K53 VanDerWaalsContact OD1-CA 3.31Å; D51-K53 WeakPolarHBondContact OD1-CA 3.44Å; D51-K53 WeakPolarHBondContact OD1-CB 3.22Å; D51-K53 PolarHBondContact OD1-N 3.21Å; K53-Y55 HydrophobicContact CB-CD2 3.72Å; K53-Y55 HydrophobicContact CB-CE2 3.87Å; K53-Y55 VanDerWaalsContact O-CD2 3.28Å; K53-Y55 WeakPolarHBondContact O-CD2 3.47Å; K53-Y55 WeakPolarHBondContact O-CE2 3.25Å; K53-D69 IonicContact NZ-OD2 3.39Å |
| 54 | G | 89.1 | Confident | 93.9 | Very high | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 82.8 | 9.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D51 | D51-G54 PolarHBondContact O-N 3.45Å; D51-G54 PolarHBondContact OD1-N 3.12Å |
| 55 | Y | 87.1 | Confident | 93.8 | Very high | 103 Ų | 103 | 54 Ų | 54 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | trans | -98 | 134.1 | -177.4 | -64 | -91.2 | 0 | 0 | 0 | 112.6 | D51 K53 T57 R273 R275 | D51-Y55 PolarHBondContact N-O 2.98Å; D51-Y55 PolarHBondContact OD1-N 2.78Å; K53-Y55 HydrophobicContact CB-CD2 3.72Å; K53-Y55 HydrophobicContact CB-CE2 3.87Å; K53-Y55 VanDerWaalsContact O-CD2 3.28Å; K53-Y55 WeakPolarHBondContact O-CD2 3.47Å; K53-Y55 WeakPolarHBondContact O-CE2 3.25Å; Y55-T57 PolarHBondContact O-OG1 3.12Å; Y55-R273 PolarHBondContact OH-NH1 3.09Å; Y55-R275 VanDerWaalsContact CD2-NH1 3.34Å | ||
| 56 | S | 90.9 | Very high | 93.6 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 132.3 | 168.7 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | Q48 Y49 | Q48-S56 VanDerWaalsContact CG-OG 3.26Å; Q48-S56 WeakPolarHBondContact CG-OG 3.41Å; Q48-S56 PolarHBondContact OE1-OG 3.48Å; Y49-S56 CarbonylContact O-C 3.59Å; Y49-S56 WeakPolarHBondContact O-CA 3.37Å |
| 57 | T | 90.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 144.3 | -170 | -47.1 | 0 | 0 | 0 | 0 | 110.8 | Q48 Y49 Y55 R275 | Q48-T57 CarbonylContact C-O 3.51Å; Q48-T57 VanDerWaalsContact CA-O 3.31Å; Q48-T57 WeakPolarHBondContact CA-O 3.43Å; Y49-T57 WeakPolarHBondContact CD1-O 3.48Å; Y49-T57 HydrophobicContact CE1-CG2 4.04Å; Y49-T57 HydrophobicContact CE2-CG2 4.29Å; Y49-T57 PolarHBondContact N-O 3.45Å; Y49-T57 PolarHBondContact O-N 2.92Å; Y49-T57 VanDerWaalsContact OH-CG2 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.45Å; Y55-T57 PolarHBondContact O-OG1 3.12Å; T57-R275 PolarHBondContact OG1-NH2 3.4Å |
| 58 | W | 94.9 | Very high | 93.2 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.3 | 172.2 | -64.3 | 104.4 | 0 | 0 | 0 | 111.2 | Q48 R81 K83 | Q48-W58 HydrophobicContact CB-CD2 4.46Å; Q48-W58 HydrophobicContact CB-CE3 3.94Å; Q48-W58 HydrophobicContact CB-CH2 4.4Å; Q48-W58 HydrophobicContact CB-CZ3 3.92Å; W58-R81 HydrophobicContact CH2-CB 3.9Å; W58-R81 HydrophobicContact CZ3-CB 4.24Å; W58-K83 HydrophobicContact CD2-CB 4.36Å; W58-K83 HydrophobicContact CD2-CD 4.08Å; W58-K83 HydrophobicContact CD2-CG 4.07Å; W58-K83 HydrophobicContact CE3-CB 4.28Å; W58-K83 HydrophobicContact CE3-CD 4.43Å; W58-K83 HydrophobicContact CE3-CG 4.45Å; W58-K83 HydrophobicContact CG-CD 4.24Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.24Å; W58-K83 HydrophobicContact CZ2-CB 3.74Å; W58-K83 HydrophobicContact CZ2-CG 3.85Å; W58-K83 HydrophobicContact CZ3-CB 3.94Å |
| 59 | L | 95.9 | Very high | 93 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 133.1 | 175.7 | -167.6 | 71.1 | 0 | 0 | 0 | 110.6 | L29 L47 Y49 V65 Q68 F78 | L29-L59 HydrophobicContact CD2-CD2 3.95Å; L47-L59 HydrophobicContact CB-CB 3.97Å; L47-L59 HydrophobicContact CB-CD2 4.05Å; L47-L59 HydrophobicContact CD1-CD2 3.77Å; L47-L59 WeakPolarHBondContact O-CB 3.05Å; L47-L59 PolarHBondContact O-N 3.03Å; Y49-L59 HydrophobicContact CD1-CB 4.29Å; Y49-L59 HydrophobicContact CD1-CD1 4.37Å; Y49-L59 HydrophobicContact CE1-CB 4.19Å; Y49-L59 HydrophobicContact CE1-CD1 4.11Å; L59-V65 HydrophobicContact CD2-CG2 4.46Å; L59-Q68 HydrophobicContact CD1-CB 4.47Å; L59-F78 HydrophobicContact CD1-CE1 4.2Å; L59-F78 HydrophobicContact CD2-CE1 4.47Å |
| 60 | K | 93.8 | Very high | 92.8 | Very high | 121 Ų | 121 | 64.5 Ų | 64.5 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 123.2 | 172.2 | -57.6 | -168.2 | 173.8 | -146.6 | 0 | 109.2 | K63 Q68 | K60-K63 HydrophobicContact CB-CB 4.42Å; K60-K63 HydrophobicContact CB-CG 4.42Å; K60-K63 PolarHBondContact O-N 3.01Å; K60-Q68 PolarHBondContact O-NE2 3.49Å |
| 61 | L | 94.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -42.8 | -175.8 | -55.4 | -176.2 | 0 | 0 | 0 | 111.3 | G26 K27 F30 K63 | G26-L61 CarbonylContact C-O 3.57Å; G26-L61 PolarHBondContact N-O 3.26Å; K27-L61 HydrophobicContact CB-CB 4.05Å; K27-L61 HydrophobicContact CD-CB 4.27Å; K27-L61 HydrophobicContact CD-CD1 4.23Å; K27-L61 PolarHBondContact N-O 3.39Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.24Å; F30-L61 HydrophobicContact CG-CD2 3.98Å; L61-K63 PolarHBondContact O-N 3.36Å; L61-K63 VanDerWaalsContact O-N 3.07Å |
| 62 | N | 92.6 | Very high | 92.7 | Very high | 84 Ų | 84 | 75.1 Ų | 75.1 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 12.5 | 179 | 70.7 | -0.9 | 0 | 0 | 0 | 116.2 | ||
| 63 | K | 94.4 | Very high | 92.8 | Very high | 111 Ų | 111 | 75.6 Ų | 75.6 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -130.9 | 150.8 | 176.7 | -62.4 | -156 | 177 | -144.9 | 0 | 112.8 | T25 G26 K60 L61 Q68 | T25-K63 CarbonylContact C-O 3.56Å; G26-K63 PolarHBondContact N-O 3.02Å; K60-K63 HydrophobicContact CB-CB 4.42Å; K60-K63 HydrophobicContact CB-CG 4.42Å; K60-K63 PolarHBondContact O-N 3.01Å; L61-K63 PolarHBondContact O-N 3.36Å; L61-K63 VanDerWaalsContact O-N 3.07Å; K63-Q68 HydrophobicContact CB-CG 4.19Å; K63-Q68 PolarHBondContact O-NE2 3.06Å; K63-Q68 VanDerWaalsContact O-NE2 3.12Å |
| 64 | K | 96.6 | Very high | 92.9 | Very high | 84 Ų | 84 | 74.9 Ų | 74.9 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -59.5 | 135.8 | 175 | -63.5 | -178.6 | 175 | 172.7 | 0 | 110.5 | T24 T66 Q67 Q68 | T24-K64 WeakPolarHBondContact O-CA 3.38Å; K64-T66 PolarHBondContact O-N 3.28Å; K64-Q67 HydrophobicContact CB-CB 4.22Å; K64-Q67 HydrophobicContact CB-CG 3.98Å; K64-Q67 PolarHBondContact O-N 3.42Å; K64-Q68 WeakPolarHBondContact O-CG 3.37Å |
| 65 | V | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -57.3 | -41 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | I20 T24 L29 L59 Q67 Q68 F78 | I20-V65 HydrophobicContact CD1-CB 3.98Å; I20-V65 HydrophobicContact CD1-CG1 4.07Å; I20-V65 HydrophobicContact CD1-CG2 4.07Å; T24-V65 PolarHBondContact O-N 3.18Å; L29-V65 HydrophobicContact CB-CG2 4.11Å; L29-V65 HydrophobicContact CD2-CG1 4.23Å; L29-V65 HydrophobicContact CD2-CG2 3.81Å; L59-V65 HydrophobicContact CD2-CG2 4.46Å; V65-Q67 PolarHBondContact O-N 3.31Å; V65-Q67 VanDerWaalsContact O-N 3.14Å; V65-Q68 PolarHBondContact O-N 2.97Å; V65-F78 HydrophobicContact CG1-CE1 4.39Å; V65-F78 HydrophobicContact CG1-CE2 4.39Å; V65-F78 HydrophobicContact CG1-CZ 3.61Å |
| 66 | T | 93.6 | Very high | 93.8 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -62.9 | -14.4 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | I5 P22 K64 | I5-T66 HydrophobicContact CD1-CG2 3.39Å; P22-T66 WeakPolarHBondContact O-CG2 3.48Å; P22-T66 PolarHBondContact O-OG1 3.5Å; K64-T66 PolarHBondContact O-N 3.28Å |
| 67 | Q | 94.1 | Very high | 94.1 | Very high | 134 Ų | 134 | 70.1 Ų | 70.1 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -106 | 15.4 | -176.9 | -65.9 | -177.3 | -35.5 | 0 | 0 | 113.2 | K64 V65 | K64-Q67 HydrophobicContact CB-CB 4.22Å; K64-Q67 HydrophobicContact CB-CG 3.98Å; K64-Q67 PolarHBondContact O-N 3.42Å; V65-Q67 PolarHBondContact O-N 3.31Å; V65-Q67 VanDerWaalsContact O-N 3.14Å |
| 68 | Q | 92.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 68.9 Ų | 68.9 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -117.1 | 22 | -173 | -63.7 | -169.1 | 64.2 | 0 | 0 | 114.8 | Y49 L59 K60 K63 K64 V65 V70 | Y49-Q68 WeakPolarHBondContact CE2-O 3.49Å; Y49-Q68 PolarHBondContact OH-O 2.91Å; L59-Q68 HydrophobicContact CD1-CB 4.47Å; K60-Q68 PolarHBondContact O-NE2 3.49Å; K63-Q68 HydrophobicContact CB-CG 4.19Å; K63-Q68 PolarHBondContact O-NE2 3.06Å; K63-Q68 VanDerWaalsContact O-NE2 3.12Å; K64-Q68 WeakPolarHBondContact O-CG 3.37Å; V65-Q68 PolarHBondContact O-N 2.97Å; Q68-V70 HydrophobicContact CB-CG2 4.42Å; Q68-V70 PolarHBondContact O-N 2.93Å; Q68-V70 VanDerWaalsContact O-N 3.09Å |
| 69 | D | 92.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | trans | 57.5 | 26.1 | 173.4 | -156.7 | 15.8 | 0 | 0 | 0 | 114.1 | D51 S52 K53 | D51-D69 CarbonylContact C-O 3.56Å; D51-D69 VanDerWaalsContact CA-O 3.25Å; D51-D69 WeakPolarHBondContact CA-O 3.23Å; D51-D69 WeakPolarHBondContact CB-O 3.44Å; S52-D69 WeakPolarHBondContact CB-OD1 3.37Å; S52-D69 PolarHBondContact N-O 2.76Å; S52-D69 PolarHBondContact OG-OD1 3.25Å; S52-D69 PolarHBondContact OG-OD2 2.93Å; K53-D69 IonicContact NZ-OD2 3.39Å | ||
| 70 | V | 93.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 70.8 Ų | 70.8 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -57.9 | 136.3 | 174.7 | -171 | 0 | 0 | 0 | 0 | 109.5 | Y49 Q68 K72 L76 F78 | Y49-V70 HydrophobicContact CD2-CB 4.04Å; Y49-V70 HydrophobicContact CD2-CG1 3.93Å; Y49-V70 HydrophobicContact CD2-CG2 3.8Å; Y49-V70 HydrophobicContact CE2-CB 4.33Å; Y49-V70 HydrophobicContact CE2-CG2 3.86Å; Y49-V70 HydrophobicContact CG-CG1 4.29Å; Y49-V70 HydrophobicContact CG-CG2 4.24Å; Q68-V70 HydrophobicContact CB-CG2 4.42Å; Q68-V70 PolarHBondContact O-N 2.93Å; Q68-V70 VanDerWaalsContact O-N 3.09Å; V70-K72 PolarHBondContact O-N 3.28Å; V70-L76 HydrophobicContact CG1-CD2 4.14Å; V70-F78 HydrophobicContact CG1-CE1 4.33Å; V70-F78 HydrophobicContact CG1-CZ 4.07Å; V70-F78 HydrophobicContact CG2-CE1 4.33Å; V70-F78 HydrophobicContact CG2-CZ 4.27Å |
| 71 | K | 93.4 | Very high | 94.9 | Very high | 90 Ų | 90 | 66 Ų | 66 | 39% | 0.391 | 32% | 0.318 | S | S | . | . | trans | -54.1 | 129.4 | 176.9 | -169.4 | -174.8 | 178 | -155.3 | 0 | 110.1 | V50 E73 L76 | V50-K71 HydrophobicContact CG1-CD 4.41Å; V50-K71 VanDerWaalsContact O-CB 3.23Å; V50-K71 WeakPolarHBondContact O-CB 3.46Å; V50-K71 PolarHBondContact O-N 3.4Å; K71-E73 HydrophobicContact CD-CG 4.27Å; K71-E73 WeakPolarHBondContact CD-OE1 3.45Å; K71-E73 WeakPolarHBondContact CE-OE1 3.37Å; K71-E73 HydrophobicContact CG-CG 4.16Å; K71-E73 IonicContact NZ-OE1 3.64Å; K71-E73 PolarHBondContact NZ-OE1 3.03Å; K71-E73 PolarHBondContact O-N 3.42Å; K71-L76 VanDerWaalsContact O-CD2 3.3Å; K71-L76 WeakPolarHBondContact O-CD2 3.24Å | ||
| 72 | K | 90.6 | Very high | 95.1 | Very high | 205 Ų | 205 | 63.6 Ų | 63.6 | 89% | 0.891 | 31% | 0.305 | S | S | * | . | trans | -78.6 | 84.1 | -171.5 | -66.5 | -178.6 | -179.1 | 176.6 | 0 | 111.3 | V70 | V70-K72 PolarHBondContact O-N 3.28Š| ||
| 73 | E | 92.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 36% | 0.36 | 29% | 0.292 | S | S | . | . | trans | -120.7 | 166.7 | 178.2 | -65.1 | 178.2 | 144.4 | 0 | 0 | 110.5 | K71 P75 L76 | K71-E73 HydrophobicContact CD-CG 4.27Å; K71-E73 WeakPolarHBondContact CD-OE1 3.45Å; K71-E73 WeakPolarHBondContact CE-OE1 3.37Å; K71-E73 HydrophobicContact CG-CG 4.16Å; K71-E73 IonicContact NZ-OE1 3.64Å; K71-E73 PolarHBondContact NZ-OE1 3.03Å; K71-E73 PolarHBondContact O-N 3.42Å; E73-P75 CarbonylContact C-O 3.58Å; E73-P75 CarbonylContact O-C 3.6Å; E73-L76 WeakPolarHBondContact O-CD2 3.27Å | ||
| 74 | N | 92.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 57.1 Ų | 57.1 | 68% | 0.684 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -135.8 | 107.6 | 177.1 | 178.4 | 33.3 | 0 | 0 | 0 | 109.3 | N6 | N6-N74 PolarHBondContact ND2-OD1 2.93Š|
| 75 | P | 96.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | S | Bend | cis | -68.9 | 159.8 | -3.9 | 27.2 | -31.9 | 0 | 0 | 0 | 113.5 | N6 R8 E73 Q77 | N6-P75 HydrophobicContact CB-CB 3.87Å; N6-P75 WeakPolarHBondContact O-CA 3.44Å; R8-P75 HydrophobicContact CB-CB 4.19Å; R8-P75 HydrophobicContact CB-CG 3.84Å; E73-P75 CarbonylContact C-O 3.58Å; E73-P75 CarbonylContact O-C 3.6Å; P75-Q77 PolarHBondContact O-NE2 2.89Å |
| 76 | L | 97.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.5 | 167.9 | -64.8 | 177.1 | 0 | 0 | 0 | 109.8 | I5 N6 V7 R8 V70 K71 E73 F78 | I5-L76 HydrophobicContact CG2-CD1 3.65Å; I5-L76 HydrophobicContact CG2-CG 4.1Å; N6-L76 PolarHBondContact O-N 2.88Å; V7-L76 WeakPolarHBondContact CA-O 3.4Å; V7-L76 HydrophobicContact CG1-CB 4.29Å; V7-L76 HydrophobicContact CG1-CD1 4.49Å; R8-L76 PolarHBondContact N-O 3.25Å; V70-L76 HydrophobicContact CG1-CD2 4.14Å; K71-L76 VanDerWaalsContact O-CD2 3.3Å; K71-L76 WeakPolarHBondContact O-CD2 3.24Å; E73-L76 WeakPolarHBondContact O-CD2 3.27Å; L76-F78 HydrophobicContact CB-CE2 3.74Å; L76-F78 HydrophobicContact CB-CZ 4.34Å |
| 77 | Q | 97.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 123.1 | -172.2 | -58.9 | -61 | -39.4 | 0 | 0 | 112.5 | P75 | P75-Q77 PolarHBondContact O-NE2 2.89Å |
| 78 | F | 98.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.6 | 172.4 | -58.8 | -86.6 | 0 | 0 | 0 | 111.2 | V7 R8 V9 T10 L29 L47 Q48 Y49 L59 V65 V70 L76 | V7-F78 HydrophobicContact CB-CD2 4.34Å; V7-F78 HydrophobicContact CB-CE2 4.23Å; V7-F78 HydrophobicContact CG1-CE2 3.99Å; R8-F78 PolarHBondContact O-N 3.39Å; V9-F78 WeakPolarHBondContact CA-O 3.45Å; V9-F78 HydrophobicContact CG1-CB 4.48Å; V9-F78 HydrophobicContact CG2-CB 4.23Å; T10-F78 PolarHBondContact N-O 3.18Å; L29-F78 HydrophobicContact CD2-CD2 4.25Å; L29-F78 HydrophobicContact CD2-CE1 4.38Å; L29-F78 HydrophobicContact CD2-CE2 3.96Å; L29-F78 HydrophobicContact CD2-CZ 4.05Å; L47-F78 HydrophobicContact CB-CD1 4.35Å; L47-F78 HydrophobicContact CD2-CB 4.21Å; Q48-F78 CarbonylContact O-C 3.54Å; Q48-F78 WeakPolarHBondContact O-CA 3.44Å; Y49-F78 HydrophobicContact CD1-CD1 4.37Å; Y49-F78 HydrophobicContact CD1-CE1 4.14Å; Y49-F78 HydrophobicContact CG-CD1 4.4Å; Y49-F78 HydrophobicContact CG-CE1 4.14Å; L59-F78 HydrophobicContact CD1-CE1 4.2Å; L59-F78 HydrophobicContact CD2-CE1 4.47Å; V65-F78 HydrophobicContact CG1-CE1 4.39Å; V65-F78 HydrophobicContact CG1-CE2 4.39Å; V65-F78 HydrophobicContact CG1-CZ 3.61Å; V70-F78 HydrophobicContact CG1-CE1 4.33Å; V70-F78 HydrophobicContact CG1-CZ 4.07Å; V70-F78 HydrophobicContact CG2-CE1 4.33Å; V70-F78 HydrophobicContact CG2-CZ 4.27Å; L76-F78 HydrophobicContact CB-CE2 3.74Å; L76-F78 HydrophobicContact CB-CZ 4.34Å |
| 79 | K | 98.4 | Very high | 95.8 | Very high | 102 Ų | 102 | 46 Ų | 46 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.2 | 167.6 | -65 | -171 | 175.6 | -167.6 | 0 | 109.5 | T10 Q48 R81 | T10-K79 CarbonylContact O-C 3.48Å; T10-K79 WeakPolarHBondContact O-CA 3.33Å; Q48-K79 HydrophobicContact CB-CB 4.43Å; Q48-K79 PolarHBondContact N-O 3.5Å; Q48-K79 PolarHBondContact O-N 2.9Å; K79-R81 HydrophobicContact CB-CG 4.07Å |
| 80 | F | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.1 | 168.5 | -175.4 | -97.6 | 0 | 0 | 0 | 108.4 | V9 T10 T11 F30 V33 V34 L39 F45 L47 L101 | V9-F80 HydrophobicContact CG1-CB 3.9Å; T10-F80 PolarHBondContact O-N 2.96Å; T11-F80 HydrophobicContact CG2-CB 4.23Å; T11-F80 HydrophobicContact CG2-CD1 4.31Å; F30-F80 HydrophobicContact CD2-CE2 4.18Å; F30-F80 HydrophobicContact CE2-CD2 4.45Å; F30-F80 AromaticContact CE2-CE2 3.68Å; F30-F80 HydrophobicContact CE2-CE2 3.68Å; F30-F80 HydrophobicContact CZ-CE2 4.23Å; V33-F80 HydrophobicContact CG1-CB 4.3Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.11Å; V33-F80 HydrophobicContact CG1-CG 3.99Å; V34-F80 HydrophobicContact CG1-CE2 3.56Å; V34-F80 HydrophobicContact CG1-CZ 3.65Å; L39-F80 HydrophobicContact CD1-CE1 4.43Å; F45-F80 HydrophobicContact CB-CE1 4.03Å; F45-F80 HydrophobicContact CB-CE2 3.74Å; F45-F80 HydrophobicContact CB-CZ 3.4Å; F45-F80 HydrophobicContact CD1-CD1 4.02Å; F45-F80 AromaticContact CD1-CE1 3.33Å; F45-F80 HydrophobicContact CD1-CE1 3.33Å; F45-F80 AromaticContact CD1-CZ 3.65Å; F45-F80 HydrophobicContact CD1-CZ 3.65Å; F45-F80 HydrophobicContact CD2-CE1 4.45Å; F45-F80 HydrophobicContact CD2-CZ 4.18Å; F45-F80 AromaticContact CE1-CE1 3.89Å; F45-F80 HydrophobicContact CE1-CE1 3.89Å; F45-F80 AromaticContact CG-CE1 3.67Å; F45-F80 HydrophobicContact CG-CE1 3.67Å; F45-F80 HydrophobicContact CG-CE2 4.3Å; F45-F80 AromaticContact CG-CZ 3.46Å; F45-F80 HydrophobicContact CG-CZ 3.46Å; F45-F80 VanDerWaalsContact CG-CZ 3.46Å; L47-F80 HydrophobicContact CD2-CB 4.09Å; L47-F80 HydrophobicContact CD2-CD2 4.02Å; F80-L101 HydrophobicContact CD1-CD1 4.22Å; F80-L101 HydrophobicContact CE1-CD1 3.83Å |
| 81 | R | 98.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 150.1 | -171.9 | -70.6 | -65.7 | -179.7 | -81.8 | 17.7 | 110.8 | T10 T11 M12 F45 G46 W58 K79 K83 E108 | T10-R81 PolarHBondContact O-NH1 3.14Å; T10-R81 VanDerWaalsContact O-NH1 3.08Å; T11-R81 VanDerWaalsContact C-NH1 3.3Å; T11-R81 VanDerWaalsContact O-CZ 3.32Å; T11-R81 PolarHBondContact O-NH1 3.5Å; T11-R81 PolarHBondContact O-NH2 3.24Å; T11-R81 VanDerWaalsContact O-NH2 3.13Å; M12-R81 PolarHBondContact SD-NE 3.26Å; M12-R81 PolarHBondContact SD-NH2 2.96Å; M12-R81 VanDerWaalsContact SD-NH2 3.35Å; F45-R81 WeakPolarHBondContact CA-O 3.42Å; G46-R81 PolarHBondContact N-O 2.62Å; G46-R81 PolarHBondContact O-N 3.43Å; G46-R81 VanDerWaalsContact O-N 3.07Å; W58-R81 HydrophobicContact CH2-CB 3.9Å; W58-R81 HydrophobicContact CZ3-CB 4.24Å; K79-R81 HydrophobicContact CB-CG 4.07Å; R81-K83 PolarHBondContact O-N 2.86Å; R81-E108 IonicContact NE-OE2 3.68Å; R81-E108 IonicContact NH2-OE2 3.64Å |
| 82 | A | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 123.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | F44 F45 F102 Q105 | F44-A82 CarbonylContact O-C 3.6Å; F44-A82 WeakPolarHBondContact O-CA 2.85Å; F45-A82 HydrophobicContact CD1-CB 4.3Å; F45-A82 HydrophobicContact CE1-CB 4.11Å; A82-F102 HydrophobicContact CB-CD1 4.16Å; A82-F102 HydrophobicContact CB-CE1 3.61Å; A82-F102 HydrophobicContact CB-CE2 4.31Å; A82-F102 HydrophobicContact CB-CZ 3.72Å; A82-Q105 PolarHBondContact O-NE2 2.93Å |
| 83 | K | 95.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -97.7 | -34.6 | 176.8 | 177.5 | -173.3 | 168.8 | -148.4 | 0 | 110.9 | F44 W58 R81 A282 L283 | F44-K83 PolarHBondContact O-N 3.29Å; W58-K83 HydrophobicContact CD2-CB 4.36Å; W58-K83 HydrophobicContact CD2-CD 4.08Å; W58-K83 HydrophobicContact CD2-CG 4.07Å; W58-K83 HydrophobicContact CE3-CB 4.28Å; W58-K83 HydrophobicContact CE3-CD 4.43Å; W58-K83 HydrophobicContact CE3-CG 4.45Å; W58-K83 HydrophobicContact CG-CD 4.24Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.24Å; W58-K83 HydrophobicContact CZ2-CB 3.74Å; W58-K83 HydrophobicContact CZ2-CG 3.85Å; W58-K83 HydrophobicContact CZ3-CB 3.94Å; R81-K83 PolarHBondContact O-N 2.86Å; K83-A282 PolarHBondContact NZ-O 3.28Å; K83-L283 HydrophobicContact CG-CD2 4.1Å |
| 84 | F | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -119.3 | 150.7 | 177.5 | -57 | -71.5 | 0 | 0 | 0 | 109.1 | W43 F44 F102 L283 L290 | W43-F84 WeakPolarHBondContact O-CD2 3.37Å; F44-F84 PolarHBondContact O-N 3.42Å; F84-F102 WeakPolarHBondContact O-CZ 3.42Å; F84-L283 HydrophobicContact CE1-CD2 4.13Å; F84-L290 HydrophobicContact CB-CD1 3.61Å; F84-L290 HydrophobicContact CD2-CD1 4.19Å; F84-L290 HydrophobicContact CG-CD1 3.89Å |
| 85 | F | 98.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 11% | 0.114 | 15% | 0.148 | C | C | . | . | trans | -111.5 | 154.9 | -179.6 | -75 | -101.9 | 0 | 0 | 0 | 110.1 | F102 V106 Y201 R294 | F85-F102 HydrophobicContact CD1-CD1 4.14Å; F85-F102 AromaticContact CD1-CE1 3.69Å; F85-F102 HydrophobicContact CD1-CE1 3.69Å; F85-F102 HydrophobicContact CE1-CD1 4.18Å; F85-F102 HydrophobicContact CE1-CE1 4.02Å; F85-F102 HydrophobicContact CG-CE1 4.15Å; F85-V106 HydrophobicContact CE1-CG2 3.97Å; F85-Y201 AromaticContact CD1-CE1 3.9Å; F85-Y201 HydrophobicContact CD1-CE1 3.9Å; F85-Y201 HydrophobicContact CD1-CE2 4.23Å; F85-Y201 AromaticContact CD1-CZ 3.66Å; F85-Y201 HydrophobicContact CE1-CE2 4.26Å; F85-R294 PolarHBondContact O-NH2 2.92Å | ||
| 86 | P | 96.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | trans | -62.3 | 158.4 | 167 | 30 | -36.4 | 0 | 0 | 0 | 111 | F44 V89 E92 L93 | F44-P86 HydrophobicContact CE1-CB 4.25Å; F44-P86 HydrophobicContact CZ-CB 4.32Å; P86-V89 HydrophobicContact CG-CB 4.41Å; P86-V89 HydrophobicContact CG-CG1 3.68Å; P86-E92 WeakPolarHBondContact CA-OE2 3.25Å; P86-E92 HydrophobicContact CB-CB 3.77Å; P86-E92 HydrophobicContact CB-CG 4.24Å; P86-L93 HydrophobicContact CB-CD2 4.28Å; P86-L93 HydrophobicContact CG-CD1 4.43Å; P86-L93 HydrophobicContact CG-CD2 3.99Å; P86-L93 HydrophobicContact CG-CG 4.24Å | ||
| 87 | E | 94.4 | Very high | 96.2 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -72.8 | -50.9 | 158.5 | -72.7 | 174.7 | -125.9 | 0 | 0 | 109.1 | E92 A222 L223 Y291 R294 R295 R514 | E87-E92 WeakPolarHBondContact CA-OE1 3.43Å; E87-E92 WeakPolarHBondContact CB-OE1 3.47Å; E87-E92 PolarHBondContact N-OE1 3.18Å; E87-A222 HydrophobicContact CG-CB 3.93Å; E87-L223 HydrophobicContact CB-CD2 4.17Å; E87-L223 HydrophobicContact CG-CD2 3.73Å; E87-Y291 WeakPolarHBondContact OE1-CA 3.35Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.48Å; E87-R294 WeakPolarHBondContact OE1-CD 3.15Å; E87-R294 IonicContact OE1-CZ 3.11Å; E87-R294 IonicContact OE1-NE 2.61Å; E87-R294 IonicContact OE1-NH1 2.74Å; E87-R294 PolarHBondContact OE1-NH1 2.84Å; E87-R295 IonicContact OE1-CZ 3.59Å; E87-R295 IonicContact OE1-NH1 3.21Å; E87-R295 PolarHBondContact OE1-NH1 3.25Å; E87-R295 IonicContact OE1-NH2 3.59Å; E87-R295 IonicContact OE2-CZ 2.78Å; E87-R295 IonicContact OE2-NH1 3.58Å; E87-R295 PolarHBondContact OE2-NH1 3.04Å; E87-R295 IonicContact OE2-NH2 3.88Å; E87-R295 PolarHBondContact OE2-NH2 3.02Å; E87-R514 PolarHBondContact O-NH1 3.25Å; E87-R514 PolarHBondContact O-NH2 3.47Å |
| 88 | D | 95.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | trans | -122 | 122.8 | 170.4 | -146.1 | -39.7 | 0 | 0 | 0 | 113 | S90 E91 E92 Q196 R514 K520 | D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 3.16Å; D88-S90 PolarHBondContact OD1-N 2.92Å; D88-S90 PolarHBondContact OD1-OG 2.91Å; D88-E91 HydrophobicContact CB-CB 4.38Å; D88-E91 HydrophobicContact CB-CG 4.15Å; D88-E91 PolarHBondContact O-N 2.98Å; D88-E92 PolarHBondContact N-OE1 3.3Å; D88-E92 VanDerWaalsContact N-OE1 3.17Å; D88-E92 WeakPolarHBondContact O-CB 3.38Å; D88-E92 PolarHBondContact O-N 3.29Å; D88-Q196 PolarHBondContact OD1-NE2 2.87Å; D88-Q196 PolarHBondContact OD1-OE1 2.94Å; D88-R514 VanDerWaalsContact CB-NH2 3.25Å; D88-R514 IonicContact OD1-NH2 2.69Å; D88-R514 IonicContact OD2-CZ 2.68Å; D88-R514 IonicContact OD2-NE 2.74Å; D88-R514 IonicContact OD2-NH2 2.7Å; D88-R514 PolarHBondContact OD2-NH2 3.37Å; D88-K520 IonicContact OD2-NZ 3.41Å | ||
| 89 | V | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -30.4 | 180 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | P86 L93 M189 L192 K193 Q196 Y201 | P86-V89 HydrophobicContact CG-CB 4.41Å; P86-V89 HydrophobicContact CG-CG1 3.68Å; V89-L93 HydrophobicContact CB-CD1 4.02Å; V89-L93 HydrophobicContact CB-CG 4.47Å; V89-L93 HydrophobicContact CG1-CD1 4.24Å; V89-L93 WeakPolarHBondContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 3.38Å; V89-M189 HydrophobicContact CB-SD 4.29Å; V89-M189 HydrophobicContact CG2-SD 3.94Å; V89-M189 WeakPolarHBondContact O-CE 3.44Å; V89-L192 HydrophobicContact CB-CB 4.16Å; V89-L192 HydrophobicContact CG1-CB 4.14Å; V89-L192 HydrophobicContact CG2-CB 4Å; V89-K193 HydrophobicContact CG2-CB 4.46Å; V89-K193 HydrophobicContact CG2-CG 3.91Å; V89-Q196 HydrophobicContact CG1-CB 4.26Å; V89-Q196 HydrophobicContact CG2-CG 4.42Å; V89-Q196 VanDerWaalsContact N-OE1 3.08Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.41Å |
| 90 | S | 92.8 | Very high | 96.1 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 31% | 0.308 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -79.5 | -25.5 | -177.5 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | D88 | D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 3.16Å; D88-S90 PolarHBondContact OD1-N 2.92Å; D88-S90 PolarHBondContact OD1-OG 2.91Å |
| 91 | E | 91.1 | Very high | 96.1 | Very high | 130 Ų | 130 | 31.4 Ų | 31.4 | 61% | 0.607 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -97.8 | -24.2 | -176.2 | -53.7 | -50 | 121.1 | 0 | 0 | 113 | D88 | D88-E91 HydrophobicContact CB-CB 4.38Å; D88-E91 HydrophobicContact CB-CG 4.15Å; D88-E91 PolarHBondContact O-N 2.98Å |
| 92 | E | 94.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -108.5 | -26.2 | -171.3 | -71.4 | -178.5 | -124.1 | 0 | 0 | 115.9 | F44 P86 E87 D88 I94 R294 | F44-E92 HydrophobicContact CZ-CB 4.18Å; P86-E92 WeakPolarHBondContact CA-OE2 3.25Å; P86-E92 HydrophobicContact CB-CB 3.77Å; P86-E92 HydrophobicContact CB-CG 4.24Å; E87-E92 WeakPolarHBondContact CA-OE1 3.43Å; E87-E92 WeakPolarHBondContact CB-OE1 3.47Å; E87-E92 PolarHBondContact N-OE1 3.18Å; D88-E92 PolarHBondContact N-OE1 3.3Å; D88-E92 VanDerWaalsContact N-OE1 3.17Å; D88-E92 WeakPolarHBondContact O-CB 3.38Å; D88-E92 PolarHBondContact O-N 3.29Å; E92-I94 PolarHBondContact O-N 2.96Å; E92-R294 IonicContact OE1-CZ 2.83Å; E92-R294 IonicContact OE1-NE 2.73Å; E92-R294 PolarHBondContact OE1-NE 2.9Å; E92-R294 IonicContact OE1-NH2 3.44Å; E92-R294 IonicContact OE2-CZ 2.85Å; E92-R294 VanDerWaalsContact OE2-CZ 3.24Å; E92-R294 IonicContact OE2-NE 2.6Å; E92-R294 PolarHBondContact OE2-NE 3.42Å; E92-R294 IonicContact OE2-NH2 3.68Å; E92-R294 PolarHBondContact OE2-NH2 3.08Å |
| 93 | L | 96.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | trans | -91.6 | 99.6 | -176.1 | -54.9 | -174.1 | 0 | 0 | 0 | 110.3 | F44 P86 V89 T98 Q99 F102 M189 L192 | F44-L93 HydrophobicContact CD2-CD2 4.25Å; F44-L93 HydrophobicContact CE2-CD2 3.71Å; F44-L93 HydrophobicContact CZ-CD2 3.99Å; P86-L93 HydrophobicContact CB-CD2 4.28Å; P86-L93 HydrophobicContact CG-CD1 4.43Å; P86-L93 HydrophobicContact CG-CD2 3.99Å; P86-L93 HydrophobicContact CG-CG 4.24Å; V89-L93 HydrophobicContact CB-CD1 4.02Å; V89-L93 HydrophobicContact CB-CG 4.47Å; V89-L93 HydrophobicContact CG1-CD1 4.24Å; V89-L93 WeakPolarHBondContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 3.38Å; L93-T98 HydrophobicContact CD2-CG2 4.05Å; L93-Q99 HydrophobicContact CB-CG 3.75Å; L93-Q99 PolarHBondContact O-NE2 3.08Å; L93-F102 HydrophobicContact CD1-CB 4.11Å; L93-F102 HydrophobicContact CD1-CD2 4Å; L93-F102 HydrophobicContact CD1-CG 4.07Å; L93-F102 HydrophobicContact CD2-CD2 3.75Å; L93-F102 HydrophobicContact CD2-CE2 3.64Å; L93-F102 HydrophobicContact CD2-CZ 4.32Å; L93-M189 HydrophobicContact CB-CE 4.4Å; L93-L192 HydrophobicContact CD1-CD1 3.95Å | ||
| 94 | I | 95.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.087 | 15% | 0.145 | C | C | . | . | trans | -87 | -49.4 | -164.9 | -55.7 | 163.3 | 0 | 0 | 0 | 112 | E41 E92 V302 M305 K306 A309 | E41-I94 PolarHBondContact OE1-N 2.8Å; E41-I94 PolarHBondContact OE2-N 3.15Å; E92-I94 PolarHBondContact O-N 2.96Å; I94-V302 HydrophobicContact CD1-CG1 3.99Å; I94-M305 HydrophobicContact CD1-CB 4.32Å; I94-M305 HydrophobicContact CD1-CE 4.21Å; I94-M305 HydrophobicContact CG2-CB 4.04Å; I94-M305 WeakPolarHBondContact CG2-O 3.33Å; I94-K306 HydrophobicContact CD1-CG 3.83Å; I94-K306 HydrophobicContact CG1-CG 3.84Å; I94-K306 HydrophobicContact CG2-CG 4.16Å; I94-A309 HydrophobicContact CG2-CB 3.73Å; I94-A309 WeakPolarHBondContact O-CB 3.44Å | ||
| 95 | Q | 94.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -91.7 | 144.5 | -174.8 | -57.1 | -178.6 | -91.1 | 0 | 0 | 112.1 | G38 E41 I97 T98 Q99 M305 | G38-Q95 PolarHBondContact O-NE2 3.35Å; E41-Q95 VanDerWaalsContact OE2-CB 3.28Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.41Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.36Å; E41-Q95 PolarHBondContact OE2-N 3.12Å; Q95-I97 VanDerWaalsContact C-N 3.25Å; Q95-I97 HydrophobicContact CB-CG2 4.02Å; Q95-I97 PolarHBondContact O-N 2.88Å; Q95-T98 WeakPolarHBondContact O-CB 3.17Å; Q95-T98 PolarHBondContact O-N 3.43Å; Q95-Q99 WeakPolarHBondContact O-CG 3.31Å; Q95-Q99 PolarHBondContact O-N 3.23Å; Q95-M305 HydrophobicContact CG-CE 4.4Å |
| 96 | E | 94.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 32% | 0.318 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.3 | -35.6 | 177 | -60.6 | -179.9 | 161.6 | 0 | 0 | 112.6 | R100 E185 K316 | E96-R100 WeakPolarHBondContact O-CB 3.33Å; E96-R100 PolarHBondContact O-N 3.35Å; E96-E185 HydrophobicContact CG-CG 4.17Å; E96-K316 IonicContact OE1-NZ 2.6Å; E96-K316 PolarHBondContact OE1-NZ 2.96Å; E96-K316 IonicContact OE2-NZ 3.05Å; E96-K316 PolarHBondContact OE2-NZ 3.42Å |
| 97 | I | 96.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 32 Ų | 32 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 175.7 | -173.1 | 56.6 | 0 | 0 | 0 | 112.1 | V37 L39 Q95 R100 L101 | V37-I97 HydrophobicContact CG1-CD1 3.98Å; V37-I97 HydrophobicContact CG1-CG1 3.59Å; L39-I97 HydrophobicContact CB-CG2 4.26Å; L39-I97 HydrophobicContact CD1-CG2 4.44Å; L39-I97 HydrophobicContact CG-CG2 4.49Å; Q95-I97 VanDerWaalsContact C-N 3.25Å; Q95-I97 HydrophobicContact CB-CG2 4.02Å; Q95-I97 PolarHBondContact O-N 2.88Å; I97-R100 PolarHBondContact O-N 3.39Å; I97-L101 HydrophobicContact CD1-CD1 4.47Å; I97-L101 HydrophobicContact CD1-CG 4.28Å; I97-L101 HydrophobicContact CG1-CD1 4.37Å; I97-L101 WeakPolarHBondContact O-CB 3.23Å; I97-L101 VanDerWaalsContact O-CG 3.32Å; I97-L101 WeakPolarHBondContact O-CG 3.46Å; I97-L101 PolarHBondContact O-N 3.26Å |
| 98 | T | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -49.6 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | E41 F44 F45 L93 Q95 R100 L101 F102 | E41-T98 HydrophobicContact CB-CG2 4.15Å; E41-T98 WeakPolarHBondContact OE2-CB 3.48Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.32Å; E41-T98 PolarHBondContact OE2-OG1 3.42Å; F44-T98 HydrophobicContact CD2-CG2 4.3Å; F45-T98 HydrophobicContact CE2-CG2 4Å; F45-T98 HydrophobicContact CZ-CG2 4.17Å; L93-T98 HydrophobicContact CD2-CG2 4.05Å; Q95-T98 WeakPolarHBondContact O-CB 3.17Å; Q95-T98 PolarHBondContact O-N 3.43Å; T98-R100 VanDerWaalsContact C-N 3.32Å; T98-R100 PolarHBondContact O-N 2.85Å; T98-L101 PolarHBondContact O-N 2.89Å; T98-F102 HydrophobicContact CG2-CD2 3.89Å; T98-F102 HydrophobicContact CG2-CE2 4.03Å; T98-F102 WeakPolarHBondContact O-CD2 3.45Å; T98-F102 PolarHBondContact O-N 3.47Å |
| 99 | Q | 97.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 176.2 | -66.9 | 172.9 | 10.9 | 0 | 0 | 111.2 | L93 Q95 F102 F103 M189 | L93-Q99 HydrophobicContact CB-CG 3.75Å; L93-Q99 PolarHBondContact O-NE2 3.08Å; Q95-Q99 WeakPolarHBondContact O-CG 3.31Å; Q95-Q99 PolarHBondContact O-N 3.23Å; Q99-F102 PolarHBondContact O-N 3.47Å; Q99-F103 VanDerWaalsContact O-CB 3.29Å; Q99-F103 WeakPolarHBondContact O-CB 3.45Å; Q99-F103 PolarHBondContact O-N 3.32Å; Q99-M189 HydrophobicContact CG-CE 3.82Å |
| 100 | R | 97.9 | Very high | 96.8 | Very high | 108 Ų | 108 | 34.5 Ų | 34.5 | 41% | 0.408 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.9 | -176.9 | 172.9 | 178.6 | -130.1 | -8.8 | 112.9 | D13 E96 I97 T98 F103 L104 M188 | D13-R100 IonicContact OD2-CZ 2.82Å; D13-R100 IonicContact OD2-NE 3.8Å; D13-R100 IonicContact OD2-NH1 3.72Å; D13-R100 PolarHBondContact OD2-NH1 3.5Å; D13-R100 IonicContact OD2-NH2 2.77Å; D13-R100 PolarHBondContact OD2-NH2 2.92Å; E96-R100 WeakPolarHBondContact O-CB 3.33Å; E96-R100 PolarHBondContact O-N 3.35Å; I97-R100 PolarHBondContact O-N 3.39Å; T98-R100 VanDerWaalsContact C-N 3.32Å; T98-R100 PolarHBondContact O-N 2.85Å; R100-F103 PolarHBondContact O-N 3.48Å; R100-L104 HydrophobicContact CG-CD1 4.12Å; R100-L104 WeakPolarHBondContact O-CB 3.35Å; R100-L104 VanDerWaalsContact O-CG 3.28Å; R100-L104 WeakPolarHBondContact O-CG 3.3Å; R100-L104 PolarHBondContact O-N 2.92Å; R100-M188 HydrophobicContact CB-CE 4.03Å; R100-M188 HydrophobicContact CB-SD 3.9Å; R100-M188 HydrophobicContact CG-CE 4.38Å; R100-M188 HydrophobicContact CG-SD 3.89Å |
| 101 | L | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 177.9 | -71 | 178.6 | 0 | 0 | 0 | 112 | M12 D13 V37 L39 F45 F80 I97 T98 Q105 | M12-L101 HydrophobicContact CB-CD2 3.85Å; M12-L101 HydrophobicContact CG-CD2 4.17Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.24Å; V37-L101 HydrophobicContact CG1-CD1 4.36Å; L39-L101 HydrophobicContact CD1-CD1 3.85Å; F45-L101 HydrophobicContact CE1-CB 4.05Å; F45-L101 HydrophobicContact CE1-CD1 4.12Å; F45-L101 HydrophobicContact CZ-CB 4.2Å; F45-L101 HydrophobicContact CZ-CD1 4.35Å; F80-L101 HydrophobicContact CD1-CD1 4.22Å; F80-L101 HydrophobicContact CE1-CD1 3.83Å; I97-L101 HydrophobicContact CD1-CD1 4.47Å; I97-L101 HydrophobicContact CD1-CG 4.28Å; I97-L101 HydrophobicContact CG1-CD1 4.37Å; I97-L101 WeakPolarHBondContact O-CB 3.23Å; I97-L101 VanDerWaalsContact O-CG 3.32Å; I97-L101 WeakPolarHBondContact O-CG 3.46Å; I97-L101 PolarHBondContact O-N 3.26Å; T98-L101 PolarHBondContact O-N 2.89Å; L101-Q105 WeakPolarHBondContact O-CB 3.37Å; L101-Q105 PolarHBondContact O-N 3Å |
| 102 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -49.9 | 172.3 | -93.7 | -78.1 | 0 | 0 | 0 | 111.9 | F44 F45 A82 F84 F85 L93 T98 Q99 L104 Q105 V106 L192 | F44-F102 HydrophobicContact CB-CE2 3.78Å; F44-F102 HydrophobicContact CB-CZ 3.75Å; F44-F102 HydrophobicContact CD1-CE2 4.31Å; F44-F102 AromaticContact CD1-CZ 3.94Å; F44-F102 HydrophobicContact CD1-CZ 3.94Å; F44-F102 AromaticContact CD2-CE2 3.88Å; F44-F102 HydrophobicContact CD2-CE2 3.88Å; F44-F102 HydrophobicContact CD2-CZ 4.33Å; F44-F102 AromaticContact CG-CE2 3.74Å; F44-F102 HydrophobicContact CG-CE2 3.74Å; F44-F102 AromaticContact CG-CZ 3.76Å; F44-F102 HydrophobicContact CG-CZ 3.76Å; F45-F102 HydrophobicContact CE2-CE2 4.29Å; F45-F102 HydrophobicContact CZ-CD2 4.12Å; F45-F102 AromaticContact CZ-CE2 3.99Å; F45-F102 HydrophobicContact CZ-CE2 3.99Å; A82-F102 HydrophobicContact CB-CD1 4.16Å; A82-F102 HydrophobicContact CB-CE1 3.61Å; A82-F102 HydrophobicContact CB-CE2 4.31Å; A82-F102 HydrophobicContact CB-CZ 3.72Å; F84-F102 WeakPolarHBondContact O-CZ 3.42Å; F85-F102 HydrophobicContact CD1-CD1 4.14Å; F85-F102 AromaticContact CD1-CE1 3.69Å; F85-F102 HydrophobicContact CD1-CE1 3.69Å; F85-F102 HydrophobicContact CE1-CD1 4.18Å; F85-F102 HydrophobicContact CE1-CE1 4.02Å; F85-F102 HydrophobicContact CG-CE1 4.15Å; L93-F102 HydrophobicContact CD1-CB 4.11Å; L93-F102 HydrophobicContact CD1-CD2 4Å; L93-F102 HydrophobicContact CD1-CG 4.07Å; L93-F102 HydrophobicContact CD2-CD2 3.75Å; L93-F102 HydrophobicContact CD2-CE2 3.64Å; L93-F102 HydrophobicContact CD2-CZ 4.32Å; T98-F102 HydrophobicContact CG2-CD2 3.89Å; T98-F102 HydrophobicContact CG2-CE2 4.03Å; T98-F102 WeakPolarHBondContact O-CD2 3.45Å; T98-F102 PolarHBondContact O-N 3.47Å; Q99-F102 PolarHBondContact O-N 3.47Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 3.41Å; F102-Q105 PolarHBondContact O-N 3.14Å; F102-V106 WeakPolarHBondContact O-CB 3.5Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.3Å; F102-V106 PolarHBondContact O-N 3.1Å; F102-L192 HydrophobicContact CB-CD1 3.95Å; F102-L192 HydrophobicContact CB-CD2 4.27Å |
| 103 | F | 98.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.7 | -50.2 | 177.6 | 158.5 | -104 | 0 | 0 | 0 | 111.3 | Q99 R100 K107 A129 A132 M188 Y191 L192 | Q99-F103 VanDerWaalsContact O-CB 3.29Å; Q99-F103 WeakPolarHBondContact O-CB 3.45Å; Q99-F103 PolarHBondContact O-N 3.32Å; R100-F103 PolarHBondContact O-N 3.48Å; F103-K107 HydrophobicContact CE2-CD 4.27Å; F103-K107 HydrophobicContact CZ-CD 3.99Å; F103-K107 WeakPolarHBondContact O-CB 3.45Å; F103-K107 PolarHBondContact O-N 2.69Å; F103-A129 HydrophobicContact CE2-CB 4.26Å; F103-A129 HydrophobicContact CZ-CB 4.08Å; F103-A132 HydrophobicContact CE1-CB 4.33Å; F103-A132 HydrophobicContact CZ-CB 3.94Å; F103-M188 HydrophobicContact CB-CB 3.94Å; F103-M188 HydrophobicContact CB-CG 4.11Å; F103-M188 HydrophobicContact CB-SD 4.31Å; F103-M188 HydrophobicContact CD1-CB 4.27Å; F103-M188 HydrophobicContact CD1-CG 3.5Å; F103-M188 HydrophobicContact CD1-SD 3.49Å; F103-M188 WeakPolarHBondContact CD1-SD 3.38Å; F103-M188 HydrophobicContact CD2-CB 4.13Å; F103-M188 HydrophobicContact CD2-CG 3.99Å; F103-M188 HydrophobicContact CE1-CG 3.83Å; F103-M188 HydrophobicContact CE1-SD 4.01Å; F103-M188 HydrophobicContact CE2-CG 4.28Å; F103-M188 HydrophobicContact CG-CB 3.86Å; F103-M188 HydrophobicContact CG-CG 3.59Å; F103-M188 HydrophobicContact CG-SD 4.03Å; F103-M188 HydrophobicContact CZ-CG 4.2Å; F103-Y191 AromaticContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD2 4.12Å; F103-Y191 HydrophobicContact CD2-CE1 4.32Å; F103-Y191 AromaticContact CD2-CG 3.61Å; F103-Y191 HydrophobicContact CD2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CD1 4.04Å; F103-Y191 AromaticContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CE2 4.13Å; F103-Y191 AromaticContact CE2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CG 3.61Å; F103-L192 HydrophobicContact CB-CD1 4.19Å; F103-L192 HydrophobicContact CB-CG 4.29Å |
| 104 | L | 98.5 | Very high | 97.6 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | -179.6 | -68.6 | 173 | 0 | 0 | 0 | 112.3 | M12 D13 R100 F102 K107 E108 | M12-L104 HydrophobicContact CB-CB 3.55Å; M12-L104 HydrophobicContact CB-CD1 3.76Å; M12-L104 HydrophobicContact CB-CG 4.32Å; M12-L104 HydrophobicContact CE-CB 4.08Å; M12-L104 HydrophobicContact CG-CB 3.91Å; D13-L104 HydrophobicContact CB-CD1 3.87Å; R100-L104 HydrophobicContact CG-CD1 4.12Å; R100-L104 WeakPolarHBondContact O-CB 3.35Å; R100-L104 VanDerWaalsContact O-CG 3.28Å; R100-L104 WeakPolarHBondContact O-CG 3.3Å; R100-L104 PolarHBondContact O-N 2.92Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 3.41Å; L104-K107 PolarHBondContact O-N 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.23Å; L104-E108 PolarHBondContact O-N 3.08Å |
| 105 | Q | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 179.3 | -175.8 | 174.2 | -46.3 | 0 | 0 | 112 | M12 A82 L101 F102 E108 A109 | M12-Q105 HydrophobicContact CG-CB 4.09Å; M12-Q105 HydrophobicContact SD-CB 3.77Å; M12-Q105 HydrophobicContact SD-CG 4.26Å; A82-Q105 PolarHBondContact O-NE2 2.93Å; L101-Q105 WeakPolarHBondContact O-CB 3.37Å; L101-Q105 PolarHBondContact O-N 3Å; F102-Q105 PolarHBondContact O-N 3.14Å; Q105-E108 PolarHBondContact O-N 3.37Å; Q105-A109 PolarHBondContact O-N 3.15Å |
| 106 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110.4 | F85 F102 A109 I110 Y191 L192 A195 Y201 | F85-V106 HydrophobicContact CE1-CG2 3.97Å; F102-V106 WeakPolarHBondContact O-CB 3.5Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.3Å; F102-V106 PolarHBondContact O-N 3.1Å; V106-A109 PolarHBondContact O-N 3.27Å; V106-I110 HydrophobicContact CG1-CD1 3.9Å; V106-I110 WeakPolarHBondContact O-CG1 3.2Å; V106-I110 PolarHBondContact O-N 3.38Å; V106-Y191 HydrophobicContact CG1-CE1 4.25Å; V106-L192 HydrophobicContact CB-CD2 4.08Å; V106-L192 HydrophobicContact CG1-CD2 4.41Å; V106-L192 HydrophobicContact CG2-CD2 3.87Å; V106-A195 HydrophobicContact CG1-CB 3.71Å; V106-Y201 HydrophobicContact CG1-CD2 4.05Å; V106-Y201 HydrophobicContact CG1-CE2 3.98Å; V106-Y201 HydrophobicContact CG2-CD2 4.34Å; V106-Y201 HydrophobicContact CG2-CE2 3.7Å |
| 107 | K | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 23% | 0.226 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 173.6 | -170.3 | -177.7 | 70.9 | 65.7 | 0 | 112.4 | F103 L104 L111 A129 Y191 | F103-K107 HydrophobicContact CE2-CD 4.27Å; F103-K107 HydrophobicContact CZ-CD 3.99Å; F103-K107 WeakPolarHBondContact O-CB 3.45Å; F103-K107 PolarHBondContact O-N 2.69Å; L104-K107 PolarHBondContact O-N 3.41Å; K107-L111 HydrophobicContact CG-CD1 3.88Å; K107-L111 HydrophobicContact CG-CG 4.32Å; K107-L111 WeakPolarHBondContact O-CB 3.35Å; K107-L111 WeakPolarHBondContact O-CD1 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.37Å; K107-L111 PolarHBondContact O-N 3.2Å; K107-A129 HydrophobicContact CD-CB 3.76Å; K107-Y191 WeakPolarHBondContact CA-OH 3.39Å; K107-Y191 HydrophobicContact CB-CE1 4.17Å; K107-Y191 HydrophobicContact CD-CE2 4.5Å; K107-Y191 HydrophobicContact CG-CE2 4.3Å |
| 108 | E | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 30.2 Ų | 30.2 | 36% | 0.36 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 172.7 | 176.8 | 166.1 | -107.1 | 0 | 0 | 110.9 | M12 R81 L104 Q105 L111 N112 | M12-E108 HydrophobicContact CE-CB 3.97Å; M12-E108 HydrophobicContact CE-CG 4.49Å; M12-E108 WeakPolarHBondContact CE-OE2 3.43Å; R81-E108 IonicContact NE-OE2 3.68Å; R81-E108 IonicContact NH2-OE2 3.64Å; L104-E108 WeakPolarHBondContact O-CB 3.23Å; L104-E108 PolarHBondContact O-N 3.08Å; Q105-E108 PolarHBondContact O-N 3.37Å; E108-L111 PolarHBondContact O-N 3.31Å; E108-N112 WeakPolarHBondContact O-CB 3.29Å; E108-N112 VanDerWaalsContact O-CG 3.25Å; E108-N112 PolarHBondContact O-N 3.16Å; E108-N112 PolarHBondContact O-ND2 2.92Å |
| 109 | A | 98.3 | Very high | 98.2 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q105 V106 D113 E114 I115 | Q105-A109 PolarHBondContact O-N 3.15Å; V106-A109 PolarHBondContact O-N 3.27Å; A109-D113 PolarHBondContact O-N 2.63Å; A109-E114 HydrophobicContact CB-CB 4.18Å; A109-E114 WeakPolarHBondContact O-CB 3.44Å; A109-E114 PolarHBondContact O-N 3.08Å; A109-I115 HydrophobicContact CB-CD1 3.77Å; A109-I115 HydrophobicContact CB-CG1 3.99Å; A109-I115 PolarHBondContact O-N 3.32Å |
| 110 | I | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -46.7 | 176 | -71.3 | 171.2 | 0 | 0 | 0 | 111 | V106 N112 D113 I115 C117 L125 P154 Y191 A195 L198 | V106-I110 HydrophobicContact CG1-CD1 3.9Å; V106-I110 WeakPolarHBondContact O-CG1 3.2Å; V106-I110 PolarHBondContact O-N 3.38Å; I110-N112 PolarHBondContact O-N 3.05Å; I110-D113 PolarHBondContact O-N 3.21Å; I110-I115 HydrophobicContact CG1-CB 3.92Å; I110-I115 HydrophobicContact CG1-CG2 3.93Å; I110-C117 HydrophobicContact CG2-CB 3.83Å; I110-L125 HydrophobicContact CD1-CD1 3.86Å; I110-P154 HydrophobicContact CG2-CG 4.27Å; I110-P154 WeakPolarHBondContact O-CG 3.5Å; I110-Y191 HydrophobicContact CD1-CE1 4.39Å; I110-A195 HydrophobicContact CD1-CB 4.06Å; I110-L198 HydrophobicContact CD1-CD1 3.7Å; I110-L198 HydrophobicContact CG1-CD1 4.24Å |
| 111 | L | 98.3 | Very high | 98.2 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -29.2 | -179.9 | -70.4 | 171.5 | 0 | 0 | 0 | 112.9 | K107 E108 D113 R151 L152 | K107-L111 HydrophobicContact CG-CD1 3.88Å; K107-L111 HydrophobicContact CG-CG 4.32Å; K107-L111 WeakPolarHBondContact O-CB 3.35Å; K107-L111 WeakPolarHBondContact O-CD1 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.37Å; K107-L111 PolarHBondContact O-N 3.2Å; E108-L111 PolarHBondContact O-N 3.31Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-R151 VanDerWaalsContact C-NH2 3.29Å; L111-R151 HydrophobicContact CD1-CG 4.49Å; L111-R151 WeakPolarHBondContact CD1-O 3.27Å; L111-R151 HydrophobicContact CD2-CG 4.42Å; L111-R151 WeakPolarHBondContact CD2-O 3.33Å; L111-R151 PolarHBondContact O-NH2 2.84Å; L111-L152 WeakPolarHBondContact CD2-O 3.5Å |
| 112 | N | 97.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 34% | 0.337 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.3 | 175.4 | -69.6 | -19.4 | 0 | 0 | 0 | 114 | E108 I110 E114 R151 | E108-N112 WeakPolarHBondContact O-CB 3.29Å; E108-N112 VanDerWaalsContact O-CG 3.25Å; E108-N112 PolarHBondContact O-N 3.16Å; E108-N112 PolarHBondContact O-ND2 2.92Å; I110-N112 PolarHBondContact O-N 3.05Å; N112-E114 HydrophobicContact CB-CG 3.99Å; N112-E114 PolarHBondContact O-N 2.81Å; N112-R151 VanDerWaalsContact OD1-CZ 3.26Å; N112-R151 PolarHBondContact OD1-NH1 3.31Å; N112-R151 PolarHBondContact OD1-NH2 3.4Å |
