| 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 | 42.9 | Very low | 81.7 | Confident | 236 Ų | 236 | 75.4 Ų | 75.4 | 100% | 1.163 | 38% | 0.375 | S | S | * | . | 0 | 158.5 | 0 | -67.1 | 173.9 | 176.4 | 0 | 0 | 108.1 | E3 | M1-E3 PolarHBondContact O-N 3.26Š| |||
| 2 | C | 53.8 | Low | 82.7 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 76% | 0.764 | 35% | 0.345 | S | S | * | . | trans | -84.5 | 99.9 | 172.2 | -66 | 0 | 0 | 0 | 0 | 108.9 | G4 | C2-G4 PolarHBondContact O-N 3.18Š| ||
| 3 | E | 67.8 | Low | 83.2 | Confident | 189 Ų | 189 | 66.6 Ų | 66.6 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | trans | -66.4 | 119.6 | 175.2 | -65.9 | -176.6 | 166.2 | 0 | 0 | 109.7 | M1 | M1-E3 PolarHBondContact O-N 3.26Š| ||
| 4 | G | 80.3 | Confident | 83.7 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | trans | -73.5 | 145.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C2 R6 V21 | C2-G4 PolarHBondContact O-N 3.18Å; G4-R6 PolarHBondContact O-N 3.31Å; G4-R6 VanDerWaalsContact O-N 3.13Å; G4-V21 CarbonylContact C-O 3.59Å; G4-V21 VanDerWaalsContact CA-O 3.24Å; G4-V21 WeakPolarHBondContact CA-O 3.34Å | ||
| 5 | R | 87.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 26% | 0.26 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 115.1 | 175.6 | -172.3 | 179.3 | -171.3 | 158.9 | -0.1 | 109 | T7 V21 L69 A77 S78 | R5-T7 PolarHBondContact O-N 3.44Å; R5-T7 PolarHBondContact O-OG1 2.82Å; R5-V21 PolarHBondContact N-O 3.12Å; R5-V21 PolarHBondContact O-N 3.2Å; R5-L69 HydrophobicContact CB-CD1 3.98Å; R5-L69 HydrophobicContact CB-CD2 4.04Å; R5-L69 HydrophobicContact CG-CD2 4.45Å; R5-A77 PolarHBondContact NH2-O 2.98Å; R5-S78 PolarHBondContact NH2-OG 3.35Å |
| 6 | R | 91.2 | Very high | 84.8 | Confident | 151 Ų | 151 | 77.8 Ų | 77.8 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 125.8 | 174.1 | -170.7 | 179.7 | -178.2 | 179 | 2.4 | 108.9 | G4 D18 A83 L84 | G4-R6 PolarHBondContact O-N 3.31Å; G4-R6 VanDerWaalsContact O-N 3.13Å; R6-D18 IonicContact CZ-OD2 2.72Å; R6-D18 IonicContact NE-OD2 3.76Å; R6-D18 PolarHBondContact NE-OD2 3.05Å; R6-D18 IonicContact NH2-OD2 2.82Å; R6-D18 PolarHBondContact NH2-OD2 2.92Å; R6-A83 HydrophobicContact CB-CB 4.46Å; R6-A83 HydrophobicContact CG-CB 3.97Å; R6-A83 CarbonylContact O-C 3.55Å; R6-A83 VanDerWaalsContact O-CA 3.27Å; R6-A83 WeakPolarHBondContact O-CA 3.35Å; R6-L84 PolarHBondContact O-N 3.12Å |
| 7 | T | 92.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.3 | -174.3 | -58.4 | 0 | 0 | 0 | 0 | 107.9 | R5 I9 D18 I19 V21 L84 L86 | R5-T7 PolarHBondContact O-N 3.44Å; R5-T7 PolarHBondContact O-OG1 2.82Å; T7-I9 HydrophobicContact CG2-CG1 4.34Å; T7-D18 WeakPolarHBondContact O-CA 3.41Å; T7-I19 WeakPolarHBondContact CA-O 3.39Å; T7-I19 WeakPolarHBondContact CB-O 3.34Å; T7-I19 PolarHBondContact N-O 3.49Å; T7-I19 PolarHBondContact O-N 3.24Å; T7-I19 VanDerWaalsContact O-O 3.09Å; T7-V21 HydrophobicContact CG2-CG2 3.97Å; T7-V21 VanDerWaalsContact OG1-CG2 3.3Å; T7-V21 WeakPolarHBondContact OG1-CG2 3.49Å; T7-L84 CarbonylContact C-O 3.58Å; T7-L84 VanDerWaalsContact CA-O 3.22Å; T7-L84 WeakPolarHBondContact CA-O 3.4Å; T7-L84 HydrophobicContact CG2-CB 4.19Å; T7-L84 HydrophobicContact CG2-CD2 4.17Å; T7-L84 HydrophobicContact CG2-CG 4.15Å; T7-L84 WeakPolarHBondContact CG2-O 3.35Å; T7-L86 HydrophobicContact CG2-CD1 3.79Å; T7-L86 HydrophobicContact CG2-CG 3.95Å |
| 8 | Q | 94.6 | Very high | 85.8 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120 | 177 | 178 | 165 | 97.2 | 0 | 0 | 108.2 | R16 D18 A83 L84 I85 L86 | Q8-R16 VanDerWaalsContact CD-CD 3.45Å; Q8-R16 HydrophobicContact CG-CB 4Å; Q8-D18 WeakPolarHBondContact CG-OD1 3.38Å; Q8-D18 PolarHBondContact NE2-OD1 3.16Å; Q8-A83 HydrophobicContact CB-CB 4.27Å; Q8-L84 PolarHBondContact N-O 3.12Å; Q8-I85 WeakPolarHBondContact O-CA 3.19Å; Q8-L86 PolarHBondContact O-N 2.68Å |
| 9 | I | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.1 | 179.5 | -48.4 | -176 | 0 | 0 | 0 | 108.7 | T7 L11 R16 L17 I19 L30 V34 L50 L86 H88 | T7-I9 HydrophobicContact CG2-CG1 4.34Å; I9-L11 HydrophobicContact CG2-CD2 4.22Å; I9-R16 WeakPolarHBondContact O-CA 3.48Å; I9-L17 HydrophobicContact CB-CB 4.39Å; I9-L17 PolarHBondContact N-O 2.89Å; I9-L17 PolarHBondContact O-N 2.87Å; I9-I19 HydrophobicContact CD1-CD1 4.2Å; I9-L30 HydrophobicContact CD1-CD1 3.79Å; I9-L30 HydrophobicContact CD1-CD2 3.98Å; I9-L30 HydrophobicContact CD1-CG 3.86Å; I9-V34 HydrophobicContact CD1-CG2 3.48Å; I9-V34 VanDerWaalsContact CD1-CG2 3.48Å; I9-V34 HydrophobicContact CG2-CG2 4.03Å; I9-L50 HydrophobicContact CG2-CD2 4.08Å; I9-L86 CarbonylContact C-O 3.6Å; I9-L86 WeakPolarHBondContact CA-O 3.23Å; I9-L86 HydrophobicContact CG1-CB 4.36Å; I9-H88 HydrophobicContact CG2-CB 4.23Å |
| 10 | V | 95.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.2 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | E14 R16 I85 L86 Y87 H88 | V10-E14 WeakPolarHBondContact CG1-OE2 3.49Å; V10-R16 HydrophobicContact CG2-CG 4.43Å; V10-I85 HydrophobicContact CG2-CG2 4.17Å; V10-L86 PolarHBondContact N-O 2.84Å; V10-Y87 HydrophobicContact CB-CD1 3.67Å; V10-Y87 HydrophobicContact CB-CE1 3.92Å; V10-Y87 HydrophobicContact CB-CG 4.48Å; V10-Y87 HydrophobicContact CG1-CD1 4.1Å; V10-Y87 HydrophobicContact CG1-CE1 4.23Å; V10-Y87 HydrophobicContact CG2-CD1 4.07Å; V10-Y87 HydrophobicContact CG2-CE1 3.84Å; V10-H88 PolarHBondContact O-N 3.03Å |
| 11 | L | 95.5 | Very high | 86.6 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 171 | 179.3 | -54.9 | -175.4 | 0 | 0 | 0 | 111 | I9 D13 E14 R15 V34 H88 | I9-L11 HydrophobicContact CG2-CD2 4.22Å; L11-D13 WeakPolarHBondContact CB-OD1 3.18Å; L11-D13 PolarHBondContact O-N 3.34Å; L11-E14 WeakPolarHBondContact O-CA 3.31Å; L11-E14 PolarHBondContact O-N 2.84Å; L11-R15 WeakPolarHBondContact CB-O 3.45Å; L11-R15 HydrophobicContact CD1-CB 4.39Å; L11-R15 PolarHBondContact N-O 2.88Å; L11-V34 HydrophobicContact CD2-CG1 3.89Å; L11-H88 HydrophobicContact CD2-CB 4.11Å |
| 12 | L | 93.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.5 | -175.3 | -64.9 | 76.4 | 0 | 0 | 0 | 112.7 | F48 H88 V90 L108 L111 Q112 | L12-F48 HydrophobicContact CD2-CD1 4.16Å; L12-F48 HydrophobicContact CD2-CE1 3.82Å; L12-H88 HydrophobicContact CD1-CB 3.95Å; L12-H88 VanDerWaalsContact CD1-CG 3.49Å; L12-H88 WeakPolarHBondContact CD1-ND1 3.35Å; L12-H88 WeakPolarHBondContact CD1-O 3.2Å; L12-V90 HydrophobicContact CD2-CG2 4.06Å; L12-L108 HydrophobicContact CB-CD2 3.91Å; L12-L108 HydrophobicContact CD1-CD2 4.44Å; L12-L108 HydrophobicContact CD2-CB 4.13Å; L12-L108 HydrophobicContact CD2-CD2 4.44Å; L12-L108 WeakPolarHBondContact CD2-O 3.45Å; L12-L111 WeakPolarHBondContact O-CB 3.18Å; L12-Q112 HydrophobicContact CD2-CB 4.07Å |
| 13 | D | 89.4 | Confident | 90.5 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 12.1 | 167.8 | 54.9 | 31 | 0 | 0 | 0 | 112.4 | L11 R15 L111 | L11-D13 WeakPolarHBondContact CB-OD1 3.18Å; L11-D13 PolarHBondContact O-N 3.34Å; D13-R15 PolarHBondContact O-N 3.19Å; D13-R15 WeakPolarHBondContact OD1-CB 3.3Å; D13-R15 VanDerWaalsContact OD1-CG 3.3Å; D13-R15 WeakPolarHBondContact OD1-CG 3.3Å; D13-R15 PolarHBondContact OD1-N 3.39Å; D13-R15 VanDerWaalsContact OD1-N 3.09Å; D13-R15 IonicContact OD1-NE 2.78Å; D13-R15 PolarHBondContact OD1-NE 3.21Å; D13-R15 IonicContact OD2-CZ 2.62Å; D13-R15 IonicContact OD2-NE 2.66Å; D13-R15 PolarHBondContact OD2-NE 2.75Å; D13-R15 IonicContact OD2-NH2 3.16Å; D13-R15 PolarHBondContact OD2-NH2 2.77Å; D13-L111 HydrophobicContact CB-CD1 3.97Å |
| 14 | E | 89.9 | Confident | 91.5 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 59 | 6.9 | -177.6 | -53 | -62.2 | 146.3 | 0 | 0 | 115.3 | V10 L11 R89 | V10-E14 WeakPolarHBondContact CG1-OE2 3.49Å; L11-E14 WeakPolarHBondContact O-CA 3.31Å; L11-E14 PolarHBondContact O-N 2.84Å; E14-R89 IonicContact OE1-CZ 3.28Å; E14-R89 IonicContact OE1-NH1 3.14Å; E14-R89 PolarHBondContact OE1-NH1 2.98Å; E14-R89 VanDerWaalsContact OE1-NH1 3.14Å; E14-R89 IonicContact OE1-NH2 3.81Å; E14-R89 PolarHBondContact OE1-NH2 3.49Å; E14-R89 IonicContact OE2-NH2 2.71Å; E14-R89 PolarHBondContact OE2-NH2 3.3Å |
| 15 | R | 92.6 | Very high | 92.1 | Very high | 124 Ų | 124 | 56.7 Ų | 56.7 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | trans | -62.8 | 154 | 165.3 | -62.2 | -176.3 | -66.9 | 165.1 | -3.1 | 110 | L11 D13 | L11-R15 WeakPolarHBondContact CB-O 3.45Å; L11-R15 HydrophobicContact CD1-CB 4.39Å; L11-R15 PolarHBondContact N-O 2.88Å; D13-R15 PolarHBondContact O-N 3.19Å; D13-R15 WeakPolarHBondContact OD1-CB 3.3Å; D13-R15 VanDerWaalsContact OD1-CG 3.3Å; D13-R15 WeakPolarHBondContact OD1-CG 3.3Å; D13-R15 PolarHBondContact OD1-N 3.39Å; D13-R15 VanDerWaalsContact OD1-N 3.09Å; D13-R15 IonicContact OD1-NE 2.78Å; D13-R15 PolarHBondContact OD1-NE 3.21Å; D13-R15 IonicContact OD2-CZ 2.62Å; D13-R15 IonicContact OD2-NE 2.66Å; D13-R15 PolarHBondContact OD2-NE 2.75Å; D13-R15 IonicContact OD2-NH2 3.16Å; D13-R15 PolarHBondContact OD2-NH2 2.77Å | ||
| 16 | R | 93.3 | Very high | 92.5 | Very high | 162 Ų | 162 | 54.6 Ų | 54.6 | 61% | 0.611 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.4 | -176.7 | -53.8 | -160.9 | -171 | -174 | 2.9 | 111.8 | Q8 I9 V10 | Q8-R16 VanDerWaalsContact CD-CD 3.45Å; Q8-R16 HydrophobicContact CG-CB 4Å; I9-R16 WeakPolarHBondContact O-CA 3.48Å; V10-R16 HydrophobicContact CG2-CG 4.43Å |
| 17 | L | 93.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.7 | -178.3 | 178 | 59.7 | 0 | 0 | 0 | 109.7 | I9 I19 V34 H37 | I9-L17 HydrophobicContact CB-CB 4.39Å; I9-L17 PolarHBondContact N-O 2.89Å; I9-L17 PolarHBondContact O-N 2.87Å; L17-I19 HydrophobicContact CD1-CD1 4.48Å; L17-I19 HydrophobicContact CD1-CG1 4.43Å; L17-I19 HydrophobicContact CD2-CD1 3.84Å; L17-I19 HydrophobicContact CG-CD1 3.83Å; L17-I19 HydrophobicContact CG-CG1 4.06Å; L17-V34 HydrophobicContact CD2-CG2 4.33Å; L17-H37 HydrophobicContact CD2-CB 4.25Å |
| 18 | D | 93.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.2 | 178.2 | -92.9 | 34.1 | 0 | 0 | 0 | 110.8 | R6 T7 Q8 | R6-D18 IonicContact CZ-OD2 2.72Å; R6-D18 IonicContact NE-OD2 3.76Å; R6-D18 PolarHBondContact NE-OD2 3.05Å; R6-D18 IonicContact NH2-OD2 2.82Å; R6-D18 PolarHBondContact NH2-OD2 2.92Å; T7-D18 WeakPolarHBondContact O-CA 3.41Å; Q8-D18 WeakPolarHBondContact CG-OD1 3.38Å; Q8-D18 PolarHBondContact NE2-OD1 3.16Å |
| 19 | I | 91.7 | Very high | 92.7 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 17% | 0.169 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.7 | -178.4 | -69.5 | 173 | 0 | 0 | 0 | 110.2 | T7 I9 L17 V21 L30 I33 | T7-I19 WeakPolarHBondContact CA-O 3.39Å; T7-I19 WeakPolarHBondContact CB-O 3.34Å; T7-I19 PolarHBondContact N-O 3.49Å; T7-I19 PolarHBondContact O-N 3.24Å; T7-I19 VanDerWaalsContact O-O 3.09Å; I9-I19 HydrophobicContact CD1-CD1 4.2Å; L17-I19 HydrophobicContact CD1-CD1 4.48Å; L17-I19 HydrophobicContact CD1-CG1 4.43Å; L17-I19 HydrophobicContact CD2-CD1 3.84Å; L17-I19 HydrophobicContact CG-CD1 3.83Å; L17-I19 HydrophobicContact CG-CG1 4.06Å; I19-V21 HydrophobicContact CG2-CG2 4.06Å; I19-V21 PolarHBondContact O-N 2.92Å; I19-L30 HydrophobicContact CD1-CD1 3.91Å; I19-L30 HydrophobicContact CG2-CD1 4.31Å; I19-I33 HydrophobicContact CD1-CG2 3.84Å |
| 20 | A | 91.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 37% | 0.372 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 96.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q22 | A20-Q22 PolarHBondContact O-N 3.27Å |
| 21 | V | 91.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.7 | -176.7 | 170 | 0 | 0 | 0 | 0 | 110.3 | G4 R5 T7 I19 L25 L30 V68 L69 | G4-V21 CarbonylContact C-O 3.59Å; G4-V21 VanDerWaalsContact CA-O 3.24Å; G4-V21 WeakPolarHBondContact CA-O 3.34Å; R5-V21 PolarHBondContact N-O 3.12Å; R5-V21 PolarHBondContact O-N 3.2Å; T7-V21 HydrophobicContact CG2-CG2 3.97Å; T7-V21 VanDerWaalsContact OG1-CG2 3.3Å; T7-V21 WeakPolarHBondContact OG1-CG2 3.49Å; I19-V21 HydrophobicContact CG2-CG2 4.06Å; I19-V21 PolarHBondContact O-N 2.92Å; V21-L25 HydrophobicContact CG1-CB 4.49Å; V21-L25 HydrophobicContact CG1-CD2 4.3Å; V21-L25 HydrophobicContact CG2-CD2 4.41Å; V21-L30 HydrophobicContact CG2-CD1 4.44Å; V21-L30 HydrophobicContact CG2-CD2 4.03Å; V21-V68 HydrophobicContact CG1-CB 3.78Å; V21-V68 HydrophobicContact CG1-CG1 3.88Å; V21-V68 HydrophobicContact CG1-CG2 4.34Å; V21-L69 HydrophobicContact CG1-CD1 4.42Å; V21-L69 HydrophobicContact CG1-CD2 3.84Å; V21-L69 HydrophobicContact CG1-CG 3.93Å |
| 22 | Q | 89.9 | Confident | 92.5 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | trans | -80.8 | 153.6 | 175.8 | -59.8 | -172.3 | 0.4 | 0 | 0 | 111 | A20 R24 L25 M899 | A20-Q22 PolarHBondContact O-N 3.27Å; Q22-R24 VanDerWaalsContact C-N 3.3Å; Q22-R24 PolarHBondContact O-N 3.06Å; Q22-L25 WeakPolarHBondContact O-CB 3.37Å; Q22-L25 PolarHBondContact O-N 3.45Å; Q22-L25 VanDerWaalsContact O-N 3.12Å; Q22-M899 PolarHBondContact NE2-O 2.97Å | ||
| 23 | T | 87.7 | Confident | 92.5 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 55% | 0.546 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -44.8 | -178.4 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | L25 Q67 L69 | T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.41Å; T23-Q67 WeakPolarHBondContact O-CB 3.42Å; T23-Q67 PolarHBondContact O-OE1 2.99Å; T23-L69 HydrophobicContact CG2-CD1 4.25Å |
| 24 | R | 89.6 | Confident | 92.8 | Very high | 188 Ų | 188 | 55.9 Ų | 55.9 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.5 | -177.5 | -67.1 | -174.4 | 174 | -168.5 | -3 | 115.5 | Q22 S26 | Q22-R24 VanDerWaalsContact C-N 3.3Å; Q22-R24 PolarHBondContact O-N 3.06Å; R24-S26 PolarHBondContact O-N 3.28Å |
| 25 | L | 93.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | trans | -71.6 | 122.5 | -174.7 | -170.2 | 66.6 | 0 | 0 | 0 | 110.5 | V21 Q22 T23 D29 L30 Q67 V68 | V21-L25 HydrophobicContact CG1-CB 4.49Å; V21-L25 HydrophobicContact CG1-CD2 4.3Å; V21-L25 HydrophobicContact CG2-CD2 4.41Å; Q22-L25 WeakPolarHBondContact O-CB 3.37Å; Q22-L25 PolarHBondContact O-N 3.45Å; Q22-L25 VanDerWaalsContact O-N 3.12Å; T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.41Å; L25-D29 HydrophobicContact CD1-CB 3.62Å; L25-D29 HydrophobicContact CG-CB 4.38Å; L25-L30 HydrophobicContact CD2-CB 4.1Å; L25-L30 HydrophobicContact CD2-CD1 3.96Å; L25-L30 HydrophobicContact CD2-CG 4.47Å; L25-L30 HydrophobicContact CG-CB 4.47Å; L25-Q67 WeakPolarHBondContact O-CA 3.22Å; L25-V68 PolarHBondContact O-N 3.35Å | ||
| 26 | S | 94.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 157.3 | 175.1 | 82.4 | 0 | 0 | 0 | 0 | 111.6 | R24 T28 D29 L30 R66 | R24-S26 PolarHBondContact O-N 3.28Å; S26-T28 PolarHBondContact O-N 2.95Å; S26-T28 PolarHBondContact OG-N 3.28Å; S26-D29 VanDerWaalsContact CB-OD2 3.26Å; S26-D29 WeakPolarHBondContact CB-OD2 3.28Å; S26-D29 PolarHBondContact N-OD2 3.01Å; S26-D29 PolarHBondContact O-N 2.89Å; S26-D29 PolarHBondContact OG-N 3.25Å; S26-D29 PolarHBondContact OG-OD2 3.43Å; S26-L30 PolarHBondContact O-N 3.43Å; S26-R66 WeakPolarHBondContact CA-O 3.21Å |
| 27 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -31.8 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L31 L62 N63 R66 V68 | V27-L31 VanDerWaalsContact O-CB 3.29Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 PolarHBondContact O-N 3.19Å; V27-L62 HydrophobicContact CB-CB 4.5Å; V27-L62 HydrophobicContact CG1-CB 3.74Å; V27-L62 HydrophobicContact CG1-CD2 4.4Å; V27-L62 HydrophobicContact CG2-CB 3.92Å; V27-L62 HydrophobicContact CG2-CD2 3.68Å; V27-L62 HydrophobicContact CG2-CG 4.4Å; V27-N63 WeakPolarHBondContact CB-O 3.35Å; V27-N63 WeakPolarHBondContact CG2-O 3.43Å; V27-R66 WeakPolarHBondContact CG2-O 3.3Å; V27-R66 PolarHBondContact N-O 3.46Å; V27-V68 HydrophobicContact CG2-CB 4.45Å; V27-V68 HydrophobicContact CG2-CG2 3.87Å |
| 28 | T | 94.3 | Very high | 92.4 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 173.4 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | S26 L31 N32 N64 | S26-T28 PolarHBondContact O-N 2.95Å; S26-T28 PolarHBondContact OG-N 3.28Å; T28-L31 PolarHBondContact O-N 2.71Å; T28-N32 PolarHBondContact O-N 2.95Å; T28-N32 PolarHBondContact O-ND2 3.49Å; T28-N64 PolarHBondContact N-O 2.97Å; T28-N64 PolarHBondContact OG1-O 3.24Å |
| 29 | D | 94.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.9 | -57.3 | -47.4 | 0 | 0 | 0 | 111.6 | L25 S26 L31 N32 I33 | L25-D29 HydrophobicContact CD1-CB 3.62Å; L25-D29 HydrophobicContact CG-CB 4.38Å; S26-D29 VanDerWaalsContact CB-OD2 3.26Å; S26-D29 WeakPolarHBondContact CB-OD2 3.28Å; S26-D29 PolarHBondContact N-OD2 3.01Å; S26-D29 PolarHBondContact O-N 2.89Å; S26-D29 PolarHBondContact OG-N 3.25Å; S26-D29 PolarHBondContact OG-OD2 3.43Å; D29-L31 VanDerWaalsContact C-N 3.34Å; D29-L31 PolarHBondContact O-N 2.61Å; D29-N32 WeakPolarHBondContact O-CB 3.36Å; D29-N32 PolarHBondContact O-N 3.25Å; D29-I33 WeakPolarHBondContact O-CG1 3.41Å; D29-I33 PolarHBondContact O-N 3.37Å |
| 30 | L | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 175.8 | -170.5 | 59.3 | 0 | 0 | 0 | 111.8 | I9 I19 V21 L25 S26 N32 I33 V34 L50 V68 L86 | I9-L30 HydrophobicContact CD1-CD1 3.79Å; I9-L30 HydrophobicContact CD1-CD2 3.98Å; I9-L30 HydrophobicContact CD1-CG 3.86Å; I19-L30 HydrophobicContact CD1-CD1 3.91Å; I19-L30 HydrophobicContact CG2-CD1 4.31Å; V21-L30 HydrophobicContact CG2-CD1 4.44Å; V21-L30 HydrophobicContact CG2-CD2 4.03Å; L25-L30 HydrophobicContact CD2-CB 4.1Å; L25-L30 HydrophobicContact CD2-CD1 3.96Å; L25-L30 HydrophobicContact CD2-CG 4.47Å; L25-L30 HydrophobicContact CG-CB 4.47Å; S26-L30 PolarHBondContact O-N 3.43Å; L30-N32 VanDerWaalsContact C-N 3.32Å; L30-I33 PolarHBondContact O-N 3.49Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.18Å; L30-L50 HydrophobicContact CB-CD1 4.04Å; L30-L50 HydrophobicContact CD2-CD1 3.85Å; L30-L50 HydrophobicContact CG-CD1 3.79Å; L30-V68 HydrophobicContact CB-CG2 4.07Å; L30-V68 HydrophobicContact CD2-CG1 4.12Å; L30-V68 HydrophobicContact CD2-CG2 3.73Å; L30-L86 HydrophobicContact CD2-CD1 3.93Å |
| 31 | L | 94.8 | Very high | 92 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 172.7 | -175.5 | 62.8 | 0 | 0 | 0 | 111.8 | V27 T28 D29 V34 A35 L50 | V27-L31 VanDerWaalsContact O-CB 3.29Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 PolarHBondContact O-N 3.19Å; T28-L31 PolarHBondContact O-N 2.71Å; D29-L31 VanDerWaalsContact C-N 3.34Å; D29-L31 PolarHBondContact O-N 2.61Å; L31-V34 PolarHBondContact O-N 2.93Å; L31-A35 VanDerWaalsContact O-CB 3.23Å; L31-A35 WeakPolarHBondContact O-CB 3.33Å; L31-A35 PolarHBondContact O-N 3.01Å; L31-L50 HydrophobicContact CD1-CG 4.32Å |
| 32 | N | 93.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 54 Ų | 54 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67 | -40 | 174.7 | -68 | -26.6 | 0 | 0 | 0 | 112.4 | T28 D29 L30 A35 S36 R45 | T28-N32 PolarHBondContact O-N 2.95Å; T28-N32 PolarHBondContact O-ND2 3.49Å; D29-N32 WeakPolarHBondContact O-CB 3.36Å; D29-N32 PolarHBondContact O-N 3.25Å; L30-N32 VanDerWaalsContact C-N 3.32Å; N32-A35 PolarHBondContact O-N 3.32Å; N32-S36 PolarHBondContact O-N 3.43Å; N32-R45 PolarHBondContact OD1-NH1 3.4Å |
| 33 | I | 93.3 | Very high | 91.8 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 32% | 0.323 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 172.4 | -65.2 | 164.3 | 0 | 0 | 0 | 110.2 | I19 D29 L30 A35 S36 H37 | I19-I33 HydrophobicContact CD1-CG2 3.84Å; D29-I33 WeakPolarHBondContact O-CG1 3.41Å; D29-I33 PolarHBondContact O-N 3.37Å; L30-I33 PolarHBondContact O-N 3.49Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.2Å; I33-S36 PolarHBondContact O-N 3.45Å; I33-S36 PolarHBondContact O-OG 3.42Å; I33-H37 PolarHBondContact O-CD2 3.35Å; I33-H37 PolarHBondContact O-N 3.07Å |
| 34 | V | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | I9 L11 L17 L30 L31 S36 H37 C38 L50 H88 | I9-V34 HydrophobicContact CD1-CG2 3.48Å; I9-V34 VanDerWaalsContact CD1-CG2 3.48Å; I9-V34 HydrophobicContact CG2-CG2 4.03Å; L11-V34 HydrophobicContact CD2-CG1 3.89Å; L17-V34 HydrophobicContact CD2-CG2 4.33Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.18Å; L31-V34 PolarHBondContact O-N 2.93Å; V34-S36 PolarHBondContact O-N 3.13Å; V34-H37 PolarHBondContact O-N 3.41Å; V34-C38 WeakPolarHBondContact O-CB 3.25Å; V34-C38 PolarHBondContact O-N 3.44Å; V34-C38 PolarHBondContact O-SG 3.2Å; V34-C38 VanDerWaalsContact O-SG 3.4Å; V34-L50 HydrophobicContact CG2-CD2 4.35Å; V34-H88 HydrophobicContact CG1-CB 3.8Å; V34-H88 VanDerWaalsContact CG1-ND1 3.29Å; V34-H88 WeakPolarHBondContact CG1-ND1 3.31Å |
| 35 | A | 92.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L31 N32 I33 C38 C39 L40 R45 | L31-A35 VanDerWaalsContact O-CB 3.23Å; L31-A35 WeakPolarHBondContact O-CB 3.33Å; L31-A35 PolarHBondContact O-N 3.01Å; N32-A35 PolarHBondContact O-N 3.32Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.2Å; A35-C38 CarbonylContact O-C 3.59Å; A35-C38 PolarHBondContact O-N 3.04Å; A35-C39 PolarHBondContact O-N 3.03Å; A35-C39 VanDerWaalsContact O-N 3.1Å; A35-L40 HydrophobicContact CB-CB 3.94Å; A35-L40 PolarHBondContact O-N 3.21Å; A35-R45 HydrophobicContact CB-CG 4.11Å |
| 36 | S | 90.6 | Very high | 92 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 56% | 0.559 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 177.5 | 70.2 | 0 | 0 | 0 | 0 | 112 | N32 I33 V34 C38 C39 | N32-S36 PolarHBondContact O-N 3.43Å; I33-S36 PolarHBondContact O-N 3.45Å; I33-S36 PolarHBondContact O-OG 3.42Å; V34-S36 PolarHBondContact O-N 3.13Å; S36-C38 PolarHBondContact O-N 2.9Å; S36-C39 PolarHBondContact O-N 2.96Å |
| 37 | H | 89.5 | Confident | 92 | Very high | 100 Ų | 100 | 48.7 Ų | 48.7 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -27.2 | 172.6 | -81.9 | -80.1 | 0 | 0 | 0 | 113.8 | L17 I33 V34 | L17-H37 HydrophobicContact CD2-CB 4.25Å; I33-H37 PolarHBondContact O-CD2 3.35Å; I33-H37 PolarHBondContact O-N 3.07Å; V34-H37 PolarHBondContact O-N 3.41Å |
| 38 | C | 89.3 | Confident | 92 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.6 | 177.2 | -67.9 | 0 | 0 | 0 | 0 | 114.3 | V34 A35 S36 L40 H88 L108 | V34-C38 WeakPolarHBondContact O-CB 3.25Å; V34-C38 PolarHBondContact O-N 3.44Å; V34-C38 PolarHBondContact O-SG 3.2Å; V34-C38 VanDerWaalsContact O-SG 3.4Å; A35-C38 CarbonylContact O-C 3.59Å; A35-C38 PolarHBondContact O-N 3.04Å; S36-C38 PolarHBondContact O-N 2.9Å; C38-L40 HydrophobicContact CB-CD1 4.25Å; C38-L40 HydrophobicContact CB-CG 4.05Å; C38-L40 PolarHBondContact O-N 2.96Å; C38-H88 PolarHBondContact SG-ND1 3.43Å; C38-L108 HydrophobicContact CB-CD1 4.04Å |
| 39 | C | 88.4 | Confident | 92.1 | Very high | 85 Ų | 85 | 46.1 Ų | 46.1 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 34.4 | -172.5 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | A35 S36 S104 | A35-C39 PolarHBondContact O-N 3.03Å; A35-C39 VanDerWaalsContact O-N 3.1Å; S36-C39 PolarHBondContact O-N 2.96Å; C39-S104 PolarHBondContact O-OG 3.48Å |
| 40 | L | 90.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | trans | -83.3 | 133.7 | 172.5 | -73.6 | 177.2 | 0 | 0 | 0 | 110.3 | A35 C38 R45 F48 S105 L108 | A35-L40 HydrophobicContact CB-CB 3.94Å; A35-L40 PolarHBondContact O-N 3.21Å; C38-L40 HydrophobicContact CB-CD1 4.25Å; C38-L40 HydrophobicContact CB-CG 4.05Å; C38-L40 PolarHBondContact O-N 2.96Å; L40-R45 HydrophobicContact CB-CG 4.28Å; L40-F48 HydrophobicContact CD1-CB 4.4Å; L40-F48 HydrophobicContact CD1-CD1 4.22Å; L40-F48 HydrophobicContact CD1-CD2 3.57Å; L40-F48 HydrophobicContact CD1-CE1 4.43Å; L40-F48 HydrophobicContact CD1-CE2 3.82Å; L40-F48 HydrophobicContact CD1-CG 3.8Å; L40-F48 HydrophobicContact CD1-CZ 4.26Å; L40-F48 HydrophobicContact CD2-CD2 4.02Å; L40-F48 HydrophobicContact CD2-CE2 3.41Å; L40-F48 VanDerWaalsContact CD2-CE2 3.41Å; L40-F48 HydrophobicContact CD2-CZ 3.75Å; L40-F48 HydrophobicContact CG-CD2 4.46Å; L40-F48 HydrophobicContact CG-CE2 4.28Å; L40-S105 WeakPolarHBondContact CD2-OG 3.13Å; L40-L108 HydrophobicContact CD1-CD1 4.3Å; L40-L108 HydrophobicContact CD2-CD1 3.51Å; L40-L108 HydrophobicContact CG-CD1 3.75Å | ||
| 41 | K | 88.4 | Confident | 92.3 | Very high | 127 Ų | 127 | 42.8 Ų | 42.8 | 55% | 0.552 | 23% | 0.225 | S | C | * | . | trans | -123.3 | 164.9 | -179.5 | -65.6 | -178.9 | 178.9 | -175.8 | 0 | 110.2 | D44 R45 | K41-D44 WeakPolarHBondContact O-CA 3.48Å; K41-D44 WeakPolarHBondContact O-CB 3.43Å; K41-D44 PolarHBondContact O-N 3.13Å; K41-R45 PolarHBondContact O-N 3.38Å | ||
| 42 | D | 87.5 | Confident | 92.3 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 148 | 169.7 | -66.9 | -41.8 | 0 | 0 | 0 | 111.4 | D44 R45 H102 | D42-D44 VanDerWaalsContact C-N 3.32Å; D42-R45 IonicContact OD1-CZ 3.83Å; D42-R45 VanDerWaalsContact OD1-CZ 3.31Å; D42-R45 IonicContact OD1-NE 3.39Å; D42-R45 PolarHBondContact OD1-NE 3.34Å; D42-R45 IonicContact OD1-NH2 2.7Å; D42-R45 PolarHBondContact OD1-NH2 3.45Å; D42-R45 IonicContact OD2-CZ 2.7Å; D42-R45 IonicContact OD2-NE 3.17Å; D42-R45 IonicContact OD2-NH2 2.75Å; D42-R45 PolarHBondContact OD2-NH2 2.87Å; D42-H102 PolarHBondContact O-CE1 3.04Å; D42-H102 VanDerWaalsContact O-CE1 3.3Å |
| 43 | P | 89.8 | Confident | 92.2 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.9 | -0.3 | -0.6 | 35.3 | -38.1 | 0 | 0 | 0 | 114.1 | R45 Q46 S101 | P43-R45 VanDerWaalsContact C-N 3.31Å; P43-R45 PolarHBondContact O-N 3.38Å; P43-Q46 WeakPolarHBondContact O-CG 3.41Å; P43-Q46 PolarHBondContact O-N 3.36Å; P43-Q46 PolarHBondContact O-NE2 3.1Å; P43-S101 WeakPolarHBondContact CD-OG 3.45Å; P43-S101 WeakPolarHBondContact CG-OG 3.43Å |
| 44 | D | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -70.7 | -19.9 | -165.6 | -58 | -25.7 | 0 | 0 | 0 | 114.6 | K41 D42 Q46 Y47 F48 F100 S101 H102 S105 | K41-D44 WeakPolarHBondContact O-CA 3.48Å; K41-D44 WeakPolarHBondContact O-CB 3.43Å; K41-D44 PolarHBondContact O-N 3.13Å; D42-D44 VanDerWaalsContact C-N 3.32Å; D44-Q46 PolarHBondContact O-N 3.36Å; D44-Y47 HydrophobicContact CB-CD2 4.15Å; D44-Y47 HydrophobicContact CB-CE2 4.32Å; D44-Y47 VanDerWaalsContact O-CD2 3.22Å; D44-Y47 WeakPolarHBondContact O-CD2 3.38Å; D44-Y47 PolarHBondContact O-N 3.18Å; D44-F48 WeakPolarHBondContact O-CD2 3.38Å; D44-F48 WeakPolarHBondContact O-CE2 3.39Å; D44-F100 HydrophobicContact CB-CD1 4.13Å; D44-S101 VanDerWaalsContact CG-N 3.31Å; D44-S101 WeakPolarHBondContact OD1-CB 3.3Å; D44-S101 PolarHBondContact OD1-N 3.01Å; D44-S101 PolarHBondContact OD1-OG 2.85Å; D44-S101 PolarHBondContact OD2-N 2.96Å; D44-S101 VanDerWaalsContact OD2-N 3.08Å; D44-H102 IonicContact OD2-CG 2.79Å; D44-H102 PolarHBondContact OD2-N 2.87Å; D44-H102 IonicContact OD2-ND1 3.46Å; D44-H102 PolarHBondContact OD2-ND1 2.93Å; D44-S105 VanDerWaalsContact CB-OG 3.28Å; D44-S105 WeakPolarHBondContact CB-OG 3.49Å; D44-S105 PolarHBondContact OD2-OG 3.4Å |