| 113 | D | 97.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.2 | -171.4 | -81.2 | -68.4 | 0 | 0 | 0 | 113.5 | A109 I110 L111 P154 R156 | A109-D113 PolarHBondContact O-N 2.63Å; I110-D113 PolarHBondContact O-N 3.21Å; L111-D113 VanDerWaalsContact C-N 3.33Å; D113-P154 WeakPolarHBondContact OD2-CB 3.3Å; D113-R156 IonicContact OD1-CZ 3.46Å; D113-R156 VanDerWaalsContact OD1-CZ 3.22Å; D113-R156 IonicContact OD1-NE 3.03Å; D113-R156 PolarHBondContact OD1-NE 3.47Å; D113-R156 IonicContact OD1-NH2 3.7Å; D113-R156 PolarHBondContact OD1-NH2 3.34Å |
| 114 | E | 97 | Very high | 98.2 | Very high | 129 Ų | 129 | 26.1 Ų | 26.1 | 60% | 0.603 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -70.5 | -34.9 | 169.9 | -64.8 | -179.6 | -165.7 | 0 | 0 | 111.2 | A109 N112 M200 | A109-E114 HydrophobicContact CB-CB 4.18Å; A109-E114 WeakPolarHBondContact O-CB 3.44Å; A109-E114 PolarHBondContact O-N 3.08Å; N112-E114 HydrophobicContact CB-CG 3.99Å; N112-E114 PolarHBondContact O-N 2.81Å; E114-M200 WeakPolarHBondContact O-CE 3.36Å |
| 115 | I | 98.3 | Very high | 98.2 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -108.2 | 117.7 | 166.9 | -65.4 | 172.9 | 0 | 0 | 0 | 106.8 | A109 I110 C117 L198 M200 | A109-I115 HydrophobicContact CB-CD1 3.77Å; A109-I115 HydrophobicContact CB-CG1 3.99Å; A109-I115 PolarHBondContact O-N 3.32Å; I110-I115 HydrophobicContact CG1-CB 3.92Å; I110-I115 HydrophobicContact CG1-CG2 3.93Å; I115-C117 PolarHBondContact O-N 2.89Å; I115-L198 HydrophobicContact CG2-CB 4.17Å; I115-L198 HydrophobicContact CG2-CD1 3.86Å; I115-M200 HydrophobicContact CG2-CB 4.25Å |
| 116 | Y | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | trans | -59.7 | 134.5 | 171.3 | 173.9 | -95.7 | 0 | 0 | 0 | 110.7 | P118 M200 L234 N547 D548 H551 | Y116-P118 HydrophobicContact CE1-CB 4.31Å; Y116-M200 VanDerWaalsContact CB-SD 3.56Å; Y116-M200 PolarHBondContact N-SD 3.41Å; Y116-M200 VanDerWaalsContact N-SD 3.45Å; Y116-L234 HydrophobicContact CD1-CD1 4.02Å; Y116-L234 HydrophobicContact CD1-CD2 4.03Å; Y116-L234 HydrophobicContact CE1-CD1 4.28Å; Y116-L234 HydrophobicContact CG-CD1 4.45Å; Y116-L234 HydrophobicContact CG-CD2 4.1Å; Y116-N547 HydrophobicContact CD2-CB 3.39Å; Y116-N547 HydrophobicContact CE2-CB 3.66Å; Y116-N547 HydrophobicContact CG-CB 4Å; Y116-D548 WeakPolarHBondContact CE2-OD1 3.3Å; Y116-D548 PolarHBondContact OH-OD1 3.47Å; Y116-H551 HydrophobicContact CE1-CB 3.58Å; Y116-H551 AromaticContact CE1-CG 3.59Å; Y116-H551 AromaticContact CE1-ND1 3.85Å | ||
| 117 | C | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -137.7 | 126 | 175.4 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | I110 I115 R156 L198 | I110-C117 HydrophobicContact CG2-CB 3.83Å; I115-C117 PolarHBondContact O-N 2.89Å; C117-R156 PolarHBondContact O-NH1 2.83Å; C117-R156 PolarHBondContact O-NH2 2.93Å; C117-L198 HydrophobicContact CB-CD1 4.07Å | ||
| 118 | P | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | trans | -67.3 | 151.3 | 176.5 | 30.5 | -35.7 | 0 | 0 | 0 | 110.5 | Y116 E120 T121 A122 | Y116-P118 HydrophobicContact CE1-CB 4.31Å; P118-E120 PolarHBondContact O-N 3.49Å; P118-T121 PolarHBondContact O-N 2.63Å; P118-T121 VanDerWaalsContact O-N 3.14Å; P118-A122 PolarHBondContact O-N 2.83Å | ||
| 119 | P | 98 | Very high | 98.2 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.5 | -36.8 | -166.8 | 23.9 | -33.6 | 0 | 0 | 0 | 114.2 | A122 V123 V157 L535 | P119-A122 PolarHBondContact O-N 3.3Å; P119-V123 WeakPolarHBondContact O-CG2 3.22Å; P119-V123 PolarHBondContact O-N 2.86Å; P119-V123 VanDerWaalsContact O-N 3.07Å; P119-V157 HydrophobicContact CB-CG1 3.81Å; P119-V157 HydrophobicContact CB-CG2 4.19Å; P119-L535 HydrophobicContact CB-CD1 4.23Å |
| 120 | E | 97.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 17.3 Ų | 17.3 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.5 | 57.7 | -89.2 | -132.5 | 0 | 0 | 112 | P118 V123 L124 L528 L531 L535 | P118-E120 PolarHBondContact O-N 3.49Å; E120-V123 PolarHBondContact O-N 2.84Å; E120-L124 PolarHBondContact O-N 3.38Å; E120-L124 VanDerWaalsContact O-N 3.15Å; E120-L528 HydrophobicContact CG-CD2 4.49Å; E120-L531 HydrophobicContact CB-CB 3.89Å; E120-L535 HydrophobicContact CB-CD1 4.48Å |
| 121 | T | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 17.1 Ų | 17.1 | 9% | 0.092 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.6 | -37.4 | 175.8 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | P118 V123 L124 L125 I194 L198 | P118-T121 PolarHBondContact O-N 2.63Å; P118-T121 VanDerWaalsContact O-N 3.14Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.35Å; T121-L124 PolarHBondContact O-N 3.25Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.09Å; T121-L125 VanDerWaalsContact O-CB 3.26Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 VanDerWaalsContact O-CG 3.23Å; T121-L125 WeakPolarHBondContact O-CG 3.31Å; T121-L125 PolarHBondContact O-N 3.17Å; T121-I194 HydrophobicContact CG2-CG2 3.58Å; T121-L198 HydrophobicContact CG2-CD2 4.32Å |
| 122 | A | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.033 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P118 P119 A126 L153 P154 V157 | P118-A122 PolarHBondContact O-N 2.83Å; P119-A122 PolarHBondContact O-N 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 3.36Å; A122-L153 HydrophobicContact CB-CD2 3.95Å; A122-L153 WeakPolarHBondContact O-CD2 3.24Å; A122-P154 HydrophobicContact CB-CG 4.46Å; A122-V157 HydrophobicContact CB-CG2 4.08Å |
| 123 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.8 | -40.8 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | P119 E120 T121 A126 S127 L153 W168 I172 L531 L535 | P119-V123 WeakPolarHBondContact O-CG2 3.22Å; P119-V123 PolarHBondContact O-N 2.86Å; P119-V123 VanDerWaalsContact O-N 3.07Å; E120-V123 PolarHBondContact O-N 2.84Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.35Å; V123-A126 WeakPolarHBondContact O-CB 3.24Å; V123-A126 PolarHBondContact O-N 3.14Å; V123-S127 PolarHBondContact O-N 2.86Å; V123-L153 HydrophobicContact CG2-CD1 4.34Å; V123-L153 HydrophobicContact CG2-CD2 3.95Å; V123-W168 HydrophobicContact CG2-CE3 4.25Å; V123-W168 HydrophobicContact CG2-CH2 4.42Å; V123-W168 HydrophobicContact CG2-CZ3 3.57Å; V123-I172 HydrophobicContact CG1-CG1 4.13Å; V123-L531 HydrophobicContact CB-CD1 4.41Å; V123-L531 HydrophobicContact CB-CD2 3.82Å; V123-L531 HydrophobicContact CG1-CD1 4.43Å; V123-L531 HydrophobicContact CG1-CD2 3.47Å; V123-L531 VanDerWaalsContact CG1-CD2 3.47Å; V123-L535 HydrophobicContact CG2-CD1 4.05Å |
| 124 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.2 | -174.5 | 56.5 | 0 | 0 | 0 | 110.6 | E120 T121 A126 S127 Y128 I194 V524 Q527 L528 L531 | E120-L124 PolarHBondContact O-N 3.38Å; E120-L124 VanDerWaalsContact O-N 3.15Å; T121-L124 PolarHBondContact O-N 3.25Å; L124-A126 VanDerWaalsContact C-N 3.3Å; L124-A126 PolarHBondContact O-N 2.98Å; L124-S127 PolarHBondContact O-N 3.42Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S127 PolarHBondContact O-OG 3.41Å; L124-Y128 HydrophobicContact CD1-CD2 4.28Å; L124-Y128 HydrophobicContact CD1-CE2 3.74Å; L124-Y128 HydrophobicContact CD2-CE2 4.38Å; L124-Y128 HydrophobicContact CG-CD2 4.15Å; L124-Y128 HydrophobicContact CG-CE2 3.76Å; L124-Y128 VanDerWaalsContact O-CD2 3.26Å; L124-Y128 WeakPolarHBondContact O-CD2 3.36Å; L124-Y128 PolarHBondContact O-N 2.8Å; L124-I194 HydrophobicContact CD2-CD1 3.98Å; L124-I194 HydrophobicContact CG-CD1 4.32Å; L124-V524 HydrophobicContact CD2-CG1 4.19Å; L124-Q527 HydrophobicContact CD1-CB 4.12Å; L124-Q527 HydrophobicContact CD2-CB 4.15Å; L124-L528 HydrophobicContact CB-CD2 4.19Å; L124-L528 HydrophobicContact CD2-CD2 3.67Å; L124-L528 HydrophobicContact CD2-CG 3.82Å; L124-L531 HydrophobicContact CB-CD1 3.72Å; L124-L531 HydrophobicContact CD1-CD1 4.43Å |
| 125 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.5 | -38.8 | 173.6 | -73.7 | -179.6 | 0 | 0 | 0 | 112.4 | I110 T121 S127 Y128 A129 Y191 I194 A195 | I110-L125 HydrophobicContact CD1-CD1 3.86Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.09Å; T121-L125 VanDerWaalsContact O-CB 3.26Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 VanDerWaalsContact O-CG 3.23Å; T121-L125 WeakPolarHBondContact O-CG 3.31Å; T121-L125 PolarHBondContact O-N 3.17Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-S127 PolarHBondContact O-N 3.47Å; L125-Y128 PolarHBondContact O-N 3.17Å; L125-A129 WeakPolarHBondContact O-CB 3.46Å; L125-A129 PolarHBondContact O-N 3.33Å; L125-Y191 HydrophobicContact CB-CD2 4Å; L125-Y191 HydrophobicContact CB-CE2 3.54Å; L125-Y191 HydrophobicContact CD2-CD1 4.03Å; L125-Y191 HydrophobicContact CD2-CD2 3.71Å; L125-Y191 HydrophobicContact CD2-CE1 4.18Å; L125-Y191 HydrophobicContact CD2-CE2 3.9Å; L125-Y191 HydrophobicContact CD2-CG 3.75Å; L125-Y191 VanDerWaalsContact CD2-O 3.32Å; L125-Y191 WeakPolarHBondContact CD2-O 3.18Å; L125-Y191 HydrophobicContact CG-CD2 4.42Å; L125-Y191 HydrophobicContact CG-CE2 4.19Å; L125-Y191 WeakPolarHBondContact O-CD2 3.23Å; L125-Y191 WeakPolarHBondContact O-CE2 3.48Å; L125-I194 HydrophobicContact CD2-CB 3.89Å; L125-I194 HydrophobicContact CD2-CG2 3.8Å; L125-I194 HydrophobicContact CG-CG2 4.16Å; L125-A195 HydrophobicContact CD1-CB 4.5Å |
| 126 | A | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A122 V123 L124 A129 V130 L152 L153 I172 | A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 3.36Å; V123-A126 WeakPolarHBondContact O-CB 3.24Å; V123-A126 PolarHBondContact O-N 3.14Å; L124-A126 VanDerWaalsContact C-N 3.3Å; L124-A126 PolarHBondContact O-N 2.98Å; A126-A129 PolarHBondContact O-N 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.43Å; A126-V130 PolarHBondContact O-N 2.83Å; A126-L152 HydrophobicContact CB-CB 4.14Å; A126-L152 WeakPolarHBondContact CB-O 3.45Å; A126-L153 HydrophobicContact CB-CD2 4.12Å; A126-I172 HydrophobicContact CB-CD1 3.97Å; A126-I172 HydrophobicContact CB-CG1 4.14Å; A126-I172 HydrophobicContact CB-CG2 4.17Å |
| 127 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 178.4 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | V123 L124 L125 V130 Q131 H179 | V123-S127 PolarHBondContact O-N 2.86Å; L124-S127 PolarHBondContact O-N 3.42Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S127 PolarHBondContact O-OG 3.41Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-S127 PolarHBondContact O-N 3.47Å; S127-V130 PolarHBondContact O-N 3.22Å; S127-Q131 PolarHBondContact O-N 3.49Å; S127-H179 PolarHBondContact OG-NE2 2.81Å |
| 128 | Y | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 170.9 | -75.3 | -71.4 | 0 | 0 | 0 | 111.8 | L124 L125 V130 Q131 A132 H179 M182 S187 E190 I194 | L124-Y128 HydrophobicContact CD1-CD2 4.28Å; L124-Y128 HydrophobicContact CD1-CE2 3.74Å; L124-Y128 HydrophobicContact CD2-CE2 4.38Å; L124-Y128 HydrophobicContact CG-CD2 4.15Å; L124-Y128 HydrophobicContact CG-CE2 3.76Å; L124-Y128 VanDerWaalsContact O-CD2 3.26Å; L124-Y128 WeakPolarHBondContact O-CD2 3.36Å; L124-Y128 PolarHBondContact O-N 2.8Å; L125-Y128 PolarHBondContact O-N 3.17Å; Y128-V130 VanDerWaalsContact C-N 3.29Å; Y128-V130 PolarHBondContact O-N 2.61Å; Y128-Q131 PolarHBondContact O-N 2.91Å; Y128-A132 WeakPolarHBondContact O-CB 3.41Å; Y128-A132 PolarHBondContact O-N 2.77Å; Y128-H179 AromaticContact CD1-CE1 3.85Å; Y128-H179 AromaticContact CD1-NE2 3.88Å; Y128-H179 AromaticContact CE1-CE1 3.38Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.29Å; Y128-H179 AromaticContact CE1-ND1 3.62Å; Y128-H179 AromaticContact CE1-NE2 3.9Å; Y128-H179 AromaticContact CE2-CE1 3.76Å; Y128-H179 AromaticContact CG-NE2 3.95Å; Y128-H179 AromaticContact CZ-CE1 3.33Å; Y128-H179 AromaticContact CZ-ND1 3.94Å; Y128-H179 AromaticContact CZ-NE2 3.98Å; Y128-M182 HydrophobicContact CD1-SD 4.01Å; Y128-M182 HydrophobicContact CE1-CE 3.95Å; Y128-M182 HydrophobicContact CE1-SD 3.75Å; Y128-S187 PolarHBondContact O-OG 2.89Å; Y128-S187 VanDerWaalsContact O-OG 3.09Å; Y128-E190 HydrophobicContact CD1-CB 3.89Å; Y128-E190 HydrophobicContact CE1-CB 3.51Å; Y128-E190 HydrophobicContact CE1-CG 4.09Å; Y128-I194 HydrophobicContact CD2-CD1 4.09Å; Y128-I194 HydrophobicContact CE2-CD1 3.5Å |
| 129 | A | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 27 Ų | 27 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.3 | -31.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F103 K107 L125 A126 K133 Y191 | F103-A129 HydrophobicContact CE2-CB 4.26Å; F103-A129 HydrophobicContact CZ-CB 4.08Å; K107-A129 HydrophobicContact CD-CB 3.76Å; L125-A129 WeakPolarHBondContact O-CB 3.46Å; L125-A129 PolarHBondContact O-N 3.33Å; A126-A129 PolarHBondContact O-N 3.29Å; A129-K133 WeakPolarHBondContact O-CB 3.4Å; A129-K133 PolarHBondContact O-N 3.37Å; A129-Y191 HydrophobicContact CB-CD2 4.26Å; A129-Y191 HydrophobicContact CB-CE2 4.08Å |
| 130 | V | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.2 | -49.2 | 172.6 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | A126 S127 Y128 A132 K133 Y134 Y146 L147 L152 I172 H176 | A126-V130 WeakPolarHBondContact O-CG2 3.43Å; A126-V130 PolarHBondContact O-N 2.83Å; S127-V130 PolarHBondContact O-N 3.22Å; Y128-V130 VanDerWaalsContact C-N 3.29Å; Y128-V130 PolarHBondContact O-N 2.61Å; V130-A132 VanDerWaalsContact C-N 3.32Å; V130-A132 PolarHBondContact O-N 2.89Å; V130-K133 PolarHBondContact O-N 3.46Å; V130-K133 VanDerWaalsContact O-N 3.11Å; V130-Y134 HydrophobicContact CG1-CD2 3.9Å; V130-Y134 PolarHBondContact O-N 2.72Å; V130-Y146 HydrophobicContact CG1-CE2 4.3Å; V130-L147 HydrophobicContact CB-CD2 4.5Å; V130-L147 HydrophobicContact CG1-CD2 3.85Å; V130-L147 HydrophobicContact CG2-CD1 4.25Å; V130-L147 HydrophobicContact CG2-CD2 3.73Å; V130-L152 HydrophobicContact CG2-CD1 3.94Å; V130-L152 HydrophobicContact CG2-CD2 3.7Å; V130-I172 HydrophobicContact CG2-CG2 3.91Å; V130-H176 HydrophobicContact CG1-CB 4.18Å; V130-H176 VanDerWaalsContact CG1-ND1 3.3Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.4Å |
| 131 | Q | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -41.9 | 175.3 | 178.2 | 72.6 | 18.6 | 0 | 0 | 111.6 | S127 Y128 K133 G135 D136 H176 H179 M182 S187 | S127-Q131 PolarHBondContact O-N 3.49Å; Y128-Q131 PolarHBondContact O-N 2.91Å; Q131-K133 VanDerWaalsContact C-N 3.32Å; Q131-K133 PolarHBondContact O-N 3.24Å; Q131-G135 VanDerWaalsContact O-CA 3.24Å; Q131-G135 WeakPolarHBondContact O-CA 3.35Å; Q131-G135 PolarHBondContact O-N 2.79Å; Q131-D136 PolarHBondContact NE2-OD1 3.05Å; Q131-H176 PolarHBondContact OE1-CD2 3Å; Q131-H176 VanDerWaalsContact OE1-CD2 3.31Å; Q131-H176 PolarHBondContact OE1-NE2 3.09Å; Q131-H179 HydrophobicContact CB-CB 4.04Å; Q131-H179 HydrophobicContact CG-CB 3.81Å; Q131-H179 PolarHBondContact NE2-O 3.45Å; Q131-M182 HydrophobicContact CG-CB 4.29Å; Q131-M182 PolarHBondContact NE2-O 3.41Å; Q131-S187 WeakPolarHBondContact CB-OG 3.4Å; Q131-S187 WeakPolarHBondContact CG-OG 3.37Å |
| 132 | A | 97.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F103 Y128 V130 R184 M188 | F103-A132 HydrophobicContact CE1-CB 4.33Å; F103-A132 HydrophobicContact CZ-CB 3.94Å; Y128-A132 WeakPolarHBondContact O-CB 3.41Å; Y128-A132 PolarHBondContact O-N 2.77Å; V130-A132 VanDerWaalsContact C-N 3.32Å; V130-A132 PolarHBondContact O-N 2.89Å; A132-R184 WeakPolarHBondContact O-CD 3.48Å; A132-R184 WeakPolarHBondContact O-CG 3.39Å; A132-M188 HydrophobicContact CB-CG 3.75Å |
| 133 | K | 96.6 | Very high | 96.6 | Very high | 103 Ų | 103 | 44.7 Ų | 44.7 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82 | -49.5 | 179.9 | -179.5 | 179.4 | 172.3 | -165 | 0 | 112.7 | A129 V130 Q131 D150 | A129-K133 WeakPolarHBondContact O-CB 3.4Å; A129-K133 PolarHBondContact O-N 3.37Å; V130-K133 PolarHBondContact O-N 3.46Å; V130-K133 VanDerWaalsContact O-N 3.11Å; Q131-K133 VanDerWaalsContact C-N 3.32Å; Q131-K133 PolarHBondContact O-N 3.24Å; K133-D150 IonicContact NZ-OD1 3.6Å; K133-D150 PolarHBondContact NZ-OD1 2.95Å; K133-D150 IonicContact NZ-OD2 2.97Å; K133-D150 PolarHBondContact NZ-OD2 2.93Å |
| 134 | Y | 96.4 | Very high | 96.2 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 26% | 0.255 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -96.3 | -34.6 | -171 | -67.8 | -81.6 | 0 | 0 | 0 | 112.5 | V130 Y146 L147 D150 R184 | V130-Y134 HydrophobicContact CG1-CD2 3.9Å; V130-Y134 PolarHBondContact O-N 2.72Å; Y134-Y146 PolarHBondContact OH-O 3.49Å; Y134-L147 HydrophobicContact CD2-CD2 4.49Å; Y134-L147 HydrophobicContact CE2-CD2 3.93Å; Y134-D150 PolarHBondContact OH-OD2 2.81Å; Y134-R184 PolarHBondContact O-NH2 3.17Å |
| 135 | G | 95.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | trans | 76.1 | 178.6 | -162.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q131 Y137 H176 | Q131-G135 VanDerWaalsContact O-CA 3.24Å; Q131-G135 WeakPolarHBondContact O-CA 3.35Å; Q131-G135 PolarHBondContact O-N 2.79Å; G135-Y137 PolarHBondContact O-N 3.49Å; G135-H176 PolarHBondContact O-NE2 3.13Å | ||
| 136 | D | 95.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -35.4 | 129.8 | -170.2 | -76 | 6.2 | 0 | 0 | 0 | 115.9 | Q131 N138 G181 | Q131-D136 PolarHBondContact NE2-OD1 3.05Å; D136-N138 PolarHBondContact O-N 2.66Å; D136-G181 PolarHBondContact OD1-N 2.95Å; D136-G181 PolarHBondContact OD2-N 3.24Å |
| 137 | Y | 96.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | trans | -59.2 | 119.3 | 174.2 | 179.9 | -110.1 | 0 | 0 | 0 | 112.6 | G135 K139 H142 Y146 Q173 E177 R180 | G135-Y137 PolarHBondContact O-N 3.49Å; Y137-K139 HydrophobicContact CE1-CB 4.33Å; Y137-H142 HydrophobicContact CD2-CB 3.7Å; Y137-H142 AromaticContact CD2-ND1 3.61Å; Y137-H142 HydrophobicContact CE2-CB 3.54Å; Y137-Y146 HydrophobicContact CE2-CE1 4.44Å; Y137-Q173 HydrophobicContact CD2-CG 4.03Å; Y137-Q173 HydrophobicContact CE1-CG 4.44Å; Y137-Q173 HydrophobicContact CE2-CG 3.51Å; Y137-Q173 VanDerWaalsContact OH-CD 3.29Å; Y137-Q173 PolarHBondContact OH-OE1 3.43Å; Y137-E177 HydrophobicContact CD1-CB 3.85Å; Y137-E177 VanDerWaalsContact CD1-CD 3.4Å; Y137-E177 HydrophobicContact CD1-CG 3.75Å; Y137-E177 HydrophobicContact CE1-CG 4.37Å; Y137-E177 WeakPolarHBondContact CE1-OE2 3.49Å; Y137-E177 HydrophobicContact CG-CB 4.36Å; Y137-R180 PolarHBondContact O-NH2 3.17Å | ||
| 138 | N | 93.6 | Very high | 95.3 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -120.3 | 116.7 | 165.2 | -179.8 | 1.1 | 0 | 0 | 0 | 110.1 | D136 E140 I141 H142 | D136-N138 PolarHBondContact O-N 2.66Å; N138-E140 PolarHBondContact ND2-OE2 3.44Å; N138-E140 PolarHBondContact O-N 3.01Å; N138-E140 VanDerWaalsContact O-N 3.16Å; N138-E140 PolarHBondContact OD1-N 2.91Å; N138-I141 HydrophobicContact CB-CD1 4.23Å; N138-I141 HydrophobicContact CB-CG1 4.36Å; N138-I141 PolarHBondContact O-N 3.38Å; N138-H142 PolarHBondContact N-ND1 2.84Å; N138-H142 WeakPolarHBondContact O-CB 3.35Å; N138-H142 PolarHBondContact O-N 2.81Å | ||
| 139 | K | 93.4 | Very high | 95 | Very high | 164 Ų | 164 | 64.3 Ų | 64.3 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.8 | 177.9 | -175 | 173.1 | -178.7 | 172.5 | 0 | 115 | Y137 | Y137-K139 HydrophobicContact CE1-CB 4.33Š|
| 140 | E | 93.3 | Very high | 94.7 | Very high | 151 Ų | 151 | 65.9 Ų | 65.9 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -31.9 | 178 | -60.3 | 176.4 | 144.5 | 0 | 0 | 112.5 | N138 K143 | N138-E140 PolarHBondContact ND2-OE2 3.44Å; N138-E140 PolarHBondContact O-N 3.01Å; N138-E140 VanDerWaalsContact O-N 3.16Å; N138-E140 PolarHBondContact OD1-N 2.91Å; E140-K143 WeakPolarHBondContact O-CE 3.32Å |
| 141 | I | 93.1 | Very high | 94.6 | Very high | 120 Ų | 120 | 72.5 Ų | 72.5 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -51.3 | -175.6 | -56.9 | 175.7 | 0 | 0 | 0 | 109.8 | N138 K143 | N138-I141 HydrophobicContact CB-CD1 4.23Å; N138-I141 HydrophobicContact CB-CG1 4.36Å; N138-I141 PolarHBondContact O-N 3.38Å; I141-K143 VanDerWaalsContact C-N 3.31Å; I141-K143 PolarHBondContact O-N 3.33Å |
| 142 | H | 95.8 | Very high | 94.2 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -85.9 | 68.7 | -175.9 | -58.8 | 151 | 0 | 0 | 0 | 111.2 | Y137 N138 Y146 | Y137-H142 HydrophobicContact CD2-CB 3.7Å; Y137-H142 AromaticContact CD2-ND1 3.61Å; Y137-H142 HydrophobicContact CE2-CB 3.54Å; N138-H142 PolarHBondContact N-ND1 2.84Å; N138-H142 WeakPolarHBondContact O-CB 3.35Å; N138-H142 PolarHBondContact O-N 2.81Å; H142-Y146 HydrophobicContact CB-CD1 3.98Å; H142-Y146 HydrophobicContact CB-CD2 3.87Å; H142-Y146 HydrophobicContact CB-CE1 4.05Å; H142-Y146 HydrophobicContact CB-CE2 3.92Å; H142-Y146 HydrophobicContact CB-CG 3.9Å; H142-Y146 AromaticContact CD2-CD2 3.9Å; H142-Y146 AromaticContact CG-CD2 3.92Å; H142-Y146 AromaticContact CG-CE2 3.9Å |
| 143 | K | 93.4 | Very high | 94.2 | Very high | 141 Ų | 141 | 73.4 Ų | 73.4 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | trans | -69.4 | 157.5 | 176.5 | -62.6 | 179.6 | -175.8 | 177.9 | 0 | 111.2 | E140 I141 G145 Y146 | E140-K143 WeakPolarHBondContact O-CE 3.32Å; I141-K143 VanDerWaalsContact C-N 3.31Å; I141-K143 PolarHBondContact O-N 3.33Å; K143-G145 PolarHBondContact O-N 3.46Å; K143-Y146 WeakPolarHBondContact O-CB 3.35Å; K143-Y146 WeakPolarHBondContact O-CD1 3.44Å; K143-Y146 PolarHBondContact O-N 2.9Å | ||
| 144 | P | 91.9 | Very high | 94.3 | Very high | 139 Ų | 139 | 68.5 Ų | 68.5 | 90% | 0.903 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 135 | 177.7 | -28.9 | 36.1 | 0 | 0 | 0 | 112.6 | ||
| 145 | G | 91.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 0.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K143 L147 A148 E169 | K143-G145 PolarHBondContact O-N 3.46Å; G145-L147 PolarHBondContact O-N 2.6Å; G145-L147 VanDerWaalsContact O-N 3.13Å; G145-A148 WeakPolarHBondContact O-CB 3.49Å; G145-A148 PolarHBondContact O-N 3.01Å; G145-E169 WeakPolarHBondContact CA-OE2 3.35Å |
| 146 | Y | 95.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 72 Ų | 72 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.8 | 177.5 | 79.8 | -75.1 | 0 | 0 | 0 | 114.3 | V130 Y134 Y137 H142 K143 Q173 H176 | V130-Y146 HydrophobicContact CG1-CE2 4.3Å; Y134-Y146 PolarHBondContact OH-O 3.49Å; Y137-Y146 HydrophobicContact CE2-CE1 4.44Å; H142-Y146 HydrophobicContact CB-CD1 3.98Å; H142-Y146 HydrophobicContact CB-CD2 3.87Å; H142-Y146 HydrophobicContact CB-CE1 4.05Å; H142-Y146 HydrophobicContact CB-CE2 3.92Å; H142-Y146 HydrophobicContact CB-CG 3.9Å; H142-Y146 AromaticContact CD2-CD2 3.9Å; H142-Y146 AromaticContact CG-CD2 3.92Å; H142-Y146 AromaticContact CG-CE2 3.9Å; K143-Y146 WeakPolarHBondContact O-CB 3.35Å; K143-Y146 WeakPolarHBondContact O-CD1 3.44Å; K143-Y146 PolarHBondContact O-N 2.9Å; Y146-Q173 HydrophobicContact CE1-CB 4.38Å; Y146-Q173 HydrophobicContact CE1-CG 4.07Å; Y146-H176 AromaticContact CZ-ND1 3.98Å; Y146-H176 PolarHBondContact OH-ND1 2.95Å |
| 147 | L | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -0.1 | 177 | -62.5 | -179.9 | 0 | 0 | 0 | 113.1 | V130 Y134 G145 N149 D150 L152 E169 I172 | V130-L147 HydrophobicContact CB-CD2 4.5Å; V130-L147 HydrophobicContact CG1-CD2 3.85Å; V130-L147 HydrophobicContact CG2-CD1 4.25Å; V130-L147 HydrophobicContact CG2-CD2 3.73Å; Y134-L147 HydrophobicContact CD2-CD2 4.49Å; Y134-L147 HydrophobicContact CE2-CD2 3.93Å; G145-L147 PolarHBondContact O-N 2.6Å; G145-L147 VanDerWaalsContact O-N 3.13Å; L147-N149 PolarHBondContact O-N 3.31Å; L147-D150 PolarHBondContact O-N 3.43Å; L147-L152 HydrophobicContact CB-CD1 4.03Å; L147-L152 HydrophobicContact CD1-CD1 3.89Å; L147-L152 HydrophobicContact CD2-CD1 4.22Å; L147-L152 HydrophobicContact CG-CD1 4.26Å; L147-E169 HydrophobicContact CB-CB 4.41Å; L147-E169 HydrophobicContact CB-CG 3.85Å; L147-I172 HydrophobicContact CD1-CB 4.36Å; L147-I172 HydrophobicContact CD1-CG2 4.16Å |
| 148 | A | 91.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 28% | 0.281 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G145 K165 E169 | G145-A148 WeakPolarHBondContact O-CB 3.49Å; G145-A148 PolarHBondContact O-N 3.01Å; A148-K165 PolarHBondContact O-NZ 3.12Å; A148-E169 VanDerWaalsContact CA-OE1 3.26Å; A148-E169 WeakPolarHBondContact CA-OE1 3.41Å; A148-E169 PolarHBondContact N-OE2 2.94Å |
| 149 | N | 91.8 | Very high | 94.5 | Very high | 163 Ų | 163 | 74.1 Ų | 74.1 | 87% | 0.872 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -0.3 | 175.7 | -65.5 | -49.1 | 0 | 0 | 0 | 113.6 | L147 | L147-N149 PolarHBondContact O-N 3.31Š|
| 150 | D | 93.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | trans | -96 | 129.1 | -178.7 | -80.2 | -82.7 | 0 | 0 | 0 | 112.9 | K133 Y134 L147 L152 | K133-D150 IonicContact NZ-OD1 3.6Å; K133-D150 PolarHBondContact NZ-OD1 2.95Å; K133-D150 IonicContact NZ-OD2 2.97Å; K133-D150 PolarHBondContact NZ-OD2 2.93Å; Y134-D150 PolarHBondContact OH-OD2 2.81Å; L147-D150 PolarHBondContact O-N 3.43Å; D150-L152 HydrophobicContact CB-CD1 4.13Å; D150-L152 HydrophobicContact CB-CD2 3.73Å; D150-L152 HydrophobicContact CB-CG 3.66Å; D150-L152 PolarHBondContact O-N 3.46Å | ||
| 151 | R | 94.6 | Very high | 94.8 | Very high | 140 Ų | 140 | 59.6 Ų | 59.6 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | trans | -81.4 | 93.7 | 166.8 | -175.5 | 177.5 | 173.3 | -154.7 | -1.1 | 108.6 | L111 N112 | L111-R151 VanDerWaalsContact C-NH2 3.29Å; L111-R151 HydrophobicContact CD1-CG 4.49Å; L111-R151 WeakPolarHBondContact CD1-O 3.27Å; L111-R151 HydrophobicContact CD2-CG 4.42Å; L111-R151 WeakPolarHBondContact CD2-O 3.33Å; L111-R151 PolarHBondContact O-NH2 2.84Å; N112-R151 VanDerWaalsContact OD1-CZ 3.26Å; N112-R151 PolarHBondContact OD1-NH1 3.31Å; N112-R151 PolarHBondContact OD1-NH2 3.4Å | ||
| 152 | L | 90.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | trans | -99.1 | -24.7 | -172.1 | -65.5 | 176.2 | 0 | 0 | 0 | 114.9 | L111 A126 V130 L147 D150 I172 | L111-L152 WeakPolarHBondContact CD2-O 3.5Å; A126-L152 HydrophobicContact CB-CB 4.14Å; A126-L152 WeakPolarHBondContact CB-O 3.45Å; V130-L152 HydrophobicContact CG2-CD1 3.94Å; V130-L152 HydrophobicContact CG2-CD2 3.7Å; L147-L152 HydrophobicContact CB-CD1 4.03Å; L147-L152 HydrophobicContact CD1-CD1 3.89Å; L147-L152 HydrophobicContact CD2-CD1 4.22Å; L147-L152 HydrophobicContact CG-CD1 4.26Å; D150-L152 HydrophobicContact CB-CD1 4.13Å; D150-L152 HydrophobicContact CB-CD2 3.73Å; D150-L152 HydrophobicContact CB-CG 3.66Å; D150-L152 PolarHBondContact O-N 3.46Å; L152-I172 HydrophobicContact CB-CD1 3.97Å; L152-I172 HydrophobicContact CD1-CD1 3.9Å; L152-I172 HydrophobicContact CD1-CG2 4.22Å | ||
| 153 | L | 97.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -127.4 | 152.3 | -176.8 | -67.2 | 173.6 | 0 | 0 | 0 | 111.9 | A122 V123 A126 V157 L158 W168 I172 | A122-L153 HydrophobicContact CB-CD2 3.95Å; A122-L153 WeakPolarHBondContact O-CD2 3.24Å; V123-L153 HydrophobicContact CG2-CD1 4.34Å; V123-L153 HydrophobicContact CG2-CD2 3.95Å; A126-L153 HydrophobicContact CB-CD2 4.12Å; L153-V157 HydrophobicContact CD1-CG1 4.29Å; L153-V157 HydrophobicContact CD2-CG1 4.32Å; L153-L158 HydrophobicContact CB-CD2 3.92Å; L153-L158 HydrophobicContact CB-CG 4.02Å; L153-L158 HydrophobicContact CD1-CD2 3.76Å; L153-L158 HydrophobicContact CG-CD2 4.44Å; L153-W168 HydrophobicContact CD1-CD2 3.66Å; L153-W168 HydrophobicContact CD1-CE3 3.46Å; L153-W168 VanDerWaalsContact CD1-CE3 3.46Å; L153-W168 HydrophobicContact CD1-CG 4.21Å; L153-W168 HydrophobicContact CD1-CH2 4.2Å; L153-W168 HydrophobicContact CD1-CZ2 4.36Å; L153-W168 HydrophobicContact CD1-CZ3 3.77Å; L153-I172 HydrophobicContact CD1-CD1 4.19Å; L153-I172 HydrophobicContact CG-CD1 4.26Å |
| 154 | P | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | trans | -64.6 | 149.1 | 169.4 | -13.2 | 26.7 | 0 | 0 | 0 | 111.3 | I110 D113 A122 R156 V157 L158 | I110-P154 HydrophobicContact CG2-CG 4.27Å; I110-P154 WeakPolarHBondContact O-CG 3.5Å; D113-P154 WeakPolarHBondContact OD2-CB 3.3Å; A122-P154 HydrophobicContact CB-CG 4.46Å; P154-R156 VanDerWaalsContact C-N 3.3Å; P154-R156 PolarHBondContact O-N 3.22Å; P154-V157 HydrophobicContact CB-CG2 4.27Å; P154-V157 HydrophobicContact CG-CG2 4.02Å; P154-V157 WeakPolarHBondContact O-CB 3.44Å; P154-V157 PolarHBondContact O-N 2.66Å; P154-L158 PolarHBondContact O-N 3.43Å | ||
| 155 | Q | 96.6 | Very high | 94.9 | Very high | 126 Ų | 126 | 55.7 Ų | 55.7 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | -175.8 | -178.5 | 171.1 | -15.1 | 0 | 0 | 111.9 | V157 L158 E159 | Q155-V157 PolarHBondContact O-N 2.8Å; Q155-L158 PolarHBondContact O-N 2.86Å; Q155-E159 HydrophobicContact CG-CG 4.24Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.5Å; Q155-E159 PolarHBondContact NE2-OE1 3.4Å; Q155-E159 WeakPolarHBondContact O-CG 3.16Å; Q155-E159 PolarHBondContact O-N 3.18Å |
| 156 | R | 97.3 | Very high | 95 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.3 | -35.9 | 173 | 172.3 | -176 | 53.5 | 79.3 | 13.5 | 113.4 | D113 C117 P154 Q160 T545 D548 | D113-R156 IonicContact OD1-CZ 3.46Å; D113-R156 VanDerWaalsContact OD1-CZ 3.22Å; D113-R156 IonicContact OD1-NE 3.03Å; D113-R156 PolarHBondContact OD1-NE 3.47Å; D113-R156 IonicContact OD1-NH2 3.7Å; D113-R156 PolarHBondContact OD1-NH2 3.34Å; C117-R156 PolarHBondContact O-NH1 2.83Å; C117-R156 PolarHBondContact O-NH2 2.93Å; P154-R156 VanDerWaalsContact C-N 3.3Å; P154-R156 PolarHBondContact O-N 3.22Å; R156-Q160 WeakPolarHBondContact O-CB 3.23Å; R156-Q160 WeakPolarHBondContact O-CG 3.45Å; R156-Q160 PolarHBondContact O-N 3.25Å; R156-Q160 PolarHBondContact O-NE2 3.25Å; R156-T545 WeakPolarHBondContact CD-OG1 3.25Å; R156-T545 HydrophobicContact CG-CG2 3.82Å; R156-D548 IonicContact CZ-OD1 2.77Å; R156-D548 IonicContact NH1-OD1 3.26Å; R156-D548 PolarHBondContact NH1-OD1 2.86Å |
| 157 | V | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.4 | -42.3 | -179.3 | 174 | 0 | 0 | 0 | 0 | 110.6 | P119 A122 L153 P154 Q155 H161 W168 | P119-V157 HydrophobicContact CB-CG1 3.81Å; P119-V157 HydrophobicContact CB-CG2 4.19Å; A122-V157 HydrophobicContact CB-CG2 4.08Å; L153-V157 HydrophobicContact CD1-CG1 4.29Å; L153-V157 HydrophobicContact CD2-CG1 4.32Å; P154-V157 HydrophobicContact CB-CG2 4.27Å; P154-V157 HydrophobicContact CG-CG2 4.02Å; P154-V157 WeakPolarHBondContact O-CB 3.44Å; P154-V157 PolarHBondContact O-N 2.66Å; Q155-V157 PolarHBondContact O-N 2.8Å; V157-H161 PolarHBondContact O-ND1 2.83Å; V157-W168 HydrophobicContact CG1-CH2 3.94Å; V157-W168 HydrophobicContact CG1-CZ2 4.31Å |
| 158 | L | 96.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.2 | -63.6 | 174 | 0 | 0 | 0 | 111.4 | L153 P154 Q155 W168 | L153-L158 HydrophobicContact CB-CD2 3.92Å; L153-L158 HydrophobicContact CB-CG 4.02Å; L153-L158 HydrophobicContact CD1-CD2 3.76Å; L153-L158 HydrophobicContact CG-CD2 4.44Å; P154-L158 PolarHBondContact O-N 3.43Å; Q155-L158 PolarHBondContact O-N 2.86Å; L158-W168 HydrophobicContact CD2-CD2 4.23Å; L158-W168 HydrophobicContact CD2-CG 4Å |
| 159 | E | 94.9 | Very high | 95.3 | Very high | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | -175.8 | -72.7 | 179 | -179.8 | 0 | 0 | 113.4 | Q155 H161 K543 | Q155-E159 HydrophobicContact CG-CG 4.24Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.5Å; Q155-E159 PolarHBondContact NE2-OE1 3.4Å; Q155-E159 WeakPolarHBondContact O-CG 3.16Å; Q155-E159 PolarHBondContact O-N 3.18Å; E159-H161 PolarHBondContact O-N 2.9Å; E159-K543 WeakPolarHBondContact O-CD 3.43Å; E159-K543 WeakPolarHBondContact O-CE 3.38Å; E159-K543 PolarHBondContact O-NZ 3.34Å |
| 160 | Q | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.5 | -177.4 | 85.7 | 177.1 | -87.2 | 0 | 0 | 115 | R156 R539 D540 K543 D548 | R156-Q160 WeakPolarHBondContact O-CB 3.23Å; R156-Q160 WeakPolarHBondContact O-CG 3.45Å; R156-Q160 PolarHBondContact O-N 3.25Å; R156-Q160 PolarHBondContact O-NE2 3.25Å; Q160-R539 VanDerWaalsContact OE1-NE 3.09Å; Q160-D540 PolarHBondContact O-N 2.93Å; Q160-K543 HydrophobicContact CB-CB 4.07Å; Q160-D548 PolarHBondContact NE2-OD1 3.15Å; Q160-D548 VanDerWaalsContact NE2-OD1 3.16Å |
| 161 | H | 96.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -128.1 | 148.7 | 174.1 | -56.5 | 85.2 | 0 | 0 | 0 | 111.9 | V157 E159 L163 W168 A538 | V157-H161 PolarHBondContact O-ND1 2.83Å; E159-H161 PolarHBondContact O-N 2.9Å; H161-L163 HydrophobicContact CB-CD1 4.24Å; H161-L163 HydrophobicContact CB-CG 4.15Å; H161-L163 PolarHBondContact O-N 2.73Å; H161-L163 VanDerWaalsContact O-N 3.1Å; H161-W168 HydrophobicContact CB-CH2 4.29Å; H161-W168 HydrophobicContact CB-CZ2 3.77Å; H161-W168 AromaticContact CG-CH2 3.96Å; H161-W168 AromaticContact CG-CZ2 3.87Å; H161-W168 AromaticContact ND1-CH2 3.68Å; H161-W168 AromaticContact ND1-CZ2 3.67Å; H161-A538 CarbonylContact C-O 3.52Å; H161-A538 WeakPolarHBondContact CA-O 3.48Å; H161-A538 HydrophobicContact CB-CB 4.48Å |
| 162 | K | 94.8 | Very high | 95.7 | Very high | 140 Ų | 140 | 52.4 Ų | 52.4 | 61% | 0.609 | 25% | 0.246 | S | C | * | . | trans | -88.4 | 54.3 | 179.7 | -63.9 | 173.7 | -176.8 | 168.4 | 0 | 110.5 | A538 D540 | K162-A538 PolarHBondContact N-O 3.06Å; K162-D540 VanDerWaalsContact CE-CG 3.41Å; K162-D540 WeakPolarHBondContact CE-OD2 3.43Å; K162-D540 IonicContact NZ-OD1 2.62Å; K162-D540 IonicContact NZ-OD2 3.84Å; K162-D540 PolarHBondContact NZ-OD2 3.38Å | ||
| 163 | L | 95.1 | Very high | 96 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | trans | -119.9 | 138.4 | -177.3 | -63.3 | 179.4 | 0 | 0 | 0 | 110.6 | H161 Q167 W168 L535 A538 | H161-L163 HydrophobicContact CB-CD1 4.24Å; H161-L163 HydrophobicContact CB-CG 4.15Å; H161-L163 PolarHBondContact O-N 2.73Å; H161-L163 VanDerWaalsContact O-N 3.1Å; L163-Q167 HydrophobicContact CB-CB 4.33Å; L163-Q167 HydrophobicContact CD2-CB 4.37Å; L163-W168 HydrophobicContact CB-CD2 4.4Å; L163-W168 HydrophobicContact CB-CG 4.48Å; L163-W168 HydrophobicContact CD1-CD2 4.02Å; L163-W168 HydrophobicContact CD1-CE3 4.08Å; L163-W168 HydrophobicContact CD1-CH2 3.99Å; L163-W168 HydrophobicContact CD1-CZ2 3.91Å; L163-W168 HydrophobicContact CD1-CZ3 4.05Å; L163-L535 HydrophobicContact CD1-CD2 4.33Å; L163-A538 HydrophobicContact CD1-CB 4.16Å; L163-A538 HydrophobicContact CD2-CB 3.62Å; L163-A538 HydrophobicContact CG-CB 3.75Å | ||
| 164 | T | 94.8 | Very high | 96 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | trans | -74 | 168.9 | 169.8 | 81.7 | 0 | 0 | 0 | 0 | 110.9 | E166 Q167 W168 | T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 WeakPolarHBondContact CB-OE2 3.09Å; T164-E166 PolarHBondContact O-N 3.29Å; T164-E166 PolarHBondContact OG1-N 3.3Å; T164-E166 PolarHBondContact OG1-OE2 3.4Å; T164-Q167 PolarHBondContact O-N 3.43Å; T164-Q167 PolarHBondContact OG1-N 2.98Å; T164-W168 VanDerWaalsContact O-CD1 3.23Å; T164-W168 PolarHBondContact O-N 2.72Å; T164-W168 VanDerWaalsContact O-N 3.14Å | ||
| 165 | K | 93.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 45% | 0.452 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.8 | -174.8 | -172.7 | 176.6 | -169.4 | 0 | 111.4 | A148 Q167 W168 E169 | A148-K165 PolarHBondContact O-NZ 3.12Å; K165-Q167 VanDerWaalsContact C-N 3.31Å; K165-Q167 PolarHBondContact O-N 3.17Å; K165-W168 WeakPolarHBondContact O-CA 3.46Å; K165-W168 WeakPolarHBondContact O-CB 3.37Å; K165-W168 PolarHBondContact O-N 3.19Å; K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.43Å; K165-E169 IonicContact NZ-OE1 2.73Å; K165-E169 WeakPolarHBondContact O-CG 3.26Å; K165-E169 PolarHBondContact O-N 2.89Å |
| 166 | E | 94.1 | Very high | 96 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.3 | -39.9 | 179.6 | -54.5 | 68.3 | -146.3 | 0 | 0 | 110.5 | T164 W168 E169 E170 | T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 WeakPolarHBondContact CB-OE2 3.09Å; T164-E166 PolarHBondContact O-N 3.29Å; T164-E166 PolarHBondContact OG1-N 3.3Å; T164-E166 PolarHBondContact OG1-OE2 3.4Å; E166-W168 VanDerWaalsContact C-N 3.29Å; E166-W168 PolarHBondContact O-N 3.49Å; E166-E169 PolarHBondContact O-N 2.93Å; E166-E170 WeakPolarHBondContact O-CB 3.26Å; E166-E170 PolarHBondContact O-N 2.84Å |
| 167 | Q | 95.4 | Very high | 96 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.9 | -20.9 | 174.4 | -70 | 178.8 | -34.6 | 0 | 0 | 114 | L163 T164 K165 R171 | L163-Q167 HydrophobicContact CB-CB 4.33Å; L163-Q167 HydrophobicContact CD2-CB 4.37Å; T164-Q167 PolarHBondContact O-N 3.43Å; T164-Q167 PolarHBondContact OG1-N 2.98Å; K165-Q167 VanDerWaalsContact C-N 3.31Å; K165-Q167 PolarHBondContact O-N 3.17Å; Q167-R171 WeakPolarHBondContact O-CG 3.42Å; Q167-R171 PolarHBondContact O-NH1 3.46Å |
| 168 | W | 96.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.7 | -43.5 | 168 | -77.3 | 118.7 | 0 | 0 | 0 | 111.5 | V123 L153 V157 L158 H161 L163 T164 K165 E166 E170 R171 I172 L535 | V123-W168 HydrophobicContact CG2-CE3 4.25Å; V123-W168 HydrophobicContact CG2-CH2 4.42Å; V123-W168 HydrophobicContact CG2-CZ3 3.57Å; L153-W168 HydrophobicContact CD1-CD2 3.66Å; L153-W168 HydrophobicContact CD1-CE3 3.46Å; L153-W168 VanDerWaalsContact CD1-CE3 3.46Å; L153-W168 HydrophobicContact CD1-CG 4.21Å; L153-W168 HydrophobicContact CD1-CH2 4.2Å; L153-W168 HydrophobicContact CD1-CZ2 4.36Å; L153-W168 HydrophobicContact CD1-CZ3 3.77Å; V157-W168 HydrophobicContact CG1-CH2 3.94Å; V157-W168 HydrophobicContact CG1-CZ2 4.31Å; L158-W168 HydrophobicContact CD2-CD2 4.23Å; L158-W168 HydrophobicContact CD2-CG 4Å; H161-W168 HydrophobicContact CB-CH2 4.29Å; H161-W168 HydrophobicContact CB-CZ2 3.77Å; H161-W168 AromaticContact CG-CH2 3.96Å; H161-W168 AromaticContact CG-CZ2 3.87Å; H161-W168 AromaticContact ND1-CH2 3.68Å; H161-W168 AromaticContact ND1-CZ2 3.67Å; L163-W168 HydrophobicContact CB-CD2 4.4Å; L163-W168 HydrophobicContact CB-CG 4.48Å; L163-W168 HydrophobicContact CD1-CD2 4.02Å; L163-W168 HydrophobicContact CD1-CE3 4.08Å; L163-W168 HydrophobicContact CD1-CH2 3.99Å; L163-W168 HydrophobicContact CD1-CZ2 3.91Å; L163-W168 HydrophobicContact CD1-CZ3 4.05Å; T164-W168 VanDerWaalsContact O-CD1 3.23Å; T164-W168 PolarHBondContact O-N 2.72Å; T164-W168 VanDerWaalsContact O-N 3.14Å; K165-W168 WeakPolarHBondContact O-CA 3.46Å; K165-W168 WeakPolarHBondContact O-CB 3.37Å; K165-W168 PolarHBondContact O-N 3.19Å; E166-W168 VanDerWaalsContact C-N 3.29Å; E166-W168 PolarHBondContact O-N 3.49Å; W168-E170 VanDerWaalsContact C-N 3.33Å; W168-E170 PolarHBondContact O-N 3.16Å; W168-R171 PolarHBondContact O-N 2.92Å; W168-I172 VanDerWaalsContact O-CG1 3.3Å; W168-I172 WeakPolarHBondContact O-CG1 3.38Å; W168-I172 PolarHBondContact O-N 3.43Å; W168-L535 HydrophobicContact CH2-CD2 3.82Å; W168-L535 HydrophobicContact CZ3-CD2 3.59Å |
| 169 | E | 96.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.7 | -69.1 | -174.8 | -140.2 | 0 | 0 | 111.7 | G145 L147 A148 K165 E166 I172 Q173 | G145-E169 WeakPolarHBondContact CA-OE2 3.35Å; L147-E169 HydrophobicContact CB-CB 4.41Å; L147-E169 HydrophobicContact CB-CG 3.85Å; A148-E169 VanDerWaalsContact CA-OE1 3.26Å; A148-E169 WeakPolarHBondContact CA-OE1 3.41Å; A148-E169 PolarHBondContact N-OE2 2.94Å; K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.43Å; K165-E169 IonicContact NZ-OE1 2.73Å; K165-E169 WeakPolarHBondContact O-CG 3.26Å; K165-E169 PolarHBondContact O-N 2.89Å; E166-E169 PolarHBondContact O-N 2.93Å; E169-I172 PolarHBondContact O-N 3.38Å; E169-Q173 WeakPolarHBondContact O-CB 3.22Å; E169-Q173 PolarHBondContact O-N 2.81Å |
| 170 | E | 94.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 58.6 Ų | 58.6 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 173.8 | -178.8 | -178.5 | -153.8 | 0 | 0 | 112.1 | E166 W168 I172 Q173 N174 | E166-E170 WeakPolarHBondContact O-CB 3.26Å; E166-E170 PolarHBondContact O-N 2.84Å; W168-E170 VanDerWaalsContact C-N 3.33Å; W168-E170 PolarHBondContact O-N 3.16Å; E170-I172 PolarHBondContact O-N 3.43Å; E170-Q173 WeakPolarHBondContact O-CB 3.39Å; E170-Q173 PolarHBondContact O-N 3.39Å; E170-N174 VanDerWaalsContact O-CG 3.28Å; E170-N174 PolarHBondContact O-N 2.7Å; E170-N174 PolarHBondContact O-OD1 2.9Å |
| 171 | R | 95.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 60 Ų | 60 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.1 | -78.3 | 173.9 | 176.8 | 71.3 | 1 | 111.8 | Q167 W168 Q173 N174 W175 | Q167-R171 WeakPolarHBondContact O-CG 3.42Å; Q167-R171 PolarHBondContact O-NH1 3.46Å; W168-R171 PolarHBondContact O-N 2.92Å; R171-Q173 VanDerWaalsContact C-N 3.3Å; R171-Q173 PolarHBondContact O-N 2.92Å; R171-N174 PolarHBondContact O-N 2.74Å; R171-W175 VanDerWaalsContact O-CD1 3.22Å; R171-W175 PolarHBondContact O-N 2.86Å |
| 172 | I | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -32 | -180 | -61.8 | 162.8 | 0 | 0 | 0 | 110.8 | V123 A126 V130 L147 L152 L153 W168 E169 E170 H176 | V123-I172 HydrophobicContact CG1-CG1 4.13Å; A126-I172 HydrophobicContact CB-CD1 3.97Å; A126-I172 HydrophobicContact CB-CG1 4.14Å; A126-I172 HydrophobicContact CB-CG2 4.17Å; V130-I172 HydrophobicContact CG2-CG2 3.91Å; L147-I172 HydrophobicContact CD1-CB 4.36Å; L147-I172 HydrophobicContact CD1-CG2 4.16Å; L152-I172 HydrophobicContact CB-CD1 3.97Å; L152-I172 HydrophobicContact CD1-CD1 3.9Å; L152-I172 HydrophobicContact CD1-CG2 4.22Å; L153-I172 HydrophobicContact CD1-CD1 4.19Å; L153-I172 HydrophobicContact CG-CD1 4.26Å; W168-I172 VanDerWaalsContact O-CG1 3.3Å; W168-I172 WeakPolarHBondContact O-CG1 3.38Å; W168-I172 PolarHBondContact O-N 3.43Å; E169-I172 PolarHBondContact O-N 3.38Å; E170-I172 PolarHBondContact O-N 3.43Å; I172-H176 VanDerWaalsContact O-CB 3.24Å; I172-H176 WeakPolarHBondContact O-CB 3.26Å; I172-H176 PolarHBondContact O-N 2.86Å |
| 173 | Q | 97.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 172.6 | -173.5 | -93.6 | -93.4 | 0 | 0 | 112.1 | Y137 Y146 E169 E170 R171 W175 H176 E177 | Y137-Q173 HydrophobicContact CD2-CG 4.03Å; Y137-Q173 HydrophobicContact CE1-CG 4.44Å; Y137-Q173 HydrophobicContact CE2-CG 3.51Å; Y137-Q173 VanDerWaalsContact OH-CD 3.29Å; Y137-Q173 PolarHBondContact OH-OE1 3.43Å; Y146-Q173 HydrophobicContact CE1-CB 4.38Å; Y146-Q173 HydrophobicContact CE1-CG 4.07Å; E169-Q173 WeakPolarHBondContact O-CB 3.22Å; E169-Q173 PolarHBondContact O-N 2.81Å; E170-Q173 WeakPolarHBondContact O-CB 3.39Å; E170-Q173 PolarHBondContact O-N 3.39Å; R171-Q173 VanDerWaalsContact C-N 3.3Å; R171-Q173 PolarHBondContact O-N 2.92Å; Q173-W175 VanDerWaalsContact C-N 3.3Å; Q173-W175 PolarHBondContact O-N 2.69Å; Q173-H176 WeakPolarHBondContact O-CB 3.47Å; Q173-H176 PolarHBondContact O-N 3.16Å; Q173-H176 VanDerWaalsContact O-N 3.1Å; Q173-E177 PolarHBondContact NE2-OE2 2.93Å; Q173-E177 VanDerWaalsContact NE2-OE2 3.11Å; Q173-E177 PolarHBondContact O-N 3.05Å |
| 174 | N | 96.3 | Very high | 95.2 | Very high | 82 Ų | 82 | 61 Ų | 61 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 178.6 | -64.9 | -17.7 | 0 | 0 | 0 | 110.6 | E170 R171 H176 E177 | E170-N174 VanDerWaalsContact O-CG 3.28Å; E170-N174 PolarHBondContact O-N 2.7Å; E170-N174 PolarHBondContact O-OD1 2.9Å; R171-N174 PolarHBondContact O-N 2.74Å; N174-H176 VanDerWaalsContact C-N 3.34Å; N174-H176 PolarHBondContact O-N 3.4Å; N174-E177 PolarHBondContact O-N 3.01Å |
| 175 | W | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.1 | -21.4 | 176 | -70.9 | 109.3 | 0 | 0 | 0 | 114.1 | R171 Q173 E178 H179 Q527 A530 L531 E534 | R171-W175 VanDerWaalsContact O-CD1 3.22Å; R171-W175 PolarHBondContact O-N 2.86Å; Q173-W175 VanDerWaalsContact C-N 3.3Å; Q173-W175 PolarHBondContact O-N 2.69Å; W175-E178 HydrophobicContact CE3-CG 4.18Å; W175-E178 HydrophobicContact CZ3-CG 4.26Å; W175-H179 PolarHBondContact O-CD2 3.48Å; W175-H179 PolarHBondContact O-NE2 2.84Å; W175-Q527 HydrophobicContact CE3-CG 4.4Å; W175-Q527 HydrophobicContact CH2-CB 4.2Å; W175-Q527 HydrophobicContact CH2-CG 4.26Å; W175-Q527 HydrophobicContact CZ3-CB 3.92Å; W175-Q527 HydrophobicContact CZ3-CG 3.66Å; W175-A530 HydrophobicContact CH2-CB 3.86Å; W175-A530 HydrophobicContact CZ2-CB 3.81Å; W175-L531 HydrophobicContact CD2-CD1 4.31Å; W175-L531 HydrophobicContact CD2-CG 4.42Å; W175-L531 HydrophobicContact CG-CD1 4.49Å; W175-L531 HydrophobicContact CZ2-CD1 4.48Å; W175-L531 HydrophobicContact CZ2-CG 3.93Å; W175-E534 WeakPolarHBondContact CZ2-OE1 3.47Å; W175-E534 PolarHBondContact NE1-OE2 3.39Å; W175-E534 VanDerWaalsContact NE1-OE2 3.16Å |
| 176 | H | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.7 | -37.6 | 170.8 | 171.1 | -151.4 | 0 | 0 | 0 | 111.8 | V130 Q131 G135 Y146 I172 Q173 N174 E178 H179 | V130-H176 HydrophobicContact CG1-CB 4.18Å; V130-H176 VanDerWaalsContact CG1-ND1 3.3Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.4Å; Q131-H176 PolarHBondContact OE1-CD2 3Å; Q131-H176 VanDerWaalsContact OE1-CD2 3.31Å; Q131-H176 PolarHBondContact OE1-NE2 3.09Å; G135-H176 PolarHBondContact O-NE2 3.13Å; Y146-H176 AromaticContact CZ-ND1 3.98Å; Y146-H176 PolarHBondContact OH-ND1 2.95Å; I172-H176 VanDerWaalsContact O-CB 3.24Å; I172-H176 WeakPolarHBondContact O-CB 3.26Å; I172-H176 PolarHBondContact O-N 2.86Å; Q173-H176 WeakPolarHBondContact O-CB 3.47Å; Q173-H176 PolarHBondContact O-N 3.16Å; Q173-H176 VanDerWaalsContact O-N 3.1Å; N174-H176 VanDerWaalsContact C-N 3.34Å; N174-H176 PolarHBondContact O-N 3.4Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 2.96Å; H176-H179 PolarHBondContact O-N 3.48Å |
| 177 | E | 96.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -33.8 | 178.5 | -173 | 155.7 | -154.3 | 0 | 0 | 112.4 | Y137 Q173 N174 H179 R180 | Y137-E177 HydrophobicContact CD1-CB 3.85Å; Y137-E177 VanDerWaalsContact CD1-CD 3.4Å; Y137-E177 HydrophobicContact CD1-CG 3.75Å; Y137-E177 HydrophobicContact CE1-CG 4.37Å; Y137-E177 WeakPolarHBondContact CE1-OE2 3.49Å; Y137-E177 HydrophobicContact CG-CB 4.36Å; Q173-E177 PolarHBondContact NE2-OE2 2.93Å; Q173-E177 VanDerWaalsContact NE2-OE2 3.11Å; Q173-E177 PolarHBondContact O-N 3.05Å; N174-E177 PolarHBondContact O-N 3.01Å; E177-H179 PolarHBondContact O-N 2.99Å; E177-R180 WeakPolarHBondContact O-CB 3.45Å; E177-R180 PolarHBondContact O-N 3.5Å |
| 178 | E | 96.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.3 | 170 | -85.7 | -72 | 129 | 0 | 0 | 114.4 | W175 H176 R523 | W175-E178 HydrophobicContact CE3-CG 4.18Å; W175-E178 HydrophobicContact CZ3-CG 4.26Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 2.96Å; E178-R523 PolarHBondContact O-NH2 3.25Å; E178-R523 IonicContact OE2-CZ 3.92Å; E178-R523 IonicContact OE2-NE 2.84Å; E178-R523 IonicContact OE2-NH2 2.72Å; E178-R523 PolarHBondContact OE2-NH2 3.31Å |
| 179 | H | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4.2 | 180 | -58.2 | -44.6 | 0 | 0 | 0 | 113.7 | S127 Y128 Q131 W175 H176 E177 G181 M182 | S127-H179 PolarHBondContact OG-NE2 2.81Å; Y128-H179 AromaticContact CD1-CE1 3.85Å; Y128-H179 AromaticContact CD1-NE2 3.88Å; Y128-H179 AromaticContact CE1-CE1 3.38Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.29Å; Y128-H179 AromaticContact CE1-ND1 3.62Å; Y128-H179 AromaticContact CE1-NE2 3.9Å; Y128-H179 AromaticContact CE2-CE1 3.76Å; Y128-H179 AromaticContact CG-NE2 3.95Å; Y128-H179 AromaticContact CZ-CE1 3.33Å; Y128-H179 AromaticContact CZ-ND1 3.94Å; Y128-H179 AromaticContact CZ-NE2 3.98Å; Q131-H179 HydrophobicContact CB-CB 4.04Å; Q131-H179 HydrophobicContact CG-CB 3.81Å; Q131-H179 PolarHBondContact NE2-O 3.45Å; W175-H179 PolarHBondContact O-CD2 3.48Å; W175-H179 PolarHBondContact O-NE2 2.84Å; H176-H179 PolarHBondContact O-N 3.48Å; E177-H179 PolarHBondContact O-N 2.99Å; H179-G181 PolarHBondContact O-N 2.61Å; H179-M182 WeakPolarHBondContact O-CB 3.38Å; H179-M182 PolarHBondContact O-N 3.22Å |
| 180 | R | 94.1 | Very high | 95.6 | Very high | 153 Ų | 153 | 49.1 Ų | 49.1 | 58% | 0.577 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 128.4 | 176.7 | 171.7 | 174.7 | -80.5 | -150.4 | -2.8 | 111.6 | Y137 E177 | Y137-R180 PolarHBondContact O-NH2 3.17Å; E177-R180 WeakPolarHBondContact O-CB 3.45Å; E177-R180 PolarHBondContact O-N 3.5Å |
| 181 | G | 90.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 44 Ų | 44 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -9.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | D136 H179 R320 | D136-G181 PolarHBondContact OD1-N 2.95Å; D136-G181 PolarHBondContact OD2-N 3.24Å; H179-G181 PolarHBondContact O-N 2.61Å; G181-R320 VanDerWaalsContact O-CZ 3.31Å; G181-R320 PolarHBondContact O-NH1 2.98Å; G181-R320 PolarHBondContact O-NH2 3.07Å |
| 182 | M | 93.4 | Very high | 96 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 20% | 0.197 | 20% | 0.195 | C | C | . | . | trans | -76.8 | 131.6 | 178.5 | -171.3 | 172.7 | -70.4 | 0 | 0 | 111.6 | Y128 Q131 H179 D186 E190 | Y128-M182 HydrophobicContact CD1-SD 4.01Å; Y128-M182 HydrophobicContact CE1-CE 3.95Å; Y128-M182 HydrophobicContact CE1-SD 3.75Å; Q131-M182 HydrophobicContact CG-CB 4.29Å; Q131-M182 PolarHBondContact NE2-O 3.41Å; H179-M182 WeakPolarHBondContact O-CB 3.38Å; H179-M182 PolarHBondContact O-N 3.22Å; M182-D186 HydrophobicContact CG-CB 4.01Å; M182-E190 HydrophobicContact CE-CG 4.28Å; M182-E190 HydrophobicContact SD-CG 4.28Å | ||
| 183 | L | 91.8 | Very high | 96 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -65.1 | 154.3 | 172.5 | -67.1 | 174.7 | 0 | 0 | 0 | 110.8 | E185 D186 S187 | L183-E185 PolarHBondContact O-N 2.92Å; L183-D186 HydrophobicContact CB-CB 4.23Å; L183-D186 PolarHBondContact O-N 3Å; L183-S187 WeakPolarHBondContact O-CB 3.22Å; L183-S187 PolarHBondContact O-N 2.86Å | ||
| 184 | R | 94 | Very high | 96 | Very high | 118 Ų | 118 | 42 Ų | 42 | 45% | 0.445 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -35.8 | -178.9 | -70 | -180 | 173.2 | 173.7 | -1.8 | 111.1 | A132 Y134 S187 M188 | A132-R184 WeakPolarHBondContact O-CD 3.48Å; A132-R184 WeakPolarHBondContact O-CG 3.39Å; Y134-R184 PolarHBondContact O-NH2 3.17Å; R184-S187 WeakPolarHBondContact O-CB 3.42Å; R184-S187 PolarHBondContact O-N 3.47Å; R184-M188 WeakPolarHBondContact O-CG 3.35Å; R184-M188 PolarHBondContact O-N 3.25Å |
| 185 | E | 92.9 | Very high | 96.1 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -47.5 | 179 | -57.6 | 67.7 | -145.4 | 0 | 0 | 110.5 | E96 L183 S187 M188 M189 | E96-E185 HydrophobicContact CG-CG 4.17Å; L183-E185 PolarHBondContact O-N 2.92Å; E185-S187 VanDerWaalsContact C-N 3.29Å; E185-S187 PolarHBondContact O-N 3.42Å; E185-M188 HydrophobicContact CG-CE 4.48Å; E185-M188 PolarHBondContact O-N 3.02Å; E185-M189 PolarHBondContact O-N 2.76Å |
| 186 | D | 94.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 171.8 | -71.9 | -41.5 | 0 | 0 | 0 | 111.3 | M182 L183 M189 E190 K313 | M182-D186 HydrophobicContact CG-CB 4.01Å; L183-D186 HydrophobicContact CB-CB 4.23Å; L183-D186 PolarHBondContact O-N 3Å; D186-M189 CarbonylContact O-C 3.54Å; D186-M189 WeakPolarHBondContact O-CB 3.32Å; D186-M189 PolarHBondContact O-N 3.25Å; D186-M189 VanDerWaalsContact O-N 3.13Å; D186-E190 WeakPolarHBondContact O-CG 3.47Å; D186-E190 PolarHBondContact O-N 2.91Å; D186-K313 IonicContact OD1-NZ 3.83Å; D186-K313 PolarHBondContact OD1-NZ 3.41Å; D186-K313 IonicContact OD2-NZ 2.89Å |
| 187 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 178 | -155 | 0 | 0 | 0 | 0 | 113.1 | Y128 Q131 L183 R184 E185 M189 Y191 | Y128-S187 PolarHBondContact O-OG 2.89Å; Y128-S187 VanDerWaalsContact O-OG 3.09Å; Q131-S187 WeakPolarHBondContact CB-OG 3.4Å; Q131-S187 WeakPolarHBondContact CG-OG 3.37Å; L183-S187 WeakPolarHBondContact O-CB 3.22Å; L183-S187 PolarHBondContact O-N 2.86Å; R184-S187 WeakPolarHBondContact O-CB 3.42Å; R184-S187 PolarHBondContact O-N 3.47Å; E185-S187 VanDerWaalsContact C-N 3.29Å; E185-S187 PolarHBondContact O-N 3.42Å; S187-M189 VanDerWaalsContact C-N 3.33Å; S187-Y191 WeakPolarHBondContact O-CB 3.39Å; S187-Y191 PolarHBondContact O-N 3.23Å |
| 188 | M | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.069 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 170.3 | -69.7 | -173.1 | -65.4 | 0 | 0 | 112.1 | R100 F103 A132 R184 E185 L192 | R100-M188 HydrophobicContact CB-CE 4.03Å; R100-M188 HydrophobicContact CB-SD 3.9Å; R100-M188 HydrophobicContact CG-CE 4.38Å; R100-M188 HydrophobicContact CG-SD 3.89Å; F103-M188 HydrophobicContact CB-CB 3.94Å; F103-M188 HydrophobicContact CB-CG 4.11Å; F103-M188 HydrophobicContact CB-SD 4.31Å; F103-M188 HydrophobicContact CD1-CB 4.27Å; F103-M188 HydrophobicContact CD1-CG 3.5Å; F103-M188 HydrophobicContact CD1-SD 3.49Å; F103-M188 WeakPolarHBondContact CD1-SD 3.38Å; F103-M188 HydrophobicContact CD2-CB 4.13Å; F103-M188 HydrophobicContact CD2-CG 3.99Å; F103-M188 HydrophobicContact CE1-CG 3.83Å; F103-M188 HydrophobicContact CE1-SD 4.01Å; F103-M188 HydrophobicContact CE2-CG 4.28Å; F103-M188 HydrophobicContact CG-CB 3.86Å; F103-M188 HydrophobicContact CG-CG 3.59Å; F103-M188 HydrophobicContact CG-SD 4.03Å; F103-M188 HydrophobicContact CZ-CG 4.2Å; A132-M188 HydrophobicContact CB-CG 3.75Å; R184-M188 WeakPolarHBondContact O-CG 3.35Å; R184-M188 PolarHBondContact O-N 3.25Å; E185-M188 HydrophobicContact CG-CE 4.48Å; E185-M188 PolarHBondContact O-N 3.02Å; M188-L192 WeakPolarHBondContact O-CG 3.49Å; M188-L192 PolarHBondContact O-N 3.44Å; M188-L192 VanDerWaalsContact O-N 3.14Å |
| 189 | M | 97.7 | Very high | 96.4 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70 | -46.5 | 176.1 | -178.6 | 55.9 | 67.4 | 0 | 0 | 112.3 | V89 L93 Q99 E185 D186 S187 Y191 L192 K193 | V89-M189 HydrophobicContact CB-SD 4.29Å; V89-M189 HydrophobicContact CG2-SD 3.94Å; V89-M189 WeakPolarHBondContact O-CE 3.44Å; L93-M189 HydrophobicContact CB-CE 4.4Å; Q99-M189 HydrophobicContact CG-CE 3.82Å; E185-M189 PolarHBondContact O-N 2.76Å; D186-M189 CarbonylContact O-C 3.54Å; D186-M189 WeakPolarHBondContact O-CB 3.32Å; D186-M189 PolarHBondContact O-N 3.25Å; D186-M189 VanDerWaalsContact O-N 3.13Å; S187-M189 VanDerWaalsContact C-N 3.33Å; M189-Y191 VanDerWaalsContact C-N 3.33Å; M189-Y191 PolarHBondContact O-N 2.92Å; M189-L192 CarbonylContact O-C 3.59Å; M189-L192 PolarHBondContact O-N 2.77Å; M189-L192 VanDerWaalsContact O-N 3.08Å; M189-K193 WeakPolarHBondContact O-CG 3.37Å; M189-K193 PolarHBondContact O-N 3.01Å; M189-K193 HydrophobicContact SD-CG 4.45Å |
| 190 | E | 98.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 13% | 0.131 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 176 | -65 | -51.8 | 120.9 | 0 | 0 | 111.7 | Y128 M182 D186 L192 K193 I194 | Y128-E190 HydrophobicContact CD1-CB 3.89Å; Y128-E190 HydrophobicContact CE1-CB 3.51Å; Y128-E190 HydrophobicContact CE1-CG 4.09Å; M182-E190 HydrophobicContact CE-CG 4.28Å; M182-E190 HydrophobicContact SD-CG 4.28Å; D186-E190 WeakPolarHBondContact O-CG 3.47Å; D186-E190 PolarHBondContact O-N 2.91Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.65Å; E190-K193 PolarHBondContact O-N 3.16Å; E190-K193 WeakPolarHBondContact OE1-CE 3.42Å; E190-K193 IonicContact OE1-NZ 3.56Å; E190-K193 PolarHBondContact OE1-NZ 2.87Å; E190-K193 IonicContact OE2-NZ 3.89Å; E190-I194 WeakPolarHBondContact O-CG1 3.32Å; E190-I194 PolarHBondContact O-N 3.2Å; E190-I194 VanDerWaalsContact O-N 3.1Å |
| 191 | Y | 98.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.4 | -48 | 170.1 | -174.3 | -72.6 | 0 | 0 | 0 | 111.2 | F103 V106 K107 I110 L125 A129 S187 M189 I194 A195 | F103-Y191 AromaticContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD2 4.12Å; F103-Y191 HydrophobicContact CD2-CE1 4.32Å; F103-Y191 AromaticContact CD2-CG 3.61Å; F103-Y191 HydrophobicContact CD2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CD1 4.04Å; F103-Y191 AromaticContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CE2 4.13Å; F103-Y191 AromaticContact CE2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CG 3.61Å; V106-Y191 HydrophobicContact CG1-CE1 4.25Å; K107-Y191 WeakPolarHBondContact CA-OH 3.39Å; K107-Y191 HydrophobicContact CB-CE1 4.17Å; K107-Y191 HydrophobicContact CD-CE2 4.5Å; K107-Y191 HydrophobicContact CG-CE2 4.3Å; I110-Y191 HydrophobicContact CD1-CE1 4.39Å; L125-Y191 HydrophobicContact CB-CD2 4Å; L125-Y191 HydrophobicContact CB-CE2 3.54Å; L125-Y191 HydrophobicContact CD2-CD1 4.03Å; L125-Y191 HydrophobicContact CD2-CD2 3.71Å; L125-Y191 HydrophobicContact CD2-CE1 4.18Å; L125-Y191 HydrophobicContact CD2-CE2 3.9Å; L125-Y191 HydrophobicContact CD2-CG 3.75Å; L125-Y191 VanDerWaalsContact CD2-O 3.32Å; L125-Y191 WeakPolarHBondContact CD2-O 3.18Å; L125-Y191 HydrophobicContact CG-CD2 4.42Å; L125-Y191 HydrophobicContact CG-CE2 4.19Å; L125-Y191 WeakPolarHBondContact O-CD2 3.23Å; L125-Y191 WeakPolarHBondContact O-CE2 3.48Å; A129-Y191 HydrophobicContact CB-CD2 4.26Å; A129-Y191 HydrophobicContact CB-CE2 4.08Å; S187-Y191 WeakPolarHBondContact O-CB 3.39Å; S187-Y191 PolarHBondContact O-N 3.23Å; M189-Y191 VanDerWaalsContact C-N 3.33Å; M189-Y191 PolarHBondContact O-N 2.92Å; Y191-I194 PolarHBondContact O-N 2.92Å; Y191-A195 HydrophobicContact CD1-CB 4.38Å; Y191-A195 HydrophobicContact CE1-CB 4.28Å; Y191-A195 VanDerWaalsContact O-CB 3.23Å; Y191-A195 WeakPolarHBondContact O-CB 3.24Å; Y191-A195 PolarHBondContact O-N 3.03Å |
| 192 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.5 | -37.5 | -179.4 | -76.9 | 172.5 | 0 | 0 | 0 | 113 | V89 L93 F102 F103 V106 M188 M189 E190 I194 A195 Q196 | V89-L192 HydrophobicContact CB-CB 4.16Å; V89-L192 HydrophobicContact CG1-CB 4.14Å; V89-L192 HydrophobicContact CG2-CB 4Å; L93-L192 HydrophobicContact CD1-CD1 3.95Å; F102-L192 HydrophobicContact CB-CD1 3.95Å; F102-L192 HydrophobicContact CB-CD2 4.27Å; F103-L192 HydrophobicContact CB-CD1 4.19Å; F103-L192 HydrophobicContact CB-CG 4.29Å; V106-L192 HydrophobicContact CB-CD2 4.08Å; V106-L192 HydrophobicContact CG1-CD2 4.41Å; V106-L192 HydrophobicContact CG2-CD2 3.87Å; M188-L192 WeakPolarHBondContact O-CG 3.49Å; M188-L192 PolarHBondContact O-N 3.44Å; M188-L192 VanDerWaalsContact O-N 3.14Å; M189-L192 CarbonylContact O-C 3.59Å; M189-L192 PolarHBondContact O-N 2.77Å; M189-L192 VanDerWaalsContact O-N 3.08Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.65Å; L192-I194 VanDerWaalsContact C-N 3.34Å; L192-I194 PolarHBondContact O-N 3.04Å; L192-A195 PolarHBondContact O-N 2.84Å; L192-Q196 WeakPolarHBondContact O-CB 3.34Å; L192-Q196 PolarHBondContact O-N 3.06Å |
| 193 | K | 98.3 | Very high | 97.2 | Very high | 40 Ų | 40 | 22.7 Ų | 22.7 | 17% | 0.174 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.7 | -74.3 | 176.8 | 179.1 | 174.9 | 0 | 112.3 | V89 M189 E190 Q196 E517 | V89-K193 HydrophobicContact CG2-CB 4.46Å; V89-K193 HydrophobicContact CG2-CG 3.91Å; M189-K193 WeakPolarHBondContact O-CG 3.37Å; M189-K193 PolarHBondContact O-N 3.01Å; M189-K193 HydrophobicContact SD-CG 4.45Å; E190-K193 PolarHBondContact O-N 3.16Å; E190-K193 WeakPolarHBondContact OE1-CE 3.42Å; E190-K193 IonicContact OE1-NZ 3.56Å; E190-K193 PolarHBondContact OE1-NZ 2.87Å; E190-K193 IonicContact OE2-NZ 3.89Å; K193-Q196 VanDerWaalsContact O-CG 3.3Å; K193-Q196 WeakPolarHBondContact O-CG 3.44Å; K193-E517 HydrophobicContact CB-CG 4.14Å |
| 194 | I | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.5 | -40.7 | 176.2 | -65.3 | 168.6 | 0 | 0 | 0 | 110.1 | T121 L124 L125 Y128 E190 Y191 L192 E517 V524 | T121-I194 HydrophobicContact CG2-CG2 3.58Å; L124-I194 HydrophobicContact CD2-CD1 3.98Å; L124-I194 HydrophobicContact CG-CD1 4.32Å; L125-I194 HydrophobicContact CD2-CB 3.89Å; L125-I194 HydrophobicContact CD2-CG2 3.8Å; L125-I194 HydrophobicContact CG-CG2 4.16Å; Y128-I194 HydrophobicContact CD2-CD1 4.09Å; Y128-I194 HydrophobicContact CE2-CD1 3.5Å; E190-I194 WeakPolarHBondContact O-CG1 3.32Å; E190-I194 PolarHBondContact O-N 3.2Å; E190-I194 VanDerWaalsContact O-N 3.1Å; Y191-I194 PolarHBondContact O-N 2.92Å; L192-I194 VanDerWaalsContact C-N 3.34Å; L192-I194 PolarHBondContact O-N 3.04Å; I194-E517 HydrophobicContact CG1-CG 4.37Å; I194-V524 HydrophobicContact CD1-CG1 3.93Å; I194-V524 HydrophobicContact CD1-CG2 4.19Å; I194-V524 HydrophobicContact CG1-CG1 4Å |
| 195 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.8 | -30.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | V106 I110 L125 Y191 L192 D197 L198 Y201 | V106-A195 HydrophobicContact CG1-CB 3.71Å; I110-A195 HydrophobicContact CD1-CB 4.06Å; L125-A195 HydrophobicContact CD1-CB 4.5Å; Y191-A195 HydrophobicContact CD1-CB 4.38Å; Y191-A195 HydrophobicContact CE1-CB 4.28Å; Y191-A195 VanDerWaalsContact O-CB 3.23Å; Y191-A195 WeakPolarHBondContact O-CB 3.24Å; Y191-A195 PolarHBondContact O-N 3.03Å; L192-A195 PolarHBondContact O-N 2.84Å; A195-D197 PolarHBondContact O-N 2.91Å; A195-L198 WeakPolarHBondContact O-CB 3.33Å; A195-L198 WeakPolarHBondContact O-CG 3.31Å; A195-L198 PolarHBondContact O-N 2.83Å; A195-Y201 HydrophobicContact CB-CD2 4.42Å; A195-Y201 VanDerWaalsContact O-CB 3.31Å; A195-Y201 WeakPolarHBondContact O-CB 3.5Å; A195-Y201 VanDerWaalsContact O-CD2 3.28Å; A195-Y201 WeakPolarHBondContact O-CD2 3.47Å |
| 196 | Q | 98.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.9 | -179 | 67 | 173.5 | -8.6 | 0 | 0 | 113.6 | D88 V89 L192 K193 Y201 K561 | D88-Q196 PolarHBondContact OD1-NE2 2.87Å; D88-Q196 PolarHBondContact OD1-OE1 2.94Å; V89-Q196 HydrophobicContact CG1-CB 4.26Å; V89-Q196 HydrophobicContact CG2-CG 4.42Å; V89-Q196 VanDerWaalsContact N-OE1 3.08Å; L192-Q196 WeakPolarHBondContact O-CB 3.34Å; L192-Q196 PolarHBondContact O-N 3.06Å; K193-Q196 VanDerWaalsContact O-CG 3.3Å; K193-Q196 WeakPolarHBondContact O-CG 3.44Å; Q196-Y201 HydrophobicContact CB-CD1 3.99Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.24Å; Q196-Y201 HydrophobicContact CB-CG 4.46Å; Q196-K561 PolarHBondContact O-NZ 3.49Å |
| 197 | D | 98.1 | Very high | 98 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 11% | 0.112 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.2 | -179.3 | -67.7 | -15.9 | 0 | 0 | 0 | 114.2 | A195 T516 E517 K561 Y562 | A195-D197 PolarHBondContact O-N 2.91Å; D197-T516 HydrophobicContact CB-CG2 4.06Å; D197-T516 WeakPolarHBondContact OD2-CA 3.44Å; D197-T516 WeakPolarHBondContact OD2-CB 2.99Å; D197-E517 PolarHBondContact OD2-N 2.87Å; D197-K561 WeakPolarHBondContact O-CB 3.36Å; D197-K561 WeakPolarHBondContact O-CD 3.32Å; D197-Y562 WeakPolarHBondContact OD1-CE2 3.4Å; D197-Y562 VanDerWaalsContact OD1-CZ 3.28Å; D197-Y562 PolarHBondContact OD1-OH 3.18Å |
| 198 | L | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -62.7 | 138.3 | 174.6 | -63 | 174.4 | 0 | 0 | 0 | 110.3 | I110 I115 C117 T121 A195 M200 Y201 K561 | I110-L198 HydrophobicContact CD1-CD1 3.7Å; I110-L198 HydrophobicContact CG1-CD1 4.24Å; I115-L198 HydrophobicContact CG2-CB 4.17Å; I115-L198 HydrophobicContact CG2-CD1 3.86Å; C117-L198 HydrophobicContact CB-CD1 4.07Å; T121-L198 HydrophobicContact CG2-CD2 4.32Å; A195-L198 WeakPolarHBondContact O-CB 3.33Å; A195-L198 WeakPolarHBondContact O-CG 3.31Å; A195-L198 PolarHBondContact O-N 2.83Å; L198-M200 PolarHBondContact O-N 2.86Å; L198-M200 VanDerWaalsContact O-N 3.13Å; L198-Y201 WeakPolarHBondContact O-CB 3.3Å; L198-Y201 PolarHBondContact O-N 3.17Å; L198-K561 PolarHBondContact O-NZ 3.21Å |
| 199 | E | 98.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 12% | 0.117 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -33.2 | -169.9 | -59.9 | 97.9 | 129 | 0 | 0 | 112.9 | L234 H551 | E199-L234 HydrophobicContact CB-CB 4.18Å; E199-L234 HydrophobicContact CB-CD2 4.32Å; E199-L234 WeakPolarHBondContact CB-O 3.32Å; E199-L234 HydrophobicContact CG-CB 4.34Å; E199-H551 IonicContact OE1-CE1 2.72Å; E199-H551 IonicContact OE1-CG 2.69Å; E199-H551 IonicContact OE1-ND1 3.15Å; E199-H551 PolarHBondContact OE1-ND1 2.79Å; E199-H551 IonicContact OE2-ND1 2.89Å |
| 200 | M | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.1 | 179.5 | -56 | -172.3 | 63.9 | 0 | 0 | 114.3 | E114 I115 Y116 L198 G202 V203 Y205 K233 L234 | E114-M200 WeakPolarHBondContact O-CE 3.36Å; I115-M200 HydrophobicContact CG2-CB 4.25Å; Y116-M200 VanDerWaalsContact CB-SD 3.56Å; Y116-M200 PolarHBondContact N-SD 3.41Å; Y116-M200 VanDerWaalsContact N-SD 3.45Å; L198-M200 PolarHBondContact O-N 2.86Å; L198-M200 VanDerWaalsContact O-N 3.13Å; M200-G202 PolarHBondContact O-N 2.82Å; M200-V203 PolarHBondContact O-N 2.64Å; M200-Y205 HydrophobicContact CB-CE2 4.36Å; M200-Y205 HydrophobicContact CE-CE2 3.79Å; M200-Y205 WeakPolarHBondContact CG-OH 3.35Å; M200-K233 HydrophobicContact CE-CB 4.45Å; M200-L234 HydrophobicContact CG-CD2 3.61Å; M200-L234 HydrophobicContact SD-CD2 3.79Å |
| 201 | Y | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 128.7 | -177.1 | 172.2 | -79.4 | 0 | 0 | 0 | 111.7 | F85 V89 V106 A195 Q196 L198 V203 K561 | F85-Y201 AromaticContact CD1-CE1 3.9Å; F85-Y201 HydrophobicContact CD1-CE1 3.9Å; F85-Y201 HydrophobicContact CD1-CE2 4.23Å; F85-Y201 AromaticContact CD1-CZ 3.66Å; F85-Y201 HydrophobicContact CE1-CE2 4.26Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.41Å; V106-Y201 HydrophobicContact CG1-CD2 4.05Å; V106-Y201 HydrophobicContact CG1-CE2 3.98Å; V106-Y201 HydrophobicContact CG2-CD2 4.34Å; V106-Y201 HydrophobicContact CG2-CE2 3.7Å; A195-Y201 HydrophobicContact CB-CD2 4.42Å; A195-Y201 VanDerWaalsContact O-CB 3.31Å; A195-Y201 WeakPolarHBondContact O-CB 3.5Å; A195-Y201 VanDerWaalsContact O-CD2 3.28Å; A195-Y201 WeakPolarHBondContact O-CD2 3.47Å; Q196-Y201 HydrophobicContact CB-CD1 3.99Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.24Å; Q196-Y201 HydrophobicContact CB-CG 4.46Å; L198-Y201 WeakPolarHBondContact O-CB 3.3Å; L198-Y201 PolarHBondContact O-N 3.17Å; Y201-V203 PolarHBondContact O-N 3.26Å; Y201-K561 PolarHBondContact O-NZ 2.86Å |
| 202 | G | 96.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -6.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M200 | M200-G202 PolarHBondContact O-N 2.82Š|
| 203 | V | 98.1 | Very high | 97 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | trans | -85.5 | 116.9 | -171.1 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | M200 Y201 Y205 D221 Y228 | M200-V203 PolarHBondContact O-N 2.64Å; Y201-V203 PolarHBondContact O-N 3.26Å; V203-Y205 HydrophobicContact CB-CD2 4.27Å; V203-Y205 HydrophobicContact CB-CE2 3.64Å; V203-Y205 HydrophobicContact CG1-CD1 4.15Å; V203-Y205 HydrophobicContact CG1-CD2 3.92Å; V203-Y205 HydrophobicContact CG1-CE1 3.82Å; V203-Y205 HydrophobicContact CG1-CE2 3.54Å; V203-Y205 HydrophobicContact CG1-CG 4.2Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.49Å; V203-Y205 WeakPolarHBondContact O-CD2 3.46Å; V203-Y205 PolarHBondContact O-N 3.48Å; V203-D221 HydrophobicContact CG2-CB 4.34Å; V203-Y228 HydrophobicContact CG1-CE2 4.46Å | ||
| 204 | N | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 30.8 Ų | 30.8 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 104 | 171.2 | -74.9 | -105.3 | 0 | 0 | 0 | 109.8 | F206 G219 V220 L283 | N204-F206 HydrophobicContact CB-CE2 3.96Å; N204-F206 VanDerWaalsContact O-CD2 3.29Å; N204-F206 WeakPolarHBondContact O-CD2 3.47Å; N204-G219 WeakPolarHBondContact O-CA 3.23Å; N204-V220 HydrophobicContact CB-CB 4.36Å; N204-V220 WeakPolarHBondContact CB-O 3.48Å; N204-V220 PolarHBondContact N-O 2.68Å; N204-V220 PolarHBondContact O-N 2.83Å; N204-L283 HydrophobicContact CB-CD1 3.78Å; N204-L283 WeakPolarHBondContact OD1-CD1 3.32Å |
| 205 | Y | 97.4 | Very high | 96.7 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 140.8 | -178.6 | -65.3 | -90.7 | 0 | 0 | 0 | 113.6 | M200 V203 W217 L218 Y228 K233 | M200-Y205 HydrophobicContact CB-CE2 4.36Å; M200-Y205 HydrophobicContact CE-CE2 3.79Å; M200-Y205 WeakPolarHBondContact CG-OH 3.35Å; V203-Y205 HydrophobicContact CB-CD2 4.27Å; V203-Y205 HydrophobicContact CB-CE2 3.64Å; V203-Y205 HydrophobicContact CG1-CD1 4.15Å; V203-Y205 HydrophobicContact CG1-CD2 3.92Å; V203-Y205 HydrophobicContact CG1-CE1 3.82Å; V203-Y205 HydrophobicContact CG1-CE2 3.54Å; V203-Y205 HydrophobicContact CG1-CG 4.2Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.49Å; V203-Y205 WeakPolarHBondContact O-CD2 3.46Å; V203-Y205 PolarHBondContact O-N 3.48Å; Y205-W217 HydrophobicContact CD1-CB 4.27Å; Y205-L218 CarbonylContact C-O 3.58Å; Y205-L218 WeakPolarHBondContact CA-O 3.42Å; Y205-Y228 HydrophobicContact CE1-CD1 4.33Å; Y205-Y228 HydrophobicContact CE1-CD2 4.27Å; Y205-Y228 HydrophobicContact CE1-CE1 4.02Å; Y205-Y228 AromaticContact CE1-CE2 4Å; Y205-Y228 HydrophobicContact CE1-CE2 4Å; Y205-Y228 HydrophobicContact CE1-CG 4.46Å; Y205-Y228 AromaticContact CE1-CZ 3.87Å; Y205-K233 HydrophobicContact CD1-CB 4.48Å; Y205-K233 HydrophobicContact CD1-CD 4.13Å; Y205-K233 HydrophobicContact CD1-CG 4.12Å; Y205-K233 HydrophobicContact CE1-CB 3.8Å; Y205-K233 HydrophobicContact CE1-CD 4.24Å; Y205-K233 HydrophobicContact CE1-CG 3.93Å; Y205-K233 HydrophobicContact CG-CD 4.45Å; Y205-K233 PolarHBondContact OH-O 2.93Å |
| 206 | F | 97.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 132.6 | 178.6 | -68.1 | -85.3 | 0 | 0 | 0 | 112.3 | N204 I208 W217 L218 V220 I276 R279 I280 L283 | N204-F206 HydrophobicContact CB-CE2 3.96Å; N204-F206 VanDerWaalsContact O-CD2 3.29Å; N204-F206 WeakPolarHBondContact O-CD2 3.47Å; F206-I208 PolarHBondContact O-N 3.05Å; F206-W217 CarbonylContact O-C 3.54Å; F206-W217 WeakPolarHBondContact O-CA 3.29Å; F206-L218 HydrophobicContact CB-CB 4.35Å; F206-L218 PolarHBondContact N-O 2.69Å; F206-L218 PolarHBondContact O-N 2.98Å; F206-V220 HydrophobicContact CD2-CG2 4.13Å; F206-V220 HydrophobicContact CE2-CG2 4.07Å; F206-I276 HydrophobicContact CD1-CG2 3.58Å; F206-I276 HydrophobicContact CE1-CG2 4.05Å; F206-R279 HydrophobicContact CE1-CB 4.2Å; F206-R279 HydrophobicContact CE1-CG 4.31Å; F206-R279 HydrophobicContact CZ-CB 4.35Å; F206-R279 HydrophobicContact CZ-CG 4.14Å; F206-I280 HydrophobicContact CB-CD1 4.1Å; F206-I280 HydrophobicContact CB-CG1 4.31Å; F206-I280 HydrophobicContact CD1-CD1 4.02Å; F206-I280 HydrophobicContact CD1-CG1 3.58Å; F206-I280 HydrophobicContact CD2-CD1 4.45Å; F206-I280 HydrophobicContact CD2-CG1 3.77Å; F206-I280 HydrophobicContact CE1-CD1 4.46Å; F206-I280 HydrophobicContact CE1-CG1 3.57Å; F206-I280 HydrophobicContact CE2-CG1 3.81Å; F206-I280 HydrophobicContact CG-CD1 3.97Å; F206-I280 HydrophobicContact CG-CG1 3.64Å; F206-I280 HydrophobicContact CZ-CB 4.5Å; F206-I280 HydrophobicContact CZ-CG1 3.69Å; F206-L283 HydrophobicContact CE2-CD1 3.87Å; F206-L283 HydrophobicContact CZ-CD1 3.77Å |
| 207 | E | 97.1 | Very high | 96.6 | Very high | 111 Ų | 111 | 36.9 Ų | 36.9 | 52% | 0.519 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122 | 170.1 | -65.8 | 165.4 | -155.2 | 0 | 0 | 110.5 | W217 P272 | E207-W217 HydrophobicContact CG-CE3 4.12Å; E207-W217 HydrophobicContact CG-CH2 3.54Å; E207-W217 HydrophobicContact CG-CZ2 4.23Å; E207-W217 HydrophobicContact CG-CZ3 3.51Å; E207-P272 WeakPolarHBondContact O-CD 3.36Å |
| 208 | I | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 167.7 | 176.7 | 62.3 | 151.9 | 0 | 0 | 0 | 111.3 | F206 L216 L218 I227 F269 Y270 F580 | F206-I208 PolarHBondContact O-N 3.05Å; I208-L216 HydrophobicContact CD1-CB 4.49Å; I208-L216 HydrophobicContact CG1-CB 4.13Å; I208-L216 PolarHBondContact N-O 3.27Å; I208-L216 PolarHBondContact O-N 3.41Å; I208-L216 VanDerWaalsContact O-O 3.1Å; I208-L218 HydrophobicContact CD1-CB 3.93Å; I208-L218 HydrophobicContact CG1-CB 4.05Å; I208-L218 HydrophobicContact CG2-CB 3.91Å; I208-I227 HydrophobicContact CD1-CD1 4.23Å; I208-F269 HydrophobicContact CB-CB 4.47Å; I208-F269 HydrophobicContact CB-CD2 3.83Å; I208-F269 HydrophobicContact CB-CE2 4.48Å; I208-F269 HydrophobicContact CB-CG 4.4Å; I208-F269 HydrophobicContact CD1-CB 3.94Å; I208-F269 HydrophobicContact CD1-CD1 4.5Å; I208-F269 HydrophobicContact CD1-CD2 4.2Å; I208-F269 HydrophobicContact CD1-CG 3.98Å; I208-F269 HydrophobicContact CG2-CD2 3.47Å; I208-F269 VanDerWaalsContact CG2-CD2 3.47Å; I208-F269 HydrophobicContact CG2-CE2 3.63Å; I208-F269 HydrophobicContact CG2-CG 4.37Å; I208-Y270 CarbonylContact C-O 3.58Å; I208-Y270 WeakPolarHBondContact CA-O 3.28Å; I208-F580 HydrophobicContact CD1-CE2 4.08Å; I208-F580 HydrophobicContact CD1-CZ 4.33Å |
| 209 | K | 97.3 | Very high | 96.7 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144 | 171.1 | -66.4 | 176.4 | 176.3 | -106.2 | 0 | 111.9 | G213 T214 E215 F269 Y270 | K209-G213 PolarHBondContact NZ-O 2.99Å; K209-G213 VanDerWaalsContact NZ-O 3.15Å; K209-T214 VanDerWaalsContact CA-O 3.24Å; K209-T214 WeakPolarHBondContact CA-O 3.36Å; K209-E215 HydrophobicContact CD-CG 4.49Å; K209-E215 WeakPolarHBondContact CE-OE1 3.3Å; K209-E215 HydrophobicContact CG-CG 4.3Å; K209-E215 VanDerWaalsContact NZ-CD 3.34Å; K209-E215 IonicContact NZ-OE1 2.77Å; K209-E215 PolarHBondContact NZ-OE1 3.05Å; K209-F269 CarbonylContact O-C 3.57Å; K209-F269 WeakPolarHBondContact O-CA 3.44Å; K209-F269 WeakPolarHBondContact O-CB 3.3Å; K209-Y270 PolarHBondContact N-O 3.49Å; K209-Y270 PolarHBondContact O-N 3.31Å |
| 210 | N | 95.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | trans | -78.5 | -179.2 | 168 | 72.8 | 3.1 | 0 | 0 | 0 | 111.3 | K212 G213 T214 L216 F580 M583 | N210-K212 PolarHBondContact O-N 3.28Å; N210-K212 WeakPolarHBondContact OD1-CB 3.37Å; N210-K212 PolarHBondContact OD1-N 2.94Å; N210-K212 VanDerWaalsContact OD1-N 3.14Å; N210-G213 PolarHBondContact O-N 3.46Å; N210-G213 PolarHBondContact OD1-N 3.04Å; N210-T214 PolarHBondContact N-O 3.11Å; N210-T214 WeakPolarHBondContact OD1-CB 3.36Å; N210-T214 PolarHBondContact OD1-N 3.49Å; N210-T214 VanDerWaalsContact OD1-N 3.12Å; N210-L216 HydrophobicContact CB-CD1 4.4Å; N210-F580 HydrophobicContact CB-CD1 4.03Å; N210-F580 HydrophobicContact CB-CE1 3.35Å; N210-F580 HydrophobicContact CB-CE2 4.11Å; N210-F580 HydrophobicContact CB-CZ 3.41Å; N210-F580 VanDerWaalsContact CB-CZ 3.41Å; N210-F580 PolarHBondContact ND2-O 3.16Å; N210-M583 PolarHBondContact ND2-O 3.34Å; N210-M583 VanDerWaalsContact ND2-O 3.08Å | ||
| 211 | K | 93.4 | Very high | 96.7 | Very high | 117 Ų | 117 | 33.7 Ų | 33.7 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.3 | -178.1 | -66.8 | 176.6 | -172.9 | 88.6 | 0 | 113.3 | G213 Y270 E581 | K211-G213 VanDerWaalsContact C-N 3.33Å; K211-Y270 HydrophobicContact CG-CE2 4.12Å; K211-E581 VanDerWaalsContact CB-OE2 3.3Å; K211-E581 WeakPolarHBondContact CB-OE2 3.18Å; K211-E581 WeakPolarHBondContact CD-OE1 3.34Å; K211-E581 WeakPolarHBondContact CE-OE1 3.49Å; K211-E581 VanDerWaalsContact CG-OE1 3.28Å; K211-E581 WeakPolarHBondContact CG-OE1 3.12Å; K211-E581 PolarHBondContact N-OE2 3.05Å; K211-E581 IonicContact NZ-OE1 3.76Å; K211-E581 PolarHBondContact NZ-OE1 3.29Å |
| 212 | K | 92.3 | Very high | 96.6 | Very high | 87 Ų | 87 | 33.5 Ų | 33.5 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.9 | 174.5 | -63.5 | 173.4 | 176.1 | 165.3 | 0 | 113.7 | N210 E581 A582 W584 | N210-K212 PolarHBondContact O-N 3.28Å; N210-K212 WeakPolarHBondContact OD1-CB 3.37Å; N210-K212 PolarHBondContact OD1-N 2.94Å; N210-K212 VanDerWaalsContact OD1-N 3.14Å; K212-E581 VanDerWaalsContact CD-O 3.28Å; K212-E581 WeakPolarHBondContact CD-O 3.26Å; K212-E581 WeakPolarHBondContact CE-O 3.34Å; K212-E581 PolarHBondContact NZ-O 2.95Å; K212-A582 PolarHBondContact NZ-O 3.47Å; K212-W584 HydrophobicContact CD-CE3 3.99Å; K212-W584 HydrophobicContact CD-CH2 3.98Å; K212-W584 HydrophobicContact CD-CZ2 4.48Å; K212-W584 HydrophobicContact CD-CZ3 3.7Å |
| 213 | G | 92.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | trans | 83.8 | 7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | K209 N210 K211 E215 | K209-G213 PolarHBondContact NZ-O 2.99Å; K209-G213 VanDerWaalsContact NZ-O 3.15Å; N210-G213 PolarHBondContact O-N 3.46Å; N210-G213 PolarHBondContact OD1-N 3.04Å; K211-G213 VanDerWaalsContact C-N 3.33Å; G213-E215 PolarHBondContact O-N 2.76Å | ||
| 214 | T | 94.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | trans | -56.9 | 129.7 | 173.6 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | K209 N210 L216 M583 G585 | K209-T214 VanDerWaalsContact CA-O 3.24Å; K209-T214 WeakPolarHBondContact CA-O 3.36Å; N210-T214 PolarHBondContact N-O 3.11Å; N210-T214 WeakPolarHBondContact OD1-CB 3.36Å; N210-T214 PolarHBondContact OD1-N 3.49Å; N210-T214 VanDerWaalsContact OD1-N 3.12Å; T214-L216 HydrophobicContact CG2-CD1 4.48Å; T214-L216 HydrophobicContact CG2-CD2 3.92Å; T214-L216 HydrophobicContact CG2-CG 3.98Å; T214-M583 PolarHBondContact OG1-O 2.89Å; T214-G585 VanDerWaalsContact CG2-N 3.28Å; T214-G585 PolarHBondContact OG1-N 3.15Å | ||
| 215 | E | 96.3 | Very high | 96.5 | Very high | 107 Ų | 107 | 30.9 Ų | 30.9 | 50% | 0.5 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 125.9 | 176.4 | -77 | 153 | 179.7 | 0 | 0 | 110.2 | K209 G213 | K209-E215 HydrophobicContact CD-CG 4.49Å; K209-E215 WeakPolarHBondContact CE-OE1 3.3Å; K209-E215 HydrophobicContact CG-CG 4.3Å; K209-E215 VanDerWaalsContact NZ-CD 3.34Å; K209-E215 IonicContact NZ-OE1 2.77Å; K209-E215 PolarHBondContact NZ-OE1 3.05Å; G213-E215 PolarHBondContact O-N 2.76Å |
| 216 | L | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 161.2 | -174.7 | -62.3 | 171.7 | 0 | 0 | 0 | 109.4 | I208 N210 T214 I227 Y228 F580 M583 | I208-L216 HydrophobicContact CD1-CB 4.49Å; I208-L216 HydrophobicContact CG1-CB 4.13Å; I208-L216 PolarHBondContact N-O 3.27Å; I208-L216 PolarHBondContact O-N 3.41Å; I208-L216 VanDerWaalsContact O-O 3.1Å; N210-L216 HydrophobicContact CB-CD1 4.4Å; T214-L216 HydrophobicContact CG2-CD1 4.48Å; T214-L216 HydrophobicContact CG2-CD2 3.92Å; T214-L216 HydrophobicContact CG2-CG 3.98Å; L216-I227 HydrophobicContact CB-CG2 4.3Å; L216-I227 HydrophobicContact CD1-CG2 4.05Å; L216-Y228 WeakPolarHBondContact CA-O 3.34Å; L216-F580 HydrophobicContact CD1-CD2 4.02Å; L216-F580 HydrophobicContact CD1-CE2 3.56Å; L216-F580 HydrophobicContact CD1-CZ 4.33Å; L216-M583 HydrophobicContact CD1-CB 4.41Å; L216-M583 HydrophobicContact CD1-SD 3.92Å; L216-M583 HydrophobicContact CD2-CB 4.47Å; L216-M583 HydrophobicContact CD2-CE 3.66Å; L216-M583 HydrophobicContact CD2-SD 3.92Å |
| 217 | W | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 11% | 0.114 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137 | 165.5 | -55.9 | 89 | 0 | 0 | 0 | 111.1 | Y205 F206 E207 I227 Y228 H230 K233 | Y205-W217 HydrophobicContact CD1-CB 4.27Å; F206-W217 CarbonylContact O-C 3.54Å; F206-W217 WeakPolarHBondContact O-CA 3.29Å; E207-W217 HydrophobicContact CG-CE3 4.12Å; E207-W217 HydrophobicContact CG-CH2 3.54Å; E207-W217 HydrophobicContact CG-CZ2 4.23Å; E207-W217 HydrophobicContact CG-CZ3 3.51Å; W217-I227 WeakPolarHBondContact O-CA 3.38Å; W217-Y228 HydrophobicContact CB-CD2 4.41Å; W217-Y228 PolarHBondContact N-O 2.95Å; W217-Y228 PolarHBondContact O-N 2.9Å; W217-H230 AromaticContact NE1-CD2 3.97Å; W217-H230 PolarHBondContact NE1-O 2.9Å; W217-K233 VanDerWaalsContact CZ2-NZ 3.26Å |
| 218 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.5 | 160.2 | 176.4 | 71.8 | 0 | 0 | 0 | 108.1 | Y205 F206 I208 V220 L225 I227 F269 I280 | Y205-L218 CarbonylContact C-O 3.58Å; Y205-L218 WeakPolarHBondContact CA-O 3.42Å; F206-L218 HydrophobicContact CB-CB 4.35Å; F206-L218 PolarHBondContact N-O 2.69Å; F206-L218 PolarHBondContact O-N 2.98Å; I208-L218 HydrophobicContact CD1-CB 3.93Å; I208-L218 HydrophobicContact CG1-CB 4.05Å; I208-L218 HydrophobicContact CG2-CB 3.91Å; L218-V220 HydrophobicContact CD2-CG2 4.03Å; L218-V220 HydrophobicContact CG-CG2 4.12Å; L218-L225 HydrophobicContact CD1-CB 4.29Å; L218-L225 HydrophobicContact CD1-CD2 4.29Å; L218-I227 HydrophobicContact CD1-CD1 3.66Å; L218-F269 HydrophobicContact CD2-CE1 4.07Å; L218-F269 HydrophobicContact CD2-CE2 4.05Å; L218-F269 HydrophobicContact CD2-CZ 3.51Å; L218-I280 HydrophobicContact CD2-CD1 4.21Å; L218-I280 HydrophobicContact CD2-CG2 3.88Å |
| 219 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N204 N226 | N204-G219 WeakPolarHBondContact O-CA 3.23Å; G219-N226 PolarHBondContact N-O 2.67Å; G219-N226 PolarHBondContact O-N 2.85Å |
| 220 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.7 | 170.5 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | N204 F206 L218 L225 W242 I280 L283 | N204-V220 HydrophobicContact CB-CB 4.36Å; N204-V220 WeakPolarHBondContact CB-O 3.48Å; N204-V220 PolarHBondContact N-O 2.68Å; N204-V220 PolarHBondContact O-N 2.83Å; F206-V220 HydrophobicContact CD2-CG2 4.13Å; F206-V220 HydrophobicContact CE2-CG2 4.07Å; L218-V220 HydrophobicContact CD2-CG2 4.03Å; L218-V220 HydrophobicContact CG-CG2 4.12Å; V220-L225 HydrophobicContact CB-CD2 4.17Å; V220-L225 HydrophobicContact CG1-CD2 3.97Å; V220-L225 HydrophobicContact CG2-CD2 3.8Å; V220-W242 HydrophobicContact CG1-CH2 4.1Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; V220-I280 HydrophobicContact CG2-CG2 4.39Å; V220-L283 HydrophobicContact CG1-CB 4.06Å |
| 221 | D | 97.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -138.4 | -176.2 | -179 | 67.4 | 35.8 | 0 | 0 | 0 | 112.3 | V203 L223 G224 N226 W242 N287 | V203-D221 HydrophobicContact CG2-CB 4.34Å; D221-L223 PolarHBondContact O-N 3.07Å; D221-L223 VanDerWaalsContact OD1-CA 3.3Å; D221-L223 WeakPolarHBondContact OD1-CA 3.3Å; D221-L223 WeakPolarHBondContact OD1-CB 3.41Å; D221-L223 PolarHBondContact OD1-N 3.42Å; D221-G224 PolarHBondContact N-O 2.81Å; D221-G224 PolarHBondContact OD1-N 3.18Å; D221-N226 PolarHBondContact OD2-ND2 3.31Å; D221-W242 WeakPolarHBondContact O-CZ2 3.36Å; D221-W242 PolarHBondContact O-NE1 2.92Å; D221-N287 WeakPolarHBondContact O-CB 3.47Å | ||
| 222 | A | 96.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -70.3 | -16.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | E87 | E87-A222 HydrophobicContact CG-CB 3.93Š|
| 223 | L | 95.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -102.5 | -18.7 | -174.3 | -58.4 | 169.3 | 0 | 0 | 0 | 112.8 | E87 D221 E511 Y562 L565 R569 | E87-L223 HydrophobicContact CB-CD2 4.17Å; E87-L223 HydrophobicContact CG-CD2 3.73Å; D221-L223 PolarHBondContact O-N 3.07Å; D221-L223 VanDerWaalsContact OD1-CA 3.3Å; D221-L223 WeakPolarHBondContact OD1-CA 3.3Å; D221-L223 WeakPolarHBondContact OD1-CB 3.41Å; D221-L223 PolarHBondContact OD1-N 3.42Å; L223-E511 HydrophobicContact CD2-CB 4Å; L223-Y562 HydrophobicContact CD1-CE1 4.45Å; L223-L565 HydrophobicContact CD1-CD1 3.74Å; L223-R569 PolarHBondContact O-NH1 3.41Å; L223-R569 PolarHBondContact O-NH2 3.25Å |
| 224 | G | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.3 | -146.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | D221 F240 W242 | D221-G224 PolarHBondContact N-O 2.81Å; D221-G224 PolarHBondContact OD1-N 3.18Å; G224-F240 WeakPolarHBondContact CA-O 3.47Å; G224-W242 WeakPolarHBondContact O-CZ2 3.12Å |
| 225 | L | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.7 | 172.9 | -62.7 | -179.6 | 0 | 0 | 0 | 109.8 | L218 V220 G239 F240 W242 I245 I257 | L218-L225 HydrophobicContact CD1-CB 4.29Å; L218-L225 HydrophobicContact CD1-CD2 4.29Å; V220-L225 HydrophobicContact CB-CD2 4.17Å; V220-L225 HydrophobicContact CG1-CD2 3.97Å; V220-L225 HydrophobicContact CG2-CD2 3.8Å; L225-G239 WeakPolarHBondContact O-CA 3.36Å; L225-F240 PolarHBondContact N-O 2.98Å; L225-F240 PolarHBondContact O-N 3.03Å; L225-W242 HydrophobicContact CD1-CH2 4.43Å; L225-W242 HydrophobicContact CD1-CZ3 4.36Å; L225-W242 HydrophobicContact CD2-CH2 3.5Å; L225-W242 VanDerWaalsContact CD2-CH2 3.5Å; L225-W242 HydrophobicContact CD2-CZ2 4.08Å; L225-W242 HydrophobicContact CD2-CZ3 4.22Å; L225-W242 HydrophobicContact CG-CH2 3.79Å; L225-W242 HydrophobicContact CG-CZ2 4.42Å; L225-W242 HydrophobicContact CG-CZ3 4.04Å; L225-I245 HydrophobicContact CD1-CD1 3.68Å; L225-I245 HydrophobicContact CG-CD1 4.08Å; L225-I257 HydrophobicContact CD1-CD1 3.27Å |
| 226 | N | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.011 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.8 | -179.5 | -49.9 | -44.2 | 0 | 0 | 0 | 110 | G219 D221 Y228 P236 I238 L565 | G219-N226 PolarHBondContact N-O 2.67Å; G219-N226 PolarHBondContact O-N 2.85Å; D221-N226 PolarHBondContact OD2-ND2 3.31Å; N226-Y228 HydrophobicContact CB-CE2 3.69Å; N226-P236 HydrophobicContact CB-CB 3.86Å; N226-P236 HydrophobicContact CB-CG 4.43Å; N226-I238 WeakPolarHBondContact CA-O 3.49Å; N226-L565 WeakPolarHBondContact OD1-CD2 3.28Å |
| 227 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.8 | 176.4 | -47.5 | -59.9 | 0 | 0 | 0 | 109.8 | I208 L216 W217 L218 P236 K237 I238 F267 F580 M583 | I208-I227 HydrophobicContact CD1-CD1 4.23Å; L216-I227 HydrophobicContact CB-CG2 4.3Å; L216-I227 HydrophobicContact CD1-CG2 4.05Å; W217-I227 WeakPolarHBondContact O-CA 3.38Å; L218-I227 HydrophobicContact CD1-CD1 3.66Å; I227-P236 CarbonylContact O-C 3.59Å; I227-P236 WeakPolarHBondContact O-CA 3.46Å; I227-K237 PolarHBondContact O-N 2.89Å; I227-I238 HydrophobicContact CB-CB 4.22Å; I227-I238 HydrophobicContact CG1-CB 4.31Å; I227-I238 PolarHBondContact N-O 3.11Å; I227-F267 HydrophobicContact CD1-CE1 4.43Å; I227-F267 HydrophobicContact CD1-CZ 3.74Å; I227-F267 HydrophobicContact CG1-CZ 4.39Å; I227-F580 HydrophobicContact CD1-CD2 4.48Å; I227-F580 HydrophobicContact CD1-CE2 4.36Å; I227-F580 HydrophobicContact CG1-CD2 4.13Å; I227-F580 HydrophobicContact CG1-CE2 4.47Å; I227-F580 HydrophobicContact CG2-CD2 3.99Å; I227-F580 HydrophobicContact CG2-CE2 4.12Å; I227-M583 HydrophobicContact CG2-SD 4.08Å |
| 228 | Y | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.2 | -179.1 | -51.8 | -112.6 | 0 | 0 | 0 | 110.5 | V203 Y205 L216 W217 N226 D232 K233 P236 | V203-Y228 HydrophobicContact CG1-CE2 4.46Å; Y205-Y228 HydrophobicContact CE1-CD1 4.33Å; Y205-Y228 HydrophobicContact CE1-CD2 4.27Å; Y205-Y228 HydrophobicContact CE1-CE1 4.02Å; Y205-Y228 AromaticContact CE1-CE2 4Å; Y205-Y228 HydrophobicContact CE1-CE2 4Å; Y205-Y228 HydrophobicContact CE1-CG 4.46Å; Y205-Y228 AromaticContact CE1-CZ 3.87Å; L216-Y228 WeakPolarHBondContact CA-O 3.34Å; W217-Y228 HydrophobicContact CB-CD2 4.41Å; W217-Y228 PolarHBondContact N-O 2.95Å; W217-Y228 PolarHBondContact O-N 2.9Å; N226-Y228 HydrophobicContact CB-CE2 3.69Å; Y228-D232 WeakPolarHBondContact CB-O 3.41Å; Y228-K233 WeakPolarHBondContact CD1-O 3.32Å; Y228-K233 WeakPolarHBondContact CE1-O 3.19Å; Y228-P236 HydrophobicContact CD1-CB 3.85Å; Y228-P236 HydrophobicContact CD1-CG 4.48Å; Y228-P236 HydrophobicContact CD2-CB 4.34Å; Y228-P236 HydrophobicContact CE1-CB 3.65Å; Y228-P236 VanDerWaalsContact CE1-CD 3.5Å; Y228-P236 HydrophobicContact CE1-CG 3.9Å; Y228-P236 HydrophobicContact CE2-CB 4.13Å; Y228-P236 HydrophobicContact CG-CB 4.19Å |
| 229 | E | 95.7 | Very high | 97 | Very high | 78 Ų | 78 | 21.4 Ų | 21.4 | 36% | 0.364 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 155.3 | 168 | -69.6 | 171.9 | 152.5 | 0 | 0 | 109.9 | D231 D232 K237 M583 | E229-D231 PolarHBondContact O-N 2.74Å; E229-D231 VanDerWaalsContact O-N 3.1Å; E229-D232 PolarHBondContact O-N 3.21Å; E229-K237 VanDerWaalsContact CD-CE 3.46Å; E229-K237 HydrophobicContact CG-CG 4Å; E229-K237 WeakPolarHBondContact OE2-CE 3.44Å; E229-K237 IonicContact OE2-NZ 2.61Å; E229-M583 HydrophobicContact CG-CE 3.53Å |
| 230 | H | 92.8 | Very high | 96.9 | Very high | 92 Ų | 92 | 21.7 Ų | 21.7 | 43% | 0.426 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.4 | -169.5 | -176.4 | -88.9 | 0 | 0 | 0 | 113.6 | W217 | W217-H230 AromaticContact NE1-CD2 3.97Å; W217-H230 PolarHBondContact NE1-O 2.9Å |
| 231 | D | 93.8 | Very high | 96.8 | Very high | 84 Ų | 84 | 21.7 Ų | 21.7 | 45% | 0.449 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -1 | -172.1 | 53.9 | -38.8 | 0 | 0 | 0 | 114.6 | E229 Q546 | E229-D231 PolarHBondContact O-N 2.74Å; E229-D231 VanDerWaalsContact O-N 3.1Å; D231-Q546 PolarHBondContact O-NE2 3.18Å |