| 45 | R | 91.6 | Very high | 91.8 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -50.4 | -33.3 | 174.7 | -69.4 | -166.5 | -67.9 | 175.4 | -11.2 | 112.8 | N32 A35 L40 K41 D42 P43 Y47 F48 | N32-R45 PolarHBondContact OD1-NH1 3.4Å; A35-R45 HydrophobicContact CB-CG 4.11Å; L40-R45 HydrophobicContact CB-CG 4.28Å; K41-R45 PolarHBondContact O-N 3.38Å; D42-R45 IonicContact OD1-CZ 3.83Å; D42-R45 VanDerWaalsContact OD1-CZ 3.31Å; D42-R45 IonicContact OD1-NE 3.39Å; D42-R45 PolarHBondContact OD1-NE 3.34Å; D42-R45 IonicContact OD1-NH2 2.7Å; D42-R45 PolarHBondContact OD1-NH2 3.45Å; D42-R45 IonicContact OD2-CZ 2.7Å; D42-R45 IonicContact OD2-NE 3.17Å; D42-R45 IonicContact OD2-NH2 2.75Å; D42-R45 PolarHBondContact OD2-NH2 2.87Å; P43-R45 VanDerWaalsContact C-N 3.31Å; P43-R45 PolarHBondContact O-N 3.38Å; R45-Y47 PolarHBondContact O-N 3.13Å; R45-F48 PolarHBondContact O-N 3.48Å |
| 46 | Q | 91.2 | Very high | 91.6 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -61.3 | -28.1 | -176.4 | 78.7 | -171.1 | -89.8 | 0 | 0 | 114.2 | P43 D44 F48 Y92 | P43-Q46 WeakPolarHBondContact O-CG 3.41Å; P43-Q46 PolarHBondContact O-N 3.36Å; P43-Q46 PolarHBondContact O-NE2 3.1Å; D44-Q46 PolarHBondContact O-N 3.36Å; Q46-F48 PolarHBondContact O-N 3.2Å; Q46-Y92 WeakPolarHBondContact O-CD2 3.27Å; Q46-Y92 WeakPolarHBondContact O-CE2 3.45Å |
| 47 | Y | 94.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -73.9 | -16.2 | -175.6 | -58.7 | -65.4 | 0 | 0 | 0 | 113.1 | D44 R45 R91 Y92 V94 R99 F100 F309 | D44-Y47 HydrophobicContact CB-CD2 4.15Å; D44-Y47 HydrophobicContact CB-CE2 4.32Å; D44-Y47 VanDerWaalsContact O-CD2 3.22Å; D44-Y47 WeakPolarHBondContact O-CD2 3.38Å; D44-Y47 PolarHBondContact O-N 3.18Å; R45-Y47 PolarHBondContact O-N 3.13Å; Y47-R91 PolarHBondContact O-N 2.75Å; Y47-Y92 PolarHBondContact O-N 3.05Å; Y47-V94 HydrophobicContact CD1-CG1 3.92Å; Y47-V94 HydrophobicContact CE1-CG1 3.43Å; Y47-V94 VanDerWaalsContact CE1-CG1 3.43Å; Y47-R99 PolarHBondContact OH-O 2.92Å; Y47-F100 AromaticContact CD2-CD1 3.43Å; Y47-F100 HydrophobicContact CD2-CD1 3.43Å; Y47-F100 VanDerWaalsContact CD2-CD1 3.43Å; Y47-F100 AromaticContact CD2-CE1 3.15Å; Y47-F100 HydrophobicContact CD2-CE1 3.15Å; Y47-F100 HydrophobicContact CD2-CG 4.35Å; Y47-F100 AromaticContact CD2-CZ 3.83Å; Y47-F100 HydrophobicContact CD2-CZ 3.83Å; Y47-F100 AromaticContact CE2-CD1 3.68Å; Y47-F100 HydrophobicContact CE2-CD1 3.68Å; Y47-F100 AromaticContact CE2-CE1 3.85Å; Y47-F100 HydrophobicContact CE2-CE1 3.85Å; Y47-F100 HydrophobicContact CE2-CG 4.24Å; Y47-F100 HydrophobicContact CE2-CZ 4.46Å; Y47-F100 HydrophobicContact CG-CD1 4.31Å; Y47-F100 AromaticContact CG-CE1 3.61Å; Y47-F100 HydrophobicContact CG-CE1 3.61Å; Y47-F100 AromaticContact CG-CZ 3.87Å; Y47-F100 HydrophobicContact CG-CZ 3.87Å; Y47-F309 HydrophobicContact CD1-CE2 4.17Å; Y47-F309 AromaticContact CD1-CZ 3.99Å; Y47-F309 HydrophobicContact CD1-CZ 3.99Å; Y47-F309 HydrophobicContact CE1-CE2 4.08Å; Y47-F309 AromaticContact CE1-CZ 3.79Å; Y47-F309 HydrophobicContact CE1-CZ 3.79Å |
| 48 | F | 96 | Very high | 91.6 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 165.7 | -173 | -59.6 | -92.1 | 0 | 0 | 0 | 112.2 | L12 L40 D44 R45 Q46 H88 V90 F100 L108 | L12-F48 HydrophobicContact CD2-CD1 4.16Å; L12-F48 HydrophobicContact CD2-CE1 3.82Å; L40-F48 HydrophobicContact CD1-CB 4.4Å; L40-F48 HydrophobicContact CD1-CD1 4.22Å; L40-F48 HydrophobicContact CD1-CD2 3.57Å; L40-F48 HydrophobicContact CD1-CE1 4.43Å; L40-F48 HydrophobicContact CD1-CE2 3.82Å; L40-F48 HydrophobicContact CD1-CG 3.8Å; L40-F48 HydrophobicContact CD1-CZ 4.26Å; L40-F48 HydrophobicContact CD2-CD2 4.02Å; L40-F48 HydrophobicContact CD2-CE2 3.41Å; L40-F48 VanDerWaalsContact CD2-CE2 3.41Å; L40-F48 HydrophobicContact CD2-CZ 3.75Å; L40-F48 HydrophobicContact CG-CD2 4.46Å; L40-F48 HydrophobicContact CG-CE2 4.28Å; D44-F48 WeakPolarHBondContact O-CD2 3.38Å; D44-F48 WeakPolarHBondContact O-CE2 3.39Å; R45-F48 PolarHBondContact O-N 3.48Å; Q46-F48 PolarHBondContact O-N 3.2Å; F48-H88 WeakPolarHBondContact CB-NE2 3.49Å; F48-H88 AromaticContact CD1-NE2 3.79Å; F48-H88 AromaticContact CG-NE2 3.79Å; F48-V90 HydrophobicContact CD1-CG2 4.06Å; F48-V90 HydrophobicContact CE1-CG2 3.7Å; F48-V90 HydrophobicContact CZ-CG2 4.49Å; F48-F100 AromaticContact CE2-CE1 3.79Å; F48-F100 HydrophobicContact CE2-CE1 3.79Å; F48-F100 AromaticContact CZ-CE1 3.94Å; F48-F100 HydrophobicContact CZ-CE1 3.94Å; F48-L108 HydrophobicContact CE1-CB 4.03Å; F48-L108 HydrophobicContact CZ-CB 4.1Å |
| 49 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 174.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | R89 | G49-R89 PolarHBondContact N-O 2.95Å; G49-R89 PolarHBondContact O-N 3.15Å |
| 50 | L | 97 | Very high | 92.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.8 | 172 | -61.9 | 175.8 | 0 | 0 | 0 | 110.1 | I9 L30 L31 V34 L62 Y87 H88 | I9-L50 HydrophobicContact CG2-CD2 4.08Å; L30-L50 HydrophobicContact CB-CD1 4.04Å; L30-L50 HydrophobicContact CD2-CD1 3.85Å; L30-L50 HydrophobicContact CG-CD1 3.79Å; L31-L50 HydrophobicContact CD1-CG 4.32Å; V34-L50 HydrophobicContact CG2-CD2 4.35Å; L50-L62 HydrophobicContact CB-CD1 4.33Å; L50-L62 WeakPolarHBondContact O-CD1 3.25Å; L50-L62 PolarHBondContact O-N 2.92Å; L50-Y87 WeakPolarHBondContact CA-O 3.44Å; L50-H88 HydrophobicContact CD2-CB 4.18Å |
| 51 | A | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 166.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L59 Y60 W61 L86 Y87 | A51-L59 HydrophobicContact CB-CD1 3.54Å; A51-L59 HydrophobicContact CB-CD2 4.46Å; A51-L59 HydrophobicContact CB-CG 3.95Å; A51-Y60 CarbonylContact C-O 3.52Å; A51-Y60 WeakPolarHBondContact CA-O 3.42Å; A51-Y60 VanDerWaalsContact CB-O 3.26Å; A51-Y60 WeakPolarHBondContact CB-O 3.34Å; A51-W61 HydrophobicContact CB-CD2 4.1Å; A51-W61 HydrophobicContact CB-CE3 3.9Å; A51-W61 HydrophobicContact CB-CZ3 4.15Å; A51-L86 CarbonylContact O-C 3.58Å; A51-L86 WeakPolarHBondContact O-CA 3.47Å; A51-Y87 PolarHBondContact N-O 2.91Å; A51-Y87 PolarHBondContact O-N 2.58Å |
| 52 | F | 95.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 162 | 168.8 | 67.1 | -90.1 | 0 | 0 | 0 | 110.8 | Y60 L62 F73 P74 L86 | F52-Y60 HydrophobicContact CD2-CD2 4.45Å; F52-Y60 HydrophobicContact CD2-CG 4.49Å; F52-Y60 HydrophobicContact CE1-CG 4.44Å; F52-Y60 HydrophobicContact CE2-CD1 4.49Å; F52-Y60 HydrophobicContact CE2-CD2 4.01Å; F52-Y60 AromaticContact CE2-CG 3.83Å; F52-Y60 HydrophobicContact CE2-CG 3.83Å; F52-Y60 VanDerWaalsContact CZ-CB 3.46Å; F52-Y60 HydrophobicContact CZ-CD1 4.23Å; F52-Y60 HydrophobicContact CZ-CD2 4.46Å; F52-Y60 AromaticContact CZ-CG 3.82Å; F52-Y60 HydrophobicContact CZ-CG 3.82Å; F52-Y60 PolarHBondContact N-O 3.24Å; F52-Y60 PolarHBondContact O-N 3.39Å; F52-L62 HydrophobicContact CD1-CD1 3.85Å; F52-L62 HydrophobicContact CE1-CD1 4.45Å; F52-F73 AromaticContact CD1-CD1 3.7Å; F52-F73 HydrophobicContact CD1-CD1 3.7Å; F52-F73 AromaticContact CD1-CE1 3.57Å; F52-F73 HydrophobicContact CD1-CE1 3.57Å; F52-F73 HydrophobicContact CD2-CD1 4.34Å; F52-F73 AromaticContact CE1-CD1 3.77Å; F52-F73 HydrophobicContact CE1-CD1 3.77Å; F52-F73 AromaticContact CE1-CE1 3.79Å; F52-F73 HydrophobicContact CE1-CE1 3.79Å; F52-F73 HydrophobicContact CE2-CD1 4.43Å; F52-F73 AromaticContact CG-CD1 3.99Å; F52-F73 HydrophobicContact CG-CD1 3.99Å; F52-F73 HydrophobicContact CG-CE1 4.2Å; F52-F73 HydrophobicContact CZ-CD1 4.14Å; F52-P74 HydrophobicContact CD2-CG 4.28Å; F52-P74 HydrophobicContact CE2-CG 4.18Å; F52-L86 HydrophobicContact CB-CD2 4.2Å |
| 53 | Y | 92.3 | Very high | 92.9 | Very high | 83 Ų | 83 | 41 Ų | 41 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 146 | 172 | -68.8 | -74.5 | 0 | 0 | 0 | 111.2 | Q57 Q58 L59 Y87 | Y53-Q57 WeakPolarHBondContact CD1-O 3.48Å; Y53-Q58 WeakPolarHBondContact CA-O 3.35Å; Y53-L59 HydrophobicContact CD1-CB 4.23Å; Y53-L59 HydrophobicContact CD1-CD1 3.97Å; Y53-L59 HydrophobicContact CD2-CD1 4.5Å; Y53-L59 HydrophobicContact CE1-CB 3.93Å; Y53-L59 HydrophobicContact CE1-CD1 3.62Å; Y53-L59 HydrophobicContact CE1-CG 4.34Å; Y53-L59 HydrophobicContact CE2-CD1 4.17Å; Y53-L59 HydrophobicContact CG-CD1 4.41Å; Y53-Y87 AromaticContact CD2-CD2 3.9Å; Y53-Y87 HydrophobicContact CD2-CD2 3.9Å; Y53-Y87 AromaticContact CD2-CE2 3.55Å; Y53-Y87 HydrophobicContact CD2-CE2 3.55Å; Y53-Y87 AromaticContact CD2-CZ 3.97Å; Y53-Y87 HydrophobicContact CE2-CD1 4.49Å; Y53-Y87 HydrophobicContact CE2-CD2 4.07Å; Y53-Y87 HydrophobicContact CE2-CE1 4.4Å; Y53-Y87 AromaticContact CE2-CE2 4Å; Y53-Y87 HydrophobicContact CE2-CE2 4Å; Y53-Y87 HydrophobicContact CE2-CG 4.33Å |
| 54 | D | 89.7 | Confident | 92.9 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | trans | -86.4 | -175.7 | 166.5 | 72 | 2.8 | 0 | 0 | 0 | 112.6 | R56 Q57 Q58 Y60 P74 | D54-R56 PolarHBondContact O-N 3.43Å; D54-R56 VanDerWaalsContact O-N 3.11Å; D54-R56 VanDerWaalsContact OD1-CA 3.31Å; D54-R56 WeakPolarHBondContact OD1-CA 3.47Å; D54-R56 WeakPolarHBondContact OD1-CB 3.41Å; D54-R56 PolarHBondContact OD1-N 2.94Å; D54-Q57 PolarHBondContact O-N 3.22Å; D54-Q57 VanDerWaalsContact O-N 3.16Å; D54-Q57 PolarHBondContact OD1-N 3.42Å; D54-Q58 PolarHBondContact N-O 3.45Å; D54-Q58 WeakPolarHBondContact OD1-CB 3.42Å; D54-Q58 PolarHBondContact OD1-N 2.88Å; D54-Y60 HydrophobicContact CB-CD2 4.23Å; D54-Y60 HydrophobicContact CB-CE2 3.55Å; D54-Y60 VanDerWaalsContact CG-CE2 3.42Å; D54-Y60 WeakPolarHBondContact OD2-CE2 3.47Å; D54-Y60 PolarHBondContact OD2-OH 3.18Å; D54-P74 HydrophobicContact CB-CG 4.46Å | ||
| 55 | D | 88.1 | Confident | 92.7 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 66% | 0.658 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.5 | 176.3 | 58.3 | -58.1 | 0 | 0 | 0 | 114 | ||
| 56 | R | 88 | Confident | 92.7 | Very high | 130 Ų | 130 | 48.1 Ų | 48.1 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 12.8 | 178.6 | -58.1 | -177.2 | 175.9 | -127 | -17.7 | 112.9 | D54 Q58 D291 | D54-R56 PolarHBondContact O-N 3.43Å; D54-R56 VanDerWaalsContact O-N 3.11Å; D54-R56 VanDerWaalsContact OD1-CA 3.31Å; D54-R56 WeakPolarHBondContact OD1-CA 3.47Å; D54-R56 WeakPolarHBondContact OD1-CB 3.41Å; D54-R56 PolarHBondContact OD1-N 2.94Å; R56-Q58 HydrophobicContact CB-CG 4.11Å; R56-Q58 PolarHBondContact O-N 3.05Å; R56-Q58 VanDerWaalsContact O-N 3.15Å; R56-D291 IonicContact CZ-OD2 3.37Å; R56-D291 IonicContact NH1-OD2 2.7Å; R56-D291 PolarHBondContact NH1-OD2 3.43Å |
| 57 | Q | 89.9 | Confident | 92.9 | Very high | 137 Ų | 137 | 46.9 Ų | 46.9 | 64% | 0.64 | 21% | 0.212 | S | C | * | . | trans | 57.4 | 21.9 | -175.5 | -54.5 | -62.6 | -44.6 | 0 | 0 | 113.9 | Y53 D54 | Y53-Q57 WeakPolarHBondContact CD1-O 3.48Å; D54-Q57 PolarHBondContact O-N 3.22Å; D54-Q57 VanDerWaalsContact O-N 3.16Å; D54-Q57 PolarHBondContact OD1-N 3.42Å | ||
| 58 | Q | 90.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | trans | -79.4 | 137.5 | 171.9 | -57.7 | -66 | -63.9 | 0 | 0 | 109.2 | Y53 D54 R56 Y60 L295 | Y53-Q58 WeakPolarHBondContact CA-O 3.35Å; D54-Q58 PolarHBondContact N-O 3.45Å; D54-Q58 WeakPolarHBondContact OD1-CB 3.42Å; D54-Q58 PolarHBondContact OD1-N 2.88Å; R56-Q58 HydrophobicContact CB-CG 4.11Å; R56-Q58 PolarHBondContact O-N 3.05Å; R56-Q58 VanDerWaalsContact O-N 3.15Å; Q58-Y60 HydrophobicContact CB-CE2 3.93Å; Q58-Y60 VanDerWaalsContact O-CD2 3.24Å; Q58-Y60 WeakPolarHBondContact O-CD2 3.28Å; Q58-Y60 WeakPolarHBondContact O-CE2 3.33Å; Q58-L295 HydrophobicContact CB-CD1 3.75Å; Q58-L295 HydrophobicContact CG-CD1 3.95Å; Q58-L295 HydrophobicContact CG-CD2 4.45Å | ||
| 59 | L | 93.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.3 | -174.4 | -172.3 | 69 | 0 | 0 | 0 | 112 | A51 Y53 W61 Y212 N298 | A51-L59 HydrophobicContact CB-CD1 3.54Å; A51-L59 HydrophobicContact CB-CD2 4.46Å; A51-L59 HydrophobicContact CB-CG 3.95Å; Y53-L59 HydrophobicContact CD1-CB 4.23Å; Y53-L59 HydrophobicContact CD1-CD1 3.97Å; Y53-L59 HydrophobicContact CD2-CD1 4.5Å; Y53-L59 HydrophobicContact CE1-CB 3.93Å; Y53-L59 HydrophobicContact CE1-CD1 3.62Å; Y53-L59 HydrophobicContact CE1-CG 4.34Å; Y53-L59 HydrophobicContact CE2-CD1 4.17Å; Y53-L59 HydrophobicContact CG-CD1 4.41Å; L59-W61 HydrophobicContact CD2-CZ2 3.63Å; L59-Y212 WeakPolarHBondContact O-CE1 3.38Å; L59-Y212 PolarHBondContact O-OH 3.36Å; L59-N298 PolarHBondContact O-ND2 2.87Å |