| 232 | D | 96.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.048 | 10% | 0.104 | C | C | . | . | trans | -133.2 | 100.6 | 175.5 | 176 | 9.7 | 0 | 0 | 0 | 111.4 | Y228 E229 L234 T235 K237 L550 | Y228-D232 WeakPolarHBondContact CB-O 3.41Å; E229-D232 PolarHBondContact O-N 3.21Å; D232-L234 PolarHBondContact OD1-N 3.31Å; D232-T235 PolarHBondContact OD1-N 3.45Å; D232-T235 PolarHBondContact OD1-OG1 3.12Å; D232-T235 WeakPolarHBondContact OD2-CB 3.35Å; D232-T235 PolarHBondContact OD2-OG1 2.85Å; D232-K237 IonicContact OD2-NZ 3.43Å; D232-K237 PolarHBondContact OD2-NZ 3.42Å; D232-L550 HydrophobicContact CB-CD1 3.97Å; D232-L550 HydrophobicContact CB-CD2 4.13Å | ||
| 233 | K | 97 | Very high | 96.5 | Very high | 58 Ų | 58 | 22.2 Ų | 22.2 | 25% | 0.252 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -88.6 | -5.1 | 175.6 | -72.7 | -176.1 | 177.1 | 178.5 | 0 | 114.3 | M200 Y205 W217 Y228 | M200-K233 HydrophobicContact CE-CB 4.45Å; Y205-K233 HydrophobicContact CD1-CB 4.48Å; Y205-K233 HydrophobicContact CD1-CD 4.13Å; Y205-K233 HydrophobicContact CD1-CG 4.12Å; Y205-K233 HydrophobicContact CE1-CB 3.8Å; Y205-K233 HydrophobicContact CE1-CD 4.24Å; Y205-K233 HydrophobicContact CE1-CG 3.93Å; Y205-K233 HydrophobicContact CG-CD 4.45Å; Y205-K233 PolarHBondContact OH-O 2.93Å; W217-K233 VanDerWaalsContact CZ2-NZ 3.26Å; Y228-K233 WeakPolarHBondContact CD1-O 3.32Å; Y228-K233 WeakPolarHBondContact CE1-O 3.19Å |
| 234 | L | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -90.5 | -43.4 | -179.1 | -54.4 | -172.5 | 0 | 0 | 0 | 110.9 | Y116 E199 M200 D232 P236 N547 L550 H551 | Y116-L234 HydrophobicContact CD1-CD1 4.02Å; Y116-L234 HydrophobicContact CD1-CD2 4.03Å; Y116-L234 HydrophobicContact CE1-CD1 4.28Å; Y116-L234 HydrophobicContact CG-CD1 4.45Å; Y116-L234 HydrophobicContact CG-CD2 4.1Å; E199-L234 HydrophobicContact CB-CB 4.18Å; E199-L234 HydrophobicContact CB-CD2 4.32Å; E199-L234 WeakPolarHBondContact CB-O 3.32Å; E199-L234 HydrophobicContact CG-CB 4.34Å; M200-L234 HydrophobicContact CG-CD2 3.61Å; M200-L234 HydrophobicContact SD-CD2 3.79Å; D232-L234 PolarHBondContact OD1-N 3.31Å; L234-P236 WeakPolarHBondContact O-CD 3.49Å; L234-N547 HydrophobicContact CD1-CB 4.21Å; L234-N547 WeakPolarHBondContact CD1-O 3.37Å; L234-L550 HydrophobicContact CD1-CB 4Å; L234-H551 HydrophobicContact CD1-CB 3.87Å |
| 235 | T | 97.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 6% | 0.055 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -107 | 94.2 | -173.6 | -18.2 | 0 | 0 | 0 | 0 | 110.6 | D232 K237 N554 T564 | D232-T235 PolarHBondContact OD1-N 3.45Å; D232-T235 PolarHBondContact OD1-OG1 3.12Å; D232-T235 WeakPolarHBondContact OD2-CB 3.35Å; D232-T235 PolarHBondContact OD2-OG1 2.85Å; T235-K237 WeakPolarHBondContact O-CD 3.2Å; T235-K237 PolarHBondContact O-NZ 2.84Å; T235-N554 WeakPolarHBondContact CG2-OD1 3.46Å; T235-N554 PolarHBondContact OG1-ND2 3.45Å; T235-N554 PolarHBondContact OG1-OD1 2.97Å; T235-T564 HydrophobicContact CG2-CG2 3.99Å |
| 236 | P | 97.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | trans | -61.9 | 152.2 | 169.7 | 25.8 | -30.7 | 0 | 0 | 0 | 110.3 | N226 I227 Y228 L234 T564 I568 | N226-P236 HydrophobicContact CB-CB 3.86Å; N226-P236 HydrophobicContact CB-CG 4.43Å; I227-P236 CarbonylContact O-C 3.59Å; I227-P236 WeakPolarHBondContact O-CA 3.46Å; Y228-P236 HydrophobicContact CD1-CB 3.85Å; Y228-P236 HydrophobicContact CD1-CG 4.48Å; Y228-P236 HydrophobicContact CD2-CB 4.34Å; Y228-P236 HydrophobicContact CE1-CB 3.65Å; Y228-P236 VanDerWaalsContact CE1-CD 3.5Å; Y228-P236 HydrophobicContact CE1-CG 3.9Å; Y228-P236 HydrophobicContact CE2-CB 4.13Å; Y228-P236 HydrophobicContact CG-CB 4.19Å; L234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-T564 HydrophobicContact CG-CG2 4.25Å; P236-I568 HydrophobicContact CB-CD1 3.69Å; P236-I568 HydrophobicContact CG-CD1 3.69Å; P236-I568 WeakPolarHBondContact O-CG2 3.42Å | ||
| 237 | K | 96.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 27.4 Ų | 27.4 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -107.2 | -28.4 | -177.2 | -47.1 | -50.5 | -172.1 | -145.1 | 0 | 113.2 | I227 E229 D232 T235 I568 M583 | I227-K237 PolarHBondContact O-N 2.89Å; E229-K237 VanDerWaalsContact CD-CE 3.46Å; E229-K237 HydrophobicContact CG-CG 4Å; E229-K237 WeakPolarHBondContact OE2-CE 3.44Å; E229-K237 IonicContact OE2-NZ 2.61Å; D232-K237 IonicContact OD2-NZ 3.43Å; D232-K237 PolarHBondContact OD2-NZ 3.42Å; T235-K237 WeakPolarHBondContact O-CD 3.2Å; T235-K237 PolarHBondContact O-NZ 2.84Å; K237-I568 VanDerWaalsContact C-CG2 3.49Å; K237-I568 VanDerWaalsContact O-CG2 3.31Å; K237-I568 WeakPolarHBondContact O-CG2 3.16Å; K237-M583 HydrophobicContact CB-CE 4.21Å; K237-M583 HydrophobicContact CG-CE 4.09Å |
| 238 | I | 97.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 136.8 | -177.2 | -53.1 | 175.3 | 0 | 0 | 0 | 108.5 | N226 I227 F240 R576 E579 F580 M583 | N226-I238 WeakPolarHBondContact CA-O 3.49Å; I227-I238 HydrophobicContact CB-CB 4.22Å; I227-I238 HydrophobicContact CG1-CB 4.31Å; I227-I238 PolarHBondContact N-O 3.11Å; I238-F240 HydrophobicContact CG2-CE2 3.85Å; I238-F240 HydrophobicContact CG2-CZ 3.91Å; I238-R576 HydrophobicContact CG2-CB 3.8Å; I238-R576 HydrophobicContact CG2-CG 4.13Å; I238-E579 HydrophobicContact CD1-CB 3.9Å; I238-F580 VanDerWaalsContact CD1-CA 3.45Å; I238-F580 HydrophobicContact CD1-CB 3.78Å; I238-F580 VanDerWaalsContact CD1-N 3.3Å; I238-M583 HydrophobicContact CD1-CG 4.33Å; I238-M583 HydrophobicContact CD1-SD 3.85Å |
| 239 | G | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L225 I568 R576 | L225-G239 WeakPolarHBondContact O-CA 3.36Å; G239-I568 PolarHBondContact N-O 3.49Å; G239-R576 WeakPolarHBondContact O-CD 3.34Å; G239-R576 PolarHBondContact O-NH1 3.14Å |
| 240 | F | 97 | Very high | 95.2 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112.7 | 173.5 | -57.1 | -80.4 | 0 | 0 | 0 | 108.6 | G224 L225 I238 F267 T573 R576 I577 | G224-F240 WeakPolarHBondContact CA-O 3.47Å; L225-F240 PolarHBondContact N-O 2.98Å; L225-F240 PolarHBondContact O-N 3.03Å; I238-F240 HydrophobicContact CG2-CE2 3.85Å; I238-F240 HydrophobicContact CG2-CZ 3.91Å; F240-F267 HydrophobicContact CD2-CE1 4.45Å; F240-F267 HydrophobicContact CE2-CD1 4.33Å; F240-F267 HydrophobicContact CE2-CD2 4.45Å; F240-F267 HydrophobicContact CE2-CE1 4.27Å; F240-F267 HydrophobicContact CE2-CE2 4.39Å; F240-F267 HydrophobicContact CE2-CG 4.45Å; F240-F267 HydrophobicContact CE2-CZ 4.32Å; F240-T573 HydrophobicContact CD1-CG2 3.9Å; F240-T573 HydrophobicContact CE1-CG2 3.85Å; F240-R576 HydrophobicContact CE1-CB 3.69Å; F240-R576 HydrophobicContact CZ-CB 3.86Å; F240-I577 HydrophobicContact CE1-CG1 3.96Å; F240-I577 HydrophobicContact CZ-CG1 3.84Å |
| 241 | P | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 155.2 | 174.2 | 30 | -34.7 | 0 | 0 | 0 | 110.5 | S243 E244 | P241-S243 PolarHBondContact O-N 2.83Å; P241-E244 HydrophobicContact CG-CB 4.14Å; P241-E244 HydrophobicContact CG-CG 3.84Å; P241-E244 PolarHBondContact O-N 2.72Å |
| 242 | W | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -57.3 | -33.4 | 175.7 | -70.4 | 122.6 | 0 | 0 | 0 | 112.4 | V220 D221 G224 L225 E244 I245 I248 C284 N287 H288 Y291 | V220-W242 HydrophobicContact CG1-CH2 4.1Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; D221-W242 WeakPolarHBondContact O-CZ2 3.36Å; D221-W242 PolarHBondContact O-NE1 2.92Å; G224-W242 WeakPolarHBondContact O-CZ2 3.12Å; L225-W242 HydrophobicContact CD1-CH2 4.43Å; L225-W242 HydrophobicContact CD1-CZ3 4.36Å; L225-W242 HydrophobicContact CD2-CH2 3.5Å; L225-W242 VanDerWaalsContact CD2-CH2 3.5Å; L225-W242 HydrophobicContact CD2-CZ2 4.08Å; L225-W242 HydrophobicContact CD2-CZ3 4.22Å; L225-W242 HydrophobicContact CG-CH2 3.79Å; L225-W242 HydrophobicContact CG-CZ2 4.42Å; L225-W242 HydrophobicContact CG-CZ3 4.04Å; W242-E244 PolarHBondContact O-N 2.63Å; W242-E244 VanDerWaalsContact O-N 3.08Å; W242-I245 HydrophobicContact CE3-CD1 3.8Å; W242-I245 HydrophobicContact CZ3-CD1 3.88Å; W242-I245 PolarHBondContact O-N 3.48Å; W242-I248 HydrophobicContact CZ3-CD1 4.05Å; W242-C284 HydrophobicContact CH2-CB 3.64Å; W242-C284 HydrophobicContact CZ3-CB 3.95Å; W242-N287 HydrophobicContact CZ2-CB 3.68Å; W242-H288 HydrophobicContact CD2-CB 4.08Å; W242-H288 HydrophobicContact CE3-CB 3.84Å; W242-H288 HydrophobicContact CG-CB 4.48Å; W242-H288 HydrophobicContact CZ3-CB 4.41Å; W242-Y291 HydrophobicContact CB-CD1 3.42Å; W242-Y291 VanDerWaalsContact CB-CD1 3.42Å; W242-Y291 HydrophobicContact CB-CD2 3.84Å; W242-Y291 HydrophobicContact CB-CE1 3.63Å; W242-Y291 HydrophobicContact CB-CE2 4.01Å; W242-Y291 HydrophobicContact CB-CG 3.54Å; W242-Y291 AromaticContact CD1-CD2 3.62Å; W242-Y291 AromaticContact CD1-CG 3.73Å; W242-Y291 HydrophobicContact CG-CD1 4.32Å; W242-Y291 HydrophobicContact CG-CD2 4.13Å; W242-Y291 AromaticContact CG-CG 3.97Å; W242-Y291 HydrophobicContact CG-CG 3.97Å |
| 243 | S | 92.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 17% | 0.168 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -69 | 7.5 | 173 | 57.4 | 0 | 0 | 0 | 0 | 116.3 | P241 I260 Y291 | P241-S243 PolarHBondContact O-N 2.83Å; S243-I260 WeakPolarHBondContact O-CD1 3.35Å; S243-Y291 WeakPolarHBondContact CB-OH 3.31Å; S243-Y291 PolarHBondContact OG-OH 2.87Å |
| 244 | E | 94.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -108.6 | -5.1 | 166.5 | -82.2 | -178.4 | -152.8 | 0 | 0 | 113.4 | P241 W242 P259 I260 T573 R576 | P241-E244 HydrophobicContact CG-CB 4.14Å; P241-E244 HydrophobicContact CG-CG 3.84Å; P241-E244 PolarHBondContact O-N 2.72Å; W242-E244 PolarHBondContact O-N 2.63Å; W242-E244 VanDerWaalsContact O-N 3.08Å; E244-P259 CarbonylContact O-C 3.51Å; E244-P259 WeakPolarHBondContact O-CA 3.27Å; E244-I260 PolarHBondContact O-N 3.13Å; E244-T573 PolarHBondContact OE2-OG1 3.03Å; E244-R576 IonicContact OE1-CZ 2.74Å; E244-R576 IonicContact OE1-NH1 3.27Å; E244-R576 PolarHBondContact OE1-NH1 3.12Å; E244-R576 IonicContact OE1-NH2 3.64Å; E244-R576 PolarHBondContact OE1-NH2 2.98Å; E244-R576 IonicContact OE2-CZ 3.57Å; E244-R576 IonicContact OE2-NH1 3.66Å; E244-R576 PolarHBondContact OE2-NH1 3.32Å; E244-R576 IonicContact OE2-NH2 2.81Å; E244-R576 PolarHBondContact OE2-NH2 3.13Å; E244-R576 VanDerWaalsContact OE2-NH2 3.15Å |
| 245 | I | 94.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.7 | -168.4 | -53.1 | 177.7 | 0 | 0 | 0 | 111.5 | L225 W242 I248 I257 L500 | L225-I245 HydrophobicContact CD1-CD1 3.68Å; L225-I245 HydrophobicContact CG-CD1 4.08Å; W242-I245 HydrophobicContact CE3-CD1 3.8Å; W242-I245 HydrophobicContact CZ3-CD1 3.88Å; W242-I245 PolarHBondContact O-N 3.48Å; I245-I248 HydrophobicContact CG2-CD1 4.04Å; I245-I248 HydrophobicContact CG2-CG1 3.78Å; I245-I257 HydrophobicContact CD1-CG2 4.25Å; I245-I257 HydrophobicContact CG1-CG2 4.27Å; I245-I257 HydrophobicContact CG2-CG2 3.53Å; I245-L500 HydrophobicContact CB-CD1 4.28Å; I245-L500 HydrophobicContact CG2-CD1 3.77Å |
| 246 | R | 91.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 32.4 Ų | 32.4 | 34% | 0.34 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -41.9 | -177 | 175 | -173.4 | -66 | -74.8 | -3.3 | 113.1 | K258 P259 I260 L500 | R246-K258 WeakPolarHBondContact CB-O 3.33Å; R246-K258 PolarHBondContact N-O 2.75Å; R246-P259 WeakPolarHBondContact CB-O 3.1Å; R246-P259 PolarHBondContact NE-O 3.08Å; R246-I260 HydrophobicContact CB-CG1 3.93Å; R246-I260 PolarHBondContact NH2-O 2.89Å; R246-L500 WeakPolarHBondContact O-CB 3.4Å; R246-L500 PolarHBondContact O-N 2.94Å |
| 247 | N | 92.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 143.3 | -174 | 164.9 | -101.1 | 0 | 0 | 0 | 110.1 | K258 S497 A498 | N247-K258 HydrophobicContact CB-CB 4.16Å; N247-K258 HydrophobicContact CB-CG 4.38Å; N247-K258 PolarHBondContact N-O 3.06Å; N247-K258 PolarHBondContact O-N 3.38Å; N247-S497 PolarHBondContact ND2-OG 3.21Å; N247-A498 VanDerWaalsContact CA-O 3.28Å; N247-A498 WeakPolarHBondContact CA-O 3.41Å; N247-A498 VanDerWaalsContact ND2-C 3.28Å; N247-A498 PolarHBondContact ND2-O 2.89Å |
| 248 | I | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.3 | 176.6 | -58.4 | 179.4 | 0 | 0 | 0 | 109 | W242 I245 F255 I257 L281 C284 S497 A498 L500 | W242-I248 HydrophobicContact CZ3-CD1 4.05Å; I245-I248 HydrophobicContact CG2-CD1 4.04Å; I245-I248 HydrophobicContact CG2-CG1 3.78Å; I248-F255 HydrophobicContact CG2-CD1 4.28Å; I248-F255 HydrophobicContact CG2-CE1 3.24Å; I248-F255 HydrophobicContact CG2-CZ 3.4Å; I248-F255 VanDerWaalsContact CG2-CZ 3.4Å; I248-I257 HydrophobicContact CG1-CG1 4.38Å; I248-I257 HydrophobicContact CG1-CG2 4.3Å; I248-I257 HydrophobicContact CG2-CG1 4.28Å; I248-L281 HydrophobicContact CB-CD1 3.88Å; I248-L281 HydrophobicContact CG2-CD1 3.5Å; I248-L281 VanDerWaalsContact CG2-CD1 3.5Å; I248-C284 HydrophobicContact CD1-CB 3.54Å; I248-S497 WeakPolarHBondContact O-CA 3.16Å; I248-A498 PolarHBondContact N-O 3.5Å; I248-A498 PolarHBondContact O-N 3.31Å; I248-L500 HydrophobicContact CD1-CD1 3.84Å; I248-L500 HydrophobicContact CG1-CD1 3.96Å |
| 249 | S | 93.2 | Very high | 94.5 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 17% | 0.168 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 165 | 179.1 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | V256 | S249-V256 PolarHBondContact N-O 2.95Å; S249-V256 PolarHBondContact O-N 2.96Å; S249-V256 VanDerWaalsContact O-O 3.12Å |
| 250 | F | 93.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.9 | 169.8 | 67.5 | -98.1 | 0 | 0 | 0 | 111.3 | K254 F255 L274 N277 K278 L281 A496 | F250-K254 CarbonylContact C-O 3.58Å; F250-K254 VanDerWaalsContact CA-O 3.24Å; F250-K254 WeakPolarHBondContact CA-O 3.39Å; F250-K254 WeakPolarHBondContact CB-O 3.46Å; F250-F255 HydrophobicContact CB-CD2 3.57Å; F250-F255 HydrophobicContact CB-CE2 4.07Å; F250-F255 HydrophobicContact CB-CG 4.24Å; F250-F255 HydrophobicContact CD1-CD2 4.35Å; F250-F255 HydrophobicContact CD1-CE2 4.02Å; F250-F255 HydrophobicContact CG-CD2 4.31Å; F250-F255 HydrophobicContact CG-CE2 4.44Å; F250-L274 HydrophobicContact CD2-CD1 4.06Å; F250-L274 HydrophobicContact CE2-CD1 3.55Å; F250-N277 HydrophobicContact CB-CB 4.09Å; F250-N277 HydrophobicContact CD1-CB 4.01Å; F250-N277 HydrophobicContact CD2-CB 3.88Å; F250-N277 HydrophobicContact CE1-CB 4.5Å; F250-N277 HydrophobicContact CE2-CB 4.42Å; F250-N277 HydrophobicContact CG-CB 3.7Å; F250-K278 HydrophobicContact CE1-CG 4.11Å; F250-K278 HydrophobicContact CE2-CG 4.15Å; F250-K278 HydrophobicContact CZ-CD 4.41Å; F250-K278 HydrophobicContact CZ-CG 3.46Å; F250-K278 VanDerWaalsContact CZ-CG 3.46Å; F250-L281 HydrophobicContact CD1-CB 4.22Å; F250-L281 HydrophobicContact CD1-CD2 4.12Å; F250-L281 HydrophobicContact CE1-CB 4.13Å; F250-L281 HydrophobicContact CE1-CD2 3.72Å; F250-A496 HydrophobicContact CE1-CB 4.13Å; F250-A496 HydrophobicContact CZ-CB 4.39Å |
| 251 | N | 91.4 | Very high | 93.9 | Very high | 107 Ų | 107 | 38.9 Ų | 38.9 | 57% | 0.572 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 122.8 | 169.7 | -169.2 | -27.2 | 0 | 0 | 0 | 109.2 | K253 K254 | N251-K253 PolarHBondContact O-N 2.66Å; N251-K254 PolarHBondContact N-O 2.68Å; N251-K254 PolarHBondContact O-N 2.89Å |
| 252 | D | 90.8 | Very high | 93.6 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.2 | -103.1 | -163 | 179.9 | 43.6 | 0 | 0 | 0 | 113 | N277 | D252-N277 PolarHBondContact O-ND2 2.95Š|
| 253 | K | 93.6 | Very high | 93.5 | Very high | 104 Ų | 104 | 56.3 Ų | 56.3 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -25.2 | -179.6 | -70.9 | 162.2 | -171.6 | 167.7 | 0 | 113.5 | N251 Y270 A271 N277 | N251-K253 PolarHBondContact O-N 2.66Å; K253-Y270 WeakPolarHBondContact O-CA 3.28Å; K253-A271 WeakPolarHBondContact CB-O 3.39Å; K253-A271 WeakPolarHBondContact CG-O 3.5Å; K253-A271 PolarHBondContact O-N 2.81Å; K253-N277 VanDerWaalsContact C-ND2 3.26Å; K253-N277 WeakPolarHBondContact CA-ND2 3.04Å; K253-N277 PolarHBondContact O-ND2 3.19Å |
| 254 | K | 95.3 | Very high | 93.5 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 122.3 | -177.5 | -174 | -169.6 | 180 | -166.1 | 0 | 109.7 | F250 N251 V256 V268 Y270 | F250-K254 CarbonylContact C-O 3.58Å; F250-K254 VanDerWaalsContact CA-O 3.24Å; F250-K254 WeakPolarHBondContact CA-O 3.39Å; F250-K254 WeakPolarHBondContact CB-O 3.46Å; N251-K254 PolarHBondContact N-O 2.68Å; N251-K254 PolarHBondContact O-N 2.89Å; K254-V256 HydrophobicContact CD-CG2 4.12Å; K254-V256 HydrophobicContact CG-CG2 4.13Å; K254-V268 HydrophobicContact CD-CG1 4.37Å; K254-V268 HydrophobicContact CG-CG1 3.94Å; K254-Y270 HydrophobicContact CB-CD1 4.04Å; K254-Y270 HydrophobicContact CB-CE1 3.84Å; K254-Y270 HydrophobicContact CD-CE1 4.49Å; K254-Y270 HydrophobicContact CG-CD1 4.32Å; K254-Y270 HydrophobicContact CG-CE1 3.79Å |
| 255 | F | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 141.6 | 172.1 | -150.6 | -91.2 | 0 | 0 | 0 | 109.1 | I248 F250 I257 V268 F269 N277 I280 L281 | I248-F255 HydrophobicContact CG2-CD1 4.28Å; I248-F255 HydrophobicContact CG2-CE1 3.24Å; I248-F255 HydrophobicContact CG2-CZ 3.4Å; I248-F255 VanDerWaalsContact CG2-CZ 3.4Å; F250-F255 HydrophobicContact CB-CD2 3.57Å; F250-F255 HydrophobicContact CB-CE2 4.07Å; F250-F255 HydrophobicContact CB-CG 4.24Å; F250-F255 HydrophobicContact CD1-CD2 4.35Å; F250-F255 HydrophobicContact CD1-CE2 4.02Å; F250-F255 HydrophobicContact CG-CD2 4.31Å; F250-F255 HydrophobicContact CG-CE2 4.44Å; F255-I257 HydrophobicContact CD1-CD1 4.07Å; F255-I257 HydrophobicContact CD1-CG1 3.78Å; F255-I257 HydrophobicContact CE1-CD1 3.83Å; F255-I257 HydrophobicContact CE1-CG1 3.8Å; F255-V268 WeakPolarHBondContact O-CA 3.5Å; F255-F269 HydrophobicContact CB-CD1 4.26Å; F255-F269 HydrophobicContact CB-CD2 3.75Å; F255-F269 HydrophobicContact CB-CE1 3.96Å; F255-F269 HydrophobicContact CB-CE2 3.39Å; F255-F269 HydrophobicContact CB-CG 4.17Å; F255-F269 HydrophobicContact CB-CZ 3.51Å; F255-F269 HydrophobicContact CD1-CD1 4.38Å; F255-F269 AromaticContact CD1-CE1 3.41Å; F255-F269 HydrophobicContact CD1-CE1 3.41Å; F255-F269 VanDerWaalsContact CD1-CE1 3.41Å; F255-F269 AromaticContact CD1-CE2 3.93Å; F255-F269 HydrophobicContact CD1-CE2 3.93Å; F255-F269 AromaticContact CD1-CZ 3.13Å; F255-F269 HydrophobicContact CD1-CZ 3.13Å; F255-F269 HydrophobicContact CD2-CE2 4.24Å; F255-F269 HydrophobicContact CD2-CZ 4.11Å; F255-F269 HydrophobicContact CE1-CE1 4.14Å; F255-F269 AromaticContact CE1-CZ 3.75Å; F255-F269 HydrophobicContact CE1-CZ 3.75Å; F255-F269 HydrophobicContact CG-CD2 4.45Å; F255-F269 AromaticContact CG-CE1 3.95Å; F255-F269 HydrophobicContact CG-CE1 3.95Å; F255-F269 AromaticContact CG-CE2 3.62Å; F255-F269 HydrophobicContact CG-CE2 3.62Å; F255-F269 AromaticContact CG-CZ 3.33Å; F255-F269 HydrophobicContact CG-CZ 3.33Å; F255-F269 HydrophobicContact CZ-CZ 4.5Å; F255-F269 PolarHBondContact N-O 3.36Å; F255-F269 PolarHBondContact O-N 3.18Å; F255-N277 HydrophobicContact CD2-CB 4.06Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.22Å; F255-N277 HydrophobicContact CE2-CB 4.36Å; F255-I280 HydrophobicContact CE1-CG2 4.04Å; F255-I280 HydrophobicContact CE2-CB 3.97Å; F255-I280 HydrophobicContact CE2-CG2 3.76Å; F255-I280 HydrophobicContact CZ-CB 4.16Å; F255-I280 HydrophobicContact CZ-CG2 3.47Å; F255-I280 VanDerWaalsContact CZ-CG2 3.47Å; F255-L281 HydrophobicContact CE2-CB 4.27Å; F255-L281 HydrophobicContact CZ-CB 4.24Å |
| 256 | V | 97.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 122.3 | -175.3 | -176 | 0 | 0 | 0 | 0 | 109.3 | S249 K254 K258 D266 V268 | S249-V256 PolarHBondContact N-O 2.95Å; S249-V256 PolarHBondContact O-N 2.96Å; S249-V256 VanDerWaalsContact O-O 3.12Å; K254-V256 HydrophobicContact CD-CG2 4.12Å; K254-V256 HydrophobicContact CG-CG2 4.13Å; V256-K258 HydrophobicContact CG1-CG 4.42Å; V256-D266 HydrophobicContact CG1-CB 4.01Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.46Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.27Å |
| 257 | I | 96.8 | Very high | 94 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.4 | 179.1 | -57.5 | -164.4 | 0 | 0 | 0 | 107.7 | L225 I245 I248 F255 F267 F269 | L225-I257 HydrophobicContact CD1-CD1 3.27Å; I245-I257 HydrophobicContact CD1-CG2 4.25Å; I245-I257 HydrophobicContact CG1-CG2 4.27Å; I245-I257 HydrophobicContact CG2-CG2 3.53Å; I248-I257 HydrophobicContact CG1-CG1 4.38Å; I248-I257 HydrophobicContact CG1-CG2 4.3Å; I248-I257 HydrophobicContact CG2-CG1 4.28Å; F255-I257 HydrophobicContact CD1-CD1 4.07Å; F255-I257 HydrophobicContact CD1-CG1 3.78Å; F255-I257 HydrophobicContact CE1-CD1 3.83Å; F255-I257 HydrophobicContact CE1-CG1 3.8Å; I257-F267 HydrophobicContact CB-CB 4.18Å; I257-F267 HydrophobicContact CB-CD1 3.91Å; I257-F267 HydrophobicContact CD1-CD1 3.94Å; I257-F267 HydrophobicContact CD1-CE1 4.13Å; I257-F267 HydrophobicContact CG1-CD1 4.16Å; I257-F267 HydrophobicContact CG2-CD1 4.38Å; I257-F267 PolarHBondContact N-O 2.8Å; I257-F267 PolarHBondContact O-N 3.38Å; I257-F269 HydrophobicContact CD1-CE1 3.99Å; I257-F269 HydrophobicContact CG1-CE1 4.4Å |
| 258 | K | 95.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 56 Ų | 56 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.8 | -179.5 | -52.9 | -161.6 | 171.3 | 178.3 | 0 | 109.8 | R246 N247 V256 D266 | R246-K258 WeakPolarHBondContact CB-O 3.33Å; R246-K258 PolarHBondContact N-O 2.75Å; N247-K258 HydrophobicContact CB-CB 4.16Å; N247-K258 HydrophobicContact CB-CG 4.38Å; N247-K258 PolarHBondContact N-O 3.06Å; N247-K258 PolarHBondContact O-N 3.38Å; V256-K258 HydrophobicContact CG1-CG 4.42Å; K258-D266 WeakPolarHBondContact CE-OD2 3.42Å; K258-D266 WeakPolarHBondContact CG-OD1 3.46Å |
| 259 | P | 94.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 164.8 | 178.4 | 30.5 | -34.8 | 0 | 0 | 0 | 112.7 | E244 R246 D261 A264 T573 | E244-P259 CarbonylContact O-C 3.51Å; E244-P259 WeakPolarHBondContact O-CA 3.27Å; R246-P259 WeakPolarHBondContact CB-O 3.1Å; R246-P259 PolarHBondContact NE-O 3.08Å; P259-D261 WeakPolarHBondContact CG-O 3.48Å; P259-A264 HydrophobicContact CB-CB 4.24Å; P259-A264 HydrophobicContact CG-CB 3.69Å; P259-T573 HydrophobicContact CB-CG2 3.94Å |
| 260 | I | 91.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 59 Ų | 59 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70.9 | -38.4 | 170.6 | -66.8 | 173.9 | 0 | 0 | 0 | 110.5 | S243 E244 R246 K262 N502 | S243-I260 WeakPolarHBondContact O-CD1 3.35Å; E244-I260 PolarHBondContact O-N 3.13Å; R246-I260 HydrophobicContact CB-CG1 3.93Å; R246-I260 PolarHBondContact NH2-O 2.89Å; I260-K262 PolarHBondContact O-N 3.07Å; I260-K262 VanDerWaalsContact O-N 3.14Å; I260-N502 WeakPolarHBondContact CD1-OD1 3.34Å |
| 261 | D | 90.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -67.6 | 110 | 170.6 | 178.6 | 18.1 | 0 | 0 | 0 | 110.9 | P259 K263 A264 | P259-D261 WeakPolarHBondContact CG-O 3.48Å; D261-K263 PolarHBondContact O-N 3.18Å; D261-K263 VanDerWaalsContact O-N 3.14Å; D261-K263 WeakPolarHBondContact OD1-CB 3.34Å; D261-K263 PolarHBondContact OD1-N 2.86Å; D261-A264 HydrophobicContact CB-CB 4.17Å; D261-A264 PolarHBondContact O-N 3Å; D261-A264 VanDerWaalsContact O-N 3.12Å; D261-A264 PolarHBondContact OD2-N 3.34Å |
| 262 | K | 90.4 | Very high | 94.7 | Very high | 181 Ų | 181 | 56.3 Ų | 56.3 | 79% | 0.787 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8.5 | 177.5 | -63.3 | -176 | 178.5 | -178.6 | 0 | 113.8 | I260 | I260-K262 PolarHBondContact O-N 3.07Å; I260-K262 VanDerWaalsContact O-N 3.14Å |
| 263 | K | 91.9 | Very high | 94.6 | Very high | 186 Ų | 186 | 58.9 Ų | 58.9 | 81% | 0.809 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -18.5 | 174 | -58.7 | 176.7 | -179.4 | 176.1 | 0 | 112.9 | D261 | D261-K263 PolarHBondContact O-N 3.18Å; D261-K263 VanDerWaalsContact O-N 3.14Å; D261-K263 WeakPolarHBondContact OD1-CB 3.34Å; D261-K263 PolarHBondContact OD1-N 2.86Å |
| 264 | A | 93.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -78.9 | 144.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P259 D261 K574 | P259-A264 HydrophobicContact CB-CB 4.24Å; P259-A264 HydrophobicContact CG-CB 3.69Å; D261-A264 HydrophobicContact CB-CB 4.17Å; D261-A264 PolarHBondContact O-N 3Å; D261-A264 VanDerWaalsContact O-N 3.12Å; D261-A264 PolarHBondContact OD2-N 3.34Å; A264-K574 HydrophobicContact CB-CB 4.24Å |
| 265 | P | 95.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 161.9 | 176.4 | 30.2 | -35.6 | 0 | 0 | 0 | 111.7 | F267 K574 I577 | P265-F267 PolarHBondContact O-N 3.11Å; P265-K574 HydrophobicContact CG-CG 4.29Å; P265-I577 HydrophobicContact CG-CB 4.24Å; P265-I577 HydrophobicContact CG-CD1 4.14Å; P265-I577 HydrophobicContact CG-CG2 3.94Å; P265-I577 WeakPolarHBondContact O-CD1 3.42Å |
| 266 | D | 96.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 128.5 | 167.5 | -76.7 | 0.9 | 0 | 0 | 0 | 110.1 | V256 K258 V268 | V256-D266 HydrophobicContact CG1-CB 4.01Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.46Å; K258-D266 WeakPolarHBondContact CE-OD2 3.42Å; K258-D266 WeakPolarHBondContact CG-OD1 3.46Å; D266-V268 HydrophobicContact CB-CG2 4.05Å |
| 267 | F | 97.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.4 | 168.5 | 172.3 | -131.1 | 0 | 0 | 0 | 108.7 | I227 F240 I257 P265 F269 I577 F580 | I227-F267 HydrophobicContact CD1-CE1 4.43Å; I227-F267 HydrophobicContact CD1-CZ 3.74Å; I227-F267 HydrophobicContact CG1-CZ 4.39Å; F240-F267 HydrophobicContact CD2-CE1 4.45Å; F240-F267 HydrophobicContact CE2-CD1 4.33Å; F240-F267 HydrophobicContact CE2-CD2 4.45Å; F240-F267 HydrophobicContact CE2-CE1 4.27Å; F240-F267 HydrophobicContact CE2-CE2 4.39Å; F240-F267 HydrophobicContact CE2-CG 4.45Å; F240-F267 HydrophobicContact CE2-CZ 4.32Å; I257-F267 HydrophobicContact CB-CB 4.18Å; I257-F267 HydrophobicContact CB-CD1 3.91Å; I257-F267 HydrophobicContact CD1-CD1 3.94Å; I257-F267 HydrophobicContact CD1-CE1 4.13Å; I257-F267 HydrophobicContact CG1-CD1 4.16Å; I257-F267 HydrophobicContact CG2-CD1 4.38Å; I257-F267 PolarHBondContact N-O 2.8Å; I257-F267 PolarHBondContact O-N 3.38Å; P265-F267 PolarHBondContact O-N 3.11Å; F267-F269 HydrophobicContact CD1-CD1 4.48Å; F267-F269 AromaticContact CE1-CD1 3.78Å; F267-F269 HydrophobicContact CE1-CD1 3.78Å; F267-F269 AromaticContact CE1-CE1 3.96Å; F267-F269 HydrophobicContact CE1-CE1 3.96Å; F267-F269 HydrophobicContact CE2-CD1 4.42Å; F267-F269 AromaticContact CZ-CD1 3.72Å; F267-F269 HydrophobicContact CZ-CD1 3.72Å; F267-F269 HydrophobicContact CZ-CE1 4.31Å; F267-I577 HydrophobicContact CB-CD1 3.77Å; F267-I577 HydrophobicContact CB-CG1 3.94Å; F267-I577 HydrophobicContact CD2-CG1 4.32Å; F267-I577 HydrophobicContact CG-CG1 4.44Å; F267-F580 HydrophobicContact CD2-CD1 4.09Å; F267-F580 HydrophobicContact CD2-CE1 4.31Å; F267-F580 HydrophobicContact CD2-CG 4.4Å; F267-F580 HydrophobicContact CE2-CB 4.44Å; F267-F580 AromaticContact CE2-CD1 3.6Å; F267-F580 HydrophobicContact CE2-CD1 3.6Å; F267-F580 AromaticContact CE2-CD2 3.83Å; F267-F580 HydrophobicContact CE2-CD2 3.83Å; F267-F580 AromaticContact CE2-CE1 3.65Å; F267-F580 HydrophobicContact CE2-CE1 3.65Å; F267-F580 AromaticContact CE2-CE2 3.87Å; F267-F580 HydrophobicContact CE2-CE2 3.87Å; F267-F580 AromaticContact CE2-CG 3.68Å; F267-F580 HydrophobicContact CE2-CG 3.68Å; F267-F580 AromaticContact CE2-CZ 3.78Å; F267-F580 HydrophobicContact CE2-CZ 3.78Å; F267-F580 HydrophobicContact CZ-CD2 4.39Å; F267-F580 HydrophobicContact CZ-CE2 4.22Å; F267-F580 HydrophobicContact CZ-CZ 4.32Å |
| 268 | V | 97.6 | Very high | 93 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.6 | -169.6 | 176 | 0 | 0 | 0 | 0 | 110.7 | K254 F255 V256 D266 Y270 F580 | K254-V268 HydrophobicContact CD-CG1 4.37Å; K254-V268 HydrophobicContact CG-CG1 3.94Å; F255-V268 WeakPolarHBondContact O-CA 3.5Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.27Å; D266-V268 HydrophobicContact CB-CG2 4.05Å; V268-Y270 HydrophobicContact CG1-CE2 4.29Å; V268-F580 WeakPolarHBondContact O-CE1 3.29Å |
| 269 | F | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 172.5 | 173.6 | 64.4 | -97.5 | 0 | 0 | 0 | 111.2 | I208 K209 L218 F255 I257 F267 I280 F580 | I208-F269 HydrophobicContact CB-CB 4.47Å; I208-F269 HydrophobicContact CB-CD2 3.83Å; I208-F269 HydrophobicContact CB-CE2 4.48Å; I208-F269 HydrophobicContact CB-CG 4.4Å; I208-F269 HydrophobicContact CD1-CB 3.94Å; I208-F269 HydrophobicContact CD1-CD1 4.5Å; I208-F269 HydrophobicContact CD1-CD2 4.2Å; I208-F269 HydrophobicContact CD1-CG 3.98Å; I208-F269 HydrophobicContact CG2-CD2 3.47Å; I208-F269 VanDerWaalsContact CG2-CD2 3.47Å; I208-F269 HydrophobicContact CG2-CE2 3.63Å; I208-F269 HydrophobicContact CG2-CG 4.37Å; K209-F269 CarbonylContact O-C 3.57Å; K209-F269 WeakPolarHBondContact O-CA 3.44Å; K209-F269 WeakPolarHBondContact O-CB 3.3Å; L218-F269 HydrophobicContact CD2-CE1 4.07Å; L218-F269 HydrophobicContact CD2-CE2 4.05Å; L218-F269 HydrophobicContact CD2-CZ 3.51Å; F255-F269 HydrophobicContact CB-CD1 4.26Å; F255-F269 HydrophobicContact CB-CD2 3.75Å; F255-F269 HydrophobicContact CB-CE1 3.96Å; F255-F269 HydrophobicContact CB-CE2 3.39Å; F255-F269 HydrophobicContact CB-CG 4.17Å; F255-F269 HydrophobicContact CB-CZ 3.51Å; F255-F269 HydrophobicContact CD1-CD1 4.38Å; F255-F269 AromaticContact CD1-CE1 3.41Å; F255-F269 HydrophobicContact CD1-CE1 3.41Å; F255-F269 VanDerWaalsContact CD1-CE1 3.41Å; F255-F269 AromaticContact CD1-CE2 3.93Å; F255-F269 HydrophobicContact CD1-CE2 3.93Å; F255-F269 AromaticContact CD1-CZ 3.13Å; F255-F269 HydrophobicContact CD1-CZ 3.13Å; F255-F269 HydrophobicContact CD2-CE2 4.24Å; F255-F269 HydrophobicContact CD2-CZ 4.11Å; F255-F269 HydrophobicContact CE1-CE1 4.14Å; F255-F269 AromaticContact CE1-CZ 3.75Å; F255-F269 HydrophobicContact CE1-CZ 3.75Å; F255-F269 HydrophobicContact CG-CD2 4.45Å; F255-F269 AromaticContact CG-CE1 3.95Å; F255-F269 HydrophobicContact CG-CE1 3.95Å; F255-F269 AromaticContact CG-CE2 3.62Å; F255-F269 HydrophobicContact CG-CE2 3.62Å; F255-F269 AromaticContact CG-CZ 3.33Å; F255-F269 HydrophobicContact CG-CZ 3.33Å; F255-F269 HydrophobicContact CZ-CZ 4.5Å; F255-F269 PolarHBondContact N-O 3.36Å; F255-F269 PolarHBondContact O-N 3.18Å; I257-F269 HydrophobicContact CD1-CE1 3.99Å; I257-F269 HydrophobicContact CG1-CE1 4.4Å; F267-F269 HydrophobicContact CD1-CD1 4.48Å; F267-F269 AromaticContact CE1-CD1 3.78Å; F267-F269 HydrophobicContact CE1-CD1 3.78Å; F267-F269 AromaticContact CE1-CE1 3.96Å; F267-F269 HydrophobicContact CE1-CE1 3.96Å; F267-F269 HydrophobicContact CE2-CD1 4.42Å; F267-F269 AromaticContact CZ-CD1 3.72Å; F267-F269 HydrophobicContact CZ-CD1 3.72Å; F267-F269 HydrophobicContact CZ-CE1 4.31Å; F269-I280 HydrophobicContact CE2-CD1 4.11Å; F269-I280 HydrophobicContact CZ-CD1 4.5Å; F269-I280 HydrophobicContact CZ-CG2 4.43Å; F269-F580 HydrophobicContact CB-CE1 4.47Å; F269-F580 HydrophobicContact CB-CZ 3.88Å |
| 270 | Y | 97.5 | Very high | 92.9 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.9 | -177.4 | -56.5 | -92.7 | 0 | 0 | 0 | 110.3 | I208 K209 K211 K253 K254 V268 | I208-Y270 CarbonylContact C-O 3.58Å; I208-Y270 WeakPolarHBondContact CA-O 3.28Å; K209-Y270 PolarHBondContact N-O 3.49Å; K209-Y270 PolarHBondContact O-N 3.31Å; K211-Y270 HydrophobicContact CG-CE2 4.12Å; K253-Y270 WeakPolarHBondContact O-CA 3.28Å; K254-Y270 HydrophobicContact CB-CD1 4.04Å; K254-Y270 HydrophobicContact CB-CE1 3.84Å; K254-Y270 HydrophobicContact CD-CE1 4.49Å; K254-Y270 HydrophobicContact CG-CD1 4.32Å; K254-Y270 HydrophobicContact CG-CE1 3.79Å; V268-Y270 HydrophobicContact CG1-CE2 4.29Å |
| 271 | A | 95.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | trans | -98.7 | 149.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K253 R273 I276 N277 I280 | K253-A271 WeakPolarHBondContact CB-O 3.39Å; K253-A271 WeakPolarHBondContact CG-O 3.5Å; K253-A271 PolarHBondContact O-N 2.81Å; A271-R273 VanDerWaalsContact C-N 3.29Å; A271-R273 PolarHBondContact O-N 3.14Å; A271-I276 HydrophobicContact CB-CB 4.37Å; A271-I276 HydrophobicContact CB-CG2 3.9Å; A271-N277 WeakPolarHBondContact CB-OD1 3.23Å; A271-I280 HydrophobicContact CB-CD1 4.4Å | ||
| 272 | P | 91.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -71.2 | -17 | -170.5 | 24.5 | -32.6 | 0 | 0 | 0 | 114.9 | E207 I276 | E207-P272 WeakPolarHBondContact O-CD 3.36Å; P272-I276 HydrophobicContact CG-CD1 3.91Å |
| 273 | R | 89.2 | Confident | 93.3 | Very high | 136 Ų | 136 | 52 Ų | 52 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | trans | -144.1 | 136.1 | -174.8 | -51.6 | -177.4 | -172.7 | -172.4 | 3.2 | 112.2 | Y55 A271 R275 I276 N277 | Y55-R273 PolarHBondContact OH-NH1 3.09Å; A271-R273 VanDerWaalsContact C-N 3.29Å; A271-R273 PolarHBondContact O-N 3.14Å; R273-R275 PolarHBondContact O-N 2.95Å; R273-R275 VanDerWaalsContact O-N 3.08Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.29Å; R273-I276 HydrophobicContact CG-CD1 4.2Å; R273-I276 WeakPolarHBondContact O-CA 3.26Å; R273-I276 VanDerWaalsContact O-CB 3.32Å; R273-I276 WeakPolarHBondContact O-CB 3.5Å; R273-I276 PolarHBondContact O-N 2.87Å; R273-N277 PolarHBondContact O-N 2.82Å | ||
| 274 | L | 87.4 | Confident | 93.5 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -49.9 | -34.9 | 174.2 | 176.4 | 62.2 | 0 | 0 | 0 | 114.3 | F250 I276 N277 K278 | F250-L274 HydrophobicContact CD2-CD1 4.06Å; F250-L274 HydrophobicContact CE2-CD1 3.55Å; L274-I276 VanDerWaalsContact C-N 3.28Å; L274-I276 PolarHBondContact O-N 2.99Å; L274-N277 PolarHBondContact O-N 3.28Å; L274-K278 PolarHBondContact O-N 3.35Å; L274-K278 VanDerWaalsContact O-N 3.1Å |
| 275 | R | 86.4 | Confident | 93.5 | Very high | 92 Ų | 92 | 44.8 Ų | 44.8 | 35% | 0.347 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 174.8 | -168.6 | -158.5 | -169.6 | 102.3 | 17.9 | 112.1 | D51 Y55 T57 R273 K278 R279 | D51-R275 IonicContact OD2-CZ 3.65Å; D51-R275 IonicContact OD2-NH1 3.22Å; D51-R275 PolarHBondContact OD2-NH1 2.68Å; D51-R275 IonicContact OD2-NH2 3.29Å; D51-R275 PolarHBondContact OD2-NH2 3.46Å; Y55-R275 VanDerWaalsContact CD2-NH1 3.34Å; T57-R275 PolarHBondContact OG1-NH2 3.4Å; R273-R275 PolarHBondContact O-N 2.95Å; R273-R275 VanDerWaalsContact O-N 3.08Å; R275-K278 PolarHBondContact O-N 2.97Å; R275-R279 PolarHBondContact O-N 3.18Å; R275-R279 VanDerWaalsContact O-N 3.11Å |
| 276 | I | 90.4 | Very high | 93.4 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 18% | 0.179 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.1 | -47.5 | -178.9 | -68.1 | 166.8 | 0 | 0 | 0 | 109.2 | F206 A271 P272 R273 L274 K278 R279 I280 | F206-I276 HydrophobicContact CD1-CG2 3.58Å; F206-I276 HydrophobicContact CE1-CG2 4.05Å; A271-I276 HydrophobicContact CB-CB 4.37Å; A271-I276 HydrophobicContact CB-CG2 3.9Å; P272-I276 HydrophobicContact CG-CD1 3.91Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.29Å; R273-I276 HydrophobicContact CG-CD1 4.2Å; R273-I276 WeakPolarHBondContact O-CA 3.26Å; R273-I276 VanDerWaalsContact O-CB 3.32Å; R273-I276 WeakPolarHBondContact O-CB 3.5Å; R273-I276 PolarHBondContact O-N 2.87Å; L274-I276 VanDerWaalsContact C-N 3.28Å; L274-I276 PolarHBondContact O-N 2.99Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 3.12Å; I276-R279 CarbonylContact O-C 3.53Å; I276-R279 WeakPolarHBondContact O-CA 3.46Å; I276-R279 WeakPolarHBondContact O-CB 3.19Å; I276-R279 PolarHBondContact O-N 2.96Å; I276-I280 HydrophobicContact CG2-CD1 3.72Å; I276-I280 HydrophobicContact CG2-CG1 4.13Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 2.81Å |
| 277 | N | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.2 | -40.9 | 174.5 | -75.5 | -18.4 | 0 | 0 | 0 | 112.7 | F250 D252 K253 F255 A271 R273 L274 R279 I280 L281 | F250-N277 HydrophobicContact CB-CB 4.09Å; F250-N277 HydrophobicContact CD1-CB 4.01Å; F250-N277 HydrophobicContact CD2-CB 3.88Å; F250-N277 HydrophobicContact CE1-CB 4.5Å; F250-N277 HydrophobicContact CE2-CB 4.42Å; F250-N277 HydrophobicContact CG-CB 3.7Å; D252-N277 PolarHBondContact O-ND2 2.95Å; K253-N277 VanDerWaalsContact C-ND2 3.26Å; K253-N277 WeakPolarHBondContact CA-ND2 3.04Å; K253-N277 PolarHBondContact O-ND2 3.19Å; F255-N277 HydrophobicContact CD2-CB 4.06Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.22Å; F255-N277 HydrophobicContact CE2-CB 4.36Å; A271-N277 WeakPolarHBondContact CB-OD1 3.23Å; R273-N277 PolarHBondContact O-N 2.82Å; L274-N277 PolarHBondContact O-N 3.28Å; N277-R279 VanDerWaalsContact C-N 3.3Å; N277-R279 PolarHBondContact O-N 3.28Å; N277-I280 PolarHBondContact O-N 2.84Å; N277-L281 WeakPolarHBondContact O-CB 3.33Å; N277-L281 PolarHBondContact O-N 3.43Å |
| 278 | K | 90.8 | Very high | 93.2 | Very high | 113 Ų | 113 | 39.7 Ų | 39.7 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64 | -28.4 | 172.9 | -74.1 | 177.7 | 178.4 | -178.7 | 0 | 114 | F250 L274 R275 I276 A282 | F250-K278 HydrophobicContact CE1-CG 4.11Å; F250-K278 HydrophobicContact CE2-CG 4.15Å; F250-K278 HydrophobicContact CZ-CD 4.41Å; F250-K278 HydrophobicContact CZ-CG 3.46Å; F250-K278 VanDerWaalsContact CZ-CG 3.46Å; L274-K278 PolarHBondContact O-N 3.35Å; L274-K278 VanDerWaalsContact O-N 3.1Å; R275-K278 PolarHBondContact O-N 2.97Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 3.12Å; K278-A282 WeakPolarHBondContact O-CB 3.25Å; K278-A282 PolarHBondContact O-N 2.83Å |
| 279 | R | 91.5 | Very high | 92.9 | Very high | 111 Ų | 111 | 45.9 Ų | 45.9 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -82.5 | -39.9 | 174.9 | -164.4 | 176.7 | 77.9 | -167.9 | 1.3 | 112.2 | F206 R275 I276 N277 L283 | F206-R279 HydrophobicContact CE1-CB 4.2Å; F206-R279 HydrophobicContact CE1-CG 4.31Å; F206-R279 HydrophobicContact CZ-CB 4.35Å; F206-R279 HydrophobicContact CZ-CG 4.14Å; R275-R279 PolarHBondContact O-N 3.18Å; R275-R279 VanDerWaalsContact O-N 3.11Å; I276-R279 CarbonylContact O-C 3.53Å; I276-R279 WeakPolarHBondContact O-CA 3.46Å; I276-R279 WeakPolarHBondContact O-CB 3.19Å; I276-R279 PolarHBondContact O-N 2.96Å; N277-R279 VanDerWaalsContact C-N 3.3Å; N277-R279 PolarHBondContact O-N 3.28Å; R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 2.99Å |
| 280 | I | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -56.9 | 174.1 | -65.8 | 169.9 | 0 | 0 | 0 | 108.9 | F206 L218 V220 F255 F269 A271 I276 N277 A282 L283 C284 | F206-I280 HydrophobicContact CB-CD1 4.1Å; F206-I280 HydrophobicContact CB-CG1 4.31Å; F206-I280 HydrophobicContact CD1-CD1 4.02Å; F206-I280 HydrophobicContact CD1-CG1 3.58Å; F206-I280 HydrophobicContact CD2-CD1 4.45Å; F206-I280 HydrophobicContact CD2-CG1 3.77Å; F206-I280 HydrophobicContact CE1-CD1 4.46Å; F206-I280 HydrophobicContact CE1-CG1 3.57Å; F206-I280 HydrophobicContact CE2-CG1 3.81Å; F206-I280 HydrophobicContact CG-CD1 3.97Å; F206-I280 HydrophobicContact CG-CG1 3.64Å; F206-I280 HydrophobicContact CZ-CB 4.5Å; F206-I280 HydrophobicContact CZ-CG1 3.69Å; L218-I280 HydrophobicContact CD2-CD1 4.21Å; L218-I280 HydrophobicContact CD2-CG2 3.88Å; V220-I280 HydrophobicContact CG2-CG2 4.39Å; F255-I280 HydrophobicContact CE1-CG2 4.04Å; F255-I280 HydrophobicContact CE2-CB 3.97Å; F255-I280 HydrophobicContact CE2-CG2 3.76Å; F255-I280 HydrophobicContact CZ-CB 4.16Å; F255-I280 HydrophobicContact CZ-CG2 3.47Å; F255-I280 VanDerWaalsContact CZ-CG2 3.47Å; F269-I280 HydrophobicContact CE2-CD1 4.11Å; F269-I280 HydrophobicContact CZ-CD1 4.5Å; F269-I280 HydrophobicContact CZ-CG2 4.43Å; A271-I280 HydrophobicContact CB-CD1 4.4Å; I276-I280 HydrophobicContact CG2-CD1 3.72Å; I276-I280 HydrophobicContact CG2-CG1 4.13Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 2.81Å; N277-I280 PolarHBondContact O-N 2.84Å; I280-A282 VanDerWaalsContact C-N 3.34Å; I280-A282 PolarHBondContact O-N 2.98Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 PolarHBondContact O-N 3.3Å; I280-C284 PolarHBondContact O-N 3.47Å; I280-C284 PolarHBondContact O-SG 2.88Å |
| 281 | L | 94.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | -178.8 | -179.6 | 71.6 | 0 | 0 | 0 | 112.6 | I248 F250 F255 N277 L283 C284 M285 A496 A498 | I248-L281 HydrophobicContact CB-CD1 3.88Å; I248-L281 HydrophobicContact CG2-CD1 3.5Å; I248-L281 VanDerWaalsContact CG2-CD1 3.5Å; F250-L281 HydrophobicContact CD1-CB 4.22Å; F250-L281 HydrophobicContact CD1-CD2 4.12Å; F250-L281 HydrophobicContact CE1-CB 4.13Å; F250-L281 HydrophobicContact CE1-CD2 3.72Å; F255-L281 HydrophobicContact CE2-CB 4.27Å; F255-L281 HydrophobicContact CZ-CB 4.24Å; N277-L281 WeakPolarHBondContact O-CB 3.33Å; N277-L281 PolarHBondContact O-N 3.43Å; L281-L283 PolarHBondContact O-N 3.41Å; L281-L283 VanDerWaalsContact O-N 3.17Å; L281-C284 PolarHBondContact O-N 3.4Å; L281-C284 VanDerWaalsContact O-N 3.15Å; L281-M285 HydrophobicContact CD1-CG 3.95Å; L281-M285 HydrophobicContact CD1-SD 4.14Å; L281-M285 HydrophobicContact CD2-SD 4.18Å; L281-M285 HydrophobicContact CG-CG 4.1Å; L281-M285 HydrophobicContact CG-SD 3.83Å; L281-M285 WeakPolarHBondContact O-CB 3.46Å; L281-M285 WeakPolarHBondContact O-CG 3.26Å; L281-M285 PolarHBondContact O-N 2.94Å; L281-A496 HydrophobicContact CD2-CB 3.21Å; L281-A496 WeakPolarHBondContact CD2-O 3.11Å; L281-A498 HydrophobicContact CD1-CB 4.41Å |
| 282 | A | 91.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.7 | -6.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K83 K278 I280 | K83-A282 PolarHBondContact NZ-O 3.28Å; K278-A282 WeakPolarHBondContact O-CB 3.25Å; K278-A282 PolarHBondContact O-N 2.83Å; I280-A282 VanDerWaalsContact C-N 3.34Å; I280-A282 PolarHBondContact O-N 2.98Å |
| 283 | L | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -98.2 | -42 | 165.2 | -71 | 169.6 | 0 | 0 | 0 | 111.3 | K83 F84 N204 F206 V220 R279 I280 L281 M285 G286 N287 | K83-L283 HydrophobicContact CG-CD2 4.1Å; F84-L283 HydrophobicContact CE1-CD2 4.13Å; N204-L283 HydrophobicContact CB-CD1 3.78Å; N204-L283 WeakPolarHBondContact OD1-CD1 3.32Å; F206-L283 HydrophobicContact CE2-CD1 3.87Å; F206-L283 HydrophobicContact CZ-CD1 3.77Å; V220-L283 HydrophobicContact CG1-CB 4.06Å; R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 2.99Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 PolarHBondContact O-N 3.3Å; L281-L283 PolarHBondContact O-N 3.41Å; L281-L283 VanDerWaalsContact O-N 3.17Å; L283-M285 PolarHBondContact O-N 3.33Å; L283-G286 PolarHBondContact O-N 2.96Å; L283-N287 WeakPolarHBondContact O-CB 3.44Å; L283-N287 PolarHBondContact O-N 3.02Å; L283-N287 PolarHBondContact O-ND2 3.27Å |
| 284 | C | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | W242 I248 I280 L281 H288 | W242-C284 HydrophobicContact CH2-CB 3.64Å; W242-C284 HydrophobicContact CZ3-CB 3.95Å; I248-C284 HydrophobicContact CD1-CB 3.54Å; I280-C284 PolarHBondContact O-N 3.47Å; I280-C284 PolarHBondContact O-SG 2.88Å; L281-C284 PolarHBondContact O-N 3.4Å; L281-C284 VanDerWaalsContact O-N 3.15Å; C284-H288 VanDerWaalsContact O-CB 3.24Å; C284-H288 WeakPolarHBondContact O-CB 3.43Å; C284-H288 PolarHBondContact O-N 3.36Å |
| 285 | M | 92.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 22% | 0.222 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.5 | -53.8 | 177 | -70.6 | 176.4 | 72.4 | 0 | 0 | 111.3 | L281 L283 H288 E289 N492 A498 | L281-M285 HydrophobicContact CD1-CG 3.95Å; L281-M285 HydrophobicContact CD1-SD 4.14Å; L281-M285 HydrophobicContact CD2-SD 4.18Å; L281-M285 HydrophobicContact CG-CG 4.1Å; L281-M285 HydrophobicContact CG-SD 3.83Å; L281-M285 WeakPolarHBondContact O-CB 3.46Å; L281-M285 WeakPolarHBondContact O-CG 3.26Å; L281-M285 PolarHBondContact O-N 2.94Å; L283-M285 PolarHBondContact O-N 3.33Å; M285-H288 PolarHBondContact O-N 3.36Å; M285-E289 VanDerWaalsContact O-CB 3.31Å; M285-E289 WeakPolarHBondContact O-CB 3.44Å; M285-E289 PolarHBondContact O-N 2.88Å; M285-N492 WeakPolarHBondContact CE-ND2 3.4Å; M285-A498 HydrophobicContact CE-CB 3.81Å; M285-A498 HydrophobicContact CG-CB 3.76Å; M285-A498 HydrophobicContact SD-CB 3.84Å |