| 60 | Y | 95.1 | Very high | 92.3 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.1 | 179.2 | -67.9 | -106.4 | 0 | 0 | 0 | 111.1 | A51 F52 D54 Q58 Q294 L295 N298 | A51-Y60 CarbonylContact C-O 3.52Å; A51-Y60 WeakPolarHBondContact CA-O 3.42Å; A51-Y60 VanDerWaalsContact CB-O 3.26Å; A51-Y60 WeakPolarHBondContact CB-O 3.34Å; F52-Y60 HydrophobicContact CD2-CD2 4.45Å; F52-Y60 HydrophobicContact CD2-CG 4.49Å; F52-Y60 HydrophobicContact CE1-CG 4.44Å; F52-Y60 HydrophobicContact CE2-CD1 4.49Å; F52-Y60 HydrophobicContact CE2-CD2 4.01Å; F52-Y60 AromaticContact CE2-CG 3.83Å; F52-Y60 HydrophobicContact CE2-CG 3.83Å; F52-Y60 VanDerWaalsContact CZ-CB 3.46Å; F52-Y60 HydrophobicContact CZ-CD1 4.23Å; F52-Y60 HydrophobicContact CZ-CD2 4.46Å; F52-Y60 AromaticContact CZ-CG 3.82Å; F52-Y60 HydrophobicContact CZ-CG 3.82Å; F52-Y60 PolarHBondContact N-O 3.24Å; F52-Y60 PolarHBondContact O-N 3.39Å; D54-Y60 HydrophobicContact CB-CD2 4.23Å; D54-Y60 HydrophobicContact CB-CE2 3.55Å; D54-Y60 VanDerWaalsContact CG-CE2 3.42Å; D54-Y60 WeakPolarHBondContact OD2-CE2 3.47Å; D54-Y60 PolarHBondContact OD2-OH 3.18Å; Q58-Y60 HydrophobicContact CB-CE2 3.93Å; Q58-Y60 VanDerWaalsContact O-CD2 3.24Å; Q58-Y60 WeakPolarHBondContact O-CD2 3.28Å; Q58-Y60 WeakPolarHBondContact O-CE2 3.33Å; Y60-Q294 HydrophobicContact CE1-CB 4.19Å; Y60-L295 HydrophobicContact CE2-CD1 4.44Å; Y60-N298 WeakPolarHBondContact CA-OD1 3.41Å; Y60-N298 HydrophobicContact CD1-CB 3.66Å; Y60-N298 HydrophobicContact CE1-CB 3.98Å; Y60-N298 HydrophobicContact CG-CB 4.5Å |
| 61 | W | 95.4 | Very high | 92 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 130 | 178.9 | -69.6 | 94.8 | 0 | 0 | 0 | 110.7 | A51 L59 R89 V90 R91 H210 N298 L302 | A51-W61 HydrophobicContact CB-CD2 4.1Å; A51-W61 HydrophobicContact CB-CE3 3.9Å; A51-W61 HydrophobicContact CB-CZ3 4.15Å; L59-W61 HydrophobicContact CD2-CZ2 3.63Å; W61-R89 HydrophobicContact CH2-CB 3.91Å; W61-V90 WeakPolarHBondContact CH2-O 3.36Å; W61-R91 HydrophobicContact CD2-CG 4.14Å; W61-R91 HydrophobicContact CE3-CB 4.13Å; W61-R91 HydrophobicContact CE3-CG 3.87Å; W61-R91 HydrophobicContact CH2-CB 3.8Å; W61-R91 HydrophobicContact CH2-CG 4.22Å; W61-R91 HydrophobicContact CZ2-CB 4.42Å; W61-R91 HydrophobicContact CZ2-CG 4.47Å; W61-R91 HydrophobicContact CZ3-CB 3.63Å; W61-R91 HydrophobicContact CZ3-CG 3.91Å; W61-H210 AromaticContact CZ2-CE1 3.54Å; W61-H210 AromaticContact CZ2-ND1 3.91Å; W61-H210 AromaticContact NE1-ND1 3.99Å; W61-N298 PolarHBondContact N-OD1 2.86Å; W61-L302 HydrophobicContact CG-CD1 4.21Å |
| 62 | L | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 150.6 | 173.4 | -74.1 | 78.1 | 0 | 0 | 0 | 110.1 | V27 L50 F52 V68 F73 L86 R91 | V27-L62 HydrophobicContact CB-CB 4.5Å; V27-L62 HydrophobicContact CG1-CB 3.74Å; V27-L62 HydrophobicContact CG1-CD2 4.4Å; V27-L62 HydrophobicContact CG2-CB 3.92Å; V27-L62 HydrophobicContact CG2-CD2 3.68Å; V27-L62 HydrophobicContact CG2-CG 4.4Å; L50-L62 HydrophobicContact CB-CD1 4.33Å; L50-L62 WeakPolarHBondContact O-CD1 3.25Å; L50-L62 PolarHBondContact O-N 2.92Å; F52-L62 HydrophobicContact CD1-CD1 3.85Å; F52-L62 HydrophobicContact CE1-CD1 4.45Å; L62-V68 HydrophobicContact CD2-CG1 4.23Å; L62-F73 HydrophobicContact CD2-CZ 4.39Å; L62-L86 HydrophobicContact CD1-CD2 4.19Å; L62-L86 HydrophobicContact CD2-CD2 4.49Å; L62-R91 PolarHBondContact O-NH1 3.33Å |
| 63 | N | 92.2 | Very high | 91.2 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 119.2 | 170.1 | 179.9 | -14.7 | 0 | 0 | 0 | 109.1 | V27 E65 R66 H71 | V27-N63 WeakPolarHBondContact CB-O 3.35Å; V27-N63 WeakPolarHBondContact CG2-O 3.43Å; N63-E65 PolarHBondContact O-N 3.02Å; N63-E65 VanDerWaalsContact O-N 3.16Å; N63-E65 WeakPolarHBondContact OD1-CB 3.33Å; N63-E65 PolarHBondContact OD1-N 3.1Å; N63-R66 HydrophobicContact CB-CB 4.5Å; N63-R66 HydrophobicContact CB-CG 4.16Å; N63-R66 PolarHBondContact O-N 2.97Å; N63-H71 PolarHBondContact N-NE2 2.72Å |
| 64 | N | 90.6 | Very high | 90.5 | Very high | 53 Ų | 53 | 58 Ų | 58 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31.1 | 179.8 | -67.2 | 28.5 | 0 | 0 | 0 | 113.9 | T28 R66 | T28-N64 PolarHBondContact N-O 2.97Å; T28-N64 PolarHBondContact OG1-O 3.24Å; N64-R66 VanDerWaalsContact C-N 3.35Å |
| 65 | E | 87.2 | Confident | 89.3 | Confident | 144 Ų | 144 | 65.7 Ų | 65.7 | 67% | 0.673 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.9 | -178.5 | -57.5 | 173.1 | 156.3 | 0 | 0 | 113.8 | N63 | N63-E65 PolarHBondContact O-N 3.02Å; N63-E65 VanDerWaalsContact O-N 3.16Å; N63-E65 WeakPolarHBondContact OD1-CB 3.33Å; N63-E65 PolarHBondContact OD1-N 3.1Å |
| 66 | R | 92.7 | Very high | 87.9 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -100.4 | 161.2 | -174.8 | -69.4 | -175.6 | 178.2 | -124.7 | -8.8 | 112.1 | S26 V27 N63 N64 | S26-R66 WeakPolarHBondContact CA-O 3.21Å; V27-R66 WeakPolarHBondContact CG2-O 3.3Å; V27-R66 PolarHBondContact N-O 3.46Å; N63-R66 HydrophobicContact CB-CB 4.5Å; N63-R66 HydrophobicContact CB-CG 4.16Å; N63-R66 PolarHBondContact O-N 2.97Å; N64-R66 VanDerWaalsContact C-N 3.35Å |
| 67 | Q | 94.1 | Very high | 86.3 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 145.7 | 167.8 | -61.3 | 178.1 | -2.1 | 0 | 0 | 109.6 | T23 L25 L69 D70 H71 | T23-Q67 WeakPolarHBondContact O-CB 3.42Å; T23-Q67 PolarHBondContact O-OE1 2.99Å; L25-Q67 WeakPolarHBondContact O-CA 3.22Å; Q67-L69 PolarHBondContact O-N 3.35Å; Q67-D70 HydrophobicContact CB-CB 4.41Å; Q67-D70 WeakPolarHBondContact CB-OD2 3.46Å; Q67-D70 PolarHBondContact O-N 2.84Å; Q67-H71 PolarHBondContact O-CE1 2.89Å; Q67-H71 PolarHBondContact O-ND1 3.23Å |
| 68 | V | 92.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -59.2 | -40.8 | -176.7 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | V21 L25 V27 L30 L62 D70 H71 F73 L86 | V21-V68 HydrophobicContact CG1-CB 3.78Å; V21-V68 HydrophobicContact CG1-CG1 3.88Å; V21-V68 HydrophobicContact CG1-CG2 4.34Å; L25-V68 PolarHBondContact O-N 3.35Å; V27-V68 HydrophobicContact CG2-CB 4.45Å; V27-V68 HydrophobicContact CG2-CG2 3.87Å; L30-V68 HydrophobicContact CB-CG2 4.07Å; L30-V68 HydrophobicContact CD2-CG1 4.12Å; L30-V68 HydrophobicContact CD2-CG2 3.73Å; L62-V68 HydrophobicContact CD2-CG1 4.23Å; V68-D70 PolarHBondContact O-N 3.47Å; V68-H71 PolarHBondContact O-ND1 3.42Å; V68-F73 HydrophobicContact CG1-CZ 4.42Å; V68-F73 VanDerWaalsContact O-CE2 3.24Å; V68-F73 WeakPolarHBondContact O-CE2 3.32Å; V68-F73 VanDerWaalsContact O-CZ 3.3Å; V68-F73 WeakPolarHBondContact O-CZ 3.02Å; V68-L86 HydrophobicContact CG1-CD1 4.22Å |
| 69 | L | 91.3 | Very high | 82.6 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -82 | -5.2 | -177.2 | -55.3 | -169.6 | 0 | 0 | 0 | 114.9 | R5 V21 T23 Q67 H71 L84 | R5-L69 HydrophobicContact CB-CD1 3.98Å; R5-L69 HydrophobicContact CB-CD2 4.04Å; R5-L69 HydrophobicContact CG-CD2 4.45Å; V21-L69 HydrophobicContact CG1-CD1 4.42Å; V21-L69 HydrophobicContact CG1-CD2 3.84Å; V21-L69 HydrophobicContact CG1-CG 3.93Å; T23-L69 HydrophobicContact CG2-CD1 4.25Å; Q67-L69 PolarHBondContact O-N 3.35Å; L69-H71 PolarHBondContact O-N 3.29Å; L69-L84 HydrophobicContact CD2-CD2 4.44Å |
| 70 | D | 91.1 | Very high | 80.5 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -76.9 | -2.7 | 171.3 | -72.2 | -18.2 | 0 | 0 | 0 | 113.1 | Q67 V68 | Q67-D70 HydrophobicContact CB-CB 4.41Å; Q67-D70 WeakPolarHBondContact CB-OD2 3.46Å; Q67-D70 PolarHBondContact O-N 2.84Å; V68-D70 PolarHBondContact O-N 3.47Å |
| 71 | H | 90.4 | Very high | 78.8 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 15% | 0.148 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -89 | 138.4 | -179.6 | -67.3 | 80.5 | 0 | 0 | 0 | 111.6 | N63 Q67 V68 L69 F73 | N63-H71 PolarHBondContact N-NE2 2.72Å; Q67-H71 PolarHBondContact O-CE1 2.89Å; Q67-H71 PolarHBondContact O-ND1 3.23Å; V68-H71 PolarHBondContact O-ND1 3.42Å; L69-H71 PolarHBondContact O-N 3.29Å; H71-F73 HydrophobicContact CB-CE1 4.13Å; H71-F73 HydrophobicContact CB-CE2 3.93Å; H71-F73 HydrophobicContact CB-CZ 3.71Å; H71-F73 WeakPolarHBondContact O-CD2 3.37Å; H71-F73 PolarHBondContact O-N 3.18Å |
| 72 | E | 86.5 | Confident | 77.8 | Confident | 123 Ų | 123 | 71 Ų | 71 | 58% | 0.575 | 40% | 0.402 | S | S | * | . | trans | -74 | 87 | 176.5 | -70.6 | 171.6 | -135.6 | 0 | 0 | 110.7 | Q294 | E72-Q294 WeakPolarHBondContact OE2-CG 3.41Å; E72-Q294 PolarHBondContact OE2-NE2 2.68Å | ||
| 73 | F | 87 | Confident | 77.3 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 8% | 0.079 | 41% | 0.413 | C | S | . | . | trans | -78.9 | 152.1 | 175.2 | -60.4 | -67.7 | 0 | 0 | 0 | 112.5 | F52 L62 V68 H71 L84 L86 | F52-F73 AromaticContact CD1-CD1 3.7Å; F52-F73 HydrophobicContact CD1-CD1 3.7Å; F52-F73 AromaticContact CD1-CE1 3.57Å; F52-F73 HydrophobicContact CD1-CE1 3.57Å; F52-F73 HydrophobicContact CD2-CD1 4.34Å; F52-F73 AromaticContact CE1-CD1 3.77Å; F52-F73 HydrophobicContact CE1-CD1 3.77Å; F52-F73 AromaticContact CE1-CE1 3.79Å; F52-F73 HydrophobicContact CE1-CE1 3.79Å; F52-F73 HydrophobicContact CE2-CD1 4.43Å; F52-F73 AromaticContact CG-CD1 3.99Å; F52-F73 HydrophobicContact CG-CD1 3.99Å; F52-F73 HydrophobicContact CG-CE1 4.2Å; F52-F73 HydrophobicContact CZ-CD1 4.14Å; L62-F73 HydrophobicContact CD2-CZ 4.39Å; V68-F73 HydrophobicContact CG1-CZ 4.42Å; V68-F73 VanDerWaalsContact O-CE2 3.24Å; V68-F73 WeakPolarHBondContact O-CE2 3.32Å; V68-F73 VanDerWaalsContact O-CZ 3.3Å; V68-F73 WeakPolarHBondContact O-CZ 3.02Å; H71-F73 HydrophobicContact CB-CE1 4.13Å; H71-F73 HydrophobicContact CB-CE2 3.93Å; H71-F73 HydrophobicContact CB-CZ 3.71Å; H71-F73 WeakPolarHBondContact O-CD2 3.37Å; H71-F73 PolarHBondContact O-N 3.18Å; F73-L84 HydrophobicContact CB-CD1 4.19Å; F73-L84 HydrophobicContact CD1-CD1 3.52Å; F73-L84 HydrophobicContact CD1-CD2 4.5Å; F73-L84 HydrophobicContact CD2-CD1 4.03Å; F73-L84 HydrophobicContact CD2-CD2 4.11Å; F73-L84 HydrophobicContact CE1-CD1 3.81Å; F73-L84 HydrophobicContact CE1-CD2 4.08Å; F73-L84 HydrophobicContact CE2-CD1 4.29Å; F73-L84 HydrophobicContact CE2-CD2 3.66Å; F73-L84 HydrophobicContact CG-CD1 3.63Å; F73-L84 HydrophobicContact CZ-CD1 4.18Å; F73-L84 HydrophobicContact CZ-CD2 3.64Å; F73-L86 HydrophobicContact CE1-CD2 3.89Å; F73-L86 HydrophobicContact CZ-CD2 4.38Å | ||
| 74 | P | 78.2 | Confident | 77.2 | Confident | 35 Ų | 35 | 71 Ų | 71 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | trans | -54.8 | 146.5 | 176.7 | -26.2 | 35.2 | 0 | 0 | 0 | 112.8 | F52 D54 Q76 A77 S78 | F52-P74 HydrophobicContact CD2-CG 4.28Å; F52-P74 HydrophobicContact CE2-CG 4.18Å; D54-P74 HydrophobicContact CB-CG 4.46Å; P74-Q76 PolarHBondContact O-N 2.79Å; P74-A77 PolarHBondContact O-N 3.07Å; P74-S78 PolarHBondContact O-OG 2.85Å; P74-S78 VanDerWaalsContact O-OG 3.14Å | ||
| 75 | K | 65.5 | Low | 77.3 | Confident | 177 Ų | 177 | 71.8 Ų | 71.8 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -60.3 | -32.9 | -176.3 | -69.1 | -177.4 | 178.7 | 179.1 | 0 | 112.9 | A77 S78 S79 | K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.22Å; K75-S78 CarbonylContact O-C 3.6Å; K75-S78 WeakPolarHBondContact O-CA 3.25Å; K75-S78 WeakPolarHBondContact O-CB 3.49Å; K75-S78 PolarHBondContact O-N 2.79Å; K75-S79 WeakPolarHBondContact O-CB 3.1Å; K75-S79 PolarHBondContact O-N 2.99Å; K75-S79 VanDerWaalsContact O-N 3.08Å; K75-S79 PolarHBondContact O-OG 3.28Å; K75-S79 VanDerWaalsContact O-OG 3.05Å |
| 76 | Q | 57 | Low | 77.7 | Confident | 164 Ų | 164 | 65 Ų | 65 | 77% | 0.766 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -58.8 | -38 | 175.5 | -69.1 | -178.4 | -8.5 | 0 | 0 | 112.9 | P74 S78 | P74-Q76 PolarHBondContact O-N 2.79Å; Q76-S78 PolarHBondContact O-N 2.87Å |
| 77 | A | 56.3 | Low | 77.9 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -72.1 | -4.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R5 P74 K75 L84 | R5-A77 PolarHBondContact NH2-O 2.98Å; P74-A77 PolarHBondContact O-N 3.07Å; K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.22Å; A77-L84 HydrophobicContact CB-CD1 4.32Å |
| 78 | S | 51.1 | Low | 78 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -126.7 | -4.8 | -165.2 | -51 | 0 | 0 | 0 | 0 | 114.5 | R5 P74 K75 Q76 | R5-S78 PolarHBondContact NH2-OG 3.35Å; P74-S78 PolarHBondContact O-OG 2.85Å; P74-S78 VanDerWaalsContact O-OG 3.14Å; K75-S78 CarbonylContact O-C 3.6Å; K75-S78 WeakPolarHBondContact O-CA 3.25Å; K75-S78 WeakPolarHBondContact O-CB 3.49Å; K75-S78 PolarHBondContact O-N 2.79Å; Q76-S78 PolarHBondContact O-N 2.87Å |
| 79 | S | 51.9 | Low | 78.2 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -118 | -4.4 | -168.3 | -64.3 | 0 | 0 | 0 | 0 | 116.5 | K75 | K75-S79 WeakPolarHBondContact O-CB 3.1Å; K75-S79 PolarHBondContact O-N 2.99Å; K75-S79 VanDerWaalsContact O-N 3.08Å; K75-S79 PolarHBondContact O-OG 3.28Å; K75-S79 VanDerWaalsContact O-OG 3.05Å |
| 80 | S | 48.5 | Very low | 78.5 | Confident | 99 Ų | 99 | 58.6 Ų | 58.6 | 69% | 0.692 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -149.7 | 35.8 | -170.1 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | G82 | S80-G82 PolarHBondContact O-N 3.43Š|
| 81 | G | 58.8 | Low | 78.7 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 88% | 0.876 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 66.7 | 2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 82 | G | 74.4 | Confident | 78.9 | Confident | 41 Ų | 41 | 55 Ų | 55 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S80 | S80-G82 PolarHBondContact O-N 3.43Š|
| 83 | A | 84.8 | Confident | 79.3 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R6 Q8 I85 | R6-A83 HydrophobicContact CB-CB 4.46Å; R6-A83 HydrophobicContact CG-CB 3.97Å; R6-A83 CarbonylContact O-C 3.55Å; R6-A83 VanDerWaalsContact O-CA 3.27Å; R6-A83 WeakPolarHBondContact O-CA 3.35Å; Q8-A83 HydrophobicContact CB-CB 4.27Å; A83-I85 PolarHBondContact O-N 2.6Å |
| 84 | L | 90.2 | Very high | 79.5 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 120.2 | 167.2 | 170.3 | 63.2 | 0 | 0 | 0 | 108.7 | R6 T7 Q8 L69 F73 A77 L86 | R6-L84 PolarHBondContact O-N 3.12Å; T7-L84 CarbonylContact C-O 3.58Å; T7-L84 VanDerWaalsContact CA-O 3.22Å; T7-L84 WeakPolarHBondContact CA-O 3.4Å; T7-L84 HydrophobicContact CG2-CB 4.19Å; T7-L84 HydrophobicContact CG2-CD2 4.17Å; T7-L84 HydrophobicContact CG2-CG 4.15Å; T7-L84 WeakPolarHBondContact CG2-O 3.35Å; Q8-L84 PolarHBondContact N-O 3.12Å; L69-L84 HydrophobicContact CD2-CD2 4.44Å; F73-L84 HydrophobicContact CB-CD1 4.19Å; F73-L84 HydrophobicContact CD1-CD1 3.52Å; F73-L84 HydrophobicContact CD1-CD2 4.5Å; F73-L84 HydrophobicContact CD2-CD1 4.03Å; F73-L84 HydrophobicContact CD2-CD2 4.11Å; F73-L84 HydrophobicContact CE1-CD1 3.81Å; F73-L84 HydrophobicContact CE1-CD2 4.08Å; F73-L84 HydrophobicContact CE2-CD1 4.29Å; F73-L84 HydrophobicContact CE2-CD2 3.66Å; F73-L84 HydrophobicContact CG-CD1 3.63Å; F73-L84 HydrophobicContact CZ-CD1 4.18Å; F73-L84 HydrophobicContact CZ-CD2 3.64Å; A77-L84 HydrophobicContact CB-CD1 4.32Å; L84-L86 HydrophobicContact CD1-CD2 4.32Å; L84-L86 HydrophobicContact CD2-CD2 4.27Å; L84-L86 HydrophobicContact CD2-CG 4.39Å; L84-L86 HydrophobicContact CG-CD2 4.16Å; L84-L86 HydrophobicContact CG-CG 4.23Å |
| 85 | I | 93.3 | Very high | 80.1 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 36% | 0.359 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.8 | 177.5 | -54.2 | -179.8 | 0 | 0 | 0 | 109.3 | Q8 V10 A83 Y87 | Q8-I85 WeakPolarHBondContact O-CA 3.19Å; V10-I85 HydrophobicContact CG2-CG2 4.17Å; A83-I85 PolarHBondContact O-N 2.6Å; I85-Y87 HydrophobicContact CG2-CD2 4.45Å; I85-Y87 HydrophobicContact CG2-CE2 3.7Å |
| 86 | L | 96.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 156.3 | 170.7 | -59 | -179.7 | 0 | 0 | 0 | 109.6 | T7 Q8 I9 V10 L30 A51 F52 L62 V68 F73 L84 | T7-L86 HydrophobicContact CG2-CD1 3.79Å; T7-L86 HydrophobicContact CG2-CG 3.95Å; Q8-L86 PolarHBondContact O-N 2.68Å; I9-L86 CarbonylContact C-O 3.6Å; I9-L86 WeakPolarHBondContact CA-O 3.23Å; I9-L86 HydrophobicContact CG1-CB 4.36Å; V10-L86 PolarHBondContact N-O 2.84Å; L30-L86 HydrophobicContact CD2-CD1 3.93Å; A51-L86 CarbonylContact O-C 3.58Å; A51-L86 WeakPolarHBondContact O-CA 3.47Å; F52-L86 HydrophobicContact CB-CD2 4.2Å; L62-L86 HydrophobicContact CD1-CD2 4.19Å; L62-L86 HydrophobicContact CD2-CD2 4.49Å; V68-L86 HydrophobicContact CG1-CD1 4.22Å; F73-L86 HydrophobicContact CE1-CD2 3.89Å; F73-L86 HydrophobicContact CZ-CD2 4.38Å; L84-L86 HydrophobicContact CD1-CD2 4.32Å; L84-L86 HydrophobicContact CD2-CD2 4.27Å; L84-L86 HydrophobicContact CD2-CG 4.39Å; L84-L86 HydrophobicContact CG-CD2 4.16Å; L84-L86 HydrophobicContact CG-CG 4.23Å |
| 87 | Y | 96.7 | Very high | 83 | Confident | 56 Ų | 56 | 38 Ų | 38 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.4 | 177.5 | -62.6 | -94.1 | 0 | 0 | 0 | 109.3 | V10 L50 A51 Y53 I85 | V10-Y87 HydrophobicContact CB-CD1 3.67Å; V10-Y87 HydrophobicContact CB-CE1 3.92Å; V10-Y87 HydrophobicContact CB-CG 4.48Å; V10-Y87 HydrophobicContact CG1-CD1 4.1Å; V10-Y87 HydrophobicContact CG1-CE1 4.23Å; V10-Y87 HydrophobicContact CG2-CD1 4.07Å; V10-Y87 HydrophobicContact CG2-CE1 3.84Å; L50-Y87 WeakPolarHBondContact CA-O 3.44Å; A51-Y87 PolarHBondContact N-O 2.91Å; A51-Y87 PolarHBondContact O-N 2.58Å; Y53-Y87 AromaticContact CD2-CD2 3.9Å; Y53-Y87 HydrophobicContact CD2-CD2 3.9Å; Y53-Y87 AromaticContact CD2-CE2 3.55Å; Y53-Y87 HydrophobicContact CD2-CE2 3.55Å; Y53-Y87 AromaticContact CD2-CZ 3.97Å; Y53-Y87 HydrophobicContact CE2-CD1 4.49Å; Y53-Y87 HydrophobicContact CE2-CD2 4.07Å; Y53-Y87 HydrophobicContact CE2-CE1 4.4Å; Y53-Y87 AromaticContact CE2-CE2 4Å; Y53-Y87 HydrophobicContact CE2-CE2 4Å; Y53-Y87 HydrophobicContact CE2-CG 4.33Å; I85-Y87 HydrophobicContact CG2-CD2 4.45Å; I85-Y87 HydrophobicContact CG2-CE2 3.7Å |
| 88 | H | 96.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.9 | 165.3 | -179.3 | -144.7 | 0 | 0 | 0 | 107.9 | I9 V10 L11 L12 V34 C38 F48 L50 | I9-H88 HydrophobicContact CG2-CB 4.23Å; V10-H88 PolarHBondContact O-N 3.03Å; L11-H88 HydrophobicContact CD2-CB 4.11Å; L12-H88 HydrophobicContact CD1-CB 3.95Å; L12-H88 VanDerWaalsContact CD1-CG 3.49Å; L12-H88 WeakPolarHBondContact CD1-ND1 3.35Å; L12-H88 WeakPolarHBondContact CD1-O 3.2Å; V34-H88 HydrophobicContact CG1-CB 3.8Å; V34-H88 VanDerWaalsContact CG1-ND1 3.29Å; V34-H88 WeakPolarHBondContact CG1-ND1 3.31Å; C38-H88 PolarHBondContact SG-ND1 3.43Å; F48-H88 WeakPolarHBondContact CB-NE2 3.49Å; F48-H88 AromaticContact CD1-NE2 3.79Å; F48-H88 AromaticContact CG-NE2 3.79Å; L50-H88 HydrophobicContact CD2-CB 4.18Å |
| 89 | R | 96.4 | Very high | 86.5 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158 | -173.7 | -63.8 | -66.4 | 174.3 | -166 | -4.9 | 110.6 | E14 G49 W61 R91 | E14-R89 IonicContact OE1-CZ 3.28Å; E14-R89 IonicContact OE1-NH1 3.14Å; E14-R89 PolarHBondContact OE1-NH1 2.98Å; E14-R89 VanDerWaalsContact OE1-NH1 3.14Å; E14-R89 IonicContact OE1-NH2 3.81Å; E14-R89 PolarHBondContact OE1-NH2 3.49Å; E14-R89 IonicContact OE2-NH2 2.71Å; E14-R89 PolarHBondContact OE2-NH2 3.3Å; G49-R89 PolarHBondContact N-O 2.95Å; G49-R89 PolarHBondContact O-N 3.15Å; W61-R89 HydrophobicContact CH2-CB 3.91Å; R89-R91 PolarHBondContact O-N 2.99Å |
| 90 | V | 96.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 121 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | L12 F48 W61 F93 L109 Q112 | L12-V90 HydrophobicContact CD2-CG2 4.06Å; F48-V90 HydrophobicContact CD1-CG2 4.06Å; F48-V90 HydrophobicContact CE1-CG2 3.7Å; F48-V90 HydrophobicContact CZ-CG2 4.49Å; W61-V90 WeakPolarHBondContact CH2-O 3.36Å; V90-F93 HydrophobicContact CB-CE1 4.22Å; V90-F93 HydrophobicContact CB-CE2 3.97Å; V90-F93 HydrophobicContact CB-CZ 3.77Å; V90-F93 HydrophobicContact CG1-CD1 4.11Å; V90-F93 HydrophobicContact CG1-CD2 3.92Å; V90-F93 HydrophobicContact CG1-CE1 4Å; V90-F93 HydrophobicContact CG1-CE2 3.8Å; V90-F93 HydrophobicContact CG1-CG 4.08Å; V90-F93 HydrophobicContact CG1-CZ 3.85Å; V90-F93 WeakPolarHBondContact O-CE2 3.38Å; V90-L109 HydrophobicContact CG1-CD1 4.4Å; V90-L109 HydrophobicContact CG2-CD1 4.21Å; V90-Q112 HydrophobicContact CB-CG 4.19Å; V90-Q112 HydrophobicContact CG2-CB 3.99Å; V90-Q112 HydrophobicContact CG2-CG 3.98Å |
| 91 | R | 95.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 32 Ų | 32 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | trans | -90.5 | -50.6 | 179.3 | -174.2 | 173.3 | 177.2 | 140.7 | 5.1 | 110.4 | Y47 W61 L62 R89 H210 Q306 | Y47-R91 PolarHBondContact O-N 2.75Å; W61-R91 HydrophobicContact CD2-CG 4.14Å; W61-R91 HydrophobicContact CE3-CB 4.13Å; W61-R91 HydrophobicContact CE3-CG 3.87Å; W61-R91 HydrophobicContact CH2-CB 3.8Å; W61-R91 HydrophobicContact CH2-CG 4.22Å; W61-R91 HydrophobicContact CZ2-CB 4.42Å; W61-R91 HydrophobicContact CZ2-CG 4.47Å; W61-R91 HydrophobicContact CZ3-CB 3.63Å; W61-R91 HydrophobicContact CZ3-CG 3.91Å; L62-R91 PolarHBondContact O-NH1 3.33Å; R89-R91 PolarHBondContact O-N 2.99Å; R91-H210 PolarHBondContact O-NE2 3.42Å; R91-Q306 PolarHBondContact O-NE2 3.44Å | ||
| 92 | Y | 95.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 15% | 0.145 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -108.6 | 113.2 | -178.7 | -51.1 | -73.5 | 0 | 0 | 0 | 110 | Q46 Y47 A305 F309 | Q46-Y92 WeakPolarHBondContact O-CD2 3.27Å; Q46-Y92 WeakPolarHBondContact O-CE2 3.45Å; Y47-Y92 PolarHBondContact O-N 3.05Å; Y92-A305 HydrophobicContact CE1-CB 4.24Å; Y92-F309 HydrophobicContact CD1-CB 3.67Å; Y92-F309 AromaticContact CD1-CD1 3.93Å; Y92-F309 HydrophobicContact CD1-CD1 3.93Å; Y92-F309 HydrophobicContact CD1-CD2 4.23Å; Y92-F309 AromaticContact CD1-CG 3.65Å; Y92-F309 HydrophobicContact CD1-CG 3.65Å; Y92-F309 HydrophobicContact CD2-CD2 4.2Å; Y92-F309 HydrophobicContact CD2-CG 4.44Å; Y92-F309 HydrophobicContact CE1-CB 3.8Å; Y92-F309 HydrophobicContact CE1-CG 4.24Å; Y92-F309 HydrophobicContact CG-CB 4.25Å; Y92-F309 HydrophobicContact CG-CD1 4.03Å; Y92-F309 AromaticContact CG-CD2 3.93Å; Y92-F309 HydrophobicContact CG-CD2 3.93Å; Y92-F309 HydrophobicContact CG-CE1 4.44Å; Y92-F309 HydrophobicContact CG-CE2 4.34Å; Y92-F309 AromaticContact CG-CG 3.77Å; Y92-F309 HydrophobicContact CG-CG 3.77Å |
| 93 | F | 94.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | trans | -87.8 | 132.6 | 174.4 | -73.6 | -97.6 | 0 | 0 | 0 | 109.9 | V90 L109 Q112 V113 L116 Y207 G208 | V90-F93 HydrophobicContact CB-CE1 4.22Å; V90-F93 HydrophobicContact CB-CE2 3.97Å; V90-F93 HydrophobicContact CB-CZ 3.77Å; V90-F93 HydrophobicContact CG1-CD1 4.11Å; V90-F93 HydrophobicContact CG1-CD2 3.92Å; V90-F93 HydrophobicContact CG1-CE1 4Å; V90-F93 HydrophobicContact CG1-CE2 3.8Å; V90-F93 HydrophobicContact CG1-CG 4.08Å; V90-F93 HydrophobicContact CG1-CZ 3.85Å; V90-F93 WeakPolarHBondContact O-CE2 3.38Å; F93-L109 HydrophobicContact CD1-CD1 4Å; F93-L109 HydrophobicContact CE1-CD1 3.93Å; F93-Q112 HydrophobicContact CZ-CG 4.12Å; F93-V113 HydrophobicContact CE1-CG1 4.07Å; F93-L116 HydrophobicContact CE1-CD1 4.38Å; F93-L116 HydrophobicContact CZ-CD1 3.82Å; F93-Y207 HydrophobicContact CD1-CD2 4.39Å; F93-Y207 AromaticContact CD1-CE2 3.72Å; F93-Y207 HydrophobicContact CD1-CE2 3.72Å; F93-Y207 AromaticContact CD1-CZ 3.91Å; F93-Y207 HydrophobicContact CE1-CE2 4.28Å; F93-G208 VanDerWaalsContact CD2-CA 3.49Å | ||
| 94 | V | 92 | Very high | 93 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | trans | -95.6 | 149.7 | -179.9 | -72.7 | 0 | 0 | 0 | 0 | 110.9 | Y47 T96 R99 F100 Y207 F309 | Y47-V94 HydrophobicContact CD1-CG1 3.92Å; Y47-V94 HydrophobicContact CE1-CG1 3.43Å; Y47-V94 VanDerWaalsContact CE1-CG1 3.43Å; V94-T96 WeakPolarHBondContact CG2-O 3.49Å; V94-T96 PolarHBondContact O-N 3.1Å; V94-R99 HydrophobicContact CB-CB 4.04Å; V94-R99 HydrophobicContact CB-CG 4.16Å; V94-R99 HydrophobicContact CG1-CB 3.92Å; V94-R99 HydrophobicContact CG1-CG 4.3Å; V94-R99 HydrophobicContact CG2-CB 4.21Å; V94-F100 HydrophobicContact CG2-CD2 4.06Å; V94-F100 HydrophobicContact CG2-CE2 3.59Å; V94-Y207 VanDerWaalsContact O-CE1 3.26Å; V94-Y207 WeakPolarHBondContact O-CE1 3.36Å; V94-Y207 PolarHBondContact O-OH 2.95Å; V94-F309 HydrophobicContact CG1-CZ 4.28Å | ||
| 95 | D | 89.2 | Confident | 93.2 | Very high | 104 Ų | 104 | 28.6 Ų | 28.6 | 56% | 0.556 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -61.5 | -23.5 | 178.2 | 62.9 | -12.7 | 0 | 0 | 0 | 114 | R99 | D95-R99 IonicContact OD1-CZ 3.9Å; D95-R99 VanDerWaalsContact OD1-CZ 3.23Å; D95-R99 IonicContact OD1-NE 3.78Å; D95-R99 PolarHBondContact OD1-NE 3.41Å; D95-R99 IonicContact OD1-NH2 3.93Å; D95-R99 PolarHBondContact OD1-NH2 3.2Å; D95-R99 IonicContact OD2-CZ 3.07Å; D95-R99 IonicContact OD2-NE 3.88Å; D95-R99 IonicContact OD2-NH2 2.73Å; D95-R99 PolarHBondContact OD2-NH2 3.47Å |
| 96 | T | 91.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 22% | 0.221 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -145.4 | 144.5 | 163.8 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | V94 L98 R99 E202 | V94-T96 WeakPolarHBondContact CG2-O 3.49Å; V94-T96 PolarHBondContact O-N 3.1Å; T96-L98 HydrophobicContact CG2-CB 4.04Å; T96-L98 PolarHBondContact O-N 3.45Å; T96-L98 VanDerWaalsContact O-N 3.08Å; T96-L98 PolarHBondContact OG1-N 2.98Å; T96-R99 HydrophobicContact CG2-CG 4.4Å; T96-R99 PolarHBondContact O-N 3.34Å; T96-R99 VanDerWaalsContact O-N 3.1Å; T96-E202 WeakPolarHBondContact CA-OE2 3.39Å; T96-E202 WeakPolarHBondContact CB-OE2 3.13Å; T96-E202 PolarHBondContact OG1-OE2 3.32Å |
| 97 | F | 93 | Very high | 93.3 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -59.9 | -17.6 | 174.9 | 66.6 | -85.7 | 0 | 0 | 0 | 113 | R99 F100 V106 L109 V195 L198 T199 E202 V331 | F97-R99 PolarHBondContact O-N 3.5Å; F97-R99 VanDerWaalsContact O-N 3.08Å; F97-F100 WeakPolarHBondContact O-CB 3.31Å; F97-F100 WeakPolarHBondContact O-CD2 3.27Å; F97-F100 PolarHBondContact O-N 3.31Å; F97-V106 HydrophobicContact CD2-CG1 3.91Å; F97-L109 HydrophobicContact CB-CD2 3.6Å; F97-V195 HydrophobicContact CE2-CG2 4.2Å; F97-V195 HydrophobicContact CZ-CG1 4.08Å; F97-V195 HydrophobicContact CZ-CG2 4.45Å; F97-L198 HydrophobicContact CB-CD1 4.02Å; F97-L198 HydrophobicContact CD1-CB 3.57Å; F97-L198 HydrophobicContact CD1-CD1 4.34Å; F97-L198 HydrophobicContact CD2-CD1 4.15Å; F97-L198 HydrophobicContact CE1-CB 3.93Å; F97-L198 HydrophobicContact CG-CB 4.01Å; F97-L198 HydrophobicContact CG-CD1 3.9Å; F97-T199 WeakPolarHBondContact CE1-OG1 3.5Å; F97-E202 VanDerWaalsContact CD1-OE2 3.26Å; F97-E202 WeakPolarHBondContact CD1-OE2 3.41Å; F97-E202 PolarHBondContact N-OE2 3.41Å; F97-V331 HydrophobicContact CE2-CG1 4.5Å |
| 98 | L | 91 | Very high | 93.2 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 12% | 0.115 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -70.3 | 6.7 | 172.8 | -58.1 | 175.5 | 0 | 0 | 0 | 114.3 | T96 L327 V328 V331 | T96-L98 HydrophobicContact CG2-CB 4.04Å; T96-L98 PolarHBondContact O-N 3.45Å; T96-L98 VanDerWaalsContact O-N 3.08Å; T96-L98 PolarHBondContact OG1-N 2.98Å; L98-L327 HydrophobicContact CB-CD2 4.29Å; L98-L327 HydrophobicContact CD2-CG 4.42Å; L98-L327 VanDerWaalsContact O-CD2 3.23Å; L98-L327 WeakPolarHBondContact O-CD2 3.47Å; L98-V328 HydrophobicContact CD1-CG2 3.64Å; L98-V328 HydrophobicContact CD2-CG2 3.78Å; L98-V328 HydrophobicContact CG-CG2 4.36Å; L98-V331 HydrophobicContact CD2-CG2 4.46Å |