| 286 | G | 92.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.2 | -32.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L283 E289 L290 | L283-G286 PolarHBondContact O-N 2.96Å; G286-E289 PolarHBondContact O-N 2.61Å; G286-L290 WeakPolarHBondContact O-CB 3.24Å; G286-L290 VanDerWaalsContact O-CG 3.3Å; G286-L290 WeakPolarHBondContact O-CG 3.25Å; G286-L290 PolarHBondContact O-N 2.77Å |
| 287 | N | 95.9 | Very high | 92 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 171.4 | -77.1 | -69 | 0 | 0 | 0 | 111 | D221 W242 L283 L290 Y291 | D221-N287 WeakPolarHBondContact O-CB 3.47Å; W242-N287 HydrophobicContact CZ2-CB 3.68Å; L283-N287 WeakPolarHBondContact O-CB 3.44Å; L283-N287 PolarHBondContact O-N 3.02Å; L283-N287 PolarHBondContact O-ND2 3.27Å; N287-L290 PolarHBondContact O-N 3.24Å; N287-Y291 WeakPolarHBondContact O-CB 3.16Å; N287-Y291 PolarHBondContact O-N 2.75Å |
| 288 | H | 94.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 173.2 | 176.2 | -80.1 | 0 | 0 | 0 | 112 | W242 C284 M285 L290 Y291 M292 L500 | W242-H288 HydrophobicContact CD2-CB 4.08Å; W242-H288 HydrophobicContact CE3-CB 3.84Å; W242-H288 HydrophobicContact CG-CB 4.48Å; W242-H288 HydrophobicContact CZ3-CB 4.41Å; C284-H288 VanDerWaalsContact O-CB 3.24Å; C284-H288 WeakPolarHBondContact O-CB 3.43Å; C284-H288 PolarHBondContact O-N 3.36Å; M285-H288 PolarHBondContact O-N 3.36Å; H288-L290 VanDerWaalsContact C-N 3.35Å; H288-L290 PolarHBondContact O-N 2.63Å; H288-Y291 WeakPolarHBondContact O-CB 3.47Å; H288-Y291 PolarHBondContact O-N 2.86Å; H288-M292 WeakPolarHBondContact CE1-CG 3.35Å; H288-M292 VanDerWaalsContact NE2-CE 3.32Å; H288-M292 WeakPolarHBondContact NE2-CE 3.26Å; H288-M292 WeakPolarHBondContact O-CG 3.38Å; H288-M292 PolarHBondContact O-N 2.79Å; H288-L500 HydrophobicContact CB-CD1 4.21Å |
| 289 | E | 91.9 | Very high | 91.8 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -57.4 | -46.2 | 178.2 | -172.4 | -174.7 | 162.2 | 0 | 0 | 111.8 | M285 G286 M292 R293 | M285-E289 VanDerWaalsContact O-CB 3.31Å; M285-E289 WeakPolarHBondContact O-CB 3.44Å; M285-E289 PolarHBondContact O-N 2.88Å; G286-E289 PolarHBondContact O-N 2.61Å; E289-M292 PolarHBondContact O-N 3.04Å; E289-R293 PolarHBondContact O-N 3.37Å |
| 290 | L | 93.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 175.3 | -67.7 | 173.9 | 0 | 0 | 0 | 112.6 | W43 F84 G286 N287 H288 M292 R293 R294 | W43-L290 HydrophobicContact CB-CD2 4.08Å; W43-L290 HydrophobicContact CG-CD2 4.2Å; F84-L290 HydrophobicContact CB-CD1 3.61Å; F84-L290 HydrophobicContact CD2-CD1 4.19Å; F84-L290 HydrophobicContact CG-CD1 3.89Å; G286-L290 WeakPolarHBondContact O-CB 3.24Å; G286-L290 VanDerWaalsContact O-CG 3.3Å; G286-L290 WeakPolarHBondContact O-CG 3.25Å; G286-L290 PolarHBondContact O-N 2.77Å; N287-L290 PolarHBondContact O-N 3.24Å; H288-L290 VanDerWaalsContact C-N 3.35Å; H288-L290 PolarHBondContact O-N 2.63Å; L290-M292 PolarHBondContact O-N 2.71Å; L290-R293 PolarHBondContact O-N 2.69Å; L290-R293 VanDerWaalsContact O-N 3.12Å; L290-R294 WeakPolarHBondContact O-CD 3.42Å; L290-R294 VanDerWaalsContact O-CG 3.31Å; L290-R294 WeakPolarHBondContact O-CG 3.49Å; L290-R294 PolarHBondContact O-N 2.87Å |
| 291 | Y | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -37.5 | 173 | 175.8 | -84.2 | 0 | 0 | 0 | 111.9 | E87 W242 S243 N287 H288 R295 E511 | E87-Y291 WeakPolarHBondContact OE1-CA 3.35Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.48Å; W242-Y291 HydrophobicContact CB-CD1 3.42Å; W242-Y291 VanDerWaalsContact CB-CD1 3.42Å; W242-Y291 HydrophobicContact CB-CD2 3.84Å; W242-Y291 HydrophobicContact CB-CE1 3.63Å; W242-Y291 HydrophobicContact CB-CE2 4.01Å; W242-Y291 HydrophobicContact CB-CG 3.54Å; W242-Y291 AromaticContact CD1-CD2 3.62Å; W242-Y291 AromaticContact CD1-CG 3.73Å; W242-Y291 HydrophobicContact CG-CD1 4.32Å; W242-Y291 HydrophobicContact CG-CD2 4.13Å; W242-Y291 AromaticContact CG-CG 3.97Å; W242-Y291 HydrophobicContact CG-CG 3.97Å; S243-Y291 WeakPolarHBondContact CB-OH 3.31Å; S243-Y291 PolarHBondContact OG-OH 2.87Å; N287-Y291 WeakPolarHBondContact O-CB 3.16Å; N287-Y291 PolarHBondContact O-N 2.75Å; H288-Y291 WeakPolarHBondContact O-CB 3.47Å; H288-Y291 PolarHBondContact O-N 2.86Å; Y291-R295 VanDerWaalsContact CD2-CZ 3.48Å; Y291-R295 VanDerWaalsContact CE2-NH2 3.29Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.45Å; Y291-R295 PolarHBondContact O-NH1 3.43Å; Y291-E511 WeakPolarHBondContact CE2-OE1 3.38Å; Y291-E511 PolarHBondContact OH-OE1 2.96Å |
| 292 | M | 89.6 | Confident | 91.5 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.7 | -32.2 | 175 | -68.2 | -51.2 | -155.9 | 0 | 0 | 113.8 | H288 E289 L290 R294 R295 N502 V505 | H288-M292 WeakPolarHBondContact CE1-CG 3.35Å; H288-M292 VanDerWaalsContact NE2-CE 3.32Å; H288-M292 WeakPolarHBondContact NE2-CE 3.26Å; H288-M292 WeakPolarHBondContact O-CG 3.38Å; H288-M292 PolarHBondContact O-N 2.79Å; E289-M292 PolarHBondContact O-N 3.04Å; L290-M292 PolarHBondContact O-N 2.71Å; M292-R294 VanDerWaalsContact C-N 3.32Å; M292-R295 PolarHBondContact O-N 3.29Å; M292-N502 HydrophobicContact CE-CB 4.2Å; M292-N502 VanDerWaalsContact CE-CG 3.46Å; M292-N502 WeakPolarHBondContact CE-OD1 3.41Å; M292-V505 HydrophobicContact CE-CG2 3.95Å; M292-V505 HydrophobicContact SD-CG1 4.46Å; M292-V505 HydrophobicContact SD-CG2 3.51Å; M292-V505 VanDerWaalsContact SD-CG2 3.51Å |
| 293 | R | 89.3 | Confident | 91.5 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 172.1 | -172 | 175.8 | -179.5 | 178.9 | -0.4 | 111.1 | W43 E289 L290 R295 K296 T299 | W43-R293 VanDerWaalsContact CE3-NH1 3.25Å; E289-R293 PolarHBondContact O-N 3.37Å; L290-R293 PolarHBondContact O-N 2.69Å; L290-R293 VanDerWaalsContact O-N 3.12Å; R293-R295 VanDerWaalsContact C-N 3.27Å; R293-R295 PolarHBondContact O-N 3.46Å; R293-K296 PolarHBondContact O-N 3.45Å; R293-T299 PolarHBondContact NH2-OG1 3.21Å |
| 294 | R | 89.6 | Confident | 91.5 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.3 | 177.3 | -67.6 | 159 | -175.1 | 140.8 | 0.4 | 114.6 | F85 E87 E92 L290 M292 K296 | F85-R294 PolarHBondContact O-NH2 2.92Å; E87-R294 WeakPolarHBondContact OE1-CD 3.15Å; E87-R294 IonicContact OE1-CZ 3.11Å; E87-R294 IonicContact OE1-NE 2.61Å; E87-R294 IonicContact OE1-NH1 2.74Å; E87-R294 PolarHBondContact OE1-NH1 2.84Å; E92-R294 IonicContact OE1-CZ 2.83Å; E92-R294 IonicContact OE1-NE 2.73Å; E92-R294 PolarHBondContact OE1-NE 2.9Å; E92-R294 IonicContact OE1-NH2 3.44Å; E92-R294 IonicContact OE2-CZ 2.85Å; E92-R294 VanDerWaalsContact OE2-CZ 3.24Å; E92-R294 IonicContact OE2-NE 2.6Å; E92-R294 PolarHBondContact OE2-NE 3.42Å; E92-R294 IonicContact OE2-NH2 3.68Å; E92-R294 PolarHBondContact OE2-NH2 3.08Å; L290-R294 WeakPolarHBondContact O-CD 3.42Å; L290-R294 VanDerWaalsContact O-CG 3.31Å; L290-R294 WeakPolarHBondContact O-CG 3.49Å; L290-R294 PolarHBondContact O-N 2.87Å; M292-R294 VanDerWaalsContact C-N 3.32Å; R294-K296 VanDerWaalsContact C-N 3.33Å |
| 295 | R | 88.8 | Confident | 91.3 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 17.7 | -179.8 | -69.8 | 163.4 | -177.3 | 71.6 | 7 | 112.7 | E87 Y291 M292 R293 V505 M506 E511 | E87-R295 IonicContact OE1-CZ 3.59Å; E87-R295 IonicContact OE1-NH1 3.21Å; E87-R295 PolarHBondContact OE1-NH1 3.25Å; E87-R295 IonicContact OE1-NH2 3.59Å; E87-R295 IonicContact OE2-CZ 2.78Å; E87-R295 IonicContact OE2-NH1 3.58Å; E87-R295 PolarHBondContact OE2-NH1 3.04Å; E87-R295 IonicContact OE2-NH2 3.88Å; E87-R295 PolarHBondContact OE2-NH2 3.02Å; Y291-R295 VanDerWaalsContact CD2-CZ 3.48Å; Y291-R295 VanDerWaalsContact CE2-NH2 3.29Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.45Å; Y291-R295 PolarHBondContact O-NH1 3.43Å; M292-R295 PolarHBondContact O-N 3.29Å; R293-R295 VanDerWaalsContact C-N 3.27Å; R293-R295 PolarHBondContact O-N 3.46Å; R295-V505 HydrophobicContact CB-CG1 4.12Å; R295-M506 PolarHBondContact O-N 3.5Å; R295-E511 IonicContact CZ-OE2 2.68Å; R295-E511 IonicContact NE-OE2 3.81Å; R295-E511 VanDerWaalsContact NH2-CD 3.3Å; R295-E511 IonicContact NH2-OE1 2.68Å; R295-E511 IonicContact NH2-OE2 3.78Å; R295-E511 PolarHBondContact NH2-OE2 3.49Å |
| 296 | K | 87.2 | Confident | 91.3 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 37% | 0.365 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -124.9 | 157.4 | 170.6 | -68.2 | 175.3 | -179.8 | -175.1 | 0 | 108.2 | R293 R294 E503 | R293-K296 PolarHBondContact O-N 3.45Å; R294-K296 VanDerWaalsContact C-N 3.33Å; K296-E503 WeakPolarHBondContact CE-O 3.5Å; K296-E503 PolarHBondContact NZ-O 3.02Å |
| 297 | P | 86.1 | Confident | 91.3 | Very high | 116 Ų | 116 | 56.4 Ų | 56.4 | 75% | 0.753 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -58 | 145.9 | 174.5 | -23.6 | 34.5 | 0 | 0 | 0 | 112 | T299 | P297-T299 PolarHBondContact O-N 2.88Š|
| 298 | D | 88.8 | Confident | 91.2 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 135 | 174.5 | -81.4 | -30.3 | 0 | 0 | 0 | 110.8 | V302 Q303 K306 | D298-V302 HydrophobicContact CB-CB 4.25Å; D298-V302 HydrophobicContact CB-CG1 3.93Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.46Å; D298-Q303 HydrophobicContact CB-CG 3.61Å; D298-Q303 PolarHBondContact O-NE2 3.46Å; D298-K306 IonicContact OD1-NZ 2.72Å; D298-K306 PolarHBondContact OD1-NZ 2.84Å; D298-K306 WeakPolarHBondContact OD2-CD 3.36Å; D298-K306 IonicContact OD2-NZ 3.67Å; D298-K306 PolarHBondContact OD2-NZ 3.46Å |
| 299 | T | 90.8 | Very high | 91 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 153.2 | 172.3 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | R293 P297 E301 V302 Q303 | R293-T299 PolarHBondContact NH2-OG1 3.21Å; P297-T299 PolarHBondContact O-N 2.88Å; T299-E301 PolarHBondContact O-N 3.35Å; T299-E301 VanDerWaalsContact O-N 3.14Å; T299-V302 WeakPolarHBondContact O-CA 3.44Å; T299-V302 PolarHBondContact O-N 3.23Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.37Å; T299-Q303 PolarHBondContact O-N 3.19Å |
| 300 | I | 92 | Very high | 90.9 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 65% | 0.646 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -50.9 | -43.6 | -178.4 | -62.2 | 174.4 | 0 | 0 | 0 | 111.3 | V302 Q303 Q304 | I300-V302 PolarHBondContact O-N 2.93Å; I300-Q303 PolarHBondContact O-N 2.88Å; I300-Q304 HydrophobicContact CG2-CG 4.44Å; I300-Q304 WeakPolarHBondContact O-CG 3.47Å; I300-Q304 PolarHBondContact O-N 3.46Å |
| 301 | E | 90.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 69 Ų | 69 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 175.3 | -162.9 | -157.9 | -177.6 | 0 | 0 | 113 | R40 T299 Q303 Q304 M305 | R40-E301 IonicContact CZ-OE1 2.66Å; R40-E301 IonicContact NE-OE1 3.14Å; R40-E301 PolarHBondContact NE-OE1 3.4Å; R40-E301 IonicContact NH2-OE1 2.8Å; R40-E301 PolarHBondContact NH2-OE1 2.65Å; T299-E301 PolarHBondContact O-N 3.35Å; T299-E301 VanDerWaalsContact O-N 3.14Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 3.14Å; E301-Q304 WeakPolarHBondContact O-CB 3.29Å; E301-Q304 PolarHBondContact O-N 2.9Å; E301-M305 HydrophobicContact CG-SD 4.19Å; E301-M305 WeakPolarHBondContact O-CB 3.45Å; E301-M305 VanDerWaalsContact O-CG 3.27Å; E301-M305 WeakPolarHBondContact O-CG 3.39Å; E301-M305 PolarHBondContact O-N 2.61Å |
| 302 | V | 92.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | W43 I94 D298 T299 I300 M305 K306 | W43-V302 HydrophobicContact CH2-CG2 3.85Å; W43-V302 HydrophobicContact CZ2-CG2 4.36Å; I94-V302 HydrophobicContact CD1-CG1 3.99Å; D298-V302 HydrophobicContact CB-CB 4.25Å; D298-V302 HydrophobicContact CB-CG1 3.93Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.46Å; T299-V302 WeakPolarHBondContact O-CA 3.44Å; T299-V302 PolarHBondContact O-N 3.23Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.37Å; I300-V302 PolarHBondContact O-N 2.93Å; V302-M305 PolarHBondContact O-N 2.88Å; V302-K306 HydrophobicContact CG1-CD 4.12Å; V302-K306 HydrophobicContact CG1-CG 4.43Å; V302-K306 WeakPolarHBondContact O-CB 3.47Å; V302-K306 WeakPolarHBondContact O-CG 3.5Å; V302-K306 PolarHBondContact O-N 2.97Å |
| 303 | Q | 91.8 | Very high | 90.4 | Very high | 104 Ų | 104 | 76.5 Ų | 76.5 | 49% | 0.486 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 173.7 | -62.7 | -175.1 | 27.4 | 0 | 0 | 111.5 | D298 T299 I300 E301 K306 A307 | D298-Q303 HydrophobicContact CB-CG 3.61Å; D298-Q303 PolarHBondContact O-NE2 3.46Å; T299-Q303 PolarHBondContact O-N 3.19Å; I300-Q303 PolarHBondContact O-N 2.88Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 3.14Å; Q303-K306 PolarHBondContact O-N 3.03Å; Q303-A307 WeakPolarHBondContact O-CB 3.43Å; Q303-A307 PolarHBondContact O-N 3.19Å |
| 304 | Q | 93.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 77.1 Ų | 77.1 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 174 | -73.1 | 171.8 | -17.8 | 0 | 0 | 111.5 | I300 E301 K306 A307 Q308 | I300-Q304 HydrophobicContact CG2-CG 4.44Å; I300-Q304 WeakPolarHBondContact O-CG 3.47Å; I300-Q304 PolarHBondContact O-N 3.46Å; E301-Q304 WeakPolarHBondContact O-CB 3.29Å; E301-Q304 PolarHBondContact O-N 2.9Å; Q304-K306 PolarHBondContact O-N 3.29Å; Q304-A307 WeakPolarHBondContact O-CB 3.43Å; Q304-A307 PolarHBondContact O-N 3.42Å; Q304-A307 VanDerWaalsContact O-N 3.12Å; Q304-Q308 WeakPolarHBondContact O-CB 3.43Å; Q304-Q308 PolarHBondContact O-N 3.22Å |
| 305 | M | 92.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.025 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176 | -71.4 | 169.6 | 58.8 | 0 | 0 | 111.8 | R40 E41 W43 I94 Q95 E301 V302 A307 Q308 A309 | R40-M305 HydrophobicContact CB-CE 3.62Å; R40-M305 HydrophobicContact CB-SD 3.93Å; E41-M305 HydrophobicContact CG-CE 3.49Å; E41-M305 VanDerWaalsContact CG-CE 3.49Å; W43-M305 HydrophobicContact CH2-CE 4.17Å; W43-M305 HydrophobicContact CH2-SD 4.42Å; I94-M305 HydrophobicContact CD1-CB 4.32Å; I94-M305 HydrophobicContact CD1-CE 4.21Å; I94-M305 HydrophobicContact CG2-CB 4.04Å; I94-M305 WeakPolarHBondContact CG2-O 3.33Å; Q95-M305 HydrophobicContact CG-CE 4.4Å; E301-M305 HydrophobicContact CG-SD 4.19Å; E301-M305 WeakPolarHBondContact O-CB 3.45Å; E301-M305 VanDerWaalsContact O-CG 3.27Å; E301-M305 WeakPolarHBondContact O-CG 3.39Å; E301-M305 PolarHBondContact O-N 2.61Å; V302-M305 PolarHBondContact O-N 2.88Å; M305-A307 VanDerWaalsContact C-N 3.31Å; M305-A307 PolarHBondContact O-N 3.45Å; M305-Q308 PolarHBondContact O-N 3.33Å; M305-A309 WeakPolarHBondContact O-CB 3.13Å; M305-A309 PolarHBondContact O-N 2.84Å |
| 306 | K | 93.2 | Very high | 90.4 | Very high | 45 Ų | 45 | 82.5 Ų | 82.5 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -30.6 | 175 | -75.1 | 179.6 | -179.5 | 176.6 | 0 | 112.4 | I94 D298 V302 Q303 Q304 R310 | I94-K306 HydrophobicContact CD1-CG 3.83Å; I94-K306 HydrophobicContact CG1-CG 3.84Å; I94-K306 HydrophobicContact CG2-CG 4.16Å; D298-K306 IonicContact OD1-NZ 2.72Å; D298-K306 PolarHBondContact OD1-NZ 2.84Å; D298-K306 WeakPolarHBondContact OD2-CD 3.36Å; D298-K306 IonicContact OD2-NZ 3.67Å; D298-K306 PolarHBondContact OD2-NZ 3.46Å; V302-K306 HydrophobicContact CG1-CD 4.12Å; V302-K306 HydrophobicContact CG1-CG 4.43Å; V302-K306 WeakPolarHBondContact O-CB 3.47Å; V302-K306 WeakPolarHBondContact O-CG 3.5Å; V302-K306 PolarHBondContact O-N 2.97Å; Q303-K306 PolarHBondContact O-N 3.03Å; Q304-K306 PolarHBondContact O-N 3.29Å; K306-R310 VanDerWaalsContact O-CG 3.28Å; K306-R310 WeakPolarHBondContact O-CG 3.33Å; K306-R310 PolarHBondContact O-N 2.95Å; K306-R310 PolarHBondContact O-NE 3Å |
| 307 | A | 93.4 | Very high | 90.3 | Very high | 43 Ų | 43 | 82.9 Ų | 82.9 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.7 | -52.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q303 Q304 M305 A309 R310 E311 | Q303-A307 WeakPolarHBondContact O-CB 3.43Å; Q303-A307 PolarHBondContact O-N 3.19Å; Q304-A307 WeakPolarHBondContact O-CB 3.43Å; Q304-A307 PolarHBondContact O-N 3.42Å; Q304-A307 VanDerWaalsContact O-N 3.12Å; M305-A307 VanDerWaalsContact C-N 3.31Å; M305-A307 PolarHBondContact O-N 3.45Å; A307-A309 PolarHBondContact O-N 3.35Å; A307-R310 PolarHBondContact O-N 3.46Å; A307-R310 VanDerWaalsContact O-N 3.14Å; A307-E311 PolarHBondContact O-N 2.98Å |
| 308 | Q | 92.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 80.8 Ų | 80.8 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.7 | -49.8 | 176.6 | -179.5 | -178.9 | -7.3 | 0 | 0 | 111.6 | Q304 M305 R310 E311 E312 | Q304-Q308 WeakPolarHBondContact O-CB 3.43Å; Q304-Q308 PolarHBondContact O-N 3.22Å; M305-Q308 PolarHBondContact O-N 3.33Å; Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 3.11Å; Q308-E311 PolarHBondContact O-N 3.09Å; Q308-E311 VanDerWaalsContact O-N 3.11Å; Q308-E312 HydrophobicContact CG-CG 4.34Å; Q308-E312 VanDerWaalsContact CG-OE1 3.29Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.31Å; Q308-E312 PolarHBondContact NE2-OE1 2.84Å; Q308-E312 WeakPolarHBondContact O-CB 3.4Å; Q308-E312 WeakPolarHBondContact O-CG 3.45Å; Q308-E312 PolarHBondContact O-N 2.97Å |
| 309 | A | 90.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 82.3 Ų | 82.3 | 21% | 0.207 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.5 | -31.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | I94 M305 A307 K313 | I94-A309 HydrophobicContact CG2-CB 3.73Å; I94-A309 WeakPolarHBondContact O-CB 3.44Å; M305-A309 WeakPolarHBondContact O-CB 3.13Å; M305-A309 PolarHBondContact O-N 2.84Å; A307-A309 PolarHBondContact O-N 3.35Å; A309-K313 VanDerWaalsContact O-CB 3.23Å; A309-K313 WeakPolarHBondContact O-CB 3.38Å; A309-K313 PolarHBondContact O-N 3.49Å |
| 310 | R | 90 | Very high | 90.2 | Very high | 160 Ų | 160 | 82.8 Ų | 82.8 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.9 | -39.9 | 172.4 | -76 | -177 | -58.9 | -109.4 | -0.5 | 112 | K306 A307 Q308 H314 | K306-R310 VanDerWaalsContact O-CG 3.28Å; K306-R310 WeakPolarHBondContact O-CG 3.33Å; K306-R310 PolarHBondContact O-N 2.95Å; K306-R310 PolarHBondContact O-NE 3Å; A307-R310 PolarHBondContact O-N 3.46Å; A307-R310 VanDerWaalsContact O-N 3.14Å; Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 3.11Å; R310-H314 VanDerWaalsContact O-CB 3.3Å; R310-H314 WeakPolarHBondContact O-CB 3.48Å; R310-H314 PolarHBondContact O-N 2.94Å |
| 311 | E | 91.4 | Very high | 90 | Very high | 147 Ų | 147 | 79.6 Ų | 79.6 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.1 | -47.9 | 177.8 | -173.3 | 168.9 | -168.1 | 0 | 0 | 111.3 | A307 Q308 K313 H314 Q315 | A307-E311 PolarHBondContact O-N 2.98Å; Q308-E311 PolarHBondContact O-N 3.09Å; Q308-E311 VanDerWaalsContact O-N 3.11Å; E311-K313 PolarHBondContact O-N 3.31Å; E311-H314 PolarHBondContact O-N 3.38Å; E311-Q315 WeakPolarHBondContact O-CB 3.37Å; E311-Q315 PolarHBondContact O-N 3.22Å |
| 312 | E | 89.3 | Confident | 90 | Very high | 87 Ų | 87 | 82.4 Ų | 82.4 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 173.7 | -72 | 174.6 | -175.7 | 0 | 0 | 111.6 | Q308 Q315 K316 | Q308-E312 HydrophobicContact CG-CG 4.34Å; Q308-E312 VanDerWaalsContact CG-OE1 3.29Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.31Å; Q308-E312 PolarHBondContact NE2-OE1 2.84Å; Q308-E312 WeakPolarHBondContact O-CB 3.4Å; Q308-E312 WeakPolarHBondContact O-CG 3.45Å; Q308-E312 PolarHBondContact O-N 2.97Å; E312-Q315 PolarHBondContact O-N 2.88Å; E312-K316 WeakPolarHBondContact O-CG 3.15Å; E312-K316 PolarHBondContact O-N 3.37Å |
| 313 | K | 86.3 | Confident | 89.7 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.4 | -173.9 | 166 | -172.3 | 166.6 | 0 | 112.5 | D186 A309 E311 Q317 | D186-K313 IonicContact OD1-NZ 3.83Å; D186-K313 PolarHBondContact OD1-NZ 3.41Å; D186-K313 IonicContact OD2-NZ 2.89Å; A309-K313 VanDerWaalsContact O-CB 3.23Å; A309-K313 WeakPolarHBondContact O-CB 3.38Å; A309-K313 PolarHBondContact O-N 3.49Å; E311-K313 PolarHBondContact O-N 3.31Å; K313-Q317 VanDerWaalsContact O-CG 3.32Å; K313-Q317 WeakPolarHBondContact O-CG 3.43Å; K313-Q317 PolarHBondContact O-N 2.81Å |
| 314 | H | 89.3 | Confident | 89.5 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 177.1 | -172.6 | 53.5 | 0 | 0 | 0 | 111.6 | R310 E311 Q317 L318 | R310-H314 VanDerWaalsContact O-CB 3.3Å; R310-H314 WeakPolarHBondContact O-CB 3.48Å; R310-H314 PolarHBondContact O-N 2.94Å; E311-H314 PolarHBondContact O-N 3.38Å; H314-Q317 WeakPolarHBondContact O-CB 3.37Å; H314-Q317 PolarHBondContact O-N 2.83Å; H314-L318 WeakPolarHBondContact O-CG 3.28Å; H314-L318 PolarHBondContact O-N 3.18Å |
| 315 | Q | 90.4 | Very high | 89.2 | Confident | 112 Ų | 112 | 84.2 Ų | 84.2 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 176.7 | -176 | 58.5 | 27.2 | 0 | 0 | 111.6 | E311 E312 Q317 L318 E319 | E311-Q315 WeakPolarHBondContact O-CB 3.37Å; E311-Q315 PolarHBondContact O-N 3.22Å; E312-Q315 PolarHBondContact O-N 2.88Å; Q315-Q317 VanDerWaalsContact C-N 3.31Å; Q315-Q317 PolarHBondContact O-N 2.87Å; Q315-L318 PolarHBondContact O-N 3.48Å; Q315-E319 WeakPolarHBondContact O-CB 3.47Å; Q315-E319 PolarHBondContact O-N 3.1Å |
| 316 | K | 86.9 | Confident | 89.1 | Confident | 81 Ų | 81 | 88 Ų | 88 | 35% | 0.352 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 173.2 | -72.2 | 179.9 | -177.7 | -173.3 | 0 | 112.7 | E96 E312 R320 | E96-K316 IonicContact OE1-NZ 2.6Å; E96-K316 PolarHBondContact OE1-NZ 2.96Å; E96-K316 IonicContact OE2-NZ 3.05Å; E96-K316 PolarHBondContact OE2-NZ 3.42Å; E312-K316 WeakPolarHBondContact O-CG 3.15Å; E312-K316 PolarHBondContact O-N 3.37Å; K316-R320 VanDerWaalsContact O-CB 3.3Å; K316-R320 WeakPolarHBondContact O-CB 3.3Å; K316-R320 PolarHBondContact O-N 3.04Å |
| 317 | Q | 86.2 | Confident | 88.8 | Confident | 92 Ų | 92 | 93 Ų | 93 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 175 | -75 | 175.2 | -10.6 | 0 | 0 | 112.2 | K313 H314 Q315 A321 | K313-Q317 VanDerWaalsContact O-CG 3.32Å; K313-Q317 WeakPolarHBondContact O-CG 3.43Å; K313-Q317 PolarHBondContact O-N 2.81Å; H314-Q317 WeakPolarHBondContact O-CB 3.37Å; H314-Q317 PolarHBondContact O-N 2.83Å; Q315-Q317 VanDerWaalsContact C-N 3.31Å; Q315-Q317 PolarHBondContact O-N 2.87Å; Q317-A321 VanDerWaalsContact O-CB 3.29Å; Q317-A321 WeakPolarHBondContact O-CB 3.33Å; Q317-A321 PolarHBondContact O-N 3.19Å |
| 318 | L | 89.6 | Confident | 88.5 | Confident | 71 Ų | 71 | 96.4 Ų | 96.4 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 175.5 | -72.3 | 173.5 | 0 | 0 | 0 | 111.9 | H314 Q315 R320 A321 Q322 | H314-L318 WeakPolarHBondContact O-CG 3.28Å; H314-L318 PolarHBondContact O-N 3.18Å; Q315-L318 PolarHBondContact O-N 3.48Å; L318-R320 PolarHBondContact O-N 2.88Å; L318-A321 PolarHBondContact O-N 3.13Å; L318-Q322 VanDerWaalsContact O-CG 3.3Å; L318-Q322 WeakPolarHBondContact O-CG 3.4Å; L318-Q322 PolarHBondContact O-N 3.07Å |
| 319 | E | 89.1 | Confident | 88.5 | Confident | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.3 | -48 | 176 | -176.9 | -179.4 | -179.5 | 0 | 0 | 111 | Q315 A321 Q322 L323 | Q315-E319 WeakPolarHBondContact O-CB 3.47Å; Q315-E319 PolarHBondContact O-N 3.1Å; E319-A321 PolarHBondContact O-N 3.03Å; E319-Q322 WeakPolarHBondContact O-CB 3.43Å; E319-Q322 PolarHBondContact O-N 3.24Å; E319-L323 HydrophobicContact CG-CD1 4.27Å; E319-L323 WeakPolarHBondContact O-CG 3.26Å; E319-L323 PolarHBondContact O-N 3.22Å |
| 320 | R | 83.5 | Confident | 88.3 | Confident | 74 Ų | 74 | 104.7 Ų | 104.7 | 28% | 0.279 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.7 | 179.9 | 173.9 | 165.8 | -170 | -11.1 | 112.5 | G181 K316 L318 Q322 L323 E324 | G181-R320 VanDerWaalsContact O-CZ 3.31Å; G181-R320 PolarHBondContact O-NH1 2.98Å; G181-R320 PolarHBondContact O-NH2 3.07Å; K316-R320 VanDerWaalsContact O-CB 3.3Å; K316-R320 WeakPolarHBondContact O-CB 3.3Å; K316-R320 PolarHBondContact O-N 3.04Å; L318-R320 PolarHBondContact O-N 2.88Å; R320-Q322 VanDerWaalsContact C-N 3.28Å; R320-Q322 PolarHBondContact O-N 3.39Å; R320-L323 PolarHBondContact O-N 3.39Å; R320-E324 HydrophobicContact CG-CG 4.42Å; R320-E324 IonicContact CZ-OE1 3.01Å; R320-E324 VanDerWaalsContact CZ-OE1 3.27Å; R320-E324 IonicContact NE-OE1 3.99Å; R320-E324 PolarHBondContact NE-OE1 2.85Å; R320-E324 IonicContact NH2-OE1 2.93Å; R320-E324 PolarHBondContact NH2-OE1 3.09Å; R320-E324 PolarHBondContact O-N 3.17Å |
| 321 | A | 88.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q317 L318 E319 N325 | Q317-A321 VanDerWaalsContact O-CB 3.29Å; Q317-A321 WeakPolarHBondContact O-CB 3.33Å; Q317-A321 PolarHBondContact O-N 3.19Å; L318-A321 PolarHBondContact O-N 3.13Å; E319-A321 PolarHBondContact O-N 3.03Å; A321-N325 WeakPolarHBondContact O-CB 3.45Å; A321-N325 PolarHBondContact O-N 3.07Å |
| 322 | Q | 90.3 | Very high | 88.3 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.7 | -47.6 | 171.7 | -69.6 | 171.1 | 25 | 0 | 0 | 111.3 | L318 E319 R320 E324 N325 E326 | L318-Q322 VanDerWaalsContact O-CG 3.3Å; L318-Q322 WeakPolarHBondContact O-CG 3.4Å; L318-Q322 PolarHBondContact O-N 3.07Å; E319-Q322 WeakPolarHBondContact O-CB 3.43Å; E319-Q322 PolarHBondContact O-N 3.24Å; R320-Q322 VanDerWaalsContact C-N 3.28Å; R320-Q322 PolarHBondContact O-N 3.39Å; Q322-E324 PolarHBondContact O-N 2.74Å; Q322-N325 PolarHBondContact O-N 3.38Å; Q322-E326 PolarHBondContact O-N 2.92Å |
| 323 | L | 86.9 | Confident | 88.3 | Confident | 100 Ų | 100 | 98.3 Ų | 98.3 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.4 | -70.4 | 169.6 | 0 | 0 | 0 | 112.7 | E319 R320 E326 K327 | E319-L323 HydrophobicContact CG-CD1 4.27Å; E319-L323 WeakPolarHBondContact O-CG 3.26Å; E319-L323 PolarHBondContact O-N 3.22Å; R320-L323 PolarHBondContact O-N 3.39Å; L323-E326 PolarHBondContact O-N 3.34Å; L323-K327 WeakPolarHBondContact O-CB 3.34Å; L323-K327 PolarHBondContact O-N 2.78Å |
| 324 | E | 86.2 | Confident | 88.4 | Confident | 74 Ų | 74 | 100.4 Ų | 100.4 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 175.1 | -75.9 | -170.8 | -157.4 | 0 | 0 | 112.5 | R320 Q322 K328 | R320-E324 HydrophobicContact CG-CG 4.42Å; R320-E324 IonicContact CZ-OE1 3.01Å; R320-E324 VanDerWaalsContact CZ-OE1 3.27Å; R320-E324 IonicContact NE-OE1 3.99Å; R320-E324 PolarHBondContact NE-OE1 2.85Å; R320-E324 IonicContact NH2-OE1 2.93Å; R320-E324 PolarHBondContact NH2-OE1 3.09Å; R320-E324 PolarHBondContact O-N 3.17Å; Q322-E324 PolarHBondContact O-N 2.74Å; E324-K328 WeakPolarHBondContact O-CB 3.21Å; E324-K328 WeakPolarHBondContact O-CD 3.38Å; E324-K328 VanDerWaalsContact O-CG 3.26Å; E324-K328 WeakPolarHBondContact O-CG 3.26Å; E324-K328 PolarHBondContact O-N 3.13Å; E324-K328 IonicContact OE2-NZ 2.74Å |
| 325 | N | 89.1 | Confident | 88.5 | Confident | 82 Ų | 82 | 100.8 Ų | 100.8 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 174.2 | -171.3 | -4.4 | 0 | 0 | 0 | 111 | A321 Q322 K328 K329 | A321-N325 WeakPolarHBondContact O-CB 3.45Å; A321-N325 PolarHBondContact O-N 3.07Å; Q322-N325 PolarHBondContact O-N 3.38Å; N325-K328 PolarHBondContact O-N 2.92Å; N325-K329 WeakPolarHBondContact O-CG 3.4Å; N325-K329 PolarHBondContact O-N 3.14Å; N325-K329 VanDerWaalsContact OD1-CE 3.25Å; N325-K329 WeakPolarHBondContact OD1-CE 3.32Å |
| 326 | E | 88.7 | Confident | 88.5 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 174.2 | -157.1 | -160.7 | 144.4 | 0 | 0 | 111.6 | Q322 L323 K328 K329 R330 | Q322-E326 PolarHBondContact O-N 2.92Å; L323-E326 PolarHBondContact O-N 3.34Å; E326-K328 VanDerWaalsContact C-N 3.35Å; E326-K328 PolarHBondContact O-N 3.04Å; E326-K329 WeakPolarHBondContact O-CB 3.43Å; E326-K329 PolarHBondContact O-N 3.07Å; E326-K329 VanDerWaalsContact O-N 3.16Å; E326-R330 WeakPolarHBondContact O-CG 3.49Å; E326-R330 PolarHBondContact O-N 3Å; E326-R330 IonicContact OE1-CZ 3.86Å; E326-R330 IonicContact OE1-NE 2.86Å; E326-R330 PolarHBondContact OE1-NE 3.16Å; E326-R330 IonicContact OE1-NH2 2.62Å; E326-R330 PolarHBondContact OE1-NH2 3.38Å |
| 327 | K | 87.1 | Confident | 88.6 | Confident | 152 Ų | 152 | 100.8 Ų | 100.8 | 66% | 0.661 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.3 | -45.7 | 174.8 | -173.7 | 175.9 | 179.5 | 179.3 | 0 | 111.6 | L323 K329 R330 E331 | L323-K327 WeakPolarHBondContact O-CB 3.34Å; L323-K327 PolarHBondContact O-N 2.78Å; K327-K329 PolarHBondContact O-N 2.96Å; K327-R330 PolarHBondContact O-N 3.4Å; K327-E331 WeakPolarHBondContact O-CB 3.19Å; K327-E331 PolarHBondContact O-N 2.83Å |
| 328 | K | 88.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 101.2 Ų | 101.2 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 174.9 | -73.7 | 162.3 | -176.1 | 158.2 | 0 | 112 | E324 N325 E326 E331 I332 | E324-K328 WeakPolarHBondContact O-CB 3.21Å; E324-K328 WeakPolarHBondContact O-CD 3.38Å; E324-K328 VanDerWaalsContact O-CG 3.26Å; E324-K328 WeakPolarHBondContact O-CG 3.26Å; E324-K328 PolarHBondContact O-N 3.13Å; E324-K328 IonicContact OE2-NZ 2.74Å; N325-K328 PolarHBondContact O-N 2.92Å; E326-K328 VanDerWaalsContact C-N 3.35Å; E326-K328 PolarHBondContact O-N 3.04Å; K328-E331 PolarHBondContact O-N 2.82Å; K328-I332 WeakPolarHBondContact O-CB 3.45Å; K328-I332 WeakPolarHBondContact O-CD1 3.32Å; K328-I332 VanDerWaalsContact O-CG1 3.24Å; K328-I332 WeakPolarHBondContact O-CG1 3.43Å; K328-I332 PolarHBondContact O-N 3.27Å |
| 329 | K | 90.7 | Very high | 88.8 | Confident | 127 Ų | 127 | 102.9 Ų | 102.9 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 174.9 | -74.7 | 169.9 | 177.6 | 175.1 | 0 | 112.6 | N325 E326 K327 I332 A333 | N325-K329 WeakPolarHBondContact O-CG 3.4Å; N325-K329 PolarHBondContact O-N 3.14Å; N325-K329 VanDerWaalsContact OD1-CE 3.25Å; N325-K329 WeakPolarHBondContact OD1-CE 3.32Å; E326-K329 WeakPolarHBondContact O-CB 3.43Å; E326-K329 PolarHBondContact O-N 3.07Å; E326-K329 VanDerWaalsContact O-N 3.16Å; K327-K329 PolarHBondContact O-N 2.96Å; K329-I332 PolarHBondContact O-N 3.19Å; K329-A333 WeakPolarHBondContact O-CB 3.46Å; K329-A333 PolarHBondContact O-N 3.42Å |
| 330 | R | 87.2 | Confident | 88.9 | Confident | 165 Ų | 165 | 102.2 Ų | 102.2 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 174.6 | -70.9 | 179.1 | -177.1 | -147 | 8.1 | 110.9 | E326 K327 I332 A333 E334 | E326-R330 WeakPolarHBondContact O-CG 3.49Å; E326-R330 PolarHBondContact O-N 3Å; E326-R330 IonicContact OE1-CZ 3.86Å; E326-R330 IonicContact OE1-NE 2.86Å; E326-R330 PolarHBondContact OE1-NE 3.16Å; E326-R330 IonicContact OE1-NH2 2.62Å; E326-R330 PolarHBondContact OE1-NH2 3.38Å; K327-R330 PolarHBondContact O-N 3.4Å; R330-I332 VanDerWaalsContact C-N 3.33Å; R330-I332 PolarHBondContact O-N 2.74Å; R330-A333 PolarHBondContact O-N 3.07Å; R330-E334 WeakPolarHBondContact O-CB 3.36Å; R330-E334 PolarHBondContact O-N 2.82Å |
| 331 | E | 89.6 | Confident | 89.1 | Confident | 86 Ų | 86 | 102.8 Ų | 102.8 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 177.4 | -172 | -171.4 | 155.5 | 0 | 0 | 112.7 | K327 K328 K335 | K327-E331 WeakPolarHBondContact O-CB 3.19Å; K327-E331 PolarHBondContact O-N 2.83Å; K328-E331 PolarHBondContact O-N 2.82Å; E331-K335 WeakPolarHBondContact O-CG 3.41Å; E331-K335 PolarHBondContact O-N 3.41Å; E331-K335 IonicContact OE1-NZ 3.24Å; E331-K335 PolarHBondContact OE1-NZ 2.82Å |
| 332 | I | 90.6 | Very high | 89.2 | Confident | 115 Ų | 115 | 106.4 Ų | 106.4 | 59% | 0.59 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.1 | -45.3 | 173.9 | -69.5 | 164.1 | 0 | 0 | 0 | 110.8 | K328 K329 R330 E334 K335 E336 | K328-I332 WeakPolarHBondContact O-CB 3.45Å; K328-I332 WeakPolarHBondContact O-CD1 3.32Å; K328-I332 VanDerWaalsContact O-CG1 3.24Å; K328-I332 WeakPolarHBondContact O-CG1 3.43Å; K328-I332 PolarHBondContact O-N 3.27Å; K329-I332 PolarHBondContact O-N 3.19Å; R330-I332 VanDerWaalsContact C-N 3.33Å; R330-I332 PolarHBondContact O-N 2.74Å; I332-E334 VanDerWaalsContact C-N 3.3Å; I332-E334 PolarHBondContact O-N 3.35Å; I332-K335 PolarHBondContact O-N 3.43Å; I332-E336 WeakPolarHBondContact O-CB 3.41Å; I332-E336 PolarHBondContact O-N 2.67Å |
| 333 | A | 89.8 | Confident | 89.1 | Confident | 59 Ų | 59 | 104.2 Ų | 104.2 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -31.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | K329 R330 K337 | K329-A333 WeakPolarHBondContact O-CB 3.46Å; K329-A333 PolarHBondContact O-N 3.42Å; R330-A333 PolarHBondContact O-N 3.07Å; A333-K337 WeakPolarHBondContact O-CB 3.3Å; A333-K337 PolarHBondContact O-N 3.44Å |
| 334 | E | 88.6 | Confident | 89.1 | Confident | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.5 | -49 | 174.2 | -173.7 | 163 | -135.4 | 0 | 0 | 111 | R330 I332 E336 K337 E338 | R330-E334 WeakPolarHBondContact O-CB 3.36Å; R330-E334 PolarHBondContact O-N 2.82Å; I332-E334 VanDerWaalsContact C-N 3.3Å; I332-E334 PolarHBondContact O-N 3.35Å; E334-E336 VanDerWaalsContact C-N 3.31Å; E334-E336 PolarHBondContact O-N 3.31Å; E334-K337 WeakPolarHBondContact O-CB 3.48Å; E334-K337 PolarHBondContact O-N 3.14Å; E334-E338 WeakPolarHBondContact O-CG 3.42Å; E334-E338 PolarHBondContact O-N 2.83Å |
| 335 | K | 90.8 | Very high | 89.2 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 174.5 | -68.4 | 170.6 | -169.7 | 173.1 | 0 | 113 | E331 I332 R339 | E331-K335 WeakPolarHBondContact O-CG 3.41Å; E331-K335 PolarHBondContact O-N 3.41Å; E331-K335 IonicContact OE1-NZ 3.24Å; E331-K335 PolarHBondContact OE1-NZ 2.82Å; I332-K335 PolarHBondContact O-N 3.43Å; K335-R339 PolarHBondContact O-N 2.89Å |
| 336 | E | 90.4 | Very high | 89.2 | Confident | 76 Ų | 76 | 108.5 Ų | 108.5 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 172.7 | -171.7 | 65.1 | -158.4 | 0 | 0 | 110.7 | I332 E334 R339 I340 | I332-E336 WeakPolarHBondContact O-CB 3.41Å; I332-E336 PolarHBondContact O-N 2.67Å; E334-E336 VanDerWaalsContact C-N 3.31Å; E334-E336 PolarHBondContact O-N 3.31Å; E336-R339 VanDerWaalsContact CD-NH1 3.3Å; E336-R339 PolarHBondContact O-N 3.06Å; E336-R339 VanDerWaalsContact O-N 3.15Å; E336-R339 IonicContact OE1-CZ 2.7Å; E336-R339 IonicContact OE1-NH1 3.76Å; E336-R339 PolarHBondContact OE1-NH1 3.46Å; E336-R339 IonicContact OE1-NH2 3.08Å; E336-R339 PolarHBondContact OE1-NH2 2.85Å; E336-R339 IonicContact OE2-CZ 3.68Å; E336-R339 IonicContact OE2-NH1 2.63Å; E336-R339 PolarHBondContact OE2-NH1 2.93Å; E336-R339 IonicContact OE2-NH2 3.35Å; E336-I340 HydrophobicContact CG-CD1 3.99Å; E336-I340 WeakPolarHBondContact O-CG1 3.38Å; E336-I340 PolarHBondContact O-N 3.03Å |
| 337 | K | 89.3 | Confident | 89.2 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 173 | -178.5 | -174.7 | 178.2 | -71.2 | 0 | 111.1 | A333 E334 R339 I340 E341 | A333-K337 WeakPolarHBondContact O-CB 3.3Å; A333-K337 PolarHBondContact O-N 3.44Å; E334-K337 WeakPolarHBondContact O-CB 3.48Å; E334-K337 PolarHBondContact O-N 3.14Å; K337-R339 PolarHBondContact O-N 2.87Å; K337-I340 PolarHBondContact O-N 3.32Å; K337-E341 IonicContact NZ-OE1 3.91Å; K337-E341 PolarHBondContact NZ-OE1 2.97Å; K337-E341 IonicContact NZ-OE2 3.71Å; K337-E341 PolarHBondContact NZ-OE2 3.43Å; K337-E341 VanDerWaalsContact O-CB 3.23Å; K337-E341 WeakPolarHBondContact O-CB 3.35Å; K337-E341 PolarHBondContact O-N 3.43Å |
| 338 | E | 89.9 | Confident | 89.2 | Confident | 101 Ų | 101 | 106.3 Ų | 106.3 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -30.3 | 176.7 | -73.2 | -176 | 163.9 | 0 | 0 | 113 | E334 R342 | E334-E338 WeakPolarHBondContact O-CG 3.42Å; E334-E338 PolarHBondContact O-N 2.83Å; E338-R342 PolarHBondContact O-N 3.19Å; E338-R342 PolarHBondContact O-NE 2.71Å; E338-R342 PolarHBondContact O-NH2 2.82Å; E338-R342 IonicContact OE2-NH2 2.73Å |
| 339 | R | 91.3 | Very high | 89.1 | Confident | 106 Ų | 106 | 104.9 Ų | 104.9 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.1 | -48.5 | 175.2 | -156 | -172.7 | 72.2 | -108.5 | -14.2 | 110.9 | K335 E336 K337 E341 R342 E343 | K335-R339 PolarHBondContact O-N 2.89Å; E336-R339 VanDerWaalsContact CD-NH1 3.3Å; E336-R339 PolarHBondContact O-N 3.06Å; E336-R339 VanDerWaalsContact O-N 3.15Å; E336-R339 IonicContact OE1-CZ 2.7Å; E336-R339 IonicContact OE1-NH1 3.76Å; E336-R339 PolarHBondContact OE1-NH1 3.46Å; E336-R339 IonicContact OE1-NH2 3.08Å; E336-R339 PolarHBondContact OE1-NH2 2.85Å; E336-R339 IonicContact OE2-CZ 3.68Å; E336-R339 IonicContact OE2-NH1 2.63Å; E336-R339 PolarHBondContact OE2-NH1 2.93Å; E336-R339 IonicContact OE2-NH2 3.35Å; K337-R339 PolarHBondContact O-N 2.87Å; R339-E341 PolarHBondContact O-N 3.27Å; R339-R342 PolarHBondContact O-N 3.33Å; R339-E343 WeakPolarHBondContact CD-OE1 3.43Å; R339-E343 WeakPolarHBondContact CG-OE1 3.4Å; R339-E343 IonicContact CZ-OE1 2.7Å; R339-E343 IonicContact NE-OE1 3.63Å; R339-E343 PolarHBondContact NE-OE1 3.01Å; R339-E343 IonicContact NH2-OE1 3.16Å; R339-E343 WeakPolarHBondContact O-CB 3.44Å; R339-E343 WeakPolarHBondContact O-CG 3.44Å; R339-E343 PolarHBondContact O-N 2.7Å |
| 340 | I | 90.5 | Very high | 89 | Confident | 89 Ų | 89 | 105.2 Ų | 105.2 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -35.6 | 176.8 | -67.4 | 167.8 | 0 | 0 | 0 | 111.5 | E336 K337 K344 | E336-I340 HydrophobicContact CG-CD1 3.99Å; E336-I340 WeakPolarHBondContact O-CG1 3.38Å; E336-I340 PolarHBondContact O-N 3.03Å; K337-I340 PolarHBondContact O-N 3.32Å; I340-K344 WeakPolarHBondContact O-CB 3.47Å; I340-K344 PolarHBondContact O-N 3.07Å |
| 341 | E | 87.8 | Confident | 88.7 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 179.2 | -161 | 150.9 | -130.3 | 0 | 0 | 111.6 | K337 R339 K344 E345 | K337-E341 IonicContact NZ-OE1 3.91Å; K337-E341 PolarHBondContact NZ-OE1 2.97Å; K337-E341 IonicContact NZ-OE2 3.71Å; K337-E341 PolarHBondContact NZ-OE2 3.43Å; K337-E341 VanDerWaalsContact O-CB 3.23Å; K337-E341 WeakPolarHBondContact O-CB 3.35Å; K337-E341 PolarHBondContact O-N 3.43Å; R339-E341 PolarHBondContact O-N 3.27Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3Å; E341-E345 WeakPolarHBondContact O-CG 3.23Å; E341-E345 PolarHBondContact O-N 3.21Å |
| 342 | R | 90.1 | Very high | 88.5 | Confident | 135 Ų | 135 | 103.5 Ų | 103.5 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -45 | 170.2 | -78.8 | 175.2 | -78.5 | 176.8 | -12.6 | 112.9 | E338 R339 K344 E345 E346 | E338-R342 PolarHBondContact O-N 3.19Å; E338-R342 PolarHBondContact O-NE 2.71Å; E338-R342 PolarHBondContact O-NH2 2.82Å; E338-R342 IonicContact OE2-NH2 2.73Å; R339-R342 PolarHBondContact O-N 3.33Å; R342-K344 PolarHBondContact O-N 2.74Å; R342-E345 PolarHBondContact O-N 3.03Å; R342-E345 VanDerWaalsContact O-N 3.12Å; R342-E346 PolarHBondContact O-N 3.34Å |
| 343 | E | 89 | Confident | 88.2 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -37.9 | 174.5 | -72.7 | 170.3 | -159.3 | 0 | 0 | 111 | R339 L347 | R339-E343 WeakPolarHBondContact CD-OE1 3.43Å; R339-E343 WeakPolarHBondContact CG-OE1 3.4Å; R339-E343 IonicContact CZ-OE1 2.7Å; R339-E343 IonicContact NE-OE1 3.63Å; R339-E343 PolarHBondContact NE-OE1 3.01Å; R339-E343 IonicContact NH2-OE1 3.16Å; R339-E343 WeakPolarHBondContact O-CB 3.44Å; R339-E343 WeakPolarHBondContact O-CG 3.44Å; R339-E343 PolarHBondContact O-N 2.7Å; E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.24Å; E343-L347 WeakPolarHBondContact O-CG 3.2Å; E343-L347 PolarHBondContact O-N 2.93Å |
| 344 | K | 85.9 | Confident | 87.9 | Confident | 117 Ų | 117 | 104 Ų | 104 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 173.3 | -178.4 | -162 | 170.1 | -160.2 | 0 | 112.2 | I340 E341 R342 L347 M348 | I340-K344 WeakPolarHBondContact O-CB 3.47Å; I340-K344 PolarHBondContact O-N 3.07Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3Å; R342-K344 PolarHBondContact O-N 2.74Å; K344-L347 PolarHBondContact O-N 2.7Å; K344-M348 HydrophobicContact CD-CE 4.42Å; K344-M348 HydrophobicContact CG-CE 4.21Å; K344-M348 HydrophobicContact CG-CG 4.41Å; K344-M348 HydrophobicContact CG-SD 4.33Å; K344-M348 WeakPolarHBondContact O-CB 3.48Å; K344-M348 VanDerWaalsContact O-CG 3.29Å; K344-M348 WeakPolarHBondContact O-CG 3.5Å; K344-M348 PolarHBondContact O-N 3.12Å |
| 345 | E | 87.4 | Confident | 87.3 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 175.2 | -75.9 | 178.4 | 160.2 | 0 | 0 | 111.7 | E341 R342 L347 M348 E349 | E341-E345 WeakPolarHBondContact O-CG 3.23Å; E341-E345 PolarHBondContact O-N 3.21Å; R342-E345 PolarHBondContact O-N 3.03Å; R342-E345 VanDerWaalsContact O-N 3.12Å; E345-L347 PolarHBondContact O-N 2.91Å; E345-M348 HydrophobicContact CG-CE 4.08Å; E345-M348 PolarHBondContact O-N 3.22Å; E345-E349 PolarHBondContact O-N 2.93Å |
| 346 | E | 89.3 | Confident | 87 | Confident | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 172.1 | -75.5 | -168.6 | -147.7 | 0 | 0 | 112.4 | R342 E349 R350 | R342-E346 PolarHBondContact O-N 3.34Å; E346-E349 PolarHBondContact O-N 3.39Å; E346-R350 VanDerWaalsContact O-CG 3.32Å; E346-R350 WeakPolarHBondContact O-CG 3.42Å; E346-R350 PolarHBondContact O-N 2.64Å; E346-R350 IonicContact OE2-CZ 2.74Å; E346-R350 IonicContact OE2-NH2 3.19Å; E346-R350 PolarHBondContact OE2-NH2 3.35Å |
| 347 | L | 89.3 | Confident | 86.4 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 178.5 | -76.3 | 168.9 | 0 | 0 | 0 | 112.7 | E343 K344 E345 R350 L351 | E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.24Å; E343-L347 WeakPolarHBondContact O-CG 3.2Å; E343-L347 PolarHBondContact O-N 2.93Å; K344-L347 PolarHBondContact O-N 2.7Å; E345-L347 PolarHBondContact O-N 2.91Å; L347-R350 PolarHBondContact O-N 3.46Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.3Å; L347-L351 WeakPolarHBondContact O-CG 3.42Å; L347-L351 PolarHBondContact O-N 3.05Å |
| 348 | M | 87.3 | Confident | 85.6 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 174.7 | -74.7 | -174.3 | -54.1 | 0 | 0 | 111.5 | K344 E345 L351 K352 | K344-M348 HydrophobicContact CD-CE 4.42Å; K344-M348 HydrophobicContact CG-CE 4.21Å; K344-M348 HydrophobicContact CG-CG 4.41Å; K344-M348 HydrophobicContact CG-SD 4.33Å; K344-M348 WeakPolarHBondContact O-CB 3.48Å; K344-M348 VanDerWaalsContact O-CG 3.29Å; K344-M348 WeakPolarHBondContact O-CG 3.5Å; K344-M348 PolarHBondContact O-N 3.12Å; E345-M348 HydrophobicContact CG-CE 4.08Å; E345-M348 PolarHBondContact O-N 3.22Å; M348-L351 PolarHBondContact O-N 2.9Å; M348-K352 VanDerWaalsContact O-CB 3.31Å; M348-K352 WeakPolarHBondContact O-CB 3.44Å; M348-K352 PolarHBondContact O-N 3.37Å |
| 349 | E | 87.4 | Confident | 85.3 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 176 | -175.7 | 54.4 | -146.4 | 0 | 0 | 111.6 | E345 E346 K352 Q353 | E345-E349 PolarHBondContact O-N 2.93Å; E346-E349 PolarHBondContact O-N 3.39Å; E349-K352 VanDerWaalsContact CD-NZ 3.25Å; E349-K352 PolarHBondContact O-N 2.85Å; E349-K352 IonicContact OE1-NZ 3.43Å; E349-K352 PolarHBondContact OE1-NZ 2.87Å; E349-K352 IonicContact OE2-NZ 3.9Å; E349-K352 PolarHBondContact OE2-NZ 3.3Å; E349-Q353 VanDerWaalsContact O-CG 3.27Å; E349-Q353 WeakPolarHBondContact O-CG 3.39Å; E349-Q353 PolarHBondContact O-N 3.48Å; E349-Q353 PolarHBondContact OE1-NE2 2.88Å |
| 350 | R | 87.7 | Confident | 84.8 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 170.4 | -70.7 | 179.3 | -154.4 | -173.3 | 10.8 | 112.5 | E346 L347 K352 Q353 I354 | E346-R350 VanDerWaalsContact O-CG 3.32Å; E346-R350 WeakPolarHBondContact O-CG 3.42Å; E346-R350 PolarHBondContact O-N 2.64Å; E346-R350 IonicContact OE2-CZ 2.74Å; E346-R350 IonicContact OE2-NH2 3.19Å; E346-R350 PolarHBondContact OE2-NH2 3.35Å; L347-R350 PolarHBondContact O-N 3.46Å; R350-K352 VanDerWaalsContact C-N 3.34Å; R350-K352 PolarHBondContact O-N 2.73Å; R350-Q353 PolarHBondContact O-N 3.32Å; R350-I354 VanDerWaalsContact O-CG1 3.31Å; R350-I354 WeakPolarHBondContact O-CG1 3.48Å; R350-I354 PolarHBondContact O-N 3.4Å |
| 351 | L | 80.3 | Confident | 84.1 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 175.9 | -79.7 | 170.1 | 0 | 0 | 0 | 111.4 | L347 M348 Q353 I354 E355 | L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.3Å; L347-L351 WeakPolarHBondContact O-CG 3.42Å; L347-L351 PolarHBondContact O-N 3.05Å; M348-L351 PolarHBondContact O-N 2.9Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; L351-Q353 PolarHBondContact O-N 2.85Å; L351-I354 CarbonylContact O-C 3.58Å; L351-I354 PolarHBondContact O-N 2.99Å; L351-E355 WeakPolarHBondContact O-CB 3.44Å; L351-E355 PolarHBondContact O-N 3.08Å |