| 99 | R | 89.1 | Confident | 93.2 | Very high | 71 Ų | 71 | 23.3 Ų | 23.3 | 27% | 0.268 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -85.8 | -15.4 | 163.3 | -62.7 | -157.1 | -169.3 | -149.9 | 1.5 | 113.8 | Y47 V94 D95 T96 F97 | Y47-R99 PolarHBondContact OH-O 2.92Å; V94-R99 HydrophobicContact CB-CB 4.04Å; V94-R99 HydrophobicContact CB-CG 4.16Å; V94-R99 HydrophobicContact CG1-CB 3.92Å; V94-R99 HydrophobicContact CG1-CG 4.3Å; V94-R99 HydrophobicContact CG2-CB 4.21Å; D95-R99 IonicContact OD1-CZ 3.9Å; D95-R99 VanDerWaalsContact OD1-CZ 3.23Å; D95-R99 IonicContact OD1-NE 3.78Å; D95-R99 PolarHBondContact OD1-NE 3.41Å; D95-R99 IonicContact OD1-NH2 3.93Å; D95-R99 PolarHBondContact OD1-NH2 3.2Å; D95-R99 IonicContact OD2-CZ 3.07Å; D95-R99 IonicContact OD2-NE 3.88Å; D95-R99 IonicContact OD2-NH2 2.73Å; D95-R99 PolarHBondContact OD2-NH2 3.47Å; T96-R99 HydrophobicContact CG2-CG 4.4Å; T96-R99 PolarHBondContact O-N 3.34Å; T96-R99 VanDerWaalsContact O-N 3.1Å; F97-R99 PolarHBondContact O-N 3.5Å; F97-R99 VanDerWaalsContact O-N 3.08Å |
| 100 | F | 91 | Very high | 93.2 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | trans | -77.1 | 143.9 | 170.6 | -70.1 | -86.7 | 0 | 0 | 0 | 110.5 | D44 Y47 F48 V94 F97 V106 L109 | D44-F100 HydrophobicContact CB-CD1 4.13Å; Y47-F100 AromaticContact CD2-CD1 3.43Å; Y47-F100 HydrophobicContact CD2-CD1 3.43Å; Y47-F100 VanDerWaalsContact CD2-CD1 3.43Å; Y47-F100 AromaticContact CD2-CE1 3.15Å; Y47-F100 HydrophobicContact CD2-CE1 3.15Å; Y47-F100 HydrophobicContact CD2-CG 4.35Å; Y47-F100 AromaticContact CD2-CZ 3.83Å; Y47-F100 HydrophobicContact CD2-CZ 3.83Å; Y47-F100 AromaticContact CE2-CD1 3.68Å; Y47-F100 HydrophobicContact CE2-CD1 3.68Å; Y47-F100 AromaticContact CE2-CE1 3.85Å; Y47-F100 HydrophobicContact CE2-CE1 3.85Å; Y47-F100 HydrophobicContact CE2-CG 4.24Å; Y47-F100 HydrophobicContact CE2-CZ 4.46Å; Y47-F100 HydrophobicContact CG-CD1 4.31Å; Y47-F100 AromaticContact CG-CE1 3.61Å; Y47-F100 HydrophobicContact CG-CE1 3.61Å; Y47-F100 AromaticContact CG-CZ 3.87Å; Y47-F100 HydrophobicContact CG-CZ 3.87Å; F48-F100 AromaticContact CE2-CE1 3.79Å; F48-F100 HydrophobicContact CE2-CE1 3.79Å; F48-F100 AromaticContact CZ-CE1 3.94Å; F48-F100 HydrophobicContact CZ-CE1 3.94Å; V94-F100 HydrophobicContact CG2-CD2 4.06Å; V94-F100 HydrophobicContact CG2-CE2 3.59Å; F97-F100 WeakPolarHBondContact O-CB 3.31Å; F97-F100 WeakPolarHBondContact O-CD2 3.27Å; F97-F100 PolarHBondContact O-N 3.31Å; F100-V106 HydrophobicContact CB-CG2 3.74Å; F100-V106 HydrophobicContact CG-CG2 4.45Å; F100-L109 HydrophobicContact CD2-CD2 4.34Å; F100-L109 HydrophobicContact CE2-CB 4.36Å; F100-L109 HydrophobicContact CE2-CD1 4.44Å; F100-L109 HydrophobicContact CE2-CD2 3.84Å; F100-L109 HydrophobicContact CE2-CG 4.44Å | ||
| 101 | S | 88.3 | Confident | 93.2 | Very high | 62 Ų | 62 | 23.5 Ų | 23.5 | 43% | 0.434 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -93.3 | -27.7 | -174.8 | -43.1 | 0 | 0 | 0 | 0 | 112.1 | P43 D44 | P43-S101 WeakPolarHBondContact CD-OG 3.45Å; P43-S101 WeakPolarHBondContact CG-OG 3.43Å; D44-S101 VanDerWaalsContact CG-N 3.31Å; D44-S101 WeakPolarHBondContact OD1-CB 3.3Å; D44-S101 PolarHBondContact OD1-N 3.01Å; D44-S101 PolarHBondContact OD1-OG 2.85Å; D44-S101 PolarHBondContact OD2-N 2.96Å; D44-S101 VanDerWaalsContact OD2-N 3.08Å |
| 102 | H | 90.5 | Very high | 93.2 | Very high | 53 Ų | 53 | 23.3 Ų | 23.3 | 25% | 0.245 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -117.9 | 140.1 | -177.3 | -56.9 | 84.3 | 0 | 0 | 0 | 112.2 | D42 D44 S104 S105 V106 | D42-H102 PolarHBondContact O-CE1 3.04Å; D42-H102 VanDerWaalsContact O-CE1 3.3Å; D44-H102 IonicContact OD2-CG 2.79Å; D44-H102 PolarHBondContact OD2-N 2.87Å; D44-H102 IonicContact OD2-ND1 3.46Å; D44-H102 PolarHBondContact OD2-ND1 2.93Å; H102-S104 PolarHBondContact O-N 3.45Å; H102-S105 WeakPolarHBondContact O-CB 3.49Å; H102-S105 PolarHBondContact O-N 3.15Å; H102-S105 VanDerWaalsContact O-N 3.1Å; H102-V106 PolarHBondContact O-N 3.33Å |
| 103 | A | 93.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 12% | 0.116 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -29.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S105 V106 E107 G334 L335 L338 | A103-S105 VanDerWaalsContact C-N 3.34Å; A103-S105 PolarHBondContact O-N 3.09Å; A103-V106 PolarHBondContact O-N 2.99Å; A103-E107 PolarHBondContact O-N 3.12Å; A103-G334 VanDerWaalsContact CB-C 3.45Å; A103-L335 HydrophobicContact CB-CD2 4.19Å; A103-L335 HydrophobicContact CB-CG 4.04Å; A103-L335 WeakPolarHBondContact O-CD2 3.46Å; A103-L338 HydrophobicContact CB-CD1 4.14Å |
| 104 | S | 92.7 | Very high | 93.3 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 14% | 0.14 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 173.4 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | C39 H102 V106 E107 L108 | C39-S104 PolarHBondContact O-OG 3.48Å; H102-S104 PolarHBondContact O-N 3.45Å; S104-V106 VanDerWaalsContact C-N 3.34Å; S104-V106 PolarHBondContact O-N 3.01Å; S104-E107 PolarHBondContact O-N 3.03Å; S104-L108 WeakPolarHBondContact O-CB 3.46Å; S104-L108 WeakPolarHBondContact O-CD1 3.4Å; S104-L108 VanDerWaalsContact O-CG 3.25Å; S104-L108 WeakPolarHBondContact O-CG 3.41Å; S104-L108 PolarHBondContact O-N 3.11Å |
| 105 | S | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 175.6 | -41.8 | 0 | 0 | 0 | 0 | 112.4 | L40 D44 H102 A103 L108 L109 | L40-S105 WeakPolarHBondContact CD2-OG 3.13Å; D44-S105 VanDerWaalsContact CB-OG 3.28Å; D44-S105 WeakPolarHBondContact CB-OG 3.49Å; D44-S105 PolarHBondContact OD2-OG 3.4Å; H102-S105 WeakPolarHBondContact O-CB 3.49Å; H102-S105 PolarHBondContact O-N 3.15Å; H102-S105 VanDerWaalsContact O-N 3.1Å; A103-S105 VanDerWaalsContact C-N 3.34Å; A103-S105 PolarHBondContact O-N 3.09Å; S105-L108 PolarHBondContact O-N 3.19Å; S105-L109 PolarHBondContact O-N 3.33Å |
| 106 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 174.8 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | F97 F100 H102 A103 S104 L109 F110 L198 V331 L335 | F97-V106 HydrophobicContact CD2-CG1 3.91Å; F100-V106 HydrophobicContact CB-CG2 3.74Å; F100-V106 HydrophobicContact CG-CG2 4.45Å; H102-V106 PolarHBondContact O-N 3.33Å; A103-V106 PolarHBondContact O-N 2.99Å; S104-V106 VanDerWaalsContact C-N 3.34Å; S104-V106 PolarHBondContact O-N 3.01Å; V106-L109 WeakPolarHBondContact O-CB 3.4Å; V106-L109 PolarHBondContact O-N 3.12Å; V106-F110 PolarHBondContact O-N 2.94Å; V106-L198 HydrophobicContact CG1-CD1 3.47Å; V106-L198 VanDerWaalsContact CG1-CD1 3.47Å; V106-V331 HydrophobicContact CB-CG1 4.36Å; V106-V331 HydrophobicContact CG1-CG1 4.05Å; V106-V331 HydrophobicContact CG2-CG1 4.08Å; V106-V331 HydrophobicContact CG2-CG2 4.45Å; V106-L335 HydrophobicContact CB-CD2 4.4Å; V106-L335 HydrophobicContact CG1-CD1 4.13Å; V106-L335 HydrophobicContact CG1-CD2 4.35Å |
| 107 | E | 94.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.023 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 173.9 | -179.1 | 166.7 | 162 | 0 | 0 | 111.8 | A103 S104 L109 F110 L111 R190 L335 L338 N341 | A103-E107 PolarHBondContact O-N 3.12Å; S104-E107 PolarHBondContact O-N 3.03Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 PolarHBondContact O-N 2.96Å; E107-F110 WeakPolarHBondContact O-CB 3.41Å; E107-F110 PolarHBondContact O-N 3.2Å; E107-F110 VanDerWaalsContact O-N 3.15Å; E107-L111 HydrophobicContact CG-CD1 4.29Å; E107-L111 WeakPolarHBondContact O-CG 3.28Å; E107-L111 PolarHBondContact O-N 2.92Å; E107-R190 IonicContact OE1-CZ 3.97Å; E107-R190 IonicContact OE1-NH1 3.31Å; E107-R190 IonicContact OE1-NH2 3.2Å; E107-R190 PolarHBondContact OE1-NH2 3.16Å; E107-R190 IonicContact OE2-CZ 2.7Å; E107-R190 IonicContact OE2-NH1 3.9Å; E107-R190 PolarHBondContact OE2-NH1 3.34Å; E107-R190 IonicContact OE2-NH2 2.87Å; E107-R190 PolarHBondContact OE2-NH2 3.37Å; E107-L335 HydrophobicContact CB-CD2 3.96Å; E107-L338 HydrophobicContact CB-CD1 4.2Å; E107-L338 WeakPolarHBondContact OE2-CD1 3.43Å; E107-N341 PolarHBondContact OE1-ND2 3.41Å |
| 108 | L | 95.3 | Very high | 94 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 174.7 | -73.2 | 165.4 | 0 | 0 | 0 | 112 | L12 C38 L40 F48 S104 S105 Q112 | L12-L108 HydrophobicContact CB-CD2 3.91Å; L12-L108 HydrophobicContact CD1-CD2 4.44Å; L12-L108 HydrophobicContact CD2-CB 4.13Å; L12-L108 HydrophobicContact CD2-CD2 4.44Å; L12-L108 WeakPolarHBondContact CD2-O 3.45Å; C38-L108 HydrophobicContact CB-CD1 4.04Å; L40-L108 HydrophobicContact CD1-CD1 4.3Å; L40-L108 HydrophobicContact CD2-CD1 3.51Å; L40-L108 HydrophobicContact CG-CD1 3.75Å; F48-L108 HydrophobicContact CE1-CB 4.03Å; F48-L108 HydrophobicContact CZ-CB 4.1Å; S104-L108 WeakPolarHBondContact O-CB 3.46Å; S104-L108 WeakPolarHBondContact O-CD1 3.4Å; S104-L108 VanDerWaalsContact O-CG 3.25Å; S104-L108 WeakPolarHBondContact O-CG 3.41Å; S104-L108 PolarHBondContact O-N 3.11Å; S105-L108 PolarHBondContact O-N 3.19Å; L108-Q112 PolarHBondContact O-N 3.09Å |
| 109 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 170.4 | 179.2 | 71.3 | 0 | 0 | 0 | 111.6 | V90 F93 F97 F100 S105 V106 E107 L111 Q112 V113 L198 | V90-L109 HydrophobicContact CG1-CD1 4.4Å; V90-L109 HydrophobicContact CG2-CD1 4.21Å; F93-L109 HydrophobicContact CD1-CD1 4Å; F93-L109 HydrophobicContact CE1-CD1 3.93Å; F97-L109 HydrophobicContact CB-CD2 3.6Å; F100-L109 HydrophobicContact CD2-CD2 4.34Å; F100-L109 HydrophobicContact CE2-CB 4.36Å; F100-L109 HydrophobicContact CE2-CD1 4.44Å; F100-L109 HydrophobicContact CE2-CD2 3.84Å; F100-L109 HydrophobicContact CE2-CG 4.44Å; S105-L109 PolarHBondContact O-N 3.33Å; V106-L109 WeakPolarHBondContact O-CB 3.4Å; V106-L109 PolarHBondContact O-N 3.12Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 PolarHBondContact O-N 2.96Å; L109-L111 PolarHBondContact O-N 2.85Å; L109-Q112 WeakPolarHBondContact O-CB 3.49Å; L109-Q112 PolarHBondContact O-N 3.3Å; L109-V113 HydrophobicContact CD1-CG1 4.3Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 3.29Å; L109-L198 HydrophobicContact CD2-CD1 4.43Å; L109-L198 HydrophobicContact CD2-CD2 3.9Å; L109-L198 HydrophobicContact CG-CD2 4.01Å |
| 110 | F | 96.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.3 | -46.7 | 177.6 | 160.8 | -102.7 | 0 | 0 | 0 | 112.3 | V106 E107 Q112 V113 R114 A139 I194 Y197 L198 | V106-F110 PolarHBondContact O-N 2.94Å; E107-F110 WeakPolarHBondContact O-CB 3.41Å; E107-F110 PolarHBondContact O-N 3.2Å; E107-F110 VanDerWaalsContact O-N 3.15Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-Q112 PolarHBondContact O-N 3.33Å; F110-V113 WeakPolarHBondContact O-CG2 3.4Å; F110-V113 PolarHBondContact O-N 3.15Å; F110-R114 WeakPolarHBondContact O-CB 3.49Å; F110-R114 PolarHBondContact O-N 2.9Å; F110-A139 HydrophobicContact CE1-CB 4.5Å; F110-A139 HydrophobicContact CZ-CB 3.95Å; F110-I194 HydrophobicContact CB-CG2 3.89Å; F110-I194 HydrophobicContact CD1-CD1 4.35Å; F110-I194 HydrophobicContact CD1-CG1 4.13Å; F110-I194 HydrophobicContact CD1-CG2 4.5Å; F110-I194 HydrophobicContact CD2-CG1 4.35Å; F110-I194 HydrophobicContact CD2-CG2 4.23Å; F110-I194 HydrophobicContact CE1-CD1 4.45Å; F110-I194 HydrophobicContact CE1-CG1 4.13Å; F110-I194 HydrophobicContact CE2-CG1 4.35Å; F110-I194 HydrophobicContact CG-CG1 4.25Å; F110-I194 HydrophobicContact CG-CG2 3.96Å; F110-I194 HydrophobicContact CZ-CG1 4.24Å; F110-Y197 AromaticContact CD2-CD1 3.68Å; F110-Y197 HydrophobicContact CD2-CD1 3.68Å; F110-Y197 HydrophobicContact CD2-CD2 4.46Å; F110-Y197 HydrophobicContact CD2-CE1 4.18Å; F110-Y197 AromaticContact CD2-CG 3.87Å; F110-Y197 HydrophobicContact CD2-CG 3.87Å; F110-Y197 AromaticContact CE2-CD1 3.91Å; F110-Y197 HydrophobicContact CE2-CD1 3.91Å; F110-Y197 AromaticContact CE2-CD2 3.84Å; F110-Y197 HydrophobicContact CE2-CD2 3.84Å; F110-Y197 HydrophobicContact CE2-CE1 4.3Å; F110-Y197 HydrophobicContact CE2-CE2 4.23Å; F110-Y197 AromaticContact CE2-CG 3.69Å; F110-Y197 HydrophobicContact CE2-CG 3.69Å; F110-L198 HydrophobicContact CB-CD1 4.29Å; F110-L198 HydrophobicContact CB-CD2 4.23Å; F110-L198 HydrophobicContact CB-CG 4.34Å |
| 111 | L | 95.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.2 | -67.3 | 170 | 0 | 0 | 0 | 111.7 | L12 D13 E107 L109 S115 | L12-L111 WeakPolarHBondContact O-CB 3.18Å; D13-L111 HydrophobicContact CB-CD1 3.97Å; E107-L111 HydrophobicContact CG-CD1 4.29Å; E107-L111 WeakPolarHBondContact O-CG 3.28Å; E107-L111 PolarHBondContact O-N 2.92Å; L109-L111 PolarHBondContact O-N 2.85Å; L111-S115 PolarHBondContact O-N 3Å; L111-S115 VanDerWaalsContact O-N 3.09Å |
| 112 | Q | 95.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 23 Ų | 23 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -49.7 | 176 | -175.7 | 57.5 | 34.8 | 0 | 0 | 112.4 | L12 V90 F93 L108 L109 F110 R114 S115 L116 | L12-Q112 HydrophobicContact CD2-CB 4.07Å; V90-Q112 HydrophobicContact CB-CG 4.19Å; V90-Q112 HydrophobicContact CG2-CB 3.99Å; V90-Q112 HydrophobicContact CG2-CG 3.98Å; F93-Q112 HydrophobicContact CZ-CG 4.12Å; L108-Q112 PolarHBondContact O-N 3.09Å; L109-Q112 WeakPolarHBondContact O-CB 3.49Å; L109-Q112 PolarHBondContact O-N 3.3Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-Q112 PolarHBondContact O-N 3.33Å; Q112-R114 VanDerWaalsContact C-N 3.34Å; Q112-R114 PolarHBondContact O-N 3.27Å; Q112-S115 PolarHBondContact O-N 2.63Å; Q112-L116 HydrophobicContact CG-CD1 4.04Å; Q112-L116 HydrophobicContact CG-CG 4.44Å; Q112-L116 WeakPolarHBondContact O-CG 3.39Å; Q112-L116 PolarHBondContact O-N 3.03Å |