| 352 | K | 86.4 | Confident | 83.4 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 45% | 0.452 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 174.5 | 170.9 | 167 | 152.7 | -81.8 | 0 | 112.6 | M348 E349 R350 E355 E356 | M348-K352 VanDerWaalsContact O-CB 3.31Å; M348-K352 WeakPolarHBondContact O-CB 3.44Å; M348-K352 PolarHBondContact O-N 3.37Å; E349-K352 VanDerWaalsContact CD-NZ 3.25Å; E349-K352 PolarHBondContact O-N 2.85Å; E349-K352 IonicContact OE1-NZ 3.43Å; E349-K352 PolarHBondContact OE1-NZ 2.87Å; E349-K352 IonicContact OE2-NZ 3.9Å; E349-K352 PolarHBondContact OE2-NZ 3.3Å; R350-K352 VanDerWaalsContact C-N 3.34Å; R350-K352 PolarHBondContact O-N 2.73Å; K352-E355 PolarHBondContact O-N 3.06Å; K352-E356 WeakPolarHBondContact O-CB 3.31Å; K352-E356 PolarHBondContact O-N 2.93Å |
| 353 | Q | 83.9 | Confident | 82.9 | Confident | 90 Ų | 90 | 101.7 Ų | 101.7 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 172.6 | -72.1 | 167.7 | 19.6 | 0 | 0 | 112.2 | E349 R350 L351 E356 Q357 | E349-Q353 VanDerWaalsContact O-CG 3.27Å; E349-Q353 WeakPolarHBondContact O-CG 3.39Å; E349-Q353 PolarHBondContact O-N 3.48Å; E349-Q353 PolarHBondContact OE1-NE2 2.88Å; R350-Q353 PolarHBondContact O-N 3.32Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; L351-Q353 PolarHBondContact O-N 2.85Å; Q353-E356 PolarHBondContact O-N 3.49Å; Q353-Q357 WeakPolarHBondContact O-CB 3.44Å; Q353-Q357 WeakPolarHBondContact O-CG 3.5Å; Q353-Q357 PolarHBondContact O-N 3.43Å |
| 354 | I | 82.6 | Confident | 82.3 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 174.7 | -68 | 163.6 | 0 | 0 | 0 | 110.9 | R350 L351 Q357 T358 | R350-I354 VanDerWaalsContact O-CG1 3.31Å; R350-I354 WeakPolarHBondContact O-CG1 3.48Å; R350-I354 PolarHBondContact O-N 3.4Å; L351-I354 CarbonylContact O-C 3.58Å; L351-I354 PolarHBondContact O-N 2.99Å; I354-Q357 PolarHBondContact O-N 3.1Å; I354-T358 VanDerWaalsContact O-CB 3.3Å; I354-T358 WeakPolarHBondContact O-CB 3.3Å; I354-T358 PolarHBondContact O-N 3.31Å; I354-T358 PolarHBondContact O-OG1 2.77Å |
| 355 | E | 77.6 | Confident | 81.8 | Confident | 124 Ų | 124 | 100.5 Ų | 100.5 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -45.3 | 174.7 | -177.4 | 177 | -152.4 | 0 | 0 | 110.9 | L351 K352 Q357 T358 I359 | L351-E355 WeakPolarHBondContact O-CB 3.44Å; L351-E355 PolarHBondContact O-N 3.08Å; K352-E355 PolarHBondContact O-N 3.06Å; E355-Q357 VanDerWaalsContact C-N 3.34Å; E355-Q357 PolarHBondContact O-N 3.42Å; E355-T358 PolarHBondContact O-N 3.45Å; E355-I359 HydrophobicContact CG-CD1 3.9Å; E355-I359 WeakPolarHBondContact O-CB 3.48Å; E355-I359 VanDerWaalsContact O-CG1 3.3Å; E355-I359 WeakPolarHBondContact O-CG1 3.32Å; E355-I359 PolarHBondContact O-N 3.04Å |
| 356 | E | 82.9 | Confident | 81.2 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 176.1 | -160.5 | -169 | 141.2 | 0 | 0 | 111.9 | K352 Q353 K360 | K352-E356 WeakPolarHBondContact O-CB 3.31Å; K352-E356 PolarHBondContact O-N 2.93Å; Q353-E356 PolarHBondContact O-N 3.49Å; E356-K360 WeakPolarHBondContact O-CB 3.28Å; E356-K360 WeakPolarHBondContact O-CD 3.38Å; E356-K360 VanDerWaalsContact O-CG 3.23Å; E356-K360 WeakPolarHBondContact O-CG 3.23Å; E356-K360 PolarHBondContact O-N 3.17Å; E356-K360 WeakPolarHBondContact OE1-CE 3.34Å; E356-K360 IonicContact OE1-NZ 2.78Å; E356-K360 PolarHBondContact OE1-NZ 3.35Å |
| 357 | Q | 78.1 | Confident | 80.8 | Confident | 127 Ų | 127 | 100.1 Ų | 100.1 | 59% | 0.593 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 171.2 | -75.5 | 171.4 | 4.8 | 0 | 0 | 111.9 | Q353 I354 E355 K360 A361 | Q353-Q357 WeakPolarHBondContact O-CB 3.44Å; Q353-Q357 WeakPolarHBondContact O-CG 3.5Å; Q353-Q357 PolarHBondContact O-N 3.43Å; I354-Q357 PolarHBondContact O-N 3.1Å; E355-Q357 VanDerWaalsContact C-N 3.34Å; E355-Q357 PolarHBondContact O-N 3.42Å; Q357-K360 WeakPolarHBondContact O-CB 3.22Å; Q357-K360 PolarHBondContact O-N 3.18Å; Q357-A361 WeakPolarHBondContact O-CB 3.5Å; Q357-A361 PolarHBondContact O-N 3.3Å |
| 358 | T | 73.8 | Confident | 80.1 | Confident | 67 Ų | 67 | 98.5 Ų | 98.5 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 111 | I354 E355 K360 A361 Q362 | I354-T358 VanDerWaalsContact O-CB 3.3Å; I354-T358 WeakPolarHBondContact O-CB 3.3Å; I354-T358 PolarHBondContact O-N 3.31Å; I354-T358 PolarHBondContact O-OG1 2.77Å; E355-T358 PolarHBondContact O-N 3.45Å; T358-K360 VanDerWaalsContact C-N 3.33Å; T358-A361 PolarHBondContact O-N 2.68Å; T358-Q362 WeakPolarHBondContact O-CB 3.39Å; T358-Q362 WeakPolarHBondContact O-CG 3.43Å; T358-Q362 PolarHBondContact O-N 2.82Å |
| 359 | I | 83.3 | Confident | 79.5 | Confident | 70 Ų | 70 | 97.5 Ų | 97.5 | 36% | 0.359 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 174.6 | -70 | 167.4 | 0 | 0 | 0 | 110.9 | E355 K363 | E355-I359 HydrophobicContact CG-CD1 3.9Å; E355-I359 WeakPolarHBondContact O-CB 3.48Å; E355-I359 VanDerWaalsContact O-CG1 3.3Å; E355-I359 WeakPolarHBondContact O-CG1 3.32Å; E355-I359 PolarHBondContact O-N 3.04Å; I359-K363 HydrophobicContact CG2-CD 4.18Å; I359-K363 WeakPolarHBondContact O-CB 3.34Å; I359-K363 VanDerWaalsContact O-CG 3.27Å; I359-K363 WeakPolarHBondContact O-CG 3.39Å; I359-K363 PolarHBondContact O-N 3.1Å; I359-K363 VanDerWaalsContact O-N 3.08Å |
| 360 | K | 79.4 | Confident | 79.1 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 172.1 | -76 | 165.5 | -176.1 | 168 | 0 | 111 | E356 Q357 T358 Q362 K363 E364 | E356-K360 WeakPolarHBondContact O-CB 3.28Å; E356-K360 WeakPolarHBondContact O-CD 3.38Å; E356-K360 VanDerWaalsContact O-CG 3.23Å; E356-K360 WeakPolarHBondContact O-CG 3.23Å; E356-K360 PolarHBondContact O-N 3.17Å; E356-K360 WeakPolarHBondContact OE1-CE 3.34Å; E356-K360 IonicContact OE1-NZ 2.78Å; E356-K360 PolarHBondContact OE1-NZ 3.35Å; Q357-K360 WeakPolarHBondContact O-CB 3.22Å; Q357-K360 PolarHBondContact O-N 3.18Å; T358-K360 VanDerWaalsContact C-N 3.33Å; K360-Q362 VanDerWaalsContact C-N 3.34Å; K360-Q362 PolarHBondContact O-N 3.39Å; K360-K363 PolarHBondContact O-N 3.31Å; K360-E364 WeakPolarHBondContact O-CB 3.35Å; K360-E364 PolarHBondContact O-N 3.26Å |
| 361 | A | 76.8 | Confident | 78.6 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 44% | 0.438 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q357 T358 E364 L365 | Q357-A361 WeakPolarHBondContact O-CB 3.5Å; Q357-A361 PolarHBondContact O-N 3.3Å; T358-A361 PolarHBondContact O-N 2.68Å; A361-E364 PolarHBondContact O-N 3.26Å; A361-L365 VanDerWaalsContact O-CB 3.23Å; A361-L365 WeakPolarHBondContact O-CB 3.49Å; A361-L365 PolarHBondContact O-N 2.83Å |
| 362 | Q | 73.7 | Confident | 78.4 | Confident | 113 Ų | 113 | 94 Ų | 94 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 174 | -79.3 | 179.8 | -11.9 | 0 | 0 | 112 | T358 K360 E364 L365 E366 | T358-Q362 WeakPolarHBondContact O-CB 3.39Å; T358-Q362 WeakPolarHBondContact O-CG 3.43Å; T358-Q362 PolarHBondContact O-N 2.82Å; K360-Q362 VanDerWaalsContact C-N 3.34Å; K360-Q362 PolarHBondContact O-N 3.39Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 2.99Å; Q362-L365 PolarHBondContact O-N 2.75Å; Q362-E366 WeakPolarHBondContact O-CB 3.31Å; Q362-E366 WeakPolarHBondContact O-CG 3.37Å; Q362-E366 PolarHBondContact O-N 2.92Å |
| 363 | K | 78.9 | Confident | 78 | Confident | 133 Ų | 133 | 94.2 Ų | 94.2 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 176.6 | -74.4 | 171.1 | -178.7 | 174.6 | 0 | 112.5 | I359 K360 E366 E367 | I359-K363 HydrophobicContact CG2-CD 4.18Å; I359-K363 WeakPolarHBondContact O-CB 3.34Å; I359-K363 VanDerWaalsContact O-CG 3.27Å; I359-K363 WeakPolarHBondContact O-CG 3.39Å; I359-K363 PolarHBondContact O-N 3.1Å; I359-K363 VanDerWaalsContact O-N 3.08Å; K360-K363 PolarHBondContact O-N 3.31Å; K363-E366 PolarHBondContact O-N 3.23Å; K363-E367 WeakPolarHBondContact O-CB 3.48Å; K363-E367 PolarHBondContact O-N 3.18Å |
| 364 | E | 75.9 | Confident | 77.8 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.6 | -39.5 | 176 | -171.1 | 158.4 | -157.7 | 0 | 0 | 111.1 | K360 A361 Q362 E367 Q368 | K360-E364 WeakPolarHBondContact O-CB 3.35Å; K360-E364 PolarHBondContact O-N 3.26Å; A361-E364 PolarHBondContact O-N 3.26Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 2.99Å; E364-E367 PolarHBondContact O-N 2.91Å; E364-Q368 WeakPolarHBondContact O-CB 3.19Å; E364-Q368 WeakPolarHBondContact O-CG 3.2Å; E364-Q368 PolarHBondContact O-N 3.4Å |
| 365 | L | 75.3 | Confident | 77.4 | Confident | 51 Ų | 51 | 91.8 Ų | 91.8 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 172.9 | -165.6 | 71.8 | 0 | 0 | 0 | 112.1 | A361 Q362 T369 L456 | A361-L365 VanDerWaalsContact O-CB 3.23Å; A361-L365 WeakPolarHBondContact O-CB 3.49Å; A361-L365 PolarHBondContact O-N 2.83Å; Q362-L365 PolarHBondContact O-N 2.75Å; L365-T369 VanDerWaalsContact O-CB 3.25Å; L365-T369 WeakPolarHBondContact O-CB 3.22Å; L365-T369 PolarHBondContact O-N 3.02Å; L365-T369 PolarHBondContact O-OG1 3.16Å; L365-L456 HydrophobicContact CD1-CB 4.15Å; L365-L456 HydrophobicContact CD1-CD1 3.87Å; L365-L456 HydrophobicContact CD1-CG 3.98Å; L365-L456 HydrophobicContact CD2-CD1 4.45Å; L365-L456 HydrophobicContact CD2-CG 4.45Å; L365-L456 HydrophobicContact CG-CD1 4.12Å; L365-L456 HydrophobicContact CG-CG 4.49Å |
| 366 | E | 76.3 | Confident | 77.2 | Confident | 137 Ų | 137 | 89.4 Ų | 89.4 | 64% | 0.64 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 172 | -77.1 | -178.6 | 163.6 | 0 | 0 | 111.5 | Q362 K363 T369 R370 | Q362-E366 WeakPolarHBondContact O-CB 3.31Å; Q362-E366 WeakPolarHBondContact O-CG 3.37Å; Q362-E366 PolarHBondContact O-N 2.92Å; K363-E366 PolarHBondContact O-N 3.23Å; E366-T369 PolarHBondContact O-N 2.97Å; E366-R370 WeakPolarHBondContact O-CB 3.31Å; E366-R370 PolarHBondContact O-N 3.25Å |
| 367 | E | 79.1 | Confident | 77 | Confident | 84 Ų | 84 | 89 Ų | 89 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 178.7 | -171.2 | 173.2 | 141.7 | 0 | 0 | 112.3 | K363 E364 R370 K371 | K363-E367 WeakPolarHBondContact O-CB 3.48Å; K363-E367 PolarHBondContact O-N 3.18Å; E364-E367 PolarHBondContact O-N 2.91Å; E367-R370 PolarHBondContact O-N 3.43Å; E367-K371 HydrophobicContact CG-CD 4.33Å; E367-K371 WeakPolarHBondContact O-CB 3.49Å; E367-K371 VanDerWaalsContact O-CG 3.31Å; E367-K371 WeakPolarHBondContact O-CG 3.44Å; E367-K371 PolarHBondContact O-N 3.42Å; E367-K371 WeakPolarHBondContact OE1-CE 3.36Å; E367-K371 IonicContact OE1-NZ 3.36Å; E367-K371 PolarHBondContact OE1-NZ 3.07Å |
| 368 | Q | 75.4 | Confident | 76.9 | Confident | 64 Ų | 64 | 87.5 Ų | 87.5 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 170.8 | -74.5 | -171.4 | 16.7 | 0 | 0 | 111.2 | E364 R370 K371 A372 | E364-Q368 WeakPolarHBondContact O-CB 3.19Å; E364-Q368 WeakPolarHBondContact O-CG 3.2Å; E364-Q368 PolarHBondContact O-N 3.4Å; Q368-R370 VanDerWaalsContact C-N 3.33Å; Q368-R370 PolarHBondContact O-N 3.32Å; Q368-K371 PolarHBondContact O-N 3.46Å; Q368-A372 WeakPolarHBondContact O-CB 2.94Å; Q368-A372 PolarHBondContact O-N 3.29Å |
| 369 | T | 74.8 | Confident | 76.9 | Confident | 72 Ų | 72 | 88.1 Ų | 88.1 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 176 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | L365 E366 A372 L373 | L365-T369 VanDerWaalsContact O-CB 3.25Å; L365-T369 WeakPolarHBondContact O-CB 3.22Å; L365-T369 PolarHBondContact O-N 3.02Å; L365-T369 PolarHBondContact O-OG1 3.16Å; E366-T369 PolarHBondContact O-N 2.97Å; T369-A372 PolarHBondContact O-N 2.9Å; T369-L373 WeakPolarHBondContact O-CB 3.27Å; T369-L373 PolarHBondContact O-N 3.14Å; T369-L373 VanDerWaalsContact O-N 3.08Å |
| 370 | R | 79.6 | Confident | 76.4 | Confident | 128 Ų | 128 | 90.7 Ų | 90.7 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.8 | -166.4 | -177 | 71.9 | -120.8 | -2.1 | 111.7 | E366 E367 Q368 L373 E374 | E366-R370 WeakPolarHBondContact O-CB 3.31Å; E366-R370 PolarHBondContact O-N 3.25Å; E367-R370 PolarHBondContact O-N 3.43Å; Q368-R370 VanDerWaalsContact C-N 3.33Å; Q368-R370 PolarHBondContact O-N 3.32Å; R370-L373 PolarHBondContact O-N 3.11Å; R370-E374 WeakPolarHBondContact CG-OE1 3.47Å; R370-E374 IonicContact NE-OE1 3.21Å; R370-E374 PolarHBondContact NE-OE1 3.15Å; R370-E374 WeakPolarHBondContact O-CG 3.09Å; R370-E374 PolarHBondContact O-N 3.37Å |
| 371 | K | 77.6 | Confident | 76.2 | Confident | 94 Ų | 94 | 92.6 Ų | 92.6 | 41% | 0.409 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.9 | -74.2 | 167.9 | -176.3 | 164.6 | 0 | 111.5 | E367 Q368 L373 E374 L375 | E367-K371 HydrophobicContact CG-CD 4.33Å; E367-K371 WeakPolarHBondContact O-CB 3.49Å; E367-K371 VanDerWaalsContact O-CG 3.31Å; E367-K371 WeakPolarHBondContact O-CG 3.44Å; E367-K371 PolarHBondContact O-N 3.42Å; E367-K371 WeakPolarHBondContact OE1-CE 3.36Å; E367-K371 IonicContact OE1-NZ 3.36Å; E367-K371 PolarHBondContact OE1-NZ 3.07Å; Q368-K371 PolarHBondContact O-N 3.46Å; K371-L373 VanDerWaalsContact C-N 3.28Å; K371-L373 PolarHBondContact O-N 2.89Å; K371-E374 PolarHBondContact O-N 3.41Å; K371-L375 WeakPolarHBondContact O-CG 3.37Å; K371-L375 PolarHBondContact O-N 3.22Å |
| 372 | A | 74.8 | Confident | 76.1 | Confident | 33 Ų | 33 | 91 Ų | 91 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q368 T369 L375 D376 A452 | Q368-A372 WeakPolarHBondContact O-CB 2.94Å; Q368-A372 PolarHBondContact O-N 3.29Å; T369-A372 PolarHBondContact O-N 2.9Å; A372-L375 PolarHBondContact O-N 2.94Å; A372-D376 PolarHBondContact O-N 3.48Å; A372-A452 HydrophobicContact CB-CB 4.45Å |
| 373 | L | 78.8 | Confident | 76 | Confident | 107 Ų | 107 | 91.6 Ų | 91.6 | 56% | 0.56 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69 | -37.3 | 175.6 | -175.3 | 66.3 | 0 | 0 | 0 | 113.1 | T369 R370 K371 Q377 | T369-L373 WeakPolarHBondContact O-CB 3.27Å; T369-L373 PolarHBondContact O-N 3.14Å; T369-L373 VanDerWaalsContact O-N 3.08Å; R370-L373 PolarHBondContact O-N 3.11Å; K371-L373 VanDerWaalsContact C-N 3.28Å; K371-L373 PolarHBondContact O-N 2.89Å; L373-Q377 WeakPolarHBondContact O-CG 3.33Å; L373-Q377 PolarHBondContact O-N 3.23Å |
| 374 | E | 79.1 | Confident | 75.9 | Confident | 93 Ų | 93 | 90.5 Ų | 90.5 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 173.2 | -73.2 | 165.2 | -171 | 0 | 0 | 110.8 | R370 K371 Q377 E378 | R370-E374 WeakPolarHBondContact CG-OE1 3.47Å; R370-E374 IonicContact NE-OE1 3.21Å; R370-E374 PolarHBondContact NE-OE1 3.15Å; R370-E374 WeakPolarHBondContact O-CG 3.09Å; R370-E374 PolarHBondContact O-N 3.37Å; K371-E374 PolarHBondContact O-N 3.41Å; E374-Q377 WeakPolarHBondContact O-CB 3.39Å; E374-Q377 PolarHBondContact O-N 2.99Å; E374-E378 PolarHBondContact O-N 3.22Å |
| 375 | L | 74.6 | Confident | 75.8 | Confident | 40 Ų | 40 | 88 Ų | 88 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 179.5 | -65.7 | -170.9 | 0 | 0 | 0 | 113.6 | K371 A372 Q377 E378 R379 W445 K448 | K371-L375 WeakPolarHBondContact O-CG 3.37Å; K371-L375 PolarHBondContact O-N 3.22Å; A372-L375 PolarHBondContact O-N 2.94Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-E378 PolarHBondContact O-N 3.34Å; L375-R379 VanDerWaalsContact O-CB 3.24Å; L375-R379 WeakPolarHBondContact O-CB 3Å; L375-R379 PolarHBondContact O-N 3.48Å; L375-W445 HydrophobicContact CD1-CE3 4.03Å; L375-W445 HydrophobicContact CD1-CZ3 4.01Å; L375-W445 HydrophobicContact CD2-CD2 4.49Å; L375-W445 HydrophobicContact CD2-CE3 3.63Å; L375-W445 HydrophobicContact CD2-CH2 3.95Å; L375-W445 HydrophobicContact CD2-CZ3 3.32Å; L375-W445 HydrophobicContact CG-CE3 4.3Å; L375-W445 HydrophobicContact CG-CZ3 4.27Å; L375-K448 HydrophobicContact CD1-CB 4.29Å |
| 376 | D | 73.5 | Confident | 75.6 | Confident | 74 Ų | 74 | 86.6 Ų | 86.6 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.9 | -32.1 | 174.3 | -166.7 | 65.7 | 0 | 0 | 0 | 111.9 | A372 R379 K380 | A372-D376 PolarHBondContact O-N 3.48Å; D376-R379 IonicContact OD1-NH1 2.69Å; D376-R379 PolarHBondContact OD1-NH1 3.36Å; D376-R379 VanDerWaalsContact OD1-NH1 3.08Å; D376-K380 VanDerWaalsContact O-CB 3.25Å; D376-K380 WeakPolarHBondContact O-CB 3.49Å; D376-K380 PolarHBondContact O-N 3.21Å |
| 377 | Q | 78.8 | Confident | 75.5 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 171 | -74.7 | 179.7 | 55 | 0 | 0 | 112.7 | L373 E374 L375 K380 R381 | L373-Q377 WeakPolarHBondContact O-CG 3.33Å; L373-Q377 PolarHBondContact O-N 3.23Å; E374-Q377 WeakPolarHBondContact O-CB 3.39Å; E374-Q377 PolarHBondContact O-N 2.99Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; Q377-K380 PolarHBondContact O-N 3Å; Q377-R381 WeakPolarHBondContact O-CG 3.23Å; Q377-R381 PolarHBondContact O-N 3.28Å |
| 378 | E | 76.6 | Confident | 75.5 | Confident | 95 Ų | 95 | 86.5 Ų | 86.5 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 175.7 | -68.6 | -157.4 | 139.6 | 0 | 0 | 111.9 | E374 L375 K380 R381 A382 | E374-E378 PolarHBondContact O-N 3.22Å; L375-E378 PolarHBondContact O-N 3.34Å; E378-K380 VanDerWaalsContact C-N 3.27Å; E378-K380 PolarHBondContact O-N 3.17Å; E378-R381 PolarHBondContact O-N 2.98Å; E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 3.22Å |
| 379 | R | 72.1 | Confident | 75.4 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 30% | 0.302 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -54.1 | -42.7 | 173.3 | 178.5 | -176.9 | 175.4 | -131.6 | 5.8 | 111.9 | L375 D376 K383 W445 | L375-R379 VanDerWaalsContact O-CB 3.24Å; L375-R379 WeakPolarHBondContact O-CB 3Å; L375-R379 PolarHBondContact O-N 3.48Å; D376-R379 IonicContact OD1-NH1 2.69Å; D376-R379 PolarHBondContact OD1-NH1 3.36Å; D376-R379 VanDerWaalsContact OD1-NH1 3.08Å; R379-K383 PolarHBondContact O-N 3.46Å; R379-W445 HydrophobicContact CB-CB 4.47Å |
| 380 | K | 73.6 | Confident | 75.3 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 177.5 | -174.3 | 174.1 | 177.9 | -179.2 | 0 | 112.1 | D376 Q377 E378 A382 K383 E384 | D376-K380 VanDerWaalsContact O-CB 3.25Å; D376-K380 WeakPolarHBondContact O-CB 3.49Å; D376-K380 PolarHBondContact O-N 3.21Å; Q377-K380 PolarHBondContact O-N 3Å; E378-K380 VanDerWaalsContact C-N 3.27Å; E378-K380 PolarHBondContact O-N 3.17Å; K380-A382 PolarHBondContact O-N 3.29Å; K380-K383 PolarHBondContact O-N 3.42Å; K380-E384 WeakPolarHBondContact CE-OE1 3.3Å; K380-E384 WeakPolarHBondContact CG-OE1 3.44Å; K380-E384 WeakPolarHBondContact O-CG 3.31Å; K380-E384 PolarHBondContact O-N 3.33Å |
| 381 | R | 76.2 | Confident | 75.2 | Confident | 154 Ų | 154 | 83.9 Ų | 83.9 | 58% | 0.581 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.3 | -44.7 | 175.1 | -69 | 173.3 | -169.4 | 168.7 | 7.6 | 112 | Q377 E378 K383 E384 E385 | Q377-R381 WeakPolarHBondContact O-CG 3.23Å; Q377-R381 PolarHBondContact O-N 3.28Å; E378-R381 PolarHBondContact O-N 2.98Å; R381-K383 VanDerWaalsContact C-N 3.32Å; R381-K383 PolarHBondContact O-N 2.88Å; R381-E384 PolarHBondContact O-N 3.48Å; R381-E385 WeakPolarHBondContact O-CB 3.34Å; R381-E385 PolarHBondContact O-N 2.85Å |
| 382 | A | 73.1 | Confident | 75.1 | Confident | 19 Ų | 19 | 83.7 Ų | 83.7 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | E378 K380 E385 A386 | E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 3.22Å; K380-A382 PolarHBondContact O-N 3.29Å; A382-E385 PolarHBondContact O-N 2.93Å; A382-A386 WeakPolarHBondContact O-CB 3.38Å; A382-A386 PolarHBondContact O-N 3.41Å |
| 383 | K | 72.3 | Confident | 75 | Confident | 126 Ų | 126 | 83.7 Ų | 83.7 | 55% | 0.548 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 174.1 | -167.5 | -174.6 | -175.6 | -100.7 | 0 | 112.5 | R379 K380 R381 E385 A386 E387 | R379-K383 PolarHBondContact O-N 3.46Å; K380-K383 PolarHBondContact O-N 3.42Å; R381-K383 VanDerWaalsContact C-N 3.32Å; R381-K383 PolarHBondContact O-N 2.88Å; K383-E385 VanDerWaalsContact C-N 3.27Å; K383-E385 PolarHBondContact O-N 2.97Å; K383-A386 PolarHBondContact O-N 2.71Å; K383-E387 IonicContact NZ-OE1 3.31Å; K383-E387 PolarHBondContact NZ-OE1 3.45Å; K383-E387 PolarHBondContact O-N 2.74Å |
| 384 | E | 77.4 | Confident | 74.8 | Confident | 110 Ų | 110 | 85.1 Ų | 85.1 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 177.5 | -72.6 | 169.7 | -175 | 0 | 0 | 111.6 | K380 R381 R388 | K380-E384 WeakPolarHBondContact CE-OE1 3.3Å; K380-E384 WeakPolarHBondContact CG-OE1 3.44Å; K380-E384 WeakPolarHBondContact O-CG 3.31Å; K380-E384 PolarHBondContact O-N 3.33Å; R381-E384 PolarHBondContact O-N 3.48Å; E384-R388 PolarHBondContact O-N 3.15Å; E384-R388 VanDerWaalsContact O-N 3.16Å |
| 385 | E | 73.7 | Confident | 74.8 | Confident | 73 Ų | 73 | 83.3 Ų | 83.3 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.3 | -42.1 | 172.6 | 179.3 | 147.7 | -101.6 | 0 | 0 | 113.2 | R381 A382 K383 E387 R388 L389 | R381-E385 WeakPolarHBondContact O-CB 3.34Å; R381-E385 PolarHBondContact O-N 2.85Å; A382-E385 PolarHBondContact O-N 2.93Å; K383-E385 VanDerWaalsContact C-N 3.27Å; K383-E385 PolarHBondContact O-N 2.97Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E387 PolarHBondContact O-N 3.42Å; E385-R388 WeakPolarHBondContact O-CB 3.32Å; E385-R388 PolarHBondContact O-N 2.71Å; E385-R388 VanDerWaalsContact O-N 3.1Å; E385-R388 IonicContact OE1-CZ 3.18Å; E385-R388 IonicContact OE1-NH1 2.75Å; E385-R388 PolarHBondContact OE1-NH1 3.13Å; E385-R388 IonicContact OE1-NH2 2.72Å; E385-R388 PolarHBondContact OE1-NH2 2.8Å; E385-L389 HydrophobicContact CG-CD1 4.23Å; E385-L389 WeakPolarHBondContact O-CG 3.29Å; E385-L389 PolarHBondContact O-N 2.86Å |
| 386 | A | 70.4 | Confident | 74.5 | Confident | 20 Ų | 20 | 82.1 Ų | 82.1 | 17% | 0.165 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A382 K383 R388 L389 E390 | A382-A386 WeakPolarHBondContact O-CB 3.38Å; A382-A386 PolarHBondContact O-N 3.41Å; K383-A386 PolarHBondContact O-N 2.71Å; A386-R388 VanDerWaalsContact C-N 3.29Å; A386-R388 PolarHBondContact O-N 2.81Å; A386-L389 PolarHBondContact O-N 3.41Å; A386-E390 PolarHBondContact O-N 2.79Å |
| 387 | E | 74.4 | Confident | 74.3 | Confident | 88 Ų | 88 | 82.7 Ų | 82.7 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.2 | -28 | 173.3 | -74.4 | -174.4 | -153.2 | 0 | 0 | 112.9 | K383 E385 K391 | K383-E387 IonicContact NZ-OE1 3.31Å; K383-E387 PolarHBondContact NZ-OE1 3.45Å; K383-E387 PolarHBondContact O-N 2.74Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E387 PolarHBondContact O-N 3.42Å; E387-K391 WeakPolarHBondContact O-CD 3.41Å; E387-K391 WeakPolarHBondContact O-CG 3.43Å; E387-K391 PolarHBondContact O-N 2.86Å |
| 388 | R | 78.6 | Confident | 74.2 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 49% | 0.494 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.1 | -47.3 | 171.7 | -168.7 | -173 | 75.9 | -128 | -1.8 | 110.9 | E384 E385 A386 K391 E392 | E384-R388 PolarHBondContact O-N 3.15Å; E384-R388 VanDerWaalsContact O-N 3.16Å; E385-R388 WeakPolarHBondContact O-CB 3.32Å; E385-R388 PolarHBondContact O-N 2.71Å; E385-R388 VanDerWaalsContact O-N 3.1Å; E385-R388 IonicContact OE1-CZ 3.18Å; E385-R388 IonicContact OE1-NH1 2.75Å; E385-R388 PolarHBondContact OE1-NH1 3.13Å; E385-R388 IonicContact OE1-NH2 2.72Å; E385-R388 PolarHBondContact OE1-NH2 2.8Å; A386-R388 VanDerWaalsContact C-N 3.29Å; A386-R388 PolarHBondContact O-N 2.81Å; R388-K391 PolarHBondContact O-N 3.09Å; R388-E392 PolarHBondContact O-N 2.97Å; R388-E392 VanDerWaalsContact O-N 3.14Å |
| 389 | L | 73.3 | Confident | 74 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | -179.1 | -69.3 | 170.1 | 0 | 0 | 0 | 112.6 | E385 A386 K391 E392 R393 L431 | E385-L389 HydrophobicContact CG-CD1 4.23Å; E385-L389 WeakPolarHBondContact O-CG 3.29Å; E385-L389 PolarHBondContact O-N 2.86Å; A386-L389 PolarHBondContact O-N 3.41Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 2.88Å; L389-E392 PolarHBondContact O-N 2.98Å; L389-R393 WeakPolarHBondContact O-CB 3.48Å; L389-R393 PolarHBondContact O-N 3.12Å; L389-L431 HydrophobicContact CD2-CD2 4.18Å |
| 390 | E | 72.6 | Confident | 74 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.1 | -33.4 | 175.3 | -179.4 | 60.7 | -137 | 0 | 0 | 112.5 | A386 R393 R394 K435 | A386-E390 PolarHBondContact O-N 2.79Å; E390-R393 IonicContact OE1-CZ 2.66Å; E390-R393 IonicContact OE1-NE 3.97Å; E390-R393 PolarHBondContact OE1-NE 3.44Å; E390-R393 IonicContact OE1-NH2 2.68Å; E390-R393 PolarHBondContact OE1-NH2 3.49Å; E390-R393 IonicContact OE2-NE 2.74Å; E390-R393 PolarHBondContact OE2-NE 3.02Å; E390-R394 WeakPolarHBondContact O-CB 3.4Å; E390-R394 PolarHBondContact O-N 2.88Å; E390-R394 IonicContact OE1-NH2 2.63Å; E390-K435 IonicContact OE2-NZ 3.46Å; E390-K435 PolarHBondContact OE2-NZ 3.47Å |
| 391 | K | 78.3 | Confident | 73.8 | Confident | 143 Ų | 143 | 77.3 Ų | 77.3 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 173 | -71.7 | 165.7 | -173.6 | 158.9 | 0 | 111.3 | E387 R388 L389 R394 A395 | E387-K391 WeakPolarHBondContact O-CD 3.41Å; E387-K391 WeakPolarHBondContact O-CG 3.43Å; E387-K391 PolarHBondContact O-N 2.86Å; R388-K391 PolarHBondContact O-N 3.09Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 2.88Å; K391-R394 PolarHBondContact O-N 3.27Å; K391-A395 PolarHBondContact O-N 2.89Å |
| 392 | E | 74.3 | Confident | 73.6 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 176.5 | -166 | 176.6 | 169 | 0 | 0 | 112 | R388 L389 R394 A395 A396 | R388-E392 PolarHBondContact O-N 2.97Å; R388-E392 VanDerWaalsContact O-N 3.14Å; L389-E392 PolarHBondContact O-N 2.98Å; E392-R394 VanDerWaalsContact C-N 3.34Å; E392-R394 PolarHBondContact O-N 3.33Å; E392-A395 PolarHBondContact O-N 3.39Å; E392-A396 WeakPolarHBondContact O-CB 3.34Å; E392-A396 PolarHBondContact O-N 2.75Å |
| 393 | R | 74 | Confident | 73.3 | Confident | 34 Ų | 34 | 73.7 Ų | 73.7 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 173 | -163.6 | -165.3 | 73.1 | 68.1 | 23.1 | 111 | L389 E390 A396 E397 E432 | L389-R393 WeakPolarHBondContact O-CB 3.48Å; L389-R393 PolarHBondContact O-N 3.12Å; E390-R393 IonicContact OE1-CZ 2.66Å; E390-R393 IonicContact OE1-NE 3.97Å; E390-R393 PolarHBondContact OE1-NE 3.44Å; E390-R393 IonicContact OE1-NH2 2.68Å; E390-R393 PolarHBondContact OE1-NH2 3.49Å; E390-R393 IonicContact OE2-NE 2.74Å; E390-R393 PolarHBondContact OE2-NE 3.02Å; R393-A396 PolarHBondContact O-N 3.44Å; R393-E397 IonicContact CZ-OE2 2.68Å; R393-E397 IonicContact NH1-OE1 3.98Å; R393-E397 IonicContact NH1-OE2 3.25Å; R393-E397 PolarHBondContact NH1-OE2 3.3Å; R393-E397 IonicContact NH2-OE2 2.76Å; R393-E397 PolarHBondContact NH2-OE2 2.89Å; R393-E397 VanDerWaalsContact NH2-OE2 3.12Å; R393-E397 WeakPolarHBondContact O-CB 3.47Å; R393-E397 PolarHBondContact O-N 2.77Å; R393-E432 IonicContact NH1-OE1 2.63Å; R393-E432 PolarHBondContact NH1-OE1 2.72Å |
| 394 | R | 74.9 | Confident | 72.8 | Confident | 137 Ų | 137 | 70 Ų | 70 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.6 | -169.9 | 174.8 | -56.8 | -171 | 1.8 | 112.7 | E390 K391 E392 A396 E397 E398 | E390-R394 WeakPolarHBondContact O-CB 3.4Å; E390-R394 PolarHBondContact O-N 2.88Å; E390-R394 IonicContact OE1-NH2 2.63Å; K391-R394 PolarHBondContact O-N 3.27Å; E392-R394 VanDerWaalsContact C-N 3.34Å; E392-R394 PolarHBondContact O-N 3.33Å; R394-A396 VanDerWaalsContact C-N 3.32Å; R394-A396 PolarHBondContact O-N 3.23Å; R394-E397 PolarHBondContact O-N 3.3Å; R394-E398 WeakPolarHBondContact CG-OE1 3.49Å; R394-E398 WeakPolarHBondContact O-CB 3.5Å; R394-E398 WeakPolarHBondContact O-CG 3.46Å; R394-E398 PolarHBondContact O-N 2.86Å |
| 395 | A | 78.3 | Confident | 72.1 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K391 E392 A399 | K391-A395 PolarHBondContact O-N 2.89Å; E392-A395 PolarHBondContact O-N 3.39Å; A395-A399 WeakPolarHBondContact O-CB 3.4Å; A395-A399 PolarHBondContact O-N 3.16Å |
| 396 | A | 69.3 | Low | 71.5 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 12% | 0.116 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E392 R393 R394 K400 | E392-A396 WeakPolarHBondContact O-CB 3.34Å; E392-A396 PolarHBondContact O-N 2.75Å; R393-A396 PolarHBondContact O-N 3.44Å; R394-A396 VanDerWaalsContact C-N 3.32Å; R394-A396 PolarHBondContact O-N 3.23Å; A396-K400 WeakPolarHBondContact O-CB 3.48Å; A396-K400 PolarHBondContact O-N 3.47Å |
| 397 | E | 69.2 | Low | 70.8 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 176.9 | -173.1 | 151.9 | -128.1 | 0 | 0 | 112.3 | R393 R394 K400 S401 | R393-E397 IonicContact CZ-OE2 2.68Å; R393-E397 IonicContact NH1-OE1 3.98Å; R393-E397 IonicContact NH1-OE2 3.25Å; R393-E397 PolarHBondContact NH1-OE2 3.3Å; R393-E397 IonicContact NH2-OE2 2.76Å; R393-E397 PolarHBondContact NH2-OE2 2.89Å; R393-E397 VanDerWaalsContact NH2-OE2 3.12Å; R393-E397 WeakPolarHBondContact O-CB 3.47Å; R393-E397 PolarHBondContact O-N 2.77Å; R394-E397 PolarHBondContact O-N 3.3Å; E397-K400 PolarHBondContact O-N 3.01Å; E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 3.29Å |
| 398 | E | 75.4 | Confident | 69.9 | Low | 124 Ų | 124 | 74.8 Ų | 74.8 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 170.5 | -73.8 | 171.4 | -167.1 | 0 | 0 | 111.6 | R394 S401 A402 | R394-E398 WeakPolarHBondContact CG-OE1 3.49Å; R394-E398 WeakPolarHBondContact O-CB 3.5Å; R394-E398 WeakPolarHBondContact O-CG 3.46Å; R394-E398 PolarHBondContact O-N 2.86Å; E398-S401 WeakPolarHBondContact O-CB 3.3Å; E398-S401 PolarHBondContact O-N 2.8Å; E398-A402 PolarHBondContact O-N 3.42Å |
| 399 | A | 73.6 | Confident | 68.8 | Low | 39 Ų | 39 | 75.4 Ų | 75.4 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A395 S401 A402 I403 | A395-A399 WeakPolarHBondContact O-CB 3.4Å; A395-A399 PolarHBondContact O-N 3.16Å; A399-S401 VanDerWaalsContact C-N 3.29Å; A399-S401 PolarHBondContact O-N 3.18Å; A399-A402 PolarHBondContact O-N 2.8Å; A399-I403 WeakPolarHBondContact O-CG1 3.44Å; A399-I403 PolarHBondContact O-N 3.17Å |
| 400 | K | 70.8 | Confident | 67.7 | Low | 55 Ų | 55 | 80.8 Ų | 80.8 | 24% | 0.239 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 173.3 | -178.5 | 178.7 | 176.6 | 178.5 | 0 | 111.7 | A396 E397 A404 L421 F424 T425 I428 | A396-K400 WeakPolarHBondContact O-CB 3.48Å; A396-K400 PolarHBondContact O-N 3.47Å; E397-K400 PolarHBondContact O-N 3.01Å; K400-A404 VanDerWaalsContact O-CB 3.23Å; K400-A404 WeakPolarHBondContact O-CB 3.06Å; K400-A404 PolarHBondContact O-N 2.76Å; K400-L421 HydrophobicContact CG-CD2 4.23Å; K400-F424 HydrophobicContact CD-CB 4.41Å; K400-T425 PolarHBondContact NZ-OG1 3.29Å; K400-I428 HydrophobicContact CD-CD1 3.71Å |
| 401 | S | 69.9 | Low | 66.7 | Low | 60 Ų | 60 | 88.2 Ų | 88.2 | 42% | 0.42 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 175.6 | -166.4 | 0 | 0 | 0 | 0 | 112.6 | E397 E398 A399 A404 K405 | E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 3.29Å; E398-S401 WeakPolarHBondContact O-CB 3.3Å; E398-S401 PolarHBondContact O-N 2.8Å; A399-S401 VanDerWaalsContact C-N 3.29Å; A399-S401 PolarHBondContact O-N 3.18Å; S401-A404 PolarHBondContact O-N 2.84Å; S401-K405 WeakPolarHBondContact O-CG 3.08Å; S401-K405 PolarHBondContact O-N 3.38Å |
| 402 | A | 72 | Confident | 65.4 | Low | 56 Ų | 56 | 90.7 Ų | 90.7 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E398 A399 A404 K405 Q406 | E398-A402 PolarHBondContact O-N 3.42Å; A399-A402 PolarHBondContact O-N 2.8Å; A402-A404 VanDerWaalsContact C-N 3.35Å; A402-A404 PolarHBondContact O-N 2.85Å; A402-K405 PolarHBondContact O-N 3.17Å; A402-Q406 PolarHBondContact O-N 2.72Å |
| 403 | I | 66.2 | Low | 64.5 | Low | 40 Ų | 40 | 91.5 Ų | 91.5 | 21% | 0.205 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.5 | -65.3 | 168.4 | 0 | 0 | 0 | 110.6 | A399 K405 Q406 A407 F424 | A399-I403 WeakPolarHBondContact O-CG1 3.44Å; A399-I403 PolarHBondContact O-N 3.17Å; I403-K405 VanDerWaalsContact C-N 3.3Å; I403-K405 PolarHBondContact O-N 3.07Å; I403-Q406 PolarHBondContact O-N 2.96Å; I403-A407 WeakPolarHBondContact O-CB 3.44Å; I403-A407 PolarHBondContact O-N 2.85Å; I403-F424 HydrophobicContact CD1-CD2 4.34Å; I403-F424 HydrophobicContact CD1-CE2 3.64Å; I403-F424 HydrophobicContact CD1-CZ 4.17Å |
| 404 | A | 62.4 | Low | 63.6 | Low | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -29.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K400 S401 A402 | K400-A404 VanDerWaalsContact O-CB 3.23Å; K400-A404 WeakPolarHBondContact O-CB 3.06Å; K400-A404 PolarHBondContact O-N 2.76Å; S401-A404 PolarHBondContact O-N 2.84Å; A402-A404 VanDerWaalsContact C-N 3.35Å; A402-A404 PolarHBondContact O-N 2.85Å |
| 405 | K | 63.7 | Low | 62.7 | Low | 148 Ų | 148 | 100.5 Ų | 100.5 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.3 | -46 | 169.6 | -74.4 | 173.8 | -179.5 | 174.2 | 0 | 111.3 | S401 A402 I403 A407 A408 | S401-K405 WeakPolarHBondContact O-CG 3.08Å; S401-K405 PolarHBondContact O-N 3.38Å; A402-K405 PolarHBondContact O-N 3.17Å; I403-K405 VanDerWaalsContact C-N 3.3Å; I403-K405 PolarHBondContact O-N 3.07Å; K405-A407 PolarHBondContact O-N 3.29Å; K405-A408 WeakPolarHBondContact O-CB 3.49Å; K405-A408 PolarHBondContact O-N 3.18Å |
| 406 | Q | 60.9 | Low | 61.7 | Low | 130 Ų | 130 | 103.8 Ų | 103.8 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.3 | -30.8 | 178.6 | -156.5 | 168.6 | 11.4 | 0 | 0 | 112.3 | A402 I403 | A402-Q406 PolarHBondContact O-N 2.72Å; I403-Q406 PolarHBondContact O-N 2.96Å |
| 407 | A | 54.7 | Low | 61.1 | Low | 33 Ų | 33 | 105.9 Ų | 105.9 | 27% | 0.273 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -29.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I403 K405 D409 L417 | I403-A407 WeakPolarHBondContact O-CB 3.44Å; I403-A407 PolarHBondContact O-N 2.85Å; K405-A407 PolarHBondContact O-N 3.29Å; A407-D409 VanDerWaalsContact C-N 3.31Å; A407-L417 HydrophobicContact CB-CD2 3.45Å; A407-L417 VanDerWaalsContact CB-CD2 3.45Å |
| 408 | A | 56 | Low | 60.7 | Low | 79 Ų | 79 | 104.6 Ų | 104.6 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.9 | -28.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K405 | K405-A408 WeakPolarHBondContact O-CB 3.49Å; K405-A408 PolarHBondContact O-N 3.18Å |
| 409 | D | 54.7 | Low | 60.2 | Low | 144 Ų | 144 | 101.6 Ų | 101.6 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -6.3 | -175.9 | -65.8 | -32.3 | 0 | 0 | 0 | 113.9 | A407 | A407-D409 VanDerWaalsContact C-N 3.31Š|
| 410 | Q | 51.8 | Low | 59.7 | Low | 143 Ų | 143 | 104 Ų | 104 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | trans | -131.5 | 88.5 | -173.4 | -67.4 | -163.7 | -6.8 | 0 | 0 | 114.8 | K412 | Q410-K412 PolarHBondContact O-N 3.45Š| ||
| 411 | M | 50.3 | Low | 59.2 | Low | 194 Ų | 194 | 103.8 Ų | 103.8 | 96% | 0.956 | 56% | 0.559 | S | S | * | * | trans | -74.1 | 56.3 | 172.1 | -64.3 | -167.7 | 76.7 | 0 | 0 | 114 | ||||
| 412 | K | 50.6 | Low | 59.2 | Low | 195 Ų | 195 | 103.8 Ų | 103.8 | 85% | 0.848 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -160.4 | 43.2 | 169 | -126.4 | 171.1 | -172.1 | 179.2 | 0 | 119.9 | Q410 | Q410-K412 PolarHBondContact O-N 3.45Š|
| 413 | N | 56.9 | Low | 59.3 | Low | 106 Ų | 106 | 108 Ų | 108 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | trans | -165.4 | 107.1 | 141.2 | -113.8 | 10.4 | 0 | 0 | 0 | 110.8 | Q416 | N413-Q416 PolarHBondContact ND2-OE1 3.38Š| ||
| 414 | Q | 53.9 | Low | 59.3 | Low | 187 Ų | 187 | 109 Ų | 109 | 87% | 0.874 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -15.7 | -165 | -144.4 | 167.5 | 2 | 0 | 0 | 114.3 | ||
| 415 | E | 56 | Low | 59.7 | Low | 173 Ų | 173 | 109.7 Ų | 109.7 | 81% | 0.808 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -43.6 | -166.8 | -159.2 | 163 | -140.9 | 0 | 0 | 113.2 | A418 A419 | E415-A418 PolarHBondContact O-N 3.31Å; E415-A419 PolarHBondContact O-N 3.31Å |
| 416 | Q | 57.5 | Low | 60.2 | Low | 124 Ų | 124 | 105.2 Ų | 105.2 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 173.8 | -69.1 | 179.7 | -74.5 | 0 | 0 | 112.1 | N413 A418 A419 E420 | N413-Q416 PolarHBondContact ND2-OE1 3.38Å; Q416-A418 VanDerWaalsContact C-N 3.28Å; Q416-A418 PolarHBondContact O-N 2.95Å; Q416-A419 WeakPolarHBondContact O-CB 3.2Å; Q416-A419 PolarHBondContact O-N 2.9Å; Q416-A419 VanDerWaalsContact O-N 3.13Å; Q416-E420 PolarHBondContact O-N 3.08Å |
| 417 | L | 56.7 | Low | 60.8 | Low | 57 Ų | 57 | 103.7 Ų | 103.7 | 30% | 0.298 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -34.7 | 176.6 | -110.4 | 64.6 | 0 | 0 | 0 | 112.6 | A407 L421 | A407-L417 HydrophobicContact CB-CD2 3.45Å; A407-L417 VanDerWaalsContact CB-CD2 3.45Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.43Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.29Å |
| 418 | A | 60.3 | Low | 61.6 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E415 Q416 A422 | E415-A418 PolarHBondContact O-N 3.31Å; Q416-A418 VanDerWaalsContact C-N 3.28Å; Q416-A418 PolarHBondContact O-N 2.95Å; A418-A422 VanDerWaalsContact O-CB 3.26Å; A418-A422 WeakPolarHBondContact O-CB 3.3Å; A418-A422 PolarHBondContact O-N 3Å |
| 419 | A | 65.3 | Low | 62.4 | Low | 62 Ų | 62 | 101.5 Ų | 101.5 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E415 Q416 L421 A422 E423 | E415-A419 PolarHBondContact O-N 3.31Å; Q416-A419 WeakPolarHBondContact O-CB 3.2Å; Q416-A419 PolarHBondContact O-N 2.9Å; Q416-A419 VanDerWaalsContact O-N 3.13Å; A419-L421 PolarHBondContact O-N 3.22Å; A419-A422 WeakPolarHBondContact O-CB 3.49Å; A419-A422 PolarHBondContact O-N 2.82Å; A419-E423 PolarHBondContact O-N 2.82Å |
| 420 | E | 63.5 | Low | 63.5 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.9 | -69.9 | 178.7 | -172.1 | 0 | 0 | 111.9 | Q416 A422 E423 F424 | Q416-E420 PolarHBondContact O-N 3.08Å; E420-A422 VanDerWaalsContact C-N 3.29Å; E420-A422 PolarHBondContact O-N 3.1Å; E420-E423 PolarHBondContact O-N 3.42Å; E420-F424 VanDerWaalsContact O-CD2 3.24Å; E420-F424 WeakPolarHBondContact O-CD2 3.24Å; E420-F424 PolarHBondContact O-N 3.41Å |
| 421 | L | 61.1 | Low | 64.3 | Low | 51 Ų | 51 | 94.6 Ų | 94.6 | 27% | 0.267 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -32.2 | 175.4 | -73.6 | 171.3 | 0 | 0 | 0 | 112.6 | K400 L417 A419 T425 | K400-L421 HydrophobicContact CG-CD2 4.23Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.43Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.29Å; A419-L421 PolarHBondContact O-N 3.22Å; L421-T425 VanDerWaalsContact O-CB 3.31Å; L421-T425 WeakPolarHBondContact O-CB 3.36Å; L421-T425 PolarHBondContact O-N 2.89Å; L421-T425 VanDerWaalsContact O-N 3.12Å; L421-T425 PolarHBondContact O-OG1 3Å |
| 422 | A | 69.3 | Low | 65.2 | Low | 59 Ų | 59 | 89.8 Ų | 89.8 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.7 | -43 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A418 A419 E420 T425 A426 | A418-A422 VanDerWaalsContact O-CB 3.26Å; A418-A422 WeakPolarHBondContact O-CB 3.3Å; A418-A422 PolarHBondContact O-N 3Å; A419-A422 WeakPolarHBondContact O-CB 3.49Å; A419-A422 PolarHBondContact O-N 2.82Å; E420-A422 VanDerWaalsContact C-N 3.29Å; E420-A422 PolarHBondContact O-N 3.1Å; A422-T425 PolarHBondContact O-N 3.33Å; A422-T425 VanDerWaalsContact O-N 3.15Å; A422-A426 PolarHBondContact O-N 3.43Å |
| 423 | E | 73.5 | Confident | 66.3 | Low | 146 Ų | 146 | 87.2 Ų | 87.2 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.7 | -48.5 | 177.2 | -172 | 179.1 | 167.2 | 0 | 0 | 111.7 | A419 E420 T425 A426 K427 | A419-E423 PolarHBondContact O-N 2.82Å; E420-E423 PolarHBondContact O-N 3.42Å; E423-T425 PolarHBondContact O-N 2.85Å; E423-A426 PolarHBondContact O-N 3.46Å; E423-K427 WeakPolarHBondContact O-CB 3.39Å; E423-K427 PolarHBondContact O-N 3Å |
| 424 | F | 66.8 | Low | 66.9 | Low | 59 Ų | 59 | 84.4 Ų | 84.4 | 26% | 0.259 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 173.7 | -79.4 | -67 | 0 | 0 | 0 | 112.5 | K400 I403 E420 I428 | K400-F424 HydrophobicContact CD-CB 4.41Å; I403-F424 HydrophobicContact CD1-CD2 4.34Å; I403-F424 HydrophobicContact CD1-CE2 3.64Å; I403-F424 HydrophobicContact CD1-CZ 4.17Å; E420-F424 VanDerWaalsContact O-CD2 3.24Å; E420-F424 WeakPolarHBondContact O-CD2 3.24Å; E420-F424 PolarHBondContact O-N 3.41Å; F424-I428 WeakPolarHBondContact O-CD1 3.38Å; F424-I428 VanDerWaalsContact O-CG1 3.25Å; F424-I428 WeakPolarHBondContact O-CG1 3.13Å; F424-I428 PolarHBondContact O-N 3.34Å |
| 425 | T | 70.3 | Confident | 67.5 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.2 | -40.3 | 177 | -58.1 | 0 | 0 | 0 | 0 | 112 | K400 L421 A422 E423 I428 A429 | K400-T425 PolarHBondContact NZ-OG1 3.29Å; L421-T425 VanDerWaalsContact O-CB 3.31Å; L421-T425 WeakPolarHBondContact O-CB 3.36Å; L421-T425 PolarHBondContact O-N 2.89Å; L421-T425 VanDerWaalsContact O-N 3.12Å; L421-T425 PolarHBondContact O-OG1 3Å; A422-T425 PolarHBondContact O-N 3.33Å; A422-T425 VanDerWaalsContact O-N 3.15Å; E423-T425 PolarHBondContact O-N 2.85Å; T425-I428 PolarHBondContact O-N 3.13Å; T425-A429 PolarHBondContact O-N 2.81Å |
| 426 | A | 74.3 | Confident | 68.2 | Low | 54 Ų | 54 | 75.5 Ų | 75.5 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A422 E423 A429 L430 | A422-A426 PolarHBondContact O-N 3.43Å; E423-A426 PolarHBondContact O-N 3.46Å; A426-A429 PolarHBondContact O-N 3.11Å; A426-L430 WeakPolarHBondContact O-CG 3.28Å; A426-L430 PolarHBondContact O-N 2.97Å |
| 427 | K | 73.3 | Confident | 68.8 | Low | 98 Ų | 98 | 76.1 Ų | 76.1 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 175.7 | -171 | 174.2 | 179.9 | -178.1 | 0 | 112.3 | E423 L431 | E423-K427 WeakPolarHBondContact O-CB 3.39Å; E423-K427 PolarHBondContact O-N 3Å; K427-L431 HydrophobicContact CG-CD1 4.3Å; K427-L431 VanDerWaalsContact O-CG 3.31Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 2.85Å; K427-L431 VanDerWaalsContact O-N 3.09Å |
| 428 | I | 71.6 | Confident | 69.3 | Low | 13 Ų | 13 | 76.5 Ų | 76.5 | 7% | 0.067 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 174.4 | -71.3 | 164.5 | 0 | 0 | 0 | 110.7 | K400 F424 T425 L430 L431 E432 | K400-I428 HydrophobicContact CD-CD1 3.71Å; F424-I428 WeakPolarHBondContact O-CD1 3.38Å; F424-I428 VanDerWaalsContact O-CG1 3.25Å; F424-I428 WeakPolarHBondContact O-CG1 3.13Å; F424-I428 PolarHBondContact O-N 3.34Å; T425-I428 PolarHBondContact O-N 3.13Å; I428-L430 PolarHBondContact O-N 3.41Å; I428-L431 PolarHBondContact O-N 2.78Å; I428-L431 VanDerWaalsContact O-N 3.12Å; I428-E432 HydrophobicContact CG2-CG 4.38Å; I428-E432 WeakPolarHBondContact O-CG 3.28Å; I428-E432 PolarHBondContact O-N 2.77Å |
| 429 | A | 73.9 | Confident | 69.3 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T425 A426 L431 E432 E433 | T425-A429 PolarHBondContact O-N 2.81Å; A426-A429 PolarHBondContact O-N 3.11Å; A429-L431 VanDerWaalsContact C-N 3.35Å; A429-L431 PolarHBondContact O-N 3.22Å; A429-E432 PolarHBondContact O-N 3.3Å; A429-E433 PolarHBondContact O-N 2.92Å |
| 430 | L | 76.9 | Confident | 69.4 | Low | 117 Ų | 117 | 80.2 Ų | 80.2 | 61% | 0.613 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.8 | -37 | 175.1 | -74.2 | 168.2 | 0 | 0 | 0 | 112.7 | A426 I428 A434 | A426-L430 WeakPolarHBondContact O-CG 3.28Å; A426-L430 PolarHBondContact O-N 2.97Å; I428-L430 PolarHBondContact O-N 3.41Å; L430-A434 VanDerWaalsContact O-CB 3.23Å; L430-A434 WeakPolarHBondContact O-CB 3.36Å; L430-A434 PolarHBondContact O-N 3.21Å |
| 431 | L | 69.6 | Low | 69.7 | Low | 25 Ų | 25 | 79 Ų | 79 | 13% | 0.131 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.2 | -35 | 175 | -73.8 | 169.8 | 0 | 0 | 0 | 112.2 | L389 K427 I428 A429 K435 | L389-L431 HydrophobicContact CD2-CD2 4.18Å; K427-L431 HydrophobicContact CG-CD1 4.3Å; K427-L431 VanDerWaalsContact O-CG 3.31Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 2.85Å; K427-L431 VanDerWaalsContact O-N 3.09Å; I428-L431 PolarHBondContact O-N 2.78Å; I428-L431 VanDerWaalsContact O-N 3.12Å; A429-L431 VanDerWaalsContact C-N 3.35Å; A429-L431 PolarHBondContact O-N 3.22Å; L431-K435 WeakPolarHBondContact O-CB 3.36Å; L431-K435 PolarHBondContact O-N 2.99Å |