| 113 | V | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69 | -33.2 | -176.5 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | F93 L109 F110 L116 L117 I122 Y197 L198 V201 Y207 | F93-V113 HydrophobicContact CE1-CG1 4.07Å; L109-V113 HydrophobicContact CD1-CG1 4.3Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 3.29Å; F110-V113 WeakPolarHBondContact O-CG2 3.4Å; F110-V113 PolarHBondContact O-N 3.15Å; V113-L116 PolarHBondContact O-N 3.22Å; V113-L117 WeakPolarHBondContact O-CB 3.33Å; V113-L117 PolarHBondContact O-N 3.02Å; V113-I122 HydrophobicContact CB-CD1 3.98Å; V113-I122 HydrophobicContact CG1-CD1 4.06Å; V113-Y197 HydrophobicContact CG2-CD1 4.27Å; V113-Y197 HydrophobicContact CG2-CE1 3.77Å; V113-L198 HydrophobicContact CG2-CD2 3.81Å; V113-V201 HydrophobicContact CB-CG1 3.93Å; V113-V201 HydrophobicContact CG1-CG1 4.12Å; V113-V201 HydrophobicContact CG2-CG1 4.18Å; V113-Y207 HydrophobicContact CG1-CD2 4.19Å; V113-Y207 HydrophobicContact CG1-CE2 3.9Å |
| 114 | R | 96.2 | Very high | 94.6 | Very high | 46 Ų | 46 | 24.1 Ų | 24.1 | 17% | 0.174 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 172.2 | -172.3 | -177.7 | 68.8 | 168.8 | 2.9 | 111.5 | F110 Q112 L116 L117 Y118 Y197 | F110-R114 WeakPolarHBondContact O-CB 3.49Å; F110-R114 PolarHBondContact O-N 2.9Å; Q112-R114 VanDerWaalsContact C-N 3.34Å; Q112-R114 PolarHBondContact O-N 3.27Å; R114-L116 PolarHBondContact O-N 3.18Å; R114-L117 PolarHBondContact O-N 3.17Å; R114-Y118 PolarHBondContact O-N 3.13Å; R114-Y197 WeakPolarHBondContact CA-OH 3.32Å |
| 115 | S | 94.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 16% | 0.161 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | L111 Q112 N119 | L111-S115 PolarHBondContact O-N 3Å; L111-S115 VanDerWaalsContact O-N 3.09Å; Q112-S115 PolarHBondContact O-N 2.63Å; S115-N119 WeakPolarHBondContact O-CB 3.42Å; S115-N119 PolarHBondContact O-N 3.31Å; S115-N119 PolarHBondContact O-ND2 2.79Å; S115-N119 PolarHBondContact OG-ND2 3.07Å |
| 116 | L | 95.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 30 Ų | 30 | 15% | 0.147 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.6 | -31.9 | 176.7 | -68.4 | 173.5 | 0 | 0 | 0 | 113.7 | F93 Q112 V113 R114 G120 V121 I122 | F93-L116 HydrophobicContact CE1-CD1 4.38Å; F93-L116 HydrophobicContact CZ-CD1 3.82Å; Q112-L116 HydrophobicContact CG-CD1 4.04Å; Q112-L116 HydrophobicContact CG-CG 4.44Å; Q112-L116 WeakPolarHBondContact O-CG 3.39Å; Q112-L116 PolarHBondContact O-N 3.03Å; V113-L116 PolarHBondContact O-N 3.22Å; R114-L116 PolarHBondContact O-N 3.18Å; L116-G120 PolarHBondContact O-N 3.01Å; L116-V121 HydrophobicContact CB-CB 4.24Å; L116-V121 HydrophobicContact CD2-CB 3.86Å; L116-V121 HydrophobicContact CD2-CG1 4.01Å; L116-V121 HydrophobicContact CD2-CG2 4.01Å; L116-V121 PolarHBondContact O-N 2.94Å; L116-I122 HydrophobicContact CB-CD1 3.81Å; L116-I122 HydrophobicContact CB-CG1 3.9Å; L116-I122 HydrophobicContact CD1-CD1 4.26Å; L116-I122 PolarHBondContact O-N 2.91Å |
| 117 | L | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.5 | -47.9 | 174.9 | -172.2 | 72.3 | 0 | 0 | 0 | 111 | V113 R114 N119 G120 I122 V129 L132 Y197 | V113-L117 WeakPolarHBondContact O-CB 3.33Å; V113-L117 PolarHBondContact O-N 3.02Å; R114-L117 PolarHBondContact O-N 3.17Å; L117-N119 PolarHBondContact O-N 3.05Å; L117-G120 WeakPolarHBondContact O-CA 3.5Å; L117-G120 PolarHBondContact O-N 2.99Å; L117-I122 HydrophobicContact CD1-CB 4.26Å; L117-I122 HydrophobicContact CD1-CG2 3.85Å; L117-V129 HydrophobicContact CD1-CG2 4.39Å; L117-L132 HydrophobicContact CD2-CB 4.15Å; L117-L132 HydrophobicContact CD2-CD1 3.82Å; L117-Y197 WeakPolarHBondContact CD2-OH 3.28Å |
| 118 | Y | 94.3 | Very high | 94.8 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 35% | 0.353 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.1 | 170.9 | -105.4 | 0 | 0 | 0 | 112.7 | R114 G120 P158 F160 S161 | R114-Y118 PolarHBondContact O-N 3.13Å; Y118-G120 PolarHBondContact O-N 3.08Å; Y118-G120 VanDerWaalsContact O-N 3.14Å; Y118-P158 HydrophobicContact CD1-CB 3.69Å; Y118-P158 VanDerWaalsContact CD2-C 3.44Å; Y118-P158 HydrophobicContact CD2-CB 3.54Å; Y118-P158 HydrophobicContact CE1-CB 3.75Å; Y118-P158 HydrophobicContact CE2-CB 3.6Å; Y118-P158 HydrophobicContact CG-CB 3.57Å; Y118-F160 VanDerWaalsContact CD2-O 3.29Å; Y118-F160 WeakPolarHBondContact CD2-O 3.34Å; Y118-F160 WeakPolarHBondContact CE2-O 3.45Å; Y118-S161 VanDerWaalsContact O-CA 3.27Å; Y118-S161 WeakPolarHBondContact O-CA 3.16Å; Y118-S161 WeakPolarHBondContact O-CB 3.11Å |
| 119 | N | 92.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 37 Ų | 37 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 1.5 | 175.6 | -69.9 | -58.6 | 0 | 0 | 0 | 113.3 | S115 L117 V121 | S115-N119 WeakPolarHBondContact O-CB 3.42Å; S115-N119 PolarHBondContact O-N 3.31Å; S115-N119 PolarHBondContact O-ND2 2.79Å; S115-N119 PolarHBondContact OG-ND2 3.07Å; L117-N119 PolarHBondContact O-N 3.05Å; N119-V121 HydrophobicContact CB-CG2 4.31Å; N119-V121 PolarHBondContact O-N 3.25Å |
| 120 | G | 91.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 25.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L116 L117 Y118 R123 | L116-G120 PolarHBondContact O-N 3.01Å; L117-G120 WeakPolarHBondContact O-CA 3.5Å; L117-G120 PolarHBondContact O-N 2.99Å; Y118-G120 PolarHBondContact O-N 3.08Å; Y118-G120 VanDerWaalsContact O-N 3.14Å; G120-R123 PolarHBondContact O-NE 3.07Å; G120-R123 PolarHBondContact O-NH2 3.22Å |
| 121 | V | 92.8 | Very high | 95 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 26% | 0.261 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -80.4 | -44.9 | 170.7 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | L116 N119 F211 | L116-V121 HydrophobicContact CB-CB 4.24Å; L116-V121 HydrophobicContact CD2-CB 3.86Å; L116-V121 HydrophobicContact CD2-CG1 4.01Å; L116-V121 HydrophobicContact CD2-CG2 4.01Å; L116-V121 PolarHBondContact O-N 2.94Å; N119-V121 HydrophobicContact CB-CG2 4.31Å; N119-V121 PolarHBondContact O-N 3.25Å; V121-F211 HydrophobicContact CG1-CD2 3.98Å; V121-F211 HydrophobicContact CG1-CE2 4.21Å |
| 122 | I | 94.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -83 | 139.1 | 163.5 | -65.9 | 173.2 | 0 | 0 | 0 | 107.9 | V113 L116 L117 V201 L204 Y207 | V113-I122 HydrophobicContact CB-CD1 3.98Å; V113-I122 HydrophobicContact CG1-CD1 4.06Å; L116-I122 HydrophobicContact CB-CD1 3.81Å; L116-I122 HydrophobicContact CB-CG1 3.9Å; L116-I122 HydrophobicContact CD1-CD1 4.26Å; L116-I122 PolarHBondContact O-N 2.91Å; L117-I122 HydrophobicContact CD1-CB 4.26Å; L117-I122 HydrophobicContact CD1-CG2 3.85Å; I122-V201 HydrophobicContact CD1-CG1 4.05Å; I122-L204 HydrophobicContact CG2-CB 4.49Å; I122-L204 HydrophobicContact CG2-CD1 3.51Å; I122-Y207 HydrophobicContact CD1-CD2 4.45Å |
| 123 | R | 92.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | trans | -121.6 | 138.7 | -179.7 | -64.2 | -76.7 | 159.9 | 159.5 | -9.3 | 109.8 | G120 D163 T206 T240 | G120-R123 PolarHBondContact O-NE 3.07Å; G120-R123 PolarHBondContact O-NH2 3.22Å; R123-D163 IonicContact CZ-OD2 2.66Å; R123-D163 IonicContact NH1-OD2 3.18Å; R123-D163 PolarHBondContact NH1-OD2 3.06Å; R123-D163 IonicContact NH2-OD2 3.38Å; R123-D163 PolarHBondContact NH2-OD2 3.38Å; R123-T206 HydrophobicContact CB-CG2 4.15Å; R123-T206 HydrophobicContact CG-CG2 4.31Å; R123-T206 PolarHBondContact N-OG1 3.32Å; R123-T206 PolarHBondContact O-OG1 2.9Å; R123-T240 HydrophobicContact CB-CG2 3.73Å; R123-T240 HydrophobicContact CG-CG2 3.88Å | ||
| 124 | A | 93.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | trans | -148.7 | 165.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T128 V129 L204 | A124-T128 HydrophobicContact CB-CG2 3.77Å; A124-V129 HydrophobicContact CB-CG2 4.07Å; A124-L204 HydrophobicContact CB-CD1 4.01Å; A124-L204 HydrophobicContact CB-CD2 3.85Å | ||
| 125 | D | 93.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | trans | -63.8 | 161.9 | 165.4 | 55.4 | -79 | 0 | 0 | 0 | 112.1 | D127 T128 V129 | D125-D127 PolarHBondContact O-N 2.86Å; D125-T128 VanDerWaalsContact CG-OG1 3.23Å; D125-T128 PolarHBondContact O-N 2.71Å; D125-T128 WeakPolarHBondContact OD1-CB 3.44Å; D125-T128 PolarHBondContact OD1-OG1 3.41Å; D125-T128 WeakPolarHBondContact OD2-CB 3.31Å; D125-T128 PolarHBondContact OD2-N 2.67Å; D125-T128 PolarHBondContact OD2-OG1 3.33Å; D125-V129 WeakPolarHBondContact O-CG2 3.33Å; D125-V129 PolarHBondContact O-N 3.46Å | ||
| 126 | H | 94.8 | Very high | 95.4 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 28% | 0.278 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.6 | -42.3 | -171.6 | -59.6 | -176.9 | 0 | 0 | 0 | 112 | T128 V129 F130 L164 Y167 Y168 | H126-T128 VanDerWaalsContact C-N 3.35Å; H126-T128 PolarHBondContact O-N 3.06Å; H126-V129 PolarHBondContact O-N 3.41Å; H126-V129 VanDerWaalsContact O-N 3.07Å; H126-F130 HydrophobicContact CB-CE2 4.06Å; H126-F130 WeakPolarHBondContact O-CD2 3.45Å; H126-F130 WeakPolarHBondContact O-CG 3.32Å; H126-F130 PolarHBondContact O-N 3.14Å; H126-L164 HydrophobicContact CB-CD1 3.98Å; H126-L164 WeakPolarHBondContact CD2-CD1 3.48Å; H126-Y167 AromaticContact CE1-CD2 3.81Å; H126-Y167 AromaticContact CE1-CG 3.76Å; H126-Y167 AromaticContact NE2-CD2 3.84Å; H126-Y168 WeakPolarHBondContact CB-OH 3.4Å; H126-Y168 AromaticContact CE1-CE2 3.91Å; H126-Y168 AromaticContact ND1-CE2 3.39Å; H126-Y168 WeakPolarHBondContact ND1-CE2 3.39Å; H126-Y168 AromaticContact ND1-CZ 3.55Å; H126-Y168 PolarHBondContact ND1-OH 3.07Å |
| 127 | D | 96.1 | Very high | 95.4 | Very high | 118 Ų | 118 | 34.1 Ų | 34.1 | 63% | 0.631 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -61.4 | -42.9 | 178.7 | -62.1 | -30 | 0 | 0 | 0 | 111.6 | D125 F130 H131 | D125-D127 PolarHBondContact O-N 2.86Å; D127-F130 PolarHBondContact O-N 2.96Å; D127-H131 WeakPolarHBondContact O-CB 3.48Å; D127-H131 PolarHBondContact O-N 3.4Å |
| 128 | T | 96.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 172.4 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | A124 D125 H126 H131 L132 I200 | A124-T128 HydrophobicContact CB-CG2 3.77Å; D125-T128 VanDerWaalsContact CG-OG1 3.23Å; D125-T128 PolarHBondContact O-N 2.71Å; D125-T128 WeakPolarHBondContact OD1-CB 3.44Å; D125-T128 PolarHBondContact OD1-OG1 3.41Å; D125-T128 WeakPolarHBondContact OD2-CB 3.31Å; D125-T128 PolarHBondContact OD2-N 2.67Å; D125-T128 PolarHBondContact OD2-OG1 3.33Å; H126-T128 VanDerWaalsContact C-N 3.35Å; H126-T128 PolarHBondContact O-N 3.06Å; T128-H131 PolarHBondContact O-N 2.72Å; T128-L132 HydrophobicContact CG2-CD1 3.79Å; T128-L132 HydrophobicContact CG2-CG 4.25Å; T128-L132 VanDerWaalsContact O-CB 3.29Å; T128-L132 WeakPolarHBondContact O-CB 3.45Å; T128-L132 WeakPolarHBondContact O-CG 3.32Å; T128-L132 PolarHBondContact O-N 3.01Å; T128-I200 HydrophobicContact CG2-CG2 3.8Å |
| 129 | V | 96.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 174.9 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | L117 A124 D125 H126 L132 G133 L164 | L117-V129 HydrophobicContact CD1-CG2 4.39Å; A124-V129 HydrophobicContact CB-CG2 4.07Å; D125-V129 WeakPolarHBondContact O-CG2 3.33Å; D125-V129 PolarHBondContact O-N 3.46Å; H126-V129 PolarHBondContact O-N 3.41Å; H126-V129 VanDerWaalsContact O-N 3.07Å; V129-L132 PolarHBondContact O-N 3.13Å; V129-G133 PolarHBondContact O-N 3.04Å; V129-L164 HydrophobicContact CG1-CD2 3.9Å |
| 130 | F | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.1 | -59.4 | -43.5 | 0 | 0 | 0 | 112.3 | H126 D127 G133 A134 F160 L164 Y168 C174 H177 V178 L181 | H126-F130 HydrophobicContact CB-CE2 4.06Å; H126-F130 WeakPolarHBondContact O-CD2 3.45Å; H126-F130 WeakPolarHBondContact O-CG 3.32Å; H126-F130 PolarHBondContact O-N 3.14Å; D127-F130 PolarHBondContact O-N 2.96Å; F130-G133 PolarHBondContact O-N 3.31Å; F130-A134 PolarHBondContact O-N 3.36Å; F130-F160 HydrophobicContact CD1-CE1 4.06Å; F130-F160 HydrophobicContact CE1-CE1 4.18Å; F130-L164 HydrophobicContact CE1-CD2 4.05Å; F130-Y168 HydrophobicContact CE2-CE1 4.45Å; F130-Y168 AromaticContact CE2-CZ 3.93Å; F130-Y168 WeakPolarHBondContact CE2-OH 3.33Å; F130-Y168 HydrophobicContact CZ-CE1 4.08Å; F130-Y168 AromaticContact CZ-CE2 3.87Å; F130-Y168 HydrophobicContact CZ-CE2 3.87Å; F130-Y168 AromaticContact CZ-CZ 3.59Å; F130-C174 HydrophobicContact CE1-CB 3.82Å; F130-C174 HydrophobicContact CZ-CB 4.47Å; F130-H177 HydrophobicContact CB-CB 4.21Å; F130-H177 HydrophobicContact CD1-CB 4.01Å; F130-H177 HydrophobicContact CD2-CB 3.64Å; F130-H177 AromaticContact CD2-CG 3.95Å; F130-H177 HydrophobicContact CE1-CB 4.27Å; F130-H177 HydrophobicContact CE2-CB 3.91Å; F130-H177 AromaticContact CE2-CD2 3.53Å; F130-H177 AromaticContact CE2-CG 3.8Å; F130-H177 HydrophobicContact CG-CB 3.7Å; F130-H177 HydrophobicContact CZ-CB 4.22Å; F130-H177 AromaticContact CZ-CD2 3.69Å; F130-V178 HydrophobicContact CB-CG2 4.15Å; F130-V178 HydrophobicContact CD1-CG2 3.98Å; F130-L181 HydrophobicContact CB-CD1 3.82Å |