| 432 | E | 67.6 | Low | 69.6 | Low | 93 Ų | 93 | 77.9 Ų | 77.9 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 176.5 | -73.1 | 179.5 | 170.1 | 0 | 0 | 112.2 | R393 I428 A429 K435 K436 | R393-E432 IonicContact NH1-OE1 2.63Å; R393-E432 PolarHBondContact NH1-OE1 2.72Å; I428-E432 HydrophobicContact CG2-CG 4.38Å; I428-E432 WeakPolarHBondContact O-CG 3.28Å; I428-E432 PolarHBondContact O-N 2.77Å; A429-E432 PolarHBondContact O-N 3.3Å; E432-K435 PolarHBondContact O-N 2.87Å; E432-K436 WeakPolarHBondContact O-CB 3.13Å; E432-K436 PolarHBondContact O-N 2.99Å |
| 433 | E | 73.4 | Confident | 69.4 | Low | 142 Ų | 142 | 79.4 Ų | 79.4 | 66% | 0.664 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 174.3 | -171.1 | 170 | -159.6 | 0 | 0 | 111.7 | A429 K436 K437 | A429-E433 PolarHBondContact O-N 2.92Å; E433-K436 PolarHBondContact O-N 3.3Å; E433-K437 WeakPolarHBondContact O-CB 3.48Å; E433-K437 PolarHBondContact O-N 3.08Å; E433-K437 VanDerWaalsContact O-N 3.14Å |
| 434 | A | 70.8 | Confident | 69.3 | Low | 46 Ų | 46 | 77.9 Ų | 77.9 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L430 K438 | L430-A434 VanDerWaalsContact O-CB 3.23Å; L430-A434 WeakPolarHBondContact O-CB 3.36Å; L430-A434 PolarHBondContact O-N 3.21Å; A434-K438 PolarHBondContact O-N 2.95Å |
| 435 | K | 66.4 | Low | 69.2 | Low | 51 Ų | 51 | 78.2 Ų | 78.2 | 22% | 0.222 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -52 | 175.3 | 176.4 | -175.4 | 172.1 | -178 | 0 | 111.3 | E390 L431 E432 K437 K438 E439 | E390-K435 IonicContact OE2-NZ 3.46Å; E390-K435 PolarHBondContact OE2-NZ 3.47Å; L431-K435 WeakPolarHBondContact O-CB 3.36Å; L431-K435 PolarHBondContact O-N 2.99Å; E432-K435 PolarHBondContact O-N 2.87Å; K435-K437 VanDerWaalsContact C-N 3.27Å; K435-K437 PolarHBondContact O-N 2.98Å; K435-K438 CarbonylContact O-C 3.53Å; K435-K438 WeakPolarHBondContact O-CA 3.16Å; K435-K438 PolarHBondContact O-N 2.83Å; K435-E439 VanDerWaalsContact CE-CD 3.45Å; K435-E439 WeakPolarHBondContact CE-OE1 3.48Å; K435-E439 WeakPolarHBondContact CE-OE2 3.32Å; K435-E439 HydrophobicContact CG-CG 4.44Å; K435-E439 IonicContact NZ-OE1 3.51Å; K435-E439 PolarHBondContact O-N 3.1Å |
| 436 | K | 69.8 | Low | 68.4 | Low | 123 Ų | 123 | 80.3 Ų | 80.3 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.8 | -46.4 | -178.4 | 178.9 | -178 | 166.2 | -174.4 | 0 | 111 | E432 E433 K438 E439 E440 | E432-K436 WeakPolarHBondContact O-CB 3.13Å; E432-K436 PolarHBondContact O-N 2.99Å; E433-K436 PolarHBondContact O-N 3.3Å; K436-K438 VanDerWaalsContact C-N 3.26Å; K436-K438 PolarHBondContact O-N 2.75Å; K436-E439 PolarHBondContact O-N 2.91Å; K436-E439 VanDerWaalsContact O-N 3.16Å; K436-E440 WeakPolarHBondContact CE-OE1 3.46Å; K436-E440 IonicContact NZ-OE1 3.98Å; K436-E440 WeakPolarHBondContact O-CG 2.88Å; K436-E440 PolarHBondContact O-N 3.11Å |
| 437 | K | 70.7 | Confident | 68.1 | Low | 136 Ų | 136 | 85.2 Ų | 85.2 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.9 | -32.7 | 177.8 | -166.7 | 169.8 | -175.7 | 173.4 | 0 | 113 | E433 K435 E441 | E433-K437 WeakPolarHBondContact O-CB 3.48Å; E433-K437 PolarHBondContact O-N 3.08Å; E433-K437 VanDerWaalsContact O-N 3.14Å; K435-K437 VanDerWaalsContact C-N 3.27Å; K435-K437 PolarHBondContact O-N 2.98Å; K437-E441 WeakPolarHBondContact O-CG 3.31Å; K437-E441 PolarHBondContact O-N 2.83Å; K437-E441 VanDerWaalsContact O-N 3.08Å |
| 438 | K | 66.4 | Low | 67.8 | Low | 66 Ų | 66 | 84.4 Ų | 84.4 | 29% | 0.287 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -79.4 | -29.7 | 174.8 | -70.8 | -63.1 | 178.2 | -154.9 | 0 | 114.2 | A434 K435 K436 E441 A442 | A434-K438 PolarHBondContact O-N 2.95Å; K435-K438 CarbonylContact O-C 3.53Å; K435-K438 WeakPolarHBondContact O-CA 3.16Å; K435-K438 PolarHBondContact O-N 2.83Å; K436-K438 VanDerWaalsContact C-N 3.26Å; K436-K438 PolarHBondContact O-N 2.75Å; K438-E441 WeakPolarHBondContact CD-OE2 3.36Å; K438-E441 IonicContact NZ-OE1 2.93Å; K438-E441 PolarHBondContact NZ-OE1 2.63Å; K438-E441 IonicContact NZ-OE2 2.71Å; K438-E441 PolarHBondContact NZ-OE2 2.73Å; K438-A442 VanDerWaalsContact O-CB 3.27Å; K438-A442 WeakPolarHBondContact O-CB 3.24Å; K438-A442 PolarHBondContact O-N 3.37Å |
| 439 | E | 60.4 | Low | 67.1 | Low | 97 Ų | 97 | 85.1 Ų | 85.1 | 45% | 0.453 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 170.1 | -72.3 | 175.8 | 148.2 | 0 | 0 | 111.5 | K435 K436 A442 T443 | K435-E439 VanDerWaalsContact CE-CD 3.45Å; K435-E439 WeakPolarHBondContact CE-OE1 3.48Å; K435-E439 WeakPolarHBondContact CE-OE2 3.32Å; K435-E439 HydrophobicContact CG-CG 4.44Å; K435-E439 IonicContact NZ-OE1 3.51Å; K435-E439 PolarHBondContact O-N 3.1Å; K436-E439 PolarHBondContact O-N 2.91Å; K436-E439 VanDerWaalsContact O-N 3.16Å; E439-A442 PolarHBondContact O-N 3.21Å; E439-T443 WeakPolarHBondContact O-CG2 3.44Å; E439-T443 PolarHBondContact O-N 3.29Å; E439-T443 PolarHBondContact O-OG1 2.86Å |
| 440 | E | 68.8 | Low | 66.3 | Low | 102 Ų | 102 | 89.6 Ų | 89.6 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 171.3 | -72 | 171.7 | 166.2 | 0 | 0 | 111.5 | K436 A442 T443 E444 | K436-E440 WeakPolarHBondContact CE-OE1 3.46Å; K436-E440 IonicContact NZ-OE1 3.98Å; K436-E440 WeakPolarHBondContact O-CG 2.88Å; K436-E440 PolarHBondContact O-N 3.11Å; E440-A442 PolarHBondContact O-N 2.86Å; E440-T443 PolarHBondContact O-N 3.39Å; E440-T443 PolarHBondContact O-OG1 2.83Å; E440-E444 PolarHBondContact O-N 2.6Å; E440-E444 VanDerWaalsContact O-N 3.14Å |
| 441 | E | 68 | Low | 65.7 | Low | 64 Ų | 64 | 87 Ų | 87 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.3 | -45 | 171.9 | -74.9 | 175.2 | -151.5 | 0 | 0 | 112.4 | K437 K438 T443 E444 W445 | K437-E441 WeakPolarHBondContact O-CG 3.31Å; K437-E441 PolarHBondContact O-N 2.83Å; K437-E441 VanDerWaalsContact O-N 3.08Å; K438-E441 WeakPolarHBondContact CD-OE2 3.36Å; K438-E441 IonicContact NZ-OE1 2.93Å; K438-E441 PolarHBondContact NZ-OE1 2.63Å; K438-E441 IonicContact NZ-OE2 2.71Å; K438-E441 PolarHBondContact NZ-OE2 2.73Å; E441-T443 VanDerWaalsContact C-N 3.34Å; E441-T443 PolarHBondContact O-N 2.9Å; E441-E444 PolarHBondContact O-N 3Å; E441-W445 PolarHBondContact O-N 2.97Å; E441-W445 VanDerWaalsContact O-N 3.1Å |
| 442 | A | 59.4 | Low | 65.1 | Low | 26 Ų | 26 | 87.4 Ų | 87.4 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.5 | -32.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K438 E439 E440 Q446 | K438-A442 VanDerWaalsContact O-CB 3.27Å; K438-A442 WeakPolarHBondContact O-CB 3.24Å; K438-A442 PolarHBondContact O-N 3.37Å; E439-A442 PolarHBondContact O-N 3.21Å; E440-A442 PolarHBondContact O-N 2.86Å; A442-Q446 PolarHBondContact O-N 3.41Å; A442-Q446 VanDerWaalsContact O-N 3.16Å |
| 443 | T | 66.3 | Low | 64.1 | Low | 92 Ų | 92 | 89.9 Ų | 89.9 | 56% | 0.564 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.6 | -35.1 | 175.6 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | E439 E440 E441 Q446 H447 | E439-T443 WeakPolarHBondContact O-CG2 3.44Å; E439-T443 PolarHBondContact O-N 3.29Å; E439-T443 PolarHBondContact O-OG1 2.86Å; E440-T443 PolarHBondContact O-N 3.39Å; E440-T443 PolarHBondContact O-OG1 2.83Å; E441-T443 VanDerWaalsContact C-N 3.34Å; E441-T443 PolarHBondContact O-N 2.9Å; T443-Q446 PolarHBondContact O-N 3.42Å; T443-H447 PolarHBondContact O-N 2.85Å |
| 444 | E | 69.7 | Low | 63.4 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 172 | -157.5 | -164.8 | 141.8 | 0 | 0 | 111.7 | E440 E441 H447 K448 | E440-E444 PolarHBondContact O-N 2.6Å; E440-E444 VanDerWaalsContact O-N 3.14Å; E441-E444 PolarHBondContact O-N 3Å; E444-H447 PolarHBondContact O-N 2.79Å; E444-K448 WeakPolarHBondContact O-CG 3.26Å; E444-K448 PolarHBondContact O-N 3.33Å; E444-K448 WeakPolarHBondContact OE1-CE 3.4Å; E444-K448 IonicContact OE1-NZ 3.12Å; E444-K448 PolarHBondContact OE1-NZ 3.03Å |
| 445 | W | 66.1 | Low | 62.6 | Low | 65 Ų | 65 | 92.5 Ų | 92.5 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.1 | -69.1 | 126.1 | 0 | 0 | 0 | 113.4 | L375 R379 E441 H447 K448 A449 | L375-W445 HydrophobicContact CD1-CE3 4.03Å; L375-W445 HydrophobicContact CD1-CZ3 4.01Å; L375-W445 HydrophobicContact CD2-CD2 4.49Å; L375-W445 HydrophobicContact CD2-CE3 3.63Å; L375-W445 HydrophobicContact CD2-CH2 3.95Å; L375-W445 HydrophobicContact CD2-CZ3 3.32Å; L375-W445 HydrophobicContact CG-CE3 4.3Å; L375-W445 HydrophobicContact CG-CZ3 4.27Å; R379-W445 HydrophobicContact CB-CB 4.47Å; E441-W445 PolarHBondContact O-N 2.97Å; E441-W445 VanDerWaalsContact O-N 3.1Å; W445-H447 VanDerWaalsContact C-N 3.29Å; W445-H447 PolarHBondContact O-N 2.74Å; W445-K448 HydrophobicContact CE3-CD 3.5Å; W445-K448 VanDerWaalsContact CE3-CD 3.5Å; W445-K448 HydrophobicContact CZ3-CD 3.6Å; W445-K448 PolarHBondContact O-N 3.04Å; W445-A449 PolarHBondContact O-N 3.14Å; W445-A449 VanDerWaalsContact O-N 3.15Å |
| 446 | Q | 52.8 | Low | 61.5 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 177.3 | -178.3 | 163.2 | -47.6 | 0 | 0 | 112.4 | A442 T443 | A442-Q446 PolarHBondContact O-N 3.41Å; A442-Q446 VanDerWaalsContact O-N 3.16Å; T443-Q446 PolarHBondContact O-N 3.42Å |
| 447 | H | 68.2 | Low | 60.5 | Low | 158 Ų | 158 | 94.3 Ų | 94.3 | 73% | 0.731 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.8 | -29.2 | 178.7 | -150.1 | -44.5 | 0 | 0 | 0 | 113 | T443 E444 W445 | T443-H447 PolarHBondContact O-N 2.85Å; E444-H447 PolarHBondContact O-N 2.79Å; W445-H447 VanDerWaalsContact C-N 3.29Å; W445-H447 PolarHBondContact O-N 2.74Å |
| 448 | K | 67.3 | Low | 59.7 | Low | 80 Ų | 80 | 96.4 Ų | 96.4 | 35% | 0.348 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.2 | -35.9 | 175.4 | -68.4 | 164.9 | -175.6 | 168.4 | 0 | 112.6 | L375 E444 W445 | L375-K448 HydrophobicContact CD1-CB 4.29Å; E444-K448 WeakPolarHBondContact O-CG 3.26Å; E444-K448 PolarHBondContact O-N 3.33Å; E444-K448 WeakPolarHBondContact OE1-CE 3.4Å; E444-K448 IonicContact OE1-NZ 3.12Å; E444-K448 PolarHBondContact OE1-NZ 3.03Å; W445-K448 HydrophobicContact CE3-CD 3.5Å; W445-K448 VanDerWaalsContact CE3-CD 3.5Å; W445-K448 HydrophobicContact CZ3-CD 3.6Å; W445-K448 PolarHBondContact O-N 3.04Å |
| 449 | A | 55.9 | Low | 58.8 | Low | 28 Ų | 28 | 97.8 Ų | 97.8 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67 | -36.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | W445 | W445-A449 PolarHBondContact O-N 3.14Å; W445-A449 VanDerWaalsContact O-N 3.15Å |
| 450 | F | 58.4 | Low | 58 | Low | 148 Ų | 148 | 100.6 Ų | 100.6 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -41.1 | -176.8 | -166.1 | -92.1 | 0 | 0 | 0 | 112.7 | A452 Q453 | F450-A452 VanDerWaalsContact C-N 3.3Å; F450-A452 PolarHBondContact O-N 2.64Å; F450-Q453 WeakPolarHBondContact O-CB 3.36Å; F450-Q453 PolarHBondContact O-N 3.41Å; F450-Q453 VanDerWaalsContact O-N 3.17Å |
| 451 | A | 64.3 | Low | 56.8 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q453 | A451-Q453 PolarHBondContact O-N 3.13Å; A451-Q453 VanDerWaalsContact O-N 3.17Å |
| 452 | A | 57.2 | Low | 55.5 | Low | 34 Ų | 34 | 110.3 Ų | 110.3 | 28% | 0.281 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.9 | -3.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A372 F450 | A372-A452 HydrophobicContact CB-CB 4.45Å; F450-A452 VanDerWaalsContact C-N 3.3Å; F450-A452 PolarHBondContact O-N 2.64Å |
| 453 | Q | 44.8 | Very low | 54.5 | Low | 144 Ų | 144 | 117.2 Ų | 117.2 | 67% | 0.673 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -100.3 | -22 | -175.4 | -157.6 | 166.6 | 14.7 | 0 | 0 | 113.3 | F450 A451 | F450-Q453 WeakPolarHBondContact O-CB 3.36Å; F450-Q453 PolarHBondContact O-N 3.41Å; F450-Q453 VanDerWaalsContact O-N 3.17Å; A451-Q453 PolarHBondContact O-N 3.13Å; A451-Q453 VanDerWaalsContact O-N 3.17Å |
| 454 | E | 59.9 | Low | 53.1 | Low | 148 Ų | 148 | 122 Ų | 122 | 69% | 0.692 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.3 | -34.4 | -176.3 | -165.6 | 173.5 | 164.2 | 0 | 0 | 112.9 | L456 | E454-L456 PolarHBondContact O-N 2.89Å |
| 455 | D | 54.7 | Low | 51.4 | Low | 95 Ų | 95 | 123.2 Ų | 123.2 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.6 | -17.6 | 179.9 | -75.5 | -36.5 | 0 | 0 | 0 | 113.9 | ||
| 456 | L | 43.3 | Very low | 49.8 | Very low | 58 Ų | 58 | 126.5 Ų | 126.5 | 30% | 0.304 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -20.4 | -169.4 | -172.1 | 141.8 | 0 | 0 | 0 | 114.8 | L365 E454 | L365-L456 HydrophobicContact CD1-CB 4.15Å; L365-L456 HydrophobicContact CD1-CD1 3.87Å; L365-L456 HydrophobicContact CD1-CG 3.98Å; L365-L456 HydrophobicContact CD2-CD1 4.45Å; L365-L456 HydrophobicContact CD2-CG 4.45Å; L365-L456 HydrophobicContact CG-CD1 4.12Å; L365-L456 HydrophobicContact CG-CG 4.49Å; E454-L456 PolarHBondContact O-N 2.89Å |
| 457 | E | 48.6 | Very low | 48.9 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -30.8 | 177 | -63 | -157.5 | 123.4 | 0 | 0 | 112.6 | T459 K460 | E457-T459 PolarHBondContact O-N 3.33Å; E457-T459 VanDerWaalsContact O-N 3.14Å; E457-K460 PolarHBondContact O-N 3.42Å |
| 458 | K | 53.5 | Low | 47.4 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -17.6 | -169.1 | -151.1 | 170.9 | -169.9 | 169.2 | 0 | 115 | ||
| 459 | T | 46.9 | Very low | 45.9 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 5.2 | -175.6 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | E457 | E457-T459 PolarHBondContact O-N 3.33Å; E457-T459 VanDerWaalsContact O-N 3.14Å |
| 460 | K | 42.9 | Very low | 45.2 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -96.1 | -17.4 | -172.6 | -87 | 176.3 | 178.3 | 162.6 | 0 | 117.3 | E457 | E457-K460 PolarHBondContact O-N 3.42Š|
| 461 | E | 45.1 | Very low | 44.4 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -91.5 | -18.7 | -165.2 | -67.7 | -163.8 | 112.1 | 0 | 0 | 116.1 | L463 | E461-L463 PolarHBondContact O-N 3Š|
| 462 | E | 40.5 | Very low | 43.7 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -79.2 | -4.4 | -160.3 | -58.6 | -169 | 129.9 | 0 | 0 | 116.8 | ||
| 463 | L | 39.1 | Very low | 43.5 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -106.6 | 25.2 | -153.4 | -149.3 | 97 | 0 | 0 | 0 | 118 | E461 | E461-L463 PolarHBondContact O-N 3Š| ||
| 464 | K | 35.6 | Very low | 43.4 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -137.4 | 43.9 | -157.8 | -147.6 | -170.5 | 177.3 | -179.1 | 0 | 120.6 | ||||
| 465 | T | 34.7 | Very low | 42.8 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -147.2 | 151.6 | 179.1 | -28.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 466 | V | 33 | Very low | 42.5 | Very low | 134 Ų | 134 | 138 Ų | 138 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | 95.9 | 122.9 | 162.4 | -175.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 467 | M | 32.4 | Very low | 42.6 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | 179.3 | 159 | 142.8 | -104.2 | -171.1 | 81.8 | 0 | 0 | 115.7 | ||||
| 468 | S | 36.8 | Very low | 41.8 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 107.9 | 138.5 | 153.4 | 78 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 469 | A | 36.8 | Very low | 40.8 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -171 | 155.5 | 170 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 470 | P | 40.4 | Very low | 40.6 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -136.3 | 179.8 | 179.1 | 37.1 | -16.8 | 0 | 0 | 0 | 119.8 | ||||
| 471 | P | 41.4 | Very low | 40.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -131.2 | 179.8 | -158.8 | 44.2 | -29.7 | 0 | 0 | 0 | 122.6 | ||||
| 472 | P | 51 | Low | 40.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 0 | 177.5 | 44.5 | -35.1 | 0 | 0 | 0 | 115.8 | ||||
| 473 | P | 52.1 | Low | 39.6 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | 0 | 0 | 0 | 38.7 | -13.6 | 0 | 0 | 0 | 116.5 | |||||
| 474 | P | 43.6 | Very low | 39.2 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | 0 | 0 | 0 | 55.1 | -31.9 | 0 | 0 | 0 | 116.7 | |||||
| 475 | P | 46.1 | Very low | 38.8 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 0 | -98.7 | 0 | 28 | 3.8 | 0 | 0 | 0 | 126.2 | |||||
| 476 | P | 48.2 | Very low | 38.6 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -125.6 | 0 | -143.8 | 41.5 | -18.4 | 0 | 0 | 0 | 116.5 | ||||
| 477 | P | 45.9 | Very low | 38.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | 0 | -158.6 | 0 | 44.9 | -21.2 | 0 | 0 | 0 | 119.7 | |||||
| 478 | V | 31.5 | Very low | 38.5 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | 81.8 | 146.3 | 154.1 | 165.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 479 | I | 32.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | cis | 82.4 | 171.8 | 6.8 | 57.8 | 158.6 | 0 | 0 | 0 | 121.4 | ||||
| 480 | P | 43.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | cis | -118.1 | 0 | -6.4 | 31 | -3.6 | 0 | 0 | 0 | 113.1 | ||||
| 481 | P | 46.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | 0 | -149.3 | 0 | 40.9 | -15.4 | 0 | 0 | 0 | 117.7 | |||||
| 482 | T | 31.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | trans | 90.3 | 153.2 | 165.6 | 70.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 483 | E | 29.6 | Very low | 38 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | cis | -173.2 | 153.8 | -38 | -113.5 | 173.4 | -98.2 | 0 | 0 | 116.5 | ||||
| 484 | N | 29 | Very low | 37.7 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | trans | 64.2 | 164.3 | 149.5 | -55.4 | -23 | 0 | 0 | 0 | 123.1 | ||||
| 485 | E | 28.2 | Very low | 37.6 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | cis | -169 | -178.9 | -23.4 | -107.4 | -72.2 | 27.1 | 0 | 0 | 113.5 | ||||
| 486 | H | 30.1 | Very low | 37.9 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 70% | 0.704 | 67% | 0.669 | S | S | * | * | trans | 78.9 | 155.4 | 161.8 | -75.8 | -67.3 | 0 | 0 | 0 | 121.5 | ||||
| 487 | D | 28.8 | Very low | 38.7 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | cis | -164.7 | -170.6 | -18.9 | -141.9 | -74.5 | 0 | 0 | 0 | 113.5 | ||||
| 488 | E | 34.4 | Very low | 39.9 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 44% | 0.439 | 63% | 0.628 | S | S | . | * | trans | -147.1 | 150.6 | -162.6 | -175 | -160.8 | -78.8 | 0 | 0 | 118.2 | K27 | K27-E488 WeakPolarHBondContact CE-OE1 3.47Å; K27-E488 WeakPolarHBondContact CE-OE2 3.32Å; K27-E488 IonicContact NZ-OE1 3.83Å; K27-E488 PolarHBondContact NZ-OE1 3.22Å; K27-E488 IonicContact NZ-OE2 3.85Å; K27-E488 PolarHBondContact NZ-OE2 2.59Å | ||
| 489 | H | 36.5 | Very low | 41.8 | Very low | 178 Ų | 178 | 118.7 Ų | 118.7 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | trans | -169.8 | 177.7 | 142.7 | -110.9 | -53 | 0 | 0 | 0 | 121.2 | ||||
| 490 | D | 35.7 | Very low | 44 | Very low | 105 Ų | 105 | 112 Ų | 112 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | trans | -158.8 | 163.2 | -147.5 | 164.4 | 49.4 | 0 | 0 | 0 | 115.8 | ||||
| 491 | E | 42.8 | Very low | 45.4 | Very low | 173 Ų | 173 | 109.7 Ų | 109.7 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | trans | -167.1 | 167.9 | 155.9 | -125.4 | -167 | -138.8 | 0 | 0 | 119 | ||||
| 492 | N | 40 | Very low | 46.3 | Very low | 89 Ų | 89 | 107.5 Ų | 107.5 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | trans | -166.7 | 155.9 | -176.3 | -140.4 | -71 | 0 | 0 | 0 | 117.9 | M285 | M285-N492 WeakPolarHBondContact CE-ND2 3.4Š| ||
| 493 | N | 41.1 | Very low | 47.5 | Very low | 139 Ų | 139 | 109.1 Ų | 109.1 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -138.4 | -167.8 | -174.3 | -153.7 | -12.1 | 0 | 0 | 0 | 117 | ||||
| 494 | A | 45.5 | Very low | 48.7 | Very low | 73 Ų | 73 | 105 Ų | 105 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -119.5 | -40 | -153.5 | 0 | 0 | 0 | 0 | 0 | 119 | A496 | A494-A496 VanDerWaalsContact C-N 3.34Å; A494-A496 PolarHBondContact O-N 3.13Å |
| 495 | E | 42.2 | Very low | 50.1 | Low | 156 Ų | 156 | 101 Ų | 101 | 73% | 0.729 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -83.9 | 93.5 | 153.2 | -174.4 | 170.7 | -131.8 | 0 | 0 | 105 | S497 | E495-S497 VanDerWaalsContact C-N 3.33Å; E495-S497 PolarHBondContact O-N 3.19Å |
| 496 | A | 52 | Low | 51.4 | Low | 15 Ų | 15 | 100.1 Ų | 100.1 | 12% | 0.124 | 54% | 0.539 | C | S | . | . | trans | -90.9 | 75.4 | -153.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F250 L281 A494 | F250-A496 HydrophobicContact CE1-CB 4.13Å; F250-A496 HydrophobicContact CZ-CB 4.39Å; L281-A496 HydrophobicContact CD2-CB 3.21Å; L281-A496 WeakPolarHBondContact CD2-O 3.11Å; A494-A496 VanDerWaalsContact C-N 3.34Å; A494-A496 PolarHBondContact O-N 3.13Å | ||
| 497 | S | 65.9 | Low | 52.6 | Low | 72 Ų | 72 | 99.9 Ų | 99.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | trans | -86.7 | 114 | 162.8 | -176 | 0 | 0 | 0 | 0 | 108.6 | N247 I248 E495 | N247-S497 PolarHBondContact ND2-OG 3.21Å; I248-S497 WeakPolarHBondContact O-CA 3.16Å; E495-S497 VanDerWaalsContact C-N 3.33Å; E495-S497 PolarHBondContact O-N 3.19Å | ||
| 498 | A | 70.1 | Confident | 54.1 | Low | 10 Ų | 10 | 98.9 Ų | 98.9 | 8% | 0.083 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 110 | 173 | 0 | 0 | 0 | 0 | 0 | 108.8 | N247 I248 L281 M285 L500 | N247-A498 VanDerWaalsContact CA-O 3.28Å; N247-A498 WeakPolarHBondContact CA-O 3.41Å; N247-A498 VanDerWaalsContact ND2-C 3.28Å; N247-A498 PolarHBondContact ND2-O 2.89Å; I248-A498 PolarHBondContact N-O 3.5Å; I248-A498 PolarHBondContact O-N 3.31Å; L281-A498 HydrophobicContact CD1-CB 4.41Å; M285-A498 HydrophobicContact CE-CB 3.81Å; M285-A498 HydrophobicContact CG-CB 3.76Å; M285-A498 HydrophobicContact SD-CB 3.84Å; A498-L500 HydrophobicContact CB-CD2 4.15Å |
| 499 | E | 72.4 | Confident | 55.8 | Low | 163 Ų | 163 | 98.2 Ų | 98.2 | 76% | 0.762 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.1 | 159.9 | -64.8 | -151.5 | 138.2 | 0 | 0 | 108.8 | ||
| 500 | L | 78.6 | Confident | 57.5 | Low | 16 Ų | 16 | 92.2 Ų | 92.2 | 8% | 0.084 | 51% | 0.505 | C | S | . | . | trans | -101.2 | 104.7 | -174.2 | -60.7 | -171.1 | 0 | 0 | 0 | 108 | I245 R246 I248 H288 A498 N502 | I245-L500 HydrophobicContact CB-CD1 4.28Å; I245-L500 HydrophobicContact CG2-CD1 3.77Å; R246-L500 WeakPolarHBondContact O-CB 3.4Å; R246-L500 PolarHBondContact O-N 2.94Å; I248-L500 HydrophobicContact CD1-CD1 3.84Å; I248-L500 HydrophobicContact CG1-CD1 3.96Å; H288-L500 HydrophobicContact CB-CD1 4.21Å; A498-L500 HydrophobicContact CB-CD2 4.15Å; L500-N502 PolarHBondContact O-N 2.78Å; L500-N502 PolarHBondContact O-ND2 2.85Å | ||
| 501 | S | 71.1 | Confident | 59.4 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | trans | -63 | 127.2 | -177.5 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | E503 | S501-E503 PolarHBondContact OG-N 2.99Š| ||
| 502 | N | 65.7 | Low | 61 | Low | 58 Ų | 58 | 83 Ų | 83 | 31% | 0.31 | 46% | 0.458 | S | S | . | . | trans | -108.6 | 15.2 | 177.5 | -84.4 | -102.4 | 0 | 0 | 0 | 111.5 | I260 M292 L500 | I260-N502 WeakPolarHBondContact CD1-OD1 3.34Å; M292-N502 HydrophobicContact CE-CB 4.2Å; M292-N502 VanDerWaalsContact CE-CG 3.46Å; M292-N502 WeakPolarHBondContact CE-OD1 3.41Å; L500-N502 PolarHBondContact O-N 2.78Å; L500-N502 PolarHBondContact O-ND2 2.85Å | ||
| 503 | E | 58.1 | Low | 63.2 | Low | 151 Ų | 151 | 86 Ų | 86 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 141 | -173.9 | -62.1 | -175.6 | 143.4 | 0 | 0 | 112.6 | K296 S501 V505 | K296-E503 WeakPolarHBondContact CE-O 3.5Å; K296-E503 PolarHBondContact NZ-O 3.02Å; S501-E503 PolarHBondContact OG-N 2.99Å; E503-V505 VanDerWaalsContact C-N 3.29Å; E503-V505 PolarHBondContact O-N 3.05Å |
| 504 | G | 54.8 | Low | 65.5 | Low | 66 Ų | 66 | 80.7 Ų | 80.7 | 68% | 0.68 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 17.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 505 | V | 57.7 | Low | 67.8 | Low | 41 Ų | 41 | 80.1 Ų | 80.1 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | trans | -82.8 | 122.1 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 110 | M292 R295 E503 N507 | M292-V505 HydrophobicContact CE-CG2 3.95Å; M292-V505 HydrophobicContact SD-CG1 4.46Å; M292-V505 HydrophobicContact SD-CG2 3.51Å; M292-V505 VanDerWaalsContact SD-CG2 3.51Å; R295-V505 HydrophobicContact CB-CG1 4.12Å; E503-V505 VanDerWaalsContact C-N 3.29Å; E503-V505 PolarHBondContact O-N 3.05Å; V505-N507 PolarHBondContact O-N 2.84Å | ||
| 506 | M | 55.6 | Low | 70.3 | Confident | 144 Ų | 144 | 73.2 Ų | 73.2 | 71% | 0.709 | 40% | 0.397 | S | S | * | . | trans | -67.6 | 125.7 | 160.8 | -78.5 | -65.8 | -164.4 | 0 | 0 | 108 | R295 H508 | R295-M506 PolarHBondContact O-N 3.5Å; M506-H508 PolarHBondContact O-N 2.82Å | ||
| 507 | N | 54.7 | Low | 72.2 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 79% | 0.786 | 39% | 0.393 | S | S | * | . | trans | -77.7 | 42.8 | -171.9 | -160.7 | 27 | 0 | 0 | 0 | 113.1 | V505 | V505-N507 PolarHBondContact O-N 2.84Š| ||
| 508 | H | 60.3 | Low | 73.4 | Confident | 120 Ų | 120 | 72 Ų | 72 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | trans | -98.4 | 104 | -176.4 | -175.5 | 54.3 | 0 | 0 | 0 | 109.2 | M506 S510 | M506-H508 PolarHBondContact O-N 2.82Å; H508-S510 PolarHBondContact O-N 2.72Å; H508-S510 VanDerWaalsContact O-N 3.14Å | ||
| 509 | R | 71.1 | Confident | 74.4 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | trans | -86.2 | 58.6 | 178.3 | -65.3 | -168.6 | 173.6 | -168.2 | -6.2 | 111.7 | E511 E512 | R509-E511 VanDerWaalsContact C-OE2 3.22Å; R509-E511 VanDerWaalsContact CA-OE2 3.24Å; R509-E511 WeakPolarHBondContact CA-OE2 3.16Å; R509-E511 PolarHBondContact O-N 3.03Å; R509-E512 HydrophobicContact CB-CB 4.42Å; R509-E512 HydrophobicContact CB-CG 4.02Å; R509-E512 WeakPolarHBondContact CD-OE1 3.12Å; R509-E512 WeakPolarHBondContact CD-OE2 3.44Å; R509-E512 IonicContact CZ-OE1 2.85Å; R509-E512 IonicContact NE-OE1 2.67Å; R509-E512 IonicContact NH1-OE1 2.81Å; R509-E512 PolarHBondContact NH1-OE1 2.87Å; R509-E512 WeakPolarHBondContact O-CB 3.24Å; R509-E512 PolarHBondContact O-N 2.72Å | ||
| 510 | S | 71.3 | Confident | 75.4 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -57.3 | -20.4 | 179 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | H508 E512 E513 R514 | H508-S510 PolarHBondContact O-N 2.72Å; H508-S510 VanDerWaalsContact O-N 3.14Å; S510-E512 VanDerWaalsContact C-N 3.26Å; S510-E512 PolarHBondContact O-N 2.9Å; S510-E513 PolarHBondContact O-N 2.86Å; S510-R514 WeakPolarHBondContact O-CG 3.48Å |
| 511 | E | 75.4 | Confident | 76.1 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -65.1 | -25.8 | 172.4 | 75.2 | -86.5 | -151.5 | 0 | 0 | 114 | L223 Y291 R295 R509 | L223-E511 HydrophobicContact CD2-CB 4Å; Y291-E511 WeakPolarHBondContact CE2-OE1 3.38Å; Y291-E511 PolarHBondContact OH-OE1 2.96Å; R295-E511 IonicContact CZ-OE2 2.68Å; R295-E511 IonicContact NE-OE2 3.81Å; R295-E511 VanDerWaalsContact NH2-CD 3.3Å; R295-E511 IonicContact NH2-OE1 2.68Å; R295-E511 IonicContact NH2-OE2 3.78Å; R295-E511 PolarHBondContact NH2-OE2 3.49Å; R509-E511 VanDerWaalsContact C-OE2 3.22Å; R509-E511 VanDerWaalsContact CA-OE2 3.24Å; R509-E511 WeakPolarHBondContact CA-OE2 3.16Å; R509-E511 PolarHBondContact O-N 3.03Å |
| 512 | E | 78.2 | Confident | 77.2 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -78.6 | -22.6 | -179.3 | -67.6 | -177.6 | 168.9 | 0 | 0 | 112.4 | R509 S510 R566 | R509-E512 HydrophobicContact CB-CB 4.42Å; R509-E512 HydrophobicContact CB-CG 4.02Å; R509-E512 WeakPolarHBondContact CD-OE1 3.12Å; R509-E512 WeakPolarHBondContact CD-OE2 3.44Å; R509-E512 IonicContact CZ-OE1 2.85Å; R509-E512 IonicContact NE-OE1 2.67Å; R509-E512 IonicContact NH1-OE1 2.81Å; R509-E512 PolarHBondContact NH1-OE1 2.87Å; R509-E512 WeakPolarHBondContact O-CB 3.24Å; R509-E512 PolarHBondContact O-N 2.72Å; S510-E512 VanDerWaalsContact C-N 3.26Å; S510-E512 PolarHBondContact O-N 2.9Å; E512-R566 VanDerWaalsContact O-CD 3.3Å; E512-R566 WeakPolarHBondContact O-CD 3.42Å; E512-R566 PolarHBondContact O-NH1 3.47Å |
| 513 | E | 84.9 | Confident | 78.5 | Confident | 152 Ų | 152 | 77.1 Ų | 77.1 | 71% | 0.71 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -89.1 | -4.1 | 178.9 | -64 | -174.9 | 167.1 | 0 | 0 | 113.2 | S510 | S510-E513 PolarHBondContact O-N 2.86Š|
| 514 | R | 90.1 | Very high | 80.2 | Confident | 29 Ų | 29 | 70 Ų | 70 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | trans | -63.9 | 142.3 | -171 | -62 | -173.6 | 83.6 | -160.5 | 3.4 | 114.2 | E87 D88 S510 Y562 R566 | E87-R514 PolarHBondContact O-NH1 3.25Å; E87-R514 PolarHBondContact O-NH2 3.47Å; D88-R514 VanDerWaalsContact CB-NH2 3.25Å; D88-R514 IonicContact OD1-NH2 2.69Å; D88-R514 IonicContact OD2-CZ 2.68Å; D88-R514 IonicContact OD2-NE 2.74Å; D88-R514 IonicContact OD2-NH2 2.7Å; D88-R514 PolarHBondContact OD2-NH2 3.37Å; S510-R514 WeakPolarHBondContact O-CG 3.48Å; R514-Y562 HydrophobicContact CB-CD1 3.83Å; R514-Y562 HydrophobicContact CB-CD2 4.2Å; R514-Y562 HydrophobicContact CB-CE1 4.21Å; R514-Y562 HydrophobicContact CB-CG 3.85Å; R514-Y562 VanDerWaalsContact O-CB 3.26Å; R514-Y562 WeakPolarHBondContact O-CB 3.42Å; R514-R566 PolarHBondContact O-NH1 2.61Å; R514-R566 PolarHBondContact O-NH2 3.29Å | ||
| 515 | V | 93.4 | Very high | 82.1 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -129.4 | 150.4 | 177.5 | -72.5 | 0 | 0 | 0 | 0 | 108.6 | Q519 K520 | V515-Q519 HydrophobicContact CB-CB 4.01Å; V515-K520 HydrophobicContact CG2-CG 3.85Å; V515-K520 WeakPolarHBondContact O-CE 3.26Å | ||
| 516 | T | 94.4 | Very high | 84 | Confident | 12 Ų | 12 | 74 Ų | 74 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | trans | -69 | 158.8 | -177.8 | 56.1 | 0 | 0 | 0 | 0 | 112 | D197 T518 Q519 K520 D560 Y562 | D197-T516 HydrophobicContact CB-CG2 4.06Å; D197-T516 WeakPolarHBondContact OD2-CA 3.44Å; D197-T516 WeakPolarHBondContact OD2-CB 2.99Å; T516-T518 PolarHBondContact O-N 2.84Å; T516-Q519 VanDerWaalsContact N-OE1 3.14Å; T516-Q519 CarbonylContact O-C 3.52Å; T516-Q519 WeakPolarHBondContact O-CA 3.44Å; T516-Q519 WeakPolarHBondContact O-CB 3.43Å; T516-Q519 PolarHBondContact O-N 2.83Å; T516-Q519 VanDerWaalsContact OG1-CG 3.28Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.29Å; T516-Q519 PolarHBondContact OG1-N 2.89Å; T516-K520 WeakPolarHBondContact O-CG 3.44Å; T516-K520 PolarHBondContact O-N 2.8Å; T516-D560 HydrophobicContact CG2-CB 4.17Å; T516-Y562 HydrophobicContact CG2-CD2 3.84Å; T516-Y562 HydrophobicContact CG2-CE2 3.88Å | ||
| 517 | E | 93.4 | Very high | 85.9 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.1 | -39.1 | 171 | -172.2 | 58.8 | -154.8 | 0 | 0 | 110.3 | K193 I194 D197 Q519 K520 N521 | K193-E517 HydrophobicContact CB-CG 4.14Å; I194-E517 HydrophobicContact CG1-CG 4.37Å; D197-E517 PolarHBondContact OD2-N 2.87Å; E517-Q519 PolarHBondContact O-N 2.85Å; E517-Q519 VanDerWaalsContact O-N 3.11Å; E517-K520 PolarHBondContact O-N 2.89Å; E517-K520 VanDerWaalsContact O-N 3.1Å; E517-N521 HydrophobicContact CG-CB 4.3Å; E517-N521 WeakPolarHBondContact O-CA 3.47Å; E517-N521 WeakPolarHBondContact O-CB 3.44Å; E517-N521 PolarHBondContact O-N 3.49Å; E517-N521 WeakPolarHBondContact OE1-CB 3.37Å; E517-N521 PolarHBondContact OE1-ND2 2.92Å |
| 518 | T | 90.3 | Very high | 87.8 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.4 | -19.3 | 171.1 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | T516 K525 L528 | T516-T518 PolarHBondContact O-N 2.84Å; T518-K525 HydrophobicContact CG2-CB 4.12Å; T518-K525 HydrophobicContact CG2-CG 4.15Å; T518-K525 WeakPolarHBondContact O-CB 3.48Å; T518-L528 HydrophobicContact CG2-CD1 4.16Å; T518-L528 WeakPolarHBondContact OG1-CD1 3.48Å |
| 519 | Q | 91.1 | Very high | 89.5 | Confident | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -97.7 | -29.7 | 173.9 | -71.9 | 161.3 | 3.9 | 0 | 0 | 112.6 | V515 T516 E517 D560 | V515-Q519 HydrophobicContact CB-CB 4.01Å; T516-Q519 VanDerWaalsContact N-OE1 3.14Å; T516-Q519 CarbonylContact O-C 3.52Å; T516-Q519 WeakPolarHBondContact O-CA 3.44Å; T516-Q519 WeakPolarHBondContact O-CB 3.43Å; T516-Q519 PolarHBondContact O-N 2.83Å; T516-Q519 VanDerWaalsContact OG1-CG 3.28Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.29Å; T516-Q519 PolarHBondContact OG1-N 2.89Å; E517-Q519 PolarHBondContact O-N 2.85Å; E517-Q519 VanDerWaalsContact O-N 3.11Å; Q519-D560 PolarHBondContact NE2-OD2 2.82Å |
| 520 | K | 92.5 | Very high | 90.7 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 46% | 0.457 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75 | -34.6 | 173.8 | -63.3 | 174.6 | -175.4 | 175.8 | 0 | 112.5 | D88 V515 T516 E517 | D88-K520 IonicContact OD2-NZ 3.41Å; V515-K520 HydrophobicContact CG2-CG 3.85Å; V515-K520 WeakPolarHBondContact O-CE 3.26Å; T516-K520 WeakPolarHBondContact O-CG 3.44Å; T516-K520 PolarHBondContact O-N 2.8Å; E517-K520 PolarHBondContact O-N 2.89Å; E517-K520 VanDerWaalsContact O-N 3.1Å |
| 521 | N | 93.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | trans | -126.6 | 96.9 | -159.3 | -172 | -22.5 | 0 | 0 | 0 | 111.8 | E517 R523 V524 K525 | E517-N521 HydrophobicContact CG-CB 4.3Å; E517-N521 WeakPolarHBondContact O-CA 3.47Å; E517-N521 WeakPolarHBondContact O-CB 3.44Å; E517-N521 PolarHBondContact O-N 3.49Å; E517-N521 WeakPolarHBondContact OE1-CB 3.37Å; E517-N521 PolarHBondContact OE1-ND2 2.92Å; N521-R523 PolarHBondContact O-N 2.68Å; N521-R523 VanDerWaalsContact O-N 3.13Å; N521-R523 WeakPolarHBondContact OD1-CB 3.45Å; N521-R523 PolarHBondContact OD1-N 2.77Å; N521-R523 VanDerWaalsContact OD1-N 3.09Å; N521-V524 HydrophobicContact CB-CB 4.29Å; N521-V524 HydrophobicContact CB-CG2 4.34Å; N521-V524 WeakPolarHBondContact ND2-CG2 3.37Å; N521-V524 PolarHBondContact O-N 3.06Å; N521-V524 PolarHBondContact OD1-N 3.08Å; N521-K525 WeakPolarHBondContact O-CB 3.47Å; N521-K525 PolarHBondContact O-N 3.21Å; N521-K525 VanDerWaalsContact O-N 3.08Å | ||
| 522 | E | 93.8 | Very high | 92.9 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -15.5 | 177.9 | -72.9 | -67.5 | 142 | 0 | 0 | 113.9 | K525 K526 | E522-K525 WeakPolarHBondContact OE1-CD 3.3Å; E522-K525 IonicContact OE1-NZ 3.98Å; E522-K525 PolarHBondContact OE1-NZ 3.13Å; E522-K525 IonicContact OE2-NZ 3.66Å; E522-K525 PolarHBondContact OE2-NZ 2.94Å; E522-K526 WeakPolarHBondContact O-CD 3.24Å; E522-K526 VanDerWaalsContact O-CG 3.22Å; E522-K526 WeakPolarHBondContact O-CG 3.26Å; E522-K526 PolarHBondContact O-N 3.46Å |
| 523 | R | 94.1 | Very high | 93.7 | Very high | 105 Ų | 105 | 58.7 Ų | 58.7 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.9 | -60.3 | 171.1 | -169.6 | -174.1 | -174.7 | -167.5 | 0.5 | 109.7 | E178 N521 K525 K526 Q527 | E178-R523 PolarHBondContact O-NH2 3.25Å; E178-R523 IonicContact OE2-CZ 3.92Å; E178-R523 IonicContact OE2-NE 2.84Å; E178-R523 IonicContact OE2-NH2 2.72Å; E178-R523 PolarHBondContact OE2-NH2 3.31Å; N521-R523 PolarHBondContact O-N 2.68Å; N521-R523 VanDerWaalsContact O-N 3.13Å; N521-R523 WeakPolarHBondContact OD1-CB 3.45Å; N521-R523 PolarHBondContact OD1-N 2.77Å; N521-R523 VanDerWaalsContact OD1-N 3.09Å; R523-K525 PolarHBondContact O-N 2.84Å; R523-K526 PolarHBondContact O-N 3.32Å; R523-Q527 HydrophobicContact CG-CG 4.43Å; R523-Q527 WeakPolarHBondContact O-CG 3.33Å; R523-Q527 PolarHBondContact O-N 3.33Å |
| 524 | V | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.4 | -43.4 | -179.8 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L124 I194 N521 K526 Q527 L528 | L124-V524 HydrophobicContact CD2-CG1 4.19Å; I194-V524 HydrophobicContact CD1-CG1 3.93Å; I194-V524 HydrophobicContact CD1-CG2 4.19Å; I194-V524 HydrophobicContact CG1-CG1 4Å; N521-V524 HydrophobicContact CB-CB 4.29Å; N521-V524 HydrophobicContact CB-CG2 4.34Å; N521-V524 WeakPolarHBondContact ND2-CG2 3.37Å; N521-V524 PolarHBondContact O-N 3.06Å; N521-V524 PolarHBondContact OD1-N 3.08Å; V524-K526 PolarHBondContact O-N 3Å; V524-Q527 PolarHBondContact O-N 2.56Å; V524-L528 HydrophobicContact CG1-CD1 4.08Å; V524-L528 HydrophobicContact CG1-CG 4.49Å; V524-L528 WeakPolarHBondContact O-CG 3.14Å; V524-L528 PolarHBondContact O-N 2.91Å |
| 525 | K | 95 | Very high | 94.3 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | 175.1 | -176.8 | -175.5 | 165.2 | -153 | 0 | 113.6 | T518 N521 E522 R523 Q529 | T518-K525 HydrophobicContact CG2-CB 4.12Å; T518-K525 HydrophobicContact CG2-CG 4.15Å; T518-K525 WeakPolarHBondContact O-CB 3.48Å; N521-K525 WeakPolarHBondContact O-CB 3.47Å; N521-K525 PolarHBondContact O-N 3.21Å; N521-K525 VanDerWaalsContact O-N 3.08Å; E522-K525 WeakPolarHBondContact OE1-CD 3.3Å; E522-K525 IonicContact OE1-NZ 3.98Å; E522-K525 PolarHBondContact OE1-NZ 3.13Å; E522-K525 IonicContact OE2-NZ 3.66Å; E522-K525 PolarHBondContact OE2-NZ 2.94Å; R523-K525 PolarHBondContact O-N 2.84Å; K525-Q529 VanDerWaalsContact O-CG 3.3Å; K525-Q529 WeakPolarHBondContact O-CG 3.47Å; K525-Q529 PolarHBondContact O-N 3.38Å; K525-Q529 VanDerWaalsContact O-N 3.11Å |
| 526 | K | 96.3 | Very high | 94.3 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.1 | -37.2 | 177.4 | -72.2 | 170.4 | -172.7 | 175.9 | 0 | 112.1 | E522 R523 V524 Q529 A530 | E522-K526 WeakPolarHBondContact O-CD 3.24Å; E522-K526 VanDerWaalsContact O-CG 3.22Å; E522-K526 WeakPolarHBondContact O-CG 3.26Å; E522-K526 PolarHBondContact O-N 3.46Å; R523-K526 PolarHBondContact O-N 3.32Å; V524-K526 PolarHBondContact O-N 3Å; K526-Q529 PolarHBondContact O-N 3.08Å; K526-A530 WeakPolarHBondContact O-CB 3.16Å; K526-A530 PolarHBondContact O-N 2.72Å |
| 527 | Q | 95.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 176.2 | -63.3 | 176.4 | -65.2 | 0 | 0 | 111.1 | L124 W175 R523 V524 Q529 A530 L531 | L124-Q527 HydrophobicContact CD1-CB 4.12Å; L124-Q527 HydrophobicContact CD2-CB 4.15Å; W175-Q527 HydrophobicContact CE3-CG 4.4Å; W175-Q527 HydrophobicContact CH2-CB 4.2Å; W175-Q527 HydrophobicContact CH2-CG 4.26Å; W175-Q527 HydrophobicContact CZ3-CB 3.92Å; W175-Q527 HydrophobicContact CZ3-CG 3.66Å; R523-Q527 HydrophobicContact CG-CG 4.43Å; R523-Q527 WeakPolarHBondContact O-CG 3.33Å; R523-Q527 PolarHBondContact O-N 3.33Å; V524-Q527 PolarHBondContact O-N 2.56Å; Q527-Q529 PolarHBondContact O-N 2.73Å; Q527-A530 PolarHBondContact O-N 2.75Å; Q527-L531 WeakPolarHBondContact O-CB 3.46Å; Q527-L531 PolarHBondContact O-N 2.67Å |
| 528 | L | 95.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 174.7 | -68.5 | 173.1 | 0 | 0 | 0 | 112.7 | E120 L124 T518 V524 S532 | E120-L528 HydrophobicContact CG-CD2 4.49Å; L124-L528 HydrophobicContact CB-CD2 4.19Å; L124-L528 HydrophobicContact CD2-CD2 3.67Å; L124-L528 HydrophobicContact CD2-CG 3.82Å; T518-L528 HydrophobicContact CG2-CD1 4.16Å; T518-L528 WeakPolarHBondContact OG1-CD1 3.48Å; V524-L528 HydrophobicContact CG1-CD1 4.08Å; V524-L528 HydrophobicContact CG1-CG 4.49Å; V524-L528 WeakPolarHBondContact O-CG 3.14Å; V524-L528 PolarHBondContact O-N 2.91Å; L528-S532 VanDerWaalsContact O-CB 3.3Å; L528-S532 WeakPolarHBondContact O-CB 3.42Å; L528-S532 PolarHBondContact O-N 2.85Å |
| 529 | Q | 95.9 | Very high | 94.3 | Very high | 113 Ų | 113 | 62.5 Ų | 62.5 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 175.8 | -75 | 175.5 | -21 | 0 | 0 | 112.8 | K525 K526 Q527 S533 | K525-Q529 VanDerWaalsContact O-CG 3.3Å; K525-Q529 WeakPolarHBondContact O-CG 3.47Å; K525-Q529 PolarHBondContact O-N 3.38Å; K525-Q529 VanDerWaalsContact O-N 3.11Å; K526-Q529 PolarHBondContact O-N 3.08Å; Q527-Q529 PolarHBondContact O-N 2.73Å; Q529-S533 PolarHBondContact O-N 3.31Å; Q529-S533 PolarHBondContact O-OG 2.62Å |
| 530 | A | 96.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -51.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W175 K526 Q527 S532 S533 E534 | W175-A530 HydrophobicContact CH2-CB 3.86Å; W175-A530 HydrophobicContact CZ2-CB 3.81Å; K526-A530 WeakPolarHBondContact O-CB 3.16Å; K526-A530 PolarHBondContact O-N 2.72Å; Q527-A530 PolarHBondContact O-N 2.75Å; A530-S532 PolarHBondContact O-N 2.97Å; A530-S533 CarbonylContact O-C 3.52Å; A530-S533 WeakPolarHBondContact O-CA 3.45Å; A530-S533 WeakPolarHBondContact O-CB 3.35Å; A530-S533 PolarHBondContact O-N 3.42Å; A530-E534 WeakPolarHBondContact O-CG 3.3Å; A530-E534 PolarHBondContact O-N 3.2Å |
| 531 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 177.3 | -84.8 | 163.4 | 0 | 0 | 0 | 113.3 | E120 V123 L124 W175 Q527 S533 E534 L535 | E120-L531 HydrophobicContact CB-CB 3.89Å; V123-L531 HydrophobicContact CB-CD1 4.41Å; V123-L531 HydrophobicContact CB-CD2 3.82Å; V123-L531 HydrophobicContact CG1-CD1 4.43Å; V123-L531 HydrophobicContact CG1-CD2 3.47Å; V123-L531 VanDerWaalsContact CG1-CD2 3.47Å; L124-L531 HydrophobicContact CB-CD1 3.72Å; L124-L531 HydrophobicContact CD1-CD1 4.43Å; W175-L531 HydrophobicContact CD2-CD1 4.31Å; W175-L531 HydrophobicContact CD2-CG 4.42Å; W175-L531 HydrophobicContact CG-CD1 4.49Å; W175-L531 HydrophobicContact CZ2-CD1 4.48Å; W175-L531 HydrophobicContact CZ2-CG 3.93Å; Q527-L531 WeakPolarHBondContact O-CB 3.46Å; Q527-L531 PolarHBondContact O-N 2.67Å; L531-S533 PolarHBondContact O-N 2.85Å; L531-E534 PolarHBondContact O-N 3.05Å; L531-L535 WeakPolarHBondContact O-CB 3.01Å; L531-L535 VanDerWaalsContact O-CG 3.23Å; L531-L535 WeakPolarHBondContact O-CG 3.39Å; L531-L535 PolarHBondContact O-N 2.95Å |
| 532 | S | 95.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 64.4 Ų | 64.4 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 175.3 | -163.4 | 0 | 0 | 0 | 0 | 111.5 | L528 A530 A536 | L528-S532 VanDerWaalsContact O-CB 3.3Å; L528-S532 WeakPolarHBondContact O-CB 3.42Å; L528-S532 PolarHBondContact O-N 2.85Å; A530-S532 PolarHBondContact O-N 2.97Å; S532-A536 VanDerWaalsContact O-CB 3.31Å; S532-A536 WeakPolarHBondContact O-CB 3.05Å; S532-A536 PolarHBondContact O-N 3.31Å |
| 533 | S | 95.3 | Very high | 94.5 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74 | -39.9 | 177.2 | -53.1 | 0 | 0 | 0 | 0 | 113.2 | Q529 A530 L531 | Q529-S533 PolarHBondContact O-N 3.31Å; Q529-S533 PolarHBondContact O-OG 2.62Å; A530-S533 CarbonylContact O-C 3.52Å; A530-S533 WeakPolarHBondContact O-CA 3.45Å; A530-S533 WeakPolarHBondContact O-CB 3.35Å; A530-S533 PolarHBondContact O-N 3.42Å; L531-S533 PolarHBondContact O-N 2.85Å |
| 534 | E | 94 | Very high | 94.5 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.9 | -74.3 | 166.7 | -155.3 | 0 | 0 | 112.6 | W175 A530 L531 | W175-E534 WeakPolarHBondContact CZ2-OE1 3.47Å; W175-E534 PolarHBondContact NE1-OE2 3.39Å; W175-E534 VanDerWaalsContact NE1-OE2 3.16Å; A530-E534 WeakPolarHBondContact O-CG 3.3Å; A530-E534 PolarHBondContact O-N 3.2Å; L531-E534 PolarHBondContact O-N 3.05Å |
| 535 | L | 94.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -82.1 | -29.6 | -176.4 | -63.1 | 177 | 0 | 0 | 0 | 112.6 | P119 E120 V123 L163 W168 L531 Q537 A538 R539 | P119-L535 HydrophobicContact CB-CD1 4.23Å; E120-L535 HydrophobicContact CB-CD1 4.48Å; V123-L535 HydrophobicContact CG2-CD1 4.05Å; L163-L535 HydrophobicContact CD1-CD2 4.33Å; W168-L535 HydrophobicContact CH2-CD2 3.82Å; W168-L535 HydrophobicContact CZ3-CD2 3.59Å; L531-L535 WeakPolarHBondContact O-CB 3.01Å; L531-L535 VanDerWaalsContact O-CG 3.23Å; L531-L535 WeakPolarHBondContact O-CG 3.39Å; L531-L535 PolarHBondContact O-N 2.95Å; L535-Q537 PolarHBondContact O-N 3.1Å; L535-A538 PolarHBondContact O-N 2.68Å; L535-R539 PolarHBondContact O-N 2.85Å; L535-R539 VanDerWaalsContact O-N 3.17Å |
| 536 | A | 93.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 67.9 Ų | 67.9 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -53.8 | -37.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S532 A538 R539 | S532-A536 VanDerWaalsContact O-CB 3.31Å; S532-A536 WeakPolarHBondContact O-CB 3.05Å; S532-A536 PolarHBondContact O-N 3.31Å; A536-A538 VanDerWaalsContact C-N 3.28Å; A536-A538 PolarHBondContact O-N 2.77Å; A536-R539 PolarHBondContact O-N 3.34Å |
| 537 | Q | 90.6 | Very high | 94.7 | Very high | 183 Ų | 183 | 64 Ų | 64 | 86% | 0.855 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.4 | 179.7 | -58.8 | -175.5 | 18.7 | 0 | 0 | 113.4 | L535 | L535-Q537 PolarHBondContact O-N 3.1Š|
| 538 | A | 93.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -3.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H161 K162 L163 L535 A536 | H161-A538 CarbonylContact C-O 3.52Å; H161-A538 WeakPolarHBondContact CA-O 3.48Å; H161-A538 HydrophobicContact CB-CB 4.48Å; K162-A538 PolarHBondContact N-O 3.06Å; L163-A538 HydrophobicContact CD1-CB 4.16Å; L163-A538 HydrophobicContact CD2-CB 3.62Å; L163-A538 HydrophobicContact CG-CB 3.75Å; L535-A538 PolarHBondContact O-N 2.68Å; A536-A538 VanDerWaalsContact C-N 3.28Å; A536-A538 PolarHBondContact O-N 2.77Å |
| 539 | R | 94.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 137.6 | -172.7 | -162.8 | 175.1 | -165.4 | 167.2 | 5.9 | 112.2 | Q160 L535 A536 | Q160-R539 VanDerWaalsContact OE1-NE 3.09Å; L535-R539 PolarHBondContact O-N 2.85Å; L535-R539 VanDerWaalsContact O-N 3.17Å; A536-R539 PolarHBondContact O-N 3.34Å |
| 540 | D | 93.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | trans | -97.9 | 97.8 | 169.7 | -158.9 | -29.3 | 0 | 0 | 0 | 110.3 | Q160 K162 T542 K543 | Q160-D540 PolarHBondContact O-N 2.93Å; K162-D540 VanDerWaalsContact CE-CG 3.41Å; K162-D540 WeakPolarHBondContact CE-OD2 3.43Å; K162-D540 IonicContact NZ-OD1 2.62Å; K162-D540 IonicContact NZ-OD2 3.84Å; K162-D540 PolarHBondContact NZ-OD2 3.38Å; D540-T542 PolarHBondContact O-N 2.95Å; D540-T542 VanDerWaalsContact O-N 3.08Å; D540-T542 WeakPolarHBondContact OD1-CB 3.18Å; D540-T542 PolarHBondContact OD1-N 2.96Å; D540-T542 VanDerWaalsContact OD1-N 3.13Å; D540-T542 PolarHBondContact OD1-OG1 3.12Å; D540-K543 HydrophobicContact CB-CB 4.44Å; D540-K543 HydrophobicContact CB-CD 4.08Å; D540-K543 HydrophobicContact CB-CG 4.16Å; D540-K543 PolarHBondContact O-N 2.91Å | ||
| 541 | E | 92 | Very high | 94.9 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -54.4 | -26.1 | 177.9 | -70.8 | -69.1 | 116.8 | 0 | 0 | 113.4 | K543 K544 | E541-K543 PolarHBondContact O-N 3.13Å; E541-K544 WeakPolarHBondContact OE1-CE 3.5Å; E541-K544 IonicContact OE1-NZ 3.15Å; E541-K544 PolarHBondContact OE1-NZ 3.36Å; E541-K544 WeakPolarHBondContact OE2-CE 3.39Å; E541-K544 IonicContact OE2-NZ 3.4Å; E541-K544 PolarHBondContact OE2-NZ 2.93Å |
| 542 | T | 93.6 | Very high | 94.9 | Very high | 123 Ų | 123 | 64 Ų | 64 | 76% | 0.755 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -73.1 | -13.4 | 179.4 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | D540 | D540-T542 PolarHBondContact O-N 2.95Å; D540-T542 VanDerWaalsContact O-N 3.08Å; D540-T542 WeakPolarHBondContact OD1-CB 3.18Å; D540-T542 PolarHBondContact OD1-N 2.96Å; D540-T542 VanDerWaalsContact OD1-N 3.13Å; D540-T542 PolarHBondContact OD1-OG1 3.12Å |
| 543 | K | 95.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -109 | 9.9 | -174 | -61.4 | -175.3 | -176.8 | -174 | 0 | 114.3 | E159 Q160 D540 E541 T545 | E159-K543 WeakPolarHBondContact O-CD 3.43Å; E159-K543 WeakPolarHBondContact O-CE 3.38Å; E159-K543 PolarHBondContact O-NZ 3.34Å; Q160-K543 HydrophobicContact CB-CB 4.07Å; D540-K543 HydrophobicContact CB-CB 4.44Å; D540-K543 HydrophobicContact CB-CD 4.08Å; D540-K543 HydrophobicContact CB-CG 4.16Å; D540-K543 PolarHBondContact O-N 2.91Å; E541-K543 PolarHBondContact O-N 3.13Å; K543-T545 PolarHBondContact O-N 2.91Å |
| 544 | K | 93.9 | Very high | 95 | Very high | 66 Ų | 66 | 63 Ų | 63 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -61.1 | 126.1 | 175 | -77 | 178.8 | 172.2 | 168.9 | 0 | 110.6 | E541 D548 V549 | E541-K544 WeakPolarHBondContact OE1-CE 3.5Å; E541-K544 IonicContact OE1-NZ 3.15Å; E541-K544 PolarHBondContact OE1-NZ 3.36Å; E541-K544 WeakPolarHBondContact OE2-CE 3.39Å; E541-K544 IonicContact OE2-NZ 3.4Å; E541-K544 PolarHBondContact OE2-NZ 2.93Å; K544-D548 HydrophobicContact CB-CB 4.38Å; K544-D548 HydrophobicContact CG-CB 4.48Å; K544-V549 HydrophobicContact CB-CG2 4.32Å | ||
| 545 | T | 96.3 | Very high | 95 | Very high | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | trans | -80.2 | 165.2 | 170.9 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | R156 K543 N547 D548 V549 | R156-T545 WeakPolarHBondContact CD-OG1 3.25Å; R156-T545 HydrophobicContact CG-CG2 3.82Å; K543-T545 PolarHBondContact O-N 2.91Å; T545-N547 PolarHBondContact O-N 2.73Å; T545-D548 VanDerWaalsContact CB-OD2 3.31Å; T545-D548 WeakPolarHBondContact CB-OD2 3.46Å; T545-D548 PolarHBondContact N-OD2 2.86Å; T545-D548 PolarHBondContact O-N 2.91Å; T545-D548 PolarHBondContact OG1-N 3.17Å; T545-D548 PolarHBondContact OG1-OD2 2.92Å; T545-V549 PolarHBondContact O-N 2.88Å; T545-V549 VanDerWaalsContact O-N 3.13Å | ||
| 546 | Q | 95.8 | Very high | 95.1 | Very high | 116 Ų | 116 | 73 Ų | 73 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52.8 | -39 | 174.9 | -178.3 | 168.8 | -0.6 | 0 | 0 | 112.7 | D231 V549 L550 | D231-Q546 PolarHBondContact O-NE2 3.18Å; Q546-V549 PolarHBondContact O-N 2.98Å; Q546-L550 HydrophobicContact CG-CD1 4.04Å; Q546-L550 WeakPolarHBondContact O-CG 3.44Å; Q546-L550 PolarHBondContact O-N 2.97Å |
| 547 | N | 97 | Very high | 95.1 | Very high | 49 Ų | 49 | 72.7 Ų | 72.7 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.1 | -35 | 177.1 | -69.5 | -2.9 | 0 | 0 | 0 | 112.4 | Y116 L234 T545 V549 L550 H551 | Y116-N547 HydrophobicContact CD2-CB 3.39Å; Y116-N547 HydrophobicContact CE2-CB 3.66Å; Y116-N547 HydrophobicContact CG-CB 4Å; L234-N547 HydrophobicContact CD1-CB 4.21Å; L234-N547 WeakPolarHBondContact CD1-O 3.37Å; T545-N547 PolarHBondContact O-N 2.73Å; N547-V549 VanDerWaalsContact C-N 3.27Å; N547-V549 PolarHBondContact O-N 3.49Å; N547-L550 PolarHBondContact O-N 2.8Å; N547-H551 VanDerWaalsContact O-CB 3.26Å; N547-H551 WeakPolarHBondContact O-CB 3.44Å; N547-H551 PolarHBondContact O-N 2.99Å |
| 548 | D | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.5 | -31.4 | 174.4 | -55.8 | -69.4 | 0 | 0 | 0 | 112 | Y116 R156 Q160 K544 T545 A552 | Y116-D548 WeakPolarHBondContact CE2-OD1 3.3Å; Y116-D548 PolarHBondContact OH-OD1 3.47Å; R156-D548 IonicContact CZ-OD1 2.77Å; R156-D548 IonicContact NH1-OD1 3.26Å; R156-D548 PolarHBondContact NH1-OD1 2.86Å; Q160-D548 PolarHBondContact NE2-OD1 3.15Å; Q160-D548 VanDerWaalsContact NE2-OD1 3.16Å; K544-D548 HydrophobicContact CB-CB 4.38Å; K544-D548 HydrophobicContact CG-CB 4.48Å; T545-D548 VanDerWaalsContact CB-OD2 3.31Å; T545-D548 WeakPolarHBondContact CB-OD2 3.46Å; T545-D548 PolarHBondContact N-OD2 2.86Å; T545-D548 PolarHBondContact O-N 2.91Å; T545-D548 PolarHBondContact OG1-N 3.17Å; T545-D548 PolarHBondContact OG1-OD2 2.92Å; D548-A552 VanDerWaalsContact O-CB 3.3Å; D548-A552 WeakPolarHBondContact O-CB 3.42Å; D548-A552 PolarHBondContact O-N 3.21Å |
| 549 | V | 96.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 69.2 Ų | 69.2 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73 | -52.4 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | K544 T545 Q546 N547 H551 A552 E553 | K544-V549 HydrophobicContact CB-CG2 4.32Å; T545-V549 PolarHBondContact O-N 2.88Å; T545-V549 VanDerWaalsContact O-N 3.13Å; Q546-V549 PolarHBondContact O-N 2.98Å; N547-V549 VanDerWaalsContact C-N 3.27Å; N547-V549 PolarHBondContact O-N 3.49Å; V549-H551 VanDerWaalsContact C-N 3.3Å; V549-H551 PolarHBondContact O-N 2.82Å; V549-A552 PolarHBondContact O-N 3.26Å; V549-A552 VanDerWaalsContact O-N 3.12Å; V549-E553 PolarHBondContact O-N 2.84Å |
| 550 | L | 96.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 179 | -72.1 | 167.6 | 0 | 0 | 0 | 112.1 | D232 L234 Q546 N547 E553 N554 | D232-L550 HydrophobicContact CB-CD1 3.97Å; D232-L550 HydrophobicContact CB-CD2 4.13Å; L234-L550 HydrophobicContact CD1-CB 4Å; Q546-L550 HydrophobicContact CG-CD1 4.04Å; Q546-L550 WeakPolarHBondContact O-CG 3.44Å; Q546-L550 PolarHBondContact O-N 2.97Å; N547-L550 PolarHBondContact O-N 2.8Å; L550-E553 PolarHBondContact O-N 3.35Å; L550-N554 PolarHBondContact O-N 2.97Å |
| 551 | H | 97.3 | Very high | 95.7 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 13% | 0.134 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 175.8 | -175.5 | 77.9 | 0 | 0 | 0 | 112.1 | Y116 E199 L234 N547 V549 E553 N554 V555 | Y116-H551 HydrophobicContact CE1-CB 3.58Å; Y116-H551 AromaticContact CE1-CG 3.59Å; Y116-H551 AromaticContact CE1-ND1 3.85Å; E199-H551 IonicContact OE1-CE1 2.72Å; E199-H551 IonicContact OE1-CG 2.69Å; E199-H551 IonicContact OE1-ND1 3.15Å; E199-H551 PolarHBondContact OE1-ND1 2.79Å; E199-H551 IonicContact OE2-ND1 2.89Å; L234-H551 HydrophobicContact CD1-CB 3.87Å; N547-H551 VanDerWaalsContact O-CB 3.26Å; N547-H551 WeakPolarHBondContact O-CB 3.44Å; N547-H551 PolarHBondContact O-N 2.99Å; V549-H551 VanDerWaalsContact C-N 3.3Å; V549-H551 PolarHBondContact O-N 2.82Å; H551-E553 VanDerWaalsContact C-N 3.28Å; H551-E553 PolarHBondContact O-N 3.39Å; H551-N554 WeakPolarHBondContact O-CB 3.37Å; H551-N554 PolarHBondContact O-N 3.25Å; H551-N554 VanDerWaalsContact O-N 3.13Å; H551-V555 WeakPolarHBondContact O-CG2 3.43Å; H551-V555 PolarHBondContact O-N 2.82Å |
| 552 | A | 96 | Very high | 95.8 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D548 V549 K556 | D548-A552 VanDerWaalsContact O-CB 3.3Å; D548-A552 WeakPolarHBondContact O-CB 3.42Å; D548-A552 PolarHBondContact O-N 3.21Å; V549-A552 PolarHBondContact O-N 3.26Å; V549-A552 VanDerWaalsContact O-N 3.12Å; A552-K556 WeakPolarHBondContact O-CB 3.31Å; A552-K556 PolarHBondContact O-N 2.87Å |
| 553 | E | 96.5 | Very high | 95.9 | Very high | 109 Ų | 109 | 60.6 Ų | 60.6 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 172.1 | -71.1 | -174 | 179.8 | 0 | 0 | 112.7 | V549 L550 H551 K556 A557 | V549-E553 PolarHBondContact O-N 2.84Å; L550-E553 PolarHBondContact O-N 3.35Å; H551-E553 VanDerWaalsContact C-N 3.28Å; H551-E553 PolarHBondContact O-N 3.39Å; E553-K556 PolarHBondContact O-N 2.88Å; E553-A557 VanDerWaalsContact O-CB 3.26Å; E553-A557 WeakPolarHBondContact O-CB 3.39Å; E553-A557 PolarHBondContact O-N 2.88Å |
| 554 | N | 96.7 | Very high | 96 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -51.5 | 173.2 | -76.2 | -20.9 | 0 | 0 | 0 | 111.6 | T235 L550 H551 K556 A557 G558 R559 | T235-N554 WeakPolarHBondContact CG2-OD1 3.46Å; T235-N554 PolarHBondContact OG1-ND2 3.45Å; T235-N554 PolarHBondContact OG1-OD1 2.97Å; L550-N554 PolarHBondContact O-N 2.97Å; H551-N554 WeakPolarHBondContact O-CB 3.37Å; H551-N554 PolarHBondContact O-N 3.25Å; H551-N554 VanDerWaalsContact O-N 3.13Å; N554-K556 PolarHBondContact O-N 2.95Å; N554-A557 CarbonylContact O-C 3.48Å; N554-A557 PolarHBondContact O-N 2.94Å; N554-A557 VanDerWaalsContact O-N 3.17Å; N554-G558 PolarHBondContact O-N 3.38Å; N554-R559 HydrophobicContact CB-CB 4.25Å; N554-R559 WeakPolarHBondContact O-CB 3.45Å; N554-R559 PolarHBondContact O-N 3.24Å; N554-R559 PolarHBondContact OD1-NE 3.12Å; N554-R559 PolarHBondContact OD1-NH2 3.41Å |
| 555 | V | 95.1 | Very high | 96.1 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | H551 A557 G558 | H551-V555 WeakPolarHBondContact O-CG2 3.43Å; H551-V555 PolarHBondContact O-N 2.82Å; V555-A557 VanDerWaalsContact C-N 3.28Å; V555-A557 PolarHBondContact O-N 2.92Å; V555-G558 PolarHBondContact O-N 3.38Å |
| 556 | K | 95.5 | Very high | 96 | Very high | 191 Ų | 191 | 55.1 Ų | 55.1 | 83% | 0.83 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -32.9 | 176.4 | -177.1 | 179.7 | 177.3 | -175.9 | 0 | 112.9 | A552 E553 N554 G558 | A552-K556 WeakPolarHBondContact O-CB 3.31Å; A552-K556 PolarHBondContact O-N 2.87Å; E553-K556 PolarHBondContact O-N 2.88Å; N554-K556 PolarHBondContact O-N 2.95Å; K556-G558 PolarHBondContact O-N 2.75Å |
| 557 | A | 94.9 | Very high | 96 | Very high | 57 Ų | 57 | 55 Ų | 55 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E553 N554 V555 R559 | E553-A557 VanDerWaalsContact O-CB 3.26Å; E553-A557 WeakPolarHBondContact O-CB 3.39Å; E553-A557 PolarHBondContact O-N 2.88Å; N554-A557 CarbonylContact O-C 3.48Å; N554-A557 PolarHBondContact O-N 2.94Å; N554-A557 VanDerWaalsContact O-N 3.17Å; V555-A557 VanDerWaalsContact C-N 3.28Å; V555-A557 PolarHBondContact O-N 2.92Å; A557-R559 HydrophobicContact CB-CG 4.06Å; A557-R559 PolarHBondContact O-N 2.77Å |
| 558 | G | 94.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 12 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N554 V555 K556 K563 | N554-G558 PolarHBondContact O-N 3.38Å; V555-G558 PolarHBondContact O-N 3.38Å; K556-G558 PolarHBondContact O-N 2.75Å; G558-K563 WeakPolarHBondContact O-CD 3.46Å; G558-K563 PolarHBondContact O-NZ 3.15Å |
| 559 | R | 96 | Very high | 95.8 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 32% | 0.317 | 28% | 0.284 | S | S | . | . | trans | -75.1 | 146.1 | 179.1 | -64.2 | -167.3 | -70.4 | -104.7 | 5.1 | 110.5 | N554 A557 | N554-R559 HydrophobicContact CB-CB 4.25Å; N554-R559 WeakPolarHBondContact O-CB 3.45Å; N554-R559 PolarHBondContact O-N 3.24Å; N554-R559 PolarHBondContact OD1-NE 3.12Å; N554-R559 PolarHBondContact OD1-NH2 3.41Å; A557-R559 HydrophobicContact CB-CG 4.06Å; A557-R559 PolarHBondContact O-N 2.77Å | ||
| 560 | D | 95.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | trans | -142.1 | 174.8 | 166.9 | 60.2 | 58.2 | 0 | 0 | 0 | 108.6 | T516 Q519 Y562 K563 T564 | T516-D560 HydrophobicContact CG2-CB 4.17Å; Q519-D560 PolarHBondContact NE2-OD2 2.82Å; D560-Y562 PolarHBondContact O-N 3.43Å; D560-Y562 PolarHBondContact OD1-N 3.12Å; D560-Y562 VanDerWaalsContact OD1-N 3.13Å; D560-K563 PolarHBondContact O-N 2.81Å; D560-K563 WeakPolarHBondContact OD1-CB 3.42Å; D560-K563 WeakPolarHBondContact OD1-CG 3.23Å; D560-K563 PolarHBondContact OD1-N 2.92Å; D560-K563 WeakPolarHBondContact OD2-CD 3.42Å; D560-K563 VanDerWaalsContact OD2-CE 3.24Å; D560-K563 WeakPolarHBondContact OD2-CE 3.46Å; D560-K563 WeakPolarHBondContact OD2-CG 3.39Å; D560-K563 IonicContact OD2-NZ 2.67Å; D560-K563 PolarHBondContact OD2-NZ 3.29Å; D560-T564 VanDerWaalsContact O-CB 3.29Å; D560-T564 WeakPolarHBondContact O-CB 3.13Å; D560-T564 PolarHBondContact O-N 3.14Å; D560-T564 PolarHBondContact O-OG1 2.76Å | ||
| 561 | K | 96.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52 | -51.4 | -176.9 | -171.4 | 169.8 | -172.1 | 166.6 | 0 | 112.6 | Q196 D197 L198 Y201 T564 L565 | Q196-K561 PolarHBondContact O-NZ 3.49Å; D197-K561 WeakPolarHBondContact O-CB 3.36Å; D197-K561 WeakPolarHBondContact O-CD 3.32Å; L198-K561 PolarHBondContact O-NZ 3.21Å; Y201-K561 PolarHBondContact O-NZ 2.86Å; K561-T564 PolarHBondContact O-N 2.74Å; K561-L565 HydrophobicContact CG-CD1 4.24Å; K561-L565 WeakPolarHBondContact O-CB 3.43Å; K561-L565 VanDerWaalsContact O-CG 3.26Å; K561-L565 WeakPolarHBondContact O-CG 3.49Å; K561-L565 PolarHBondContact O-N 3.42Å |
| 562 | Y | 95.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -79.2 | -34.5 | -174.3 | -51.2 | -62.4 | 0 | 0 | 0 | 113.1 | D197 L223 R514 T516 D560 T564 L565 R566 | D197-Y562 WeakPolarHBondContact OD1-CE2 3.4Å; D197-Y562 VanDerWaalsContact OD1-CZ 3.28Å; D197-Y562 PolarHBondContact OD1-OH 3.18Å; L223-Y562 HydrophobicContact CD1-CE1 4.45Å; R514-Y562 HydrophobicContact CB-CD1 3.83Å; R514-Y562 HydrophobicContact CB-CD2 4.2Å; R514-Y562 HydrophobicContact CB-CE1 4.21Å; R514-Y562 HydrophobicContact CB-CG 3.85Å; R514-Y562 VanDerWaalsContact O-CB 3.26Å; R514-Y562 WeakPolarHBondContact O-CB 3.42Å; T516-Y562 HydrophobicContact CG2-CD2 3.84Å; T516-Y562 HydrophobicContact CG2-CE2 3.88Å; D560-Y562 PolarHBondContact O-N 3.43Å; D560-Y562 PolarHBondContact OD1-N 3.12Å; D560-Y562 VanDerWaalsContact OD1-N 3.13Å; Y562-T564 VanDerWaalsContact C-N 3.34Å; Y562-L565 HydrophobicContact CD1-CD1 4.35Å; Y562-L565 PolarHBondContact O-N 3.15Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 WeakPolarHBondContact O-CG 3.24Å; Y562-R566 PolarHBondContact O-N 3.25Å; Y562-R566 PolarHBondContact O-NE 2.98Å |
| 563 | K | 95.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 169.4 | -72.9 | -169.9 | -158.8 | 110.3 | 0 | 111.6 | G558 D560 R566 Q567 | G558-K563 WeakPolarHBondContact O-CD 3.46Å; G558-K563 PolarHBondContact O-NZ 3.15Å; D560-K563 PolarHBondContact O-N 2.81Å; D560-K563 WeakPolarHBondContact OD1-CB 3.42Å; D560-K563 WeakPolarHBondContact OD1-CG 3.23Å; D560-K563 PolarHBondContact OD1-N 2.92Å; D560-K563 WeakPolarHBondContact OD2-CD 3.42Å; D560-K563 VanDerWaalsContact OD2-CE 3.24Å; D560-K563 WeakPolarHBondContact OD2-CE 3.46Å; D560-K563 WeakPolarHBondContact OD2-CG 3.39Å; D560-K563 IonicContact OD2-NZ 2.67Å; D560-K563 PolarHBondContact OD2-NZ 3.29Å; K563-R566 PolarHBondContact O-N 2.93Å; K563-Q567 WeakPolarHBondContact O-CB 2.81Å; K563-Q567 PolarHBondContact O-N 3.16Å |
| 564 | T | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -46.2 | 178.7 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | T235 P236 D560 K561 Y562 R566 Q567 I568 | T235-T564 HydrophobicContact CG2-CG2 3.99Å; P236-T564 HydrophobicContact CG-CG2 4.25Å; D560-T564 VanDerWaalsContact O-CB 3.29Å; D560-T564 WeakPolarHBondContact O-CB 3.13Å; D560-T564 PolarHBondContact O-N 3.14Å; D560-T564 PolarHBondContact O-OG1 2.76Å; K561-T564 PolarHBondContact O-N 2.74Å; Y562-T564 VanDerWaalsContact C-N 3.34Å; T564-R566 PolarHBondContact O-N 3.14Å; T564-Q567 PolarHBondContact O-N 3.08Å; T564-Q567 VanDerWaalsContact O-N 3.12Å; T564-I568 HydrophobicContact CG2-CG2 4.33Å; T564-I568 WeakPolarHBondContact O-CG1 3.37Å; T564-I568 WeakPolarHBondContact O-CG2 3.46Å; T564-I568 PolarHBondContact O-N 2.95Å |
| 565 | L | 95.5 | Very high | 95 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 173.9 | -74 | 170.6 | 0 | 0 | 0 | 112.6 | L223 N226 K561 Y562 I568 R569 | L223-L565 HydrophobicContact CD1-CD1 3.74Å; N226-L565 WeakPolarHBondContact OD1-CD2 3.28Å; K561-L565 HydrophobicContact CG-CD1 4.24Å; K561-L565 WeakPolarHBondContact O-CB 3.43Å; K561-L565 VanDerWaalsContact O-CG 3.26Å; K561-L565 WeakPolarHBondContact O-CG 3.49Å; K561-L565 PolarHBondContact O-N 3.42Å; Y562-L565 HydrophobicContact CD1-CD1 4.35Å; Y562-L565 PolarHBondContact O-N 3.15Å; L565-I568 HydrophobicContact CD2-CD1 4.28Å; L565-R569 WeakPolarHBondContact O-CB 3.43Å; L565-R569 VanDerWaalsContact O-CD 3.23Å; L565-R569 WeakPolarHBondContact O-CD 3.37Å; L565-R569 WeakPolarHBondContact O-CG 3.26Å; L565-R569 PolarHBondContact O-N 3.1Å |
| 566 | R | 95.1 | Very high | 95.1 | Very high | 79 Ų | 79 | 58.5 Ų | 58.5 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 171.9 | -83 | -178.7 | -78.9 | -90.2 | -1.4 | 111.9 | E512 R514 Y562 K563 T564 R569 Q570 | E512-R566 VanDerWaalsContact O-CD 3.3Å; E512-R566 WeakPolarHBondContact O-CD 3.42Å; E512-R566 PolarHBondContact O-NH1 3.47Å; R514-R566 PolarHBondContact O-NH1 2.61Å; R514-R566 PolarHBondContact O-NH2 3.29Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 WeakPolarHBondContact O-CG 3.24Å; Y562-R566 PolarHBondContact O-N 3.25Å; Y562-R566 PolarHBondContact O-NE 2.98Å; K563-R566 PolarHBondContact O-N 2.93Å; T564-R566 PolarHBondContact O-N 3.14Å; R566-R569 PolarHBondContact O-N 3.15Å; R566-Q570 WeakPolarHBondContact O-CG 3.26Å |
| 567 | Q | 95.5 | Very high | 95.1 | Very high | 115 Ų | 115 | 49.6 Ų | 49.6 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -49 | -177 | -175 | 177.1 | 0.2 | 0 | 0 | 112.1 | K563 T564 R569 Q570 | K563-Q567 WeakPolarHBondContact O-CB 2.81Å; K563-Q567 PolarHBondContact O-N 3.16Å; T564-Q567 PolarHBondContact O-N 3.08Å; T564-Q567 VanDerWaalsContact O-N 3.12Å; Q567-R569 PolarHBondContact O-N 3.4Å; Q567-Q570 WeakPolarHBondContact O-CB 3.47Å; Q567-Q570 WeakPolarHBondContact O-CG 3.28Å; Q567-Q570 PolarHBondContact O-N 3.31Å |
| 568 | I | 95.1 | Very high | 95 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.2 | -4.9 | -176 | 71.4 | 178.9 | 0 | 0 | 0 | 114.5 | P236 K237 G239 T564 L565 R576 | P236-I568 HydrophobicContact CB-CD1 3.69Å; P236-I568 HydrophobicContact CG-CD1 3.69Å; P236-I568 WeakPolarHBondContact O-CG2 3.42Å; K237-I568 VanDerWaalsContact C-CG2 3.49Å; K237-I568 VanDerWaalsContact O-CG2 3.31Å; K237-I568 WeakPolarHBondContact O-CG2 3.16Å; G239-I568 PolarHBondContact N-O 3.49Å; T564-I568 HydrophobicContact CG2-CG2 4.33Å; T564-I568 WeakPolarHBondContact O-CG1 3.37Å; T564-I568 WeakPolarHBondContact O-CG2 3.46Å; T564-I568 PolarHBondContact O-N 2.95Å; L565-I568 HydrophobicContact CD2-CD1 4.28Å; I568-R576 VanDerWaalsContact O-CD 3.22Å; I568-R576 WeakPolarHBondContact O-CD 3.39Å |
| 569 | R | 95.5 | Very high | 95 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -2.1 | 175.1 | -69.1 | 172.4 | -175.6 | -156.4 | -8.3 | 112.4 | L223 L565 R566 Q567 R576 | L223-R569 PolarHBondContact O-NH1 3.41Å; L223-R569 PolarHBondContact O-NH2 3.25Å; L565-R569 WeakPolarHBondContact O-CB 3.43Å; L565-R569 VanDerWaalsContact O-CD 3.23Å; L565-R569 WeakPolarHBondContact O-CD 3.37Å; L565-R569 WeakPolarHBondContact O-CG 3.26Å; L565-R569 PolarHBondContact O-N 3.1Å; R566-R569 PolarHBondContact O-N 3.15Å; Q567-R569 PolarHBondContact O-N 3.4Å; R569-R576 PolarHBondContact O-NE 2.96Å; R569-R576 PolarHBondContact O-NH2 3.45Å |
| 570 | Q | 91.9 | Very high | 95 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 61% | 0.612 | 24% | 0.237 | S | C | * | . | trans | -64.4 | 162.4 | 173.8 | -65.7 | -177.7 | 5.6 | 0 | 0 | 111.6 | R566 Q567 R576 | R566-Q570 WeakPolarHBondContact O-CG 3.26Å; Q567-Q570 WeakPolarHBondContact O-CB 3.47Å; Q567-Q570 WeakPolarHBondContact O-CG 3.28Å; Q567-Q570 PolarHBondContact O-N 3.31Å; Q570-R576 VanDerWaalsContact O-CD 3.25Å; Q570-R576 WeakPolarHBondContact O-CD 3.41Å; Q570-R576 PolarHBondContact O-NE 3.22Å | ||
| 571 | G | 92 | Very high | 94.9 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 71.9 | 168.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R576 | G571-R576 PolarHBondContact O-NE 3.05Å; G571-R576 PolarHBondContact O-NH2 2.89Å |
| 572 | N | 93.1 | Very high | 94.6 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | trans | -77.6 | 161.2 | 176.4 | 61.6 | 65.6 | 0 | 0 | 0 | 111.4 | K574 Q575 R576 | N572-K574 PolarHBondContact O-N 3.23Å; N572-K574 WeakPolarHBondContact OD1-CB 3.25Å; N572-K574 PolarHBondContact OD1-N 3.17Å; N572-Q575 WeakPolarHBondContact O-CB 3.22Å; N572-Q575 PolarHBondContact O-N 3.23Å; N572-Q575 PolarHBondContact OD1-N 2.86Å; N572-R576 PolarHBondContact O-N 3.27Å | ||
| 573 | T | 94.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -31.2 | -176.7 | -42 | 0 | 0 | 0 | 0 | 112.9 | F240 E244 P259 I577 | F240-T573 HydrophobicContact CD1-CG2 3.9Å; F240-T573 HydrophobicContact CE1-CG2 3.85Å; E244-T573 PolarHBondContact OE2-OG1 3.03Å; P259-T573 HydrophobicContact CB-CG2 3.94Å; T573-I577 HydrophobicContact CG2-CD1 4.17Å; T573-I577 WeakPolarHBondContact O-CD1 3.28Å; T573-I577 VanDerWaalsContact O-CG1 3.26Å; T573-I577 WeakPolarHBondContact O-CG1 3.36Å; T573-I577 PolarHBondContact O-N 3.14Å; T573-I577 VanDerWaalsContact O-N 3.15Å |
| 574 | K | 94.9 | Very high | 93.4 | Very high | 93 Ų | 93 | 52 Ų | 52 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 173.3 | 176.7 | -177.1 | -176.3 | -58.1 | 0 | 111.6 | A264 P265 N572 R576 I577 D578 | A264-K574 HydrophobicContact CB-CB 4.24Å; P265-K574 HydrophobicContact CG-CG 4.29Å; N572-K574 PolarHBondContact O-N 3.23Å; N572-K574 WeakPolarHBondContact OD1-CB 3.25Å; N572-K574 PolarHBondContact OD1-N 3.17Å; K574-R576 VanDerWaalsContact C-N 3.33Å; K574-R576 PolarHBondContact O-N 3.31Å; K574-I577 PolarHBondContact O-N 2.84Å; K574-I577 VanDerWaalsContact O-N 3.1Å; K574-D578 IonicContact NZ-OD1 3.51Å; K574-D578 IonicContact NZ-OD2 2.6Å; K574-D578 PolarHBondContact NZ-OD2 3.34Å; K574-D578 PolarHBondContact O-N 3.06Å |
| 575 | Q | 95.4 | Very high | 91.6 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 179.1 | -177.6 | -168.4 | -30.5 | 0 | 0 | 111 | N572 I577 D578 E579 | N572-Q575 WeakPolarHBondContact O-CB 3.22Å; N572-Q575 PolarHBondContact O-N 3.23Å; N572-Q575 PolarHBondContact OD1-N 2.86Å; Q575-I577 VanDerWaalsContact C-N 3.27Å; Q575-I577 PolarHBondContact O-N 3.43Å; Q575-D578 PolarHBondContact O-N 2.93Å; Q575-D578 VanDerWaalsContact O-N 3.15Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.3Å; Q575-E579 PolarHBondContact NE2-OE1 3.06Å; Q575-E579 WeakPolarHBondContact O-CB 3.48Å; Q575-E579 WeakPolarHBondContact O-CG 3.38Å; Q575-E579 PolarHBondContact O-N 2.84Å |
| 576 | R | 96.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -27.8 | 178.7 | -77.4 | -179.3 | -88 | 122.8 | -2.4 | 113.6 | I238 G239 F240 E244 I568 R569 Q570 G571 N572 K574 F580 | I238-R576 HydrophobicContact CG2-CB 3.8Å; I238-R576 HydrophobicContact CG2-CG 4.13Å; G239-R576 WeakPolarHBondContact O-CD 3.34Å; G239-R576 PolarHBondContact O-NH1 3.14Å; F240-R576 HydrophobicContact CE1-CB 3.69Å; F240-R576 HydrophobicContact CZ-CB 3.86Å; E244-R576 IonicContact OE1-CZ 2.74Å; E244-R576 IonicContact OE1-NH1 3.27Å; E244-R576 PolarHBondContact OE1-NH1 3.12Å; E244-R576 IonicContact OE1-NH2 3.64Å; E244-R576 PolarHBondContact OE1-NH2 2.98Å; E244-R576 IonicContact OE2-CZ 3.57Å; E244-R576 IonicContact OE2-NH1 3.66Å; E244-R576 PolarHBondContact OE2-NH1 3.32Å; E244-R576 IonicContact OE2-NH2 2.81Å; E244-R576 PolarHBondContact OE2-NH2 3.13Å; E244-R576 VanDerWaalsContact OE2-NH2 3.15Å; I568-R576 VanDerWaalsContact O-CD 3.22Å; I568-R576 WeakPolarHBondContact O-CD 3.39Å; R569-R576 PolarHBondContact O-NE 2.96Å; R569-R576 PolarHBondContact O-NH2 3.45Å; Q570-R576 VanDerWaalsContact O-CD 3.25Å; Q570-R576 WeakPolarHBondContact O-CD 3.41Å; Q570-R576 PolarHBondContact O-NE 3.22Å; G571-R576 PolarHBondContact O-NE 3.05Å; G571-R576 PolarHBondContact O-NH2 2.89Å; N572-R576 PolarHBondContact O-N 3.27Å; K574-R576 VanDerWaalsContact C-N 3.33Å; K574-R576 PolarHBondContact O-N 3.31Å; R576-F580 PolarHBondContact O-N 3.35Å; R576-F580 VanDerWaalsContact O-N 3.16Å |
| 577 | I | 95.9 | Very high | 87.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.8 | -39.5 | 172.3 | -65.6 | 166.6 | 0 | 0 | 0 | 111.6 | F240 P265 F267 T573 K574 Q575 E579 F580 E581 | F240-I577 HydrophobicContact CE1-CG1 3.96Å; F240-I577 HydrophobicContact CZ-CG1 3.84Å; P265-I577 HydrophobicContact CG-CB 4.24Å; P265-I577 HydrophobicContact CG-CD1 4.14Å; P265-I577 HydrophobicContact CG-CG2 3.94Å; P265-I577 WeakPolarHBondContact O-CD1 3.42Å; F267-I577 HydrophobicContact CB-CD1 3.77Å; F267-I577 HydrophobicContact CB-CG1 3.94Å; F267-I577 HydrophobicContact CD2-CG1 4.32Å; F267-I577 HydrophobicContact CG-CG1 4.44Å; T573-I577 HydrophobicContact CG2-CD1 4.17Å; T573-I577 WeakPolarHBondContact O-CD1 3.28Å; T573-I577 VanDerWaalsContact O-CG1 3.26Å; T573-I577 WeakPolarHBondContact O-CG1 3.36Å; T573-I577 PolarHBondContact O-N 3.14Å; T573-I577 VanDerWaalsContact O-N 3.15Å; K574-I577 PolarHBondContact O-N 2.84Å; K574-I577 VanDerWaalsContact O-N 3.1Å; Q575-I577 VanDerWaalsContact C-N 3.27Å; Q575-I577 PolarHBondContact O-N 3.43Å; I577-E579 VanDerWaalsContact C-N 3.3Å; I577-E579 PolarHBondContact O-N 3.33Å; I577-F580 PolarHBondContact O-N 3.04Å; I577-E581 PolarHBondContact O-N 3.36Å; I577-E581 VanDerWaalsContact O-N 3.08Å |
| 578 | D | 93.1 | Very high | 85.5 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 173.9 | -64.1 | -35.9 | 0 | 0 | 0 | 110.7 | K574 Q575 E581 A582 | K574-D578 IonicContact NZ-OD1 3.51Å; K574-D578 IonicContact NZ-OD2 2.6Å; K574-D578 PolarHBondContact NZ-OD2 3.34Å; K574-D578 PolarHBondContact O-N 3.06Å; Q575-D578 PolarHBondContact O-N 2.93Å; Q575-D578 VanDerWaalsContact O-N 3.15Å; D578-E581 PolarHBondContact O-N 3.13Å; D578-A582 WeakPolarHBondContact O-CB 3.48Å; D578-A582 PolarHBondContact O-N 3.03Å |
| 579 | E | 94.6 | Very high | 83.6 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 173.6 | -74.2 | 165.5 | -178.4 | 0 | 0 | 112 | I238 Q575 I577 E581 A582 M583 | I238-E579 HydrophobicContact CD1-CB 3.9Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.3Å; Q575-E579 PolarHBondContact NE2-OE1 3.06Å; Q575-E579 WeakPolarHBondContact O-CB 3.48Å; Q575-E579 WeakPolarHBondContact O-CG 3.38Å; Q575-E579 PolarHBondContact O-N 2.84Å; I577-E579 VanDerWaalsContact C-N 3.3Å; I577-E579 PolarHBondContact O-N 3.33Å; E579-E581 PolarHBondContact O-N 3.25Å; E579-A582 CarbonylContact O-C 3.59Å; E579-A582 WeakPolarHBondContact O-CA 3.4Å; E579-A582 VanDerWaalsContact O-CB 3.29Å; E579-A582 WeakPolarHBondContact O-CB 3.32Å; E579-A582 PolarHBondContact O-N 2.85Å; E579-M583 WeakPolarHBondContact O-CG 3.37Å; E579-M583 PolarHBondContact O-N 3.08Å |
| 580 | F | 96 | Very high | 81.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 175.9 | 168.4 | -96.8 | 0 | 0 | 0 | 112.7 | I208 N210 L216 I227 I238 F267 V268 F269 R576 I577 A582 M583 | I208-F580 HydrophobicContact CD1-CE2 4.08Å; I208-F580 HydrophobicContact CD1-CZ 4.33Å; N210-F580 HydrophobicContact CB-CD1 4.03Å; N210-F580 HydrophobicContact CB-CE1 3.35Å; N210-F580 HydrophobicContact CB-CE2 4.11Å; N210-F580 HydrophobicContact CB-CZ 3.41Å; N210-F580 VanDerWaalsContact CB-CZ 3.41Å; N210-F580 PolarHBondContact ND2-O 3.16Å; L216-F580 HydrophobicContact CD1-CD2 4.02Å; L216-F580 HydrophobicContact CD1-CE2 3.56Å; L216-F580 HydrophobicContact CD1-CZ 4.33Å; I227-F580 HydrophobicContact CD1-CD2 4.48Å; I227-F580 HydrophobicContact CD1-CE2 4.36Å; I227-F580 HydrophobicContact CG1-CD2 4.13Å; I227-F580 HydrophobicContact CG1-CE2 4.47Å; I227-F580 HydrophobicContact CG2-CD2 3.99Å; I227-F580 HydrophobicContact CG2-CE2 4.12Å; I238-F580 VanDerWaalsContact CD1-CA 3.45Å; I238-F580 HydrophobicContact CD1-CB 3.78Å; I238-F580 VanDerWaalsContact CD1-N 3.3Å; F267-F580 HydrophobicContact CD2-CD1 4.09Å; F267-F580 HydrophobicContact CD2-CE1 4.31Å; F267-F580 HydrophobicContact CD2-CG 4.4Å; F267-F580 HydrophobicContact CE2-CB 4.44Å; F267-F580 AromaticContact CE2-CD1 3.6Å; F267-F580 HydrophobicContact CE2-CD1 3.6Å; F267-F580 AromaticContact CE2-CD2 3.83Å; F267-F580 HydrophobicContact CE2-CD2 3.83Å; F267-F580 AromaticContact CE2-CE1 3.65Å; F267-F580 HydrophobicContact CE2-CE1 3.65Å; F267-F580 AromaticContact CE2-CE2 3.87Å; F267-F580 HydrophobicContact CE2-CE2 3.87Å; F267-F580 AromaticContact CE2-CG 3.68Å; F267-F580 HydrophobicContact CE2-CG 3.68Å; F267-F580 AromaticContact CE2-CZ 3.78Å; F267-F580 HydrophobicContact CE2-CZ 3.78Å; F267-F580 HydrophobicContact CZ-CD2 4.39Å; F267-F580 HydrophobicContact CZ-CE2 4.22Å; F267-F580 HydrophobicContact CZ-CZ 4.32Å; V268-F580 WeakPolarHBondContact O-CE1 3.29Å; F269-F580 HydrophobicContact CB-CE1 4.47Å; F269-F580 HydrophobicContact CB-CZ 3.88Å; R576-F580 PolarHBondContact O-N 3.35Å; R576-F580 VanDerWaalsContact O-N 3.16Å; I577-F580 PolarHBondContact O-N 3.04Å; F580-A582 VanDerWaalsContact C-N 3.27Å; F580-M583 WeakPolarHBondContact O-CB 3.35Å; F580-M583 PolarHBondContact O-N 3.48Å |
| 581 | E | 93 | Very high | 79.8 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.9 | -21.1 | 173.9 | -60.9 | -65.4 | -175.2 | 0 | 0 | 111.8 | K211 K212 I577 D578 E579 | K211-E581 VanDerWaalsContact CB-OE2 3.3Å; K211-E581 WeakPolarHBondContact CB-OE2 3.18Å; K211-E581 WeakPolarHBondContact CD-OE1 3.34Å; K211-E581 WeakPolarHBondContact CE-OE1 3.49Å; K211-E581 VanDerWaalsContact CG-OE1 3.28Å; K211-E581 WeakPolarHBondContact CG-OE1 3.12Å; K211-E581 PolarHBondContact N-OE2 3.05Å; K211-E581 IonicContact NZ-OE1 3.76Å; K211-E581 PolarHBondContact NZ-OE1 3.29Å; K212-E581 VanDerWaalsContact CD-O 3.28Å; K212-E581 WeakPolarHBondContact CD-O 3.26Å; K212-E581 WeakPolarHBondContact CE-O 3.34Å; K212-E581 PolarHBondContact NZ-O 2.95Å; I577-E581 PolarHBondContact O-N 3.36Å; I577-E581 VanDerWaalsContact O-N 3.08Å; D578-E581 PolarHBondContact O-N 3.13Å; E579-E581 PolarHBondContact O-N 3.25Å |
| 582 | A | 92 | Very high | 78.2 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.3 | -31.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K212 D578 E579 F580 W584 | K212-A582 PolarHBondContact NZ-O 3.47Å; D578-A582 WeakPolarHBondContact O-CB 3.48Å; D578-A582 PolarHBondContact O-N 3.03Å; E579-A582 CarbonylContact O-C 3.59Å; E579-A582 WeakPolarHBondContact O-CA 3.4Å; E579-A582 VanDerWaalsContact O-CB 3.29Å; E579-A582 WeakPolarHBondContact O-CB 3.32Å; E579-A582 PolarHBondContact O-N 2.85Å; F580-A582 VanDerWaalsContact C-N 3.27Å; A582-W584 PolarHBondContact O-N 2.87Å; A582-W584 PolarHBondContact O-NE1 3.42Å; A582-W584 VanDerWaalsContact O-NE1 3.13Å |
| 583 | M | 90.1 | Very high | 76.3 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | trans | -51.6 | 126.2 | -176.9 | -60.6 | -173.1 | 83.1 | 0 | 0 | 113.6 | N210 T214 L216 I227 E229 K237 I238 E579 F580 | N210-M583 PolarHBondContact ND2-O 3.34Å; N210-M583 VanDerWaalsContact ND2-O 3.08Å; T214-M583 PolarHBondContact OG1-O 2.89Å; L216-M583 HydrophobicContact CD1-CB 4.41Å; L216-M583 HydrophobicContact CD1-SD 3.92Å; L216-M583 HydrophobicContact CD2-CB 4.47Å; L216-M583 HydrophobicContact CD2-CE 3.66Å; L216-M583 HydrophobicContact CD2-SD 3.92Å; I227-M583 HydrophobicContact CG2-SD 4.08Å; E229-M583 HydrophobicContact CG-CE 3.53Å; K237-M583 HydrophobicContact CB-CE 4.21Å; K237-M583 HydrophobicContact CG-CE 4.09Å; I238-M583 HydrophobicContact CD1-CG 4.33Å; I238-M583 HydrophobicContact CD1-SD 3.85Å; E579-M583 WeakPolarHBondContact O-CG 3.37Å; E579-M583 PolarHBondContact O-N 3.08Å; F580-M583 WeakPolarHBondContact O-CB 3.35Å; F580-M583 PolarHBondContact O-N 3.48Å | ||
| 584 | W | 74.9 | Confident | 74.4 | Confident | 121 Ų | 121 | 73.6 Ų | 73.6 | 46% | 0.458 | 37% | 0.365 | S | S | . | . | trans | -111.8 | 134.5 | -179.4 | -59.8 | 103.3 | 0 | 0 | 0 | 110.7 | K212 A582 L588 | K212-W584 HydrophobicContact CD-CE3 3.99Å; K212-W584 HydrophobicContact CD-CH2 3.98Å; K212-W584 HydrophobicContact CD-CZ2 4.48Å; K212-W584 HydrophobicContact CD-CZ3 3.7Å; A582-W584 PolarHBondContact O-N 2.87Å; A582-W584 PolarHBondContact O-NE1 3.42Å; A582-W584 VanDerWaalsContact O-NE1 3.13Å; W584-L588 HydrophobicContact CB-CB 4.37Å; W584-L588 HydrophobicContact CE3-CB 4.19Å; W584-L588 HydrophobicContact CE3-CD1 4.08Å; W584-L588 HydrophobicContact CZ3-CD1 4.46Å | ||
| 585 | G | 59.4 | Low | 72.4 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | trans | -65.3 | 152.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T214 K587 L588 Y589 | T214-G585 VanDerWaalsContact CG2-N 3.28Å; T214-G585 PolarHBondContact OG1-N 3.15Å; G585-K587 PolarHBondContact O-N 2.79Å; G585-L588 WeakPolarHBondContact O-CA 3.47Å; G585-L588 PolarHBondContact O-N 2.94Å; G585-Y589 PolarHBondContact O-N 2.6Å | ||
| 586 | P | 54.1 | Low | 70.5 | Confident | 91 Ų | 91 | 76.2 Ų | 76.2 | 59% | 0.591 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.2 | -33.3 | -170.5 | 16.8 | -30.7 | 0 | 0 | 0 | 114.1 | L588 Y589 A590 | P586-L588 VanDerWaalsContact C-N 3.34Å; P586-L588 PolarHBondContact O-N 3.25Å; P586-Y589 PolarHBondContact O-N 3.15Å; P586-A590 WeakPolarHBondContact O-CB 3.47Å; P586-A590 PolarHBondContact O-N 2.88Å |
| 587 | K | 50.8 | Low | 68.3 | Low | 182 Ų | 182 | 79.7 Ų | 79.7 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 173.7 | -68.6 | 179.3 | 179.1 | 172.8 | 0 | 113.3 | G585 L591 | G585-K587 PolarHBondContact O-N 2.79Å; K587-L591 WeakPolarHBondContact O-CB 2.99Å; K587-L591 PolarHBondContact O-N 3.19Å |
| 588 | L | 53.3 | Low | 66.2 | Low | 84 Ų | 84 | 85 Ų | 85 | 44% | 0.44 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -79.2 | -35.1 | 177 | -84.6 | 162.8 | 0 | 0 | 0 | 111.7 | W584 G585 P586 L591 F592 | W584-L588 HydrophobicContact CB-CB 4.37Å; W584-L588 HydrophobicContact CE3-CB 4.19Å; W584-L588 HydrophobicContact CE3-CD1 4.08Å; W584-L588 HydrophobicContact CZ3-CD1 4.46Å; G585-L588 WeakPolarHBondContact O-CA 3.47Å; G585-L588 PolarHBondContact O-N 2.94Å; P586-L588 VanDerWaalsContact C-N 3.34Å; P586-L588 PolarHBondContact O-N 3.25Å; L588-L591 PolarHBondContact O-N 2.72Å; L588-F592 WeakPolarHBondContact O-CB 3.35Å; L588-F592 PolarHBondContact O-N 3.38Å |
| 589 | Y | 54.4 | Low | 64.3 | Low | 126 Ų | 126 | 84.6 Ų | 84.6 | 49% | 0.494 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 175 | -166.5 | -100.2 | 0 | 0 | 0 | 111.8 | G585 P586 F592 Q593 | G585-Y589 PolarHBondContact O-N 2.6Å; P586-Y589 PolarHBondContact O-N 3.15Å; Y589-F592 PolarHBondContact O-N 3.38Å; Y589-Q593 HydrophobicContact CD1-CG 4.37Å; Y589-Q593 HydrophobicContact CE1-CG 4.08Å; Y589-Q593 PolarHBondContact O-N 2.88Å |
| 590 | A | 54.7 | Low | 62.2 | Low | 48 Ų | 48 | 84.4 Ų | 84.4 | 40% | 0.397 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P586 F592 Q593 M594 | P586-A590 WeakPolarHBondContact O-CB 3.47Å; P586-A590 PolarHBondContact O-N 2.88Å; A590-F592 VanDerWaalsContact C-N 3.28Å; A590-F592 PolarHBondContact O-N 3.05Å; A590-Q593 PolarHBondContact O-N 3.28Å; A590-M594 WeakPolarHBondContact O-CB 3.47Å; A590-M594 WeakPolarHBondContact O-CG 3.4Å; A590-M594 PolarHBondContact O-N 3.48Å |
| 591 | L | 53.8 | Low | 60.2 | Low | 92 Ų | 92 | 90.2 Ų | 90.2 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -34.8 | 174 | -92.3 | 162.7 | 0 | 0 | 0 | 112.9 | K587 L588 R595 | K587-L591 WeakPolarHBondContact O-CB 2.99Å; K587-L591 PolarHBondContact O-N 3.19Å; L588-L591 PolarHBondContact O-N 2.72Å; L591-R595 WeakPolarHBondContact O-CB 3.34Å; L591-R595 VanDerWaalsContact O-CG 3.32Å; L591-R595 WeakPolarHBondContact O-CG 3.32Å; L591-R595 PolarHBondContact O-N 2.85Å |
| 592 | F | 58.1 | Low | 58.2 | Low | 130 Ų | 130 | 97.4 Ų | 97.4 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.1 | -46.2 | 176.4 | -170.2 | -94.2 | 0 | 0 | 0 | 111.5 | L588 Y589 A590 R595 S596 | L588-F592 WeakPolarHBondContact O-CB 3.35Å; L588-F592 PolarHBondContact O-N 3.38Å; Y589-F592 PolarHBondContact O-N 3.38Å; A590-F592 VanDerWaalsContact C-N 3.28Å; A590-F592 PolarHBondContact O-N 3.05Å; F592-R595 PolarHBondContact O-N 3.37Å; F592-S596 WeakPolarHBondContact O-CB 3.39Å; F592-S596 PolarHBondContact O-N 3.38Å |
| 593 | Q | 53.1 | Low | 56 | Low | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 173.8 | -74.8 | -166.8 | -17.1 | 0 | 0 | 111.8 | Y589 A590 R595 S596 C597 | Y589-Q593 HydrophobicContact CD1-CG 4.37Å; Y589-Q593 HydrophobicContact CE1-CG 4.08Å; Y589-Q593 PolarHBondContact O-N 2.88Å; A590-Q593 PolarHBondContact O-N 3.28Å; Q593-R595 VanDerWaalsContact C-N 3.33Å; Q593-R595 PolarHBondContact O-N 2.84Å; Q593-S596 PolarHBondContact O-N 2.9Å; Q593-S596 VanDerWaalsContact O-N 3.13Å; Q593-C597 PolarHBondContact O-N 2.9Å; Q593-C597 PolarHBondContact O-SG 3.13Å |
| 594 | M | 53.2 | Low | 53.8 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.7 | -42.7 | 176.1 | -72.5 | -174.7 | 79.3 | 0 | 0 | 112.2 | A590 Q598 | A590-M594 WeakPolarHBondContact O-CB 3.47Å; A590-M594 WeakPolarHBondContact O-CG 3.4Å; A590-M594 PolarHBondContact O-N 3.48Å; M594-Q598 WeakPolarHBondContact O-CB 3.38Å; M594-Q598 VanDerWaalsContact O-CG 3.28Å; M594-Q598 WeakPolarHBondContact O-CG 3.43Å; M594-Q598 PolarHBondContact O-N 3.38Å |
| 595 | R | 54.8 | Low | 52.7 | Low | 169 Ų | 169 | 113.1 Ų | 113.1 | 64% | 0.638 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | 175.6 | -77.6 | -179.5 | 174.8 | -153.6 | -1.1 | 113.1 | L591 F592 Q593 S599 | L591-R595 WeakPolarHBondContact O-CB 3.34Å; L591-R595 VanDerWaalsContact O-CG 3.32Å; L591-R595 WeakPolarHBondContact O-CG 3.32Å; L591-R595 PolarHBondContact O-N 2.85Å; F592-R595 PolarHBondContact O-N 3.37Å; Q593-R595 VanDerWaalsContact C-N 3.33Å; Q593-R595 PolarHBondContact O-N 2.84Å; R595-S599 WeakPolarHBondContact O-CB 3.28Å; R595-S599 PolarHBondContact O-N 2.71Å; R595-S599 PolarHBondContact O-OG 2.96Å |
| 596 | S | 54.5 | Low | 52.4 | Low | 61 Ų | 61 | 118.3 Ų | 118.3 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -49.4 | 176.4 | -158.4 | 0 | 0 | 0 | 0 | 110.6 | F592 Q593 Q598 S599 S600 | F592-S596 WeakPolarHBondContact O-CB 3.39Å; F592-S596 PolarHBondContact O-N 3.38Å; Q593-S596 PolarHBondContact O-N 2.9Å; Q593-S596 VanDerWaalsContact O-N 3.13Å; S596-Q598 PolarHBondContact O-N 2.93Å; S596-S599 WeakPolarHBondContact O-CA 3.48Å; S596-S599 WeakPolarHBondContact O-CB 3.42Å; S596-S599 PolarHBondContact O-N 3.3Å; S596-S600 PolarHBondContact O-N 2.94Å; S596-S600 PolarHBondContact O-OG 3.41Å |
| 597 | C | 51.4 | Low | 52.3 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 52% | 0.52 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.9 | -43.7 | 172.9 | -67 | 0 | 0 | 0 | 0 | 112.5 | Q593 S599 S600 I601 | Q593-C597 PolarHBondContact O-N 2.9Å; Q593-C597 PolarHBondContact O-SG 3.13Å; C597-S599 PolarHBondContact O-N 3Å; C597-S600 PolarHBondContact O-N 2.99Å; C597-I601 WeakPolarHBondContact O-CB 3.44Å; C597-I601 WeakPolarHBondContact O-CD1 3.25Å; C597-I601 VanDerWaalsContact O-CG1 3.25Å; C597-I601 WeakPolarHBondContact O-CG1 3.35Å; C597-I601 PolarHBondContact O-N 3.07Å |
| 598 | Q | 51.7 | Low | 52.3 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -24.1 | 174.4 | -77.3 | 179.9 | -10.8 | 0 | 0 | 113.6 | M594 S596 K602 | M594-Q598 WeakPolarHBondContact O-CB 3.38Å; M594-Q598 VanDerWaalsContact O-CG 3.28Å; M594-Q598 WeakPolarHBondContact O-CG 3.43Å; M594-Q598 PolarHBondContact O-N 3.38Å; S596-Q598 PolarHBondContact O-N 2.93Å; Q598-K602 WeakPolarHBondContact O-CG 3.47Å; Q598-K602 PolarHBondContact O-N 3.48Å |
| 599 | S | 52.2 | Low | 52.3 | Low | 70 Ų | 70 | 118.1 Ų | 118.1 | 49% | 0.49 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -78.3 | -43.1 | 175 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | R595 S596 C597 I601 K602 Q603 | R595-S599 WeakPolarHBondContact O-CB 3.28Å; R595-S599 PolarHBondContact O-N 2.71Å; R595-S599 PolarHBondContact O-OG 2.96Å; S596-S599 WeakPolarHBondContact O-CA 3.48Å; S596-S599 WeakPolarHBondContact O-CB 3.42Å; S596-S599 PolarHBondContact O-N 3.3Å; C597-S599 PolarHBondContact O-N 3Å; S599-I601 VanDerWaalsContact C-N 3.34Å; S599-I601 PolarHBondContact O-N 3.24Å; S599-K602 PolarHBondContact O-N 3.41Å; S599-K602 VanDerWaalsContact O-N 3.1Å; S599-Q603 PolarHBondContact O-N 3.1Å |
| 600 | S | 51.6 | Low | 52.1 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -39.5 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | S596 C597 K602 Q603 | S596-S600 PolarHBondContact O-N 2.94Å; S596-S600 PolarHBondContact O-OG 3.41Å; C597-S600 PolarHBondContact O-N 2.99Å; S600-K602 PolarHBondContact O-N 3.42Å; S600-Q603 PolarHBondContact O-N 3.31Å |
| 601 | I | 52.7 | Low | 52 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -13.6 | 175.8 | -68.4 | 165.1 | 0 | 0 | 0 | 112.4 | C597 S599 | C597-I601 WeakPolarHBondContact O-CB 3.44Å; C597-I601 WeakPolarHBondContact O-CD1 3.25Å; C597-I601 VanDerWaalsContact O-CG1 3.25Å; C597-I601 WeakPolarHBondContact O-CG1 3.35Å; C597-I601 PolarHBondContact O-N 3.07Å; S599-I601 VanDerWaalsContact C-N 3.34Å; S599-I601 PolarHBondContact O-N 3.24Å |
| 602 | K | 50.5 | Low | 51.8 | Low | 180 Ų | 180 | 124.9 Ų | 124.9 | 78% | 0.783 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 7.4 | 172 | -76.8 | -174.5 | 173.3 | -171.4 | 0 | 113.9 | Q598 S599 S600 | Q598-K602 WeakPolarHBondContact O-CG 3.47Å; Q598-K602 PolarHBondContact O-N 3.48Å; S599-K602 PolarHBondContact O-N 3.41Å; S599-K602 VanDerWaalsContact O-N 3.1Å; S600-K602 PolarHBondContact O-N 3.42Å |
| 603 | Q | 47.6 | Very low | 51.3 | Low | 175 Ų | 175 | 124.5 Ų | 124.5 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -116.3 | 9.9 | 171.5 | -68.3 | -174.5 | -34.9 | 0 | 0 | 112.3 | S599 S600 | S599-Q603 PolarHBondContact O-N 3.1Å; S600-Q603 PolarHBondContact O-N 3.31Å | ||
| 604 | M | 42.3 | Very low | 51.1 | Low | 233 Ų | 233 | 126.6 Ų | 126.6 | 100% | 1.148 | 64% | 0.643 | S | S | * | * | trans | -109.2 | 0 | 157.9 | -73.7 | -177.7 | 156.3 | 0 | 0 | 108.9 |
Retrieved 604 of 604 residues in 112.6 ms
(Link to these results)