| 131 | H | 97.9 | Very high | 95.9 | Very high | 61 Ų | 61 | 27.2 Ų | 27.2 | 28% | 0.282 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 176.6 | -166.6 | 99.8 | 0 | 0 | 0 | 112.1 | D127 T128 G133 A134 L135 L181 F185 | D127-H131 WeakPolarHBondContact O-CB 3.48Å; D127-H131 PolarHBondContact O-N 3.4Å; T128-H131 PolarHBondContact O-N 2.72Å; H131-G133 VanDerWaalsContact C-N 3.35Å; H131-A134 PolarHBondContact O-N 3.32Å; H131-L135 WeakPolarHBondContact O-CG 3.43Å; H131-L135 PolarHBondContact O-N 2.92Å; H131-L181 HydrophobicContact CB-CD1 4.27Å; H131-F185 AromaticContact CE1-CZ 3.63Å; H131-F185 AromaticContact NE2-CZ 3.78Å |
| 132 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 172.5 | -70.8 | 173.7 | 0 | 0 | 0 | 111.6 | L117 T128 V129 L135 A136 Y197 I200 V201 | L117-L132 HydrophobicContact CD2-CB 4.15Å; L117-L132 HydrophobicContact CD2-CD1 3.82Å; T128-L132 HydrophobicContact CG2-CD1 3.79Å; T128-L132 HydrophobicContact CG2-CG 4.25Å; T128-L132 VanDerWaalsContact O-CB 3.29Å; T128-L132 WeakPolarHBondContact O-CB 3.45Å; T128-L132 WeakPolarHBondContact O-CG 3.32Å; T128-L132 PolarHBondContact O-N 3.01Å; V129-L132 PolarHBondContact O-N 3.13Å; L132-L135 PolarHBondContact O-N 3.45Å; L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 3.46Å; L132-Y197 HydrophobicContact CB-CD2 4.11Å; L132-Y197 HydrophobicContact CB-CE2 3.64Å; L132-Y197 HydrophobicContact CD2-CD1 4.07Å; L132-Y197 HydrophobicContact CD2-CD2 3.63Å; L132-Y197 HydrophobicContact CD2-CE1 4.23Å; L132-Y197 HydrophobicContact CD2-CE2 3.83Å; L132-Y197 HydrophobicContact CD2-CG 3.74Å; L132-Y197 HydrophobicContact CG-CD2 4.48Å; L132-Y197 HydrophobicContact CG-CE2 4.28Å; L132-Y197 WeakPolarHBondContact O-CD2 3.43Å; L132-Y197 WeakPolarHBondContact O-CE2 3.44Å; L132-I200 HydrophobicContact CD1-CG2 4.32Å; L132-I200 HydrophobicContact CD2-CB 4.03Å; L132-I200 HydrophobicContact CD2-CD1 4.36Å; L132-I200 HydrophobicContact CD2-CG2 3.94Å; L132-I200 HydrophobicContact CG-CG2 4.25Å; L132-V201 HydrophobicContact CD1-CG2 3.56Å; L132-V201 HydrophobicContact CD2-CG2 3.73Å; L132-V201 HydrophobicContact CG-CG2 4.33Å |
| 133 | G | 97.2 | Very high | 96 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.3 | -52.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | V129 F130 H131 L135 A136 V137 | V129-G133 PolarHBondContact O-N 3.04Å; F130-G133 PolarHBondContact O-N 3.31Å; H131-G133 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 3.42Å; G133-A136 WeakPolarHBondContact O-CB 3.36Å; G133-A136 PolarHBondContact O-N 3Å; G133-A136 VanDerWaalsContact O-N 3.09Å; G133-V137 WeakPolarHBondContact O-CG2 3.38Å; G133-V137 PolarHBondContact O-N 3.44Å |
| 134 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F130 H131 A136 V137 Q138 V178 L181 F185 | F130-A134 PolarHBondContact O-N 3.36Å; H131-A134 PolarHBondContact O-N 3.32Å; A134-A136 VanDerWaalsContact C-N 3.32Å; A134-A136 PolarHBondContact O-N 3.01Å; A134-V137 PolarHBondContact O-N 2.89Å; A134-Q138 PolarHBondContact O-N 3.27Å; A134-V178 HydrophobicContact CB-CG1 4.17Å; A134-L181 HydrophobicContact CB-CB 3.73Å; A134-F185 HydrophobicContact CB-CD2 4.04Å; A134-F185 HydrophobicContact CB-CE2 3.5Å; A134-F185 HydrophobicContact CB-CZ 4.38Å |
| 135 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 174.2 | -72.6 | 172.7 | 0 | 0 | 0 | 112.3 | H131 L132 G133 A139 F185 L188 A193 K196 Y197 I200 | H131-L135 WeakPolarHBondContact O-CG 3.43Å; H131-L135 PolarHBondContact O-N 2.92Å; L132-L135 PolarHBondContact O-N 3.45Å; G133-L135 PolarHBondContact O-N 3.42Å; L135-A139 VanDerWaalsContact O-CB 3.28Å; L135-A139 WeakPolarHBondContact O-CB 3.48Å; L135-A139 PolarHBondContact O-N 2.98Å; L135-F185 HydrophobicContact CB-CE2 4.39Å; L135-F185 HydrophobicContact CD2-CD2 3.91Å; L135-F185 HydrophobicContact CD2-CE2 3.54Å; L135-F185 HydrophobicContact CD2-CZ 3.92Å; L135-F185 HydrophobicContact CG-CD2 4.36Å; L135-F185 HydrophobicContact CG-CE2 3.6Å; L135-F185 HydrophobicContact CG-CZ 4.03Å; L135-L188 HydrophobicContact CD2-CD2 3.78Å; L135-A193 HydrophobicContact CD2-CB 4.43Å; L135-K196 HydrophobicContact CD1-CB 3.87Å; L135-K196 HydrophobicContact CD2-CB 4.02Å; L135-K196 HydrophobicContact CD2-CD 4.09Å; L135-Y197 HydrophobicContact CB-CD2 4.04Å; L135-I200 HydrophobicContact CD1-CD1 4Å |
| 136 | A | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.6 | -32.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L132 G133 A134 A140 L159 Y197 | L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 3.46Å; G133-A136 WeakPolarHBondContact O-CB 3.36Å; G133-A136 PolarHBondContact O-N 3Å; G133-A136 VanDerWaalsContact O-N 3.09Å; A134-A136 VanDerWaalsContact C-N 3.32Å; A134-A136 PolarHBondContact O-N 3.01Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.01Å; A136-L159 HydrophobicContact CB-CD2 4.21Å; A136-Y197 HydrophobicContact CB-CD2 4.38Å; A136-Y197 HydrophobicContact CB-CE2 4.01Å |
| 137 | V | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -50.5 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | G133 A134 A139 A140 F141 M154 L157 L159 V178 Y182 | G133-V137 WeakPolarHBondContact O-CG2 3.38Å; G133-V137 PolarHBondContact O-N 3.44Å; A134-V137 PolarHBondContact O-N 2.89Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.91Å; V137-A140 PolarHBondContact O-N 3.23Å; V137-F141 HydrophobicContact CG1-CD2 3.93Å; V137-F141 PolarHBondContact O-N 3.02Å; V137-M154 HydrophobicContact CG2-CG 3.68Å; V137-M154 HydrophobicContact CG2-SD 4.49Å; V137-L157 HydrophobicContact CG2-CD1 4.26Å; V137-L159 HydrophobicContact CG2-CD1 3.97Å; V137-V178 HydrophobicContact CG2-CG1 4.36Å; V137-Y182 HydrophobicContact CG1-CD1 3.83Å; V137-Y182 HydrophobicContact CG1-CD2 4.31Å; V137-Y182 HydrophobicContact CG1-CE1 3.43Å; V137-Y182 VanDerWaalsContact CG1-CE1 3.43Å; V137-Y182 HydrophobicContact CG1-CE2 3.96Å; V137-Y182 HydrophobicContact CG1-CG 4.25Å; V137-Y182 VanDerWaalsContact CG1-CZ 3.5Å |
| 138 | Q | 97 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.3 | -42.8 | 175.8 | -175.5 | 79.4 | 30.3 | 0 | 0 | 112.2 | A134 A140 G142 D143 Y182 F185 L188 A193 | A134-Q138 PolarHBondContact O-N 3.27Å; Q138-A140 VanDerWaalsContact C-N 3.25Å; Q138-A140 PolarHBondContact O-N 3.02Å; Q138-G142 WeakPolarHBondContact CA-O 3.5Å; Q138-G142 VanDerWaalsContact CD-O 3.23Å; Q138-G142 PolarHBondContact NE2-O 3Å; Q138-G142 WeakPolarHBondContact O-CA 3.35Å; Q138-G142 PolarHBondContact O-N 3.23Å; Q138-G142 VanDerWaalsContact O-N 3.13Å; Q138-G142 PolarHBondContact OE1-O 3.03Å; Q138-D143 PolarHBondContact NE2-OD1 3.48Å; Q138-Y182 HydrophobicContact CB-CD2 4.21Å; Q138-Y182 HydrophobicContact CB-CE2 4.03Å; Q138-Y182 VanDerWaalsContact OE1-CE2 3.25Å; Q138-F185 HydrophobicContact CG-CB 4.26Å; Q138-F185 PolarHBondContact NE2-O 2.94Å; Q138-F185 PolarHBondContact OE1-O 3.41Å; Q138-L188 HydrophobicContact CG-CB 4.18Å; Q138-L188 HydrophobicContact CG-CD2 4.32Å; Q138-L188 PolarHBondContact NE2-O 3.45Å; Q138-A193 HydrophobicContact CB-CB 4.2Å; Q138-A193 HydrophobicContact CG-CB 3.96Å |
| 139 | A | 95.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F110 L135 V137 A193 I194 | F110-A139 HydrophobicContact CE1-CB 4.5Å; F110-A139 HydrophobicContact CZ-CB 3.95Å; L135-A139 VanDerWaalsContact O-CB 3.28Å; L135-A139 WeakPolarHBondContact O-CB 3.48Å; L135-A139 PolarHBondContact O-N 2.98Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.91Å; A139-A193 HydrophobicContact CB-CB 4.04Å; A139-I194 HydrophobicContact CB-CG1 3.84Å |
| 140 | A | 94.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -103.9 | -34.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A136 V137 Q138 L157 | A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.01Å; V137-A140 PolarHBondContact O-N 3.23Å; Q138-A140 VanDerWaalsContact C-N 3.25Å; Q138-A140 PolarHBondContact O-N 3.02Å; A140-L157 HydrophobicContact CB-CD1 4.05Å; A140-L157 HydrophobicContact CB-CD2 4.5Å |
| 141 | F | 94.7 | Very high | 96 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -123.1 | -11.3 | -169.9 | -54.3 | -68.8 | 0 | 0 | 0 | 114.7 | V137 E153 K156 L157 | V137-F141 HydrophobicContact CG1-CD2 3.93Å; V137-F141 PolarHBondContact O-N 3.02Å; F141-E153 HydrophobicContact CD1-CB 4.26Å; F141-E153 HydrophobicContact CD1-CG 3.86Å; F141-E153 HydrophobicContact CD2-CB 3.77Å; F141-E153 HydrophobicContact CD2-CG 4.19Å; F141-E153 HydrophobicContact CE1-CB 4.18Å; F141-E153 HydrophobicContact CE1-CG 4.02Å; F141-E153 HydrophobicContact CE2-CB 3.65Å; F141-E153 HydrophobicContact CE2-CG 4.32Å; F141-E153 HydrophobicContact CG-CB 4.07Å; F141-E153 HydrophobicContact CG-CG 3.95Å; F141-E153 HydrophobicContact CZ-CB 3.88Å; F141-E153 HydrophobicContact CZ-CG 4.24Å; F141-E153 WeakPolarHBondContact CZ-O 3.33Å; F141-K156 HydrophobicContact CE1-CD 4.5Å; F141-K156 HydrophobicContact CZ-CB 4.48Å; F141-K156 HydrophobicContact CZ-CD 4.44Å; F141-L157 HydrophobicContact CD2-CD1 4.46Å; F141-L157 HydrophobicContact CE2-CD1 3.64Å; F141-L157 HydrophobicContact CE2-CD2 4.43Å; F141-L157 HydrophobicContact CE2-CG 3.83Å; F141-L157 HydrophobicContact CZ-CD1 4.41Å; F141-L157 HydrophobicContact CZ-CD2 4.42Å; F141-L157 HydrophobicContact CZ-CG 4.15Å |
| 142 | G | 94.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | trans | 90.3 | -143.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q138 Y182 | Q138-G142 WeakPolarHBondContact CA-O 3.5Å; Q138-G142 VanDerWaalsContact CD-O 3.23Å; Q138-G142 PolarHBondContact NE2-O 3Å; Q138-G142 WeakPolarHBondContact O-CA 3.35Å; Q138-G142 PolarHBondContact O-N 3.23Å; Q138-G142 VanDerWaalsContact O-N 3.13Å; Q138-G142 PolarHBondContact OE1-O 3.03Å; G142-Y182 WeakPolarHBondContact O-CE2 3.44Å; G142-Y182 PolarHBondContact O-OH 2.92Å; G142-Y182 VanDerWaalsContact O-OH 3.1Å | ||
| 143 | D | 96.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -78.1 | 148.2 | -179.2 | -66.2 | -38 | 0 | 0 | 0 | 113.2 | Q138 R145 T186 G187 | Q138-D143 PolarHBondContact NE2-OD1 3.48Å; D143-R145 WeakPolarHBondContact O-CG 3.35Å; D143-T186 HydrophobicContact CB-CG2 4.34Å; D143-T186 WeakPolarHBondContact OD1-CA 3.2Å; D143-G187 VanDerWaalsContact CG-N 3.35Å; D143-G187 PolarHBondContact OD1-N 2.94Å; D143-G187 PolarHBondContact OD2-N 3.27Å |
| 144 | Y | 96.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 45 Ų | 45 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | trans | -54.9 | 138.5 | 172.5 | 173.3 | -93.7 | 0 | 0 | 0 | 112.2 | E147 T150 I179 Y182 K183 | Y144-E147 PolarHBondContact OH-N 3.19Å; Y144-E147 VanDerWaalsContact OH-N 3.09Å; Y144-T150 HydrophobicContact CD2-CG2 4.45Å; Y144-T150 WeakPolarHBondContact CD2-OG1 3.39Å; Y144-I179 HydrophobicContact CE2-CG2 4.34Å; Y144-Y182 AromaticContact CD2-CD1 3.79Å; Y144-Y182 HydrophobicContact CD2-CD1 3.79Å; Y144-Y182 AromaticContact CD2-CE1 3.88Å; Y144-Y182 HydrophobicContact CD2-CE1 3.88Å; Y144-Y182 HydrophobicContact CG-CD1 4.39Å; Y144-Y182 HydrophobicContact CG-CE1 4.38Å; Y144-K183 HydrophobicContact CD1-CG 3.89Å; Y144-K183 HydrophobicContact CD2-CG 4.16Å; Y144-K183 HydrophobicContact CE1-CG 3.9Å; Y144-K183 HydrophobicContact CE2-CG 4.17Å; Y144-K183 HydrophobicContact CG-CG 4.02Å | ||
| 145 | R | 95.3 | Very high | 95.2 | Very high | 169 Ų | 169 | 51.5 Ų | 51.5 | 64% | 0.638 | 24% | 0.239 | S | C | * | . | trans | -123.3 | -55 | -177.4 | -52.7 | -176.7 | -166.7 | 175.2 | 6.9 | 112.8 | D143 | D143-R145 WeakPolarHBondContact O-CG 3.35Š| ||
| 146 | N | 95 | Very high | 94.8 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | trans | -160.6 | 154 | 170.8 | 64.4 | 77.2 | 0 | 0 | 0 | 109.9 | R148 L149 T150 | N146-R148 VanDerWaalsContact C-N 3.33Å; N146-R148 PolarHBondContact O-N 3.47Å; N146-R148 PolarHBondContact OD1-N 3.4Å; N146-L149 WeakPolarHBondContact ND2-CD1 3.28Å; N146-L149 PolarHBondContact O-N 3.27Å; N146-L149 PolarHBondContact OD1-N 3.07Å; N146-T150 PolarHBondContact O-N 2.94Å; N146-T150 PolarHBondContact O-OG1 2.75Å | ||
| 147 | E | 95 | Very high | 94.5 | Very high | 84 Ų | 84 | 59.5 Ų | 59.5 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57 | -41.1 | -173.5 | -163.9 | -170 | 121.8 | 0 | 0 | 113.7 | Y144 T150 R151 I179 | Y144-E147 PolarHBondContact OH-N 3.19Å; Y144-E147 VanDerWaalsContact OH-N 3.09Å; E147-T150 PolarHBondContact O-N 3.33Å; E147-R151 WeakPolarHBondContact O-CG 3.46Å; E147-R151 PolarHBondContact O-N 3.35Å; E147-R151 IonicContact OE1-CZ 3.05Å; E147-R151 VanDerWaalsContact OE1-CZ 3.28Å; E147-R151 IonicContact OE1-NE 2.64Å; E147-R151 PolarHBondContact OE1-NE 3.04Å; E147-R151 IonicContact OE1-NH2 3.8Å; E147-R151 PolarHBondContact OE1-NH2 3.29Å; E147-I179 HydrophobicContact CG-CD1 4.04Å; E147-I179 HydrophobicContact CG-CG2 4.28Å |
| 148 | R | 94.9 | Very high | 94.1 | Very high | 193 Ų | 193 | 62.1 Ų | 62.1 | 73% | 0.728 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.1 | -50.1 | -178.6 | 179.6 | 179.4 | 172.6 | 179.2 | -0.6 | 111.6 | N146 T150 R151 D152 | N146-R148 VanDerWaalsContact C-N 3.33Å; N146-R148 PolarHBondContact O-N 3.47Å; N146-R148 PolarHBondContact OD1-N 3.4Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 3.22Å; R148-R151 PolarHBondContact O-N 3.49Å; R148-D152 PolarHBondContact O-N 3.1Å |
| 149 | L | 94.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.2 | -71.2 | -177.6 | 0 | 0 | 0 | 110.6 | N146 R151 D152 E153 | N146-L149 WeakPolarHBondContact ND2-CD1 3.28Å; N146-L149 PolarHBondContact O-N 3.27Å; N146-L149 PolarHBondContact OD1-N 3.07Å; L149-R151 PolarHBondContact O-N 3.31Å; L149-D152 CarbonylContact O-C 3.48Å; L149-D152 PolarHBondContact O-N 3.33Å; L149-D152 VanDerWaalsContact O-N 3.14Å; L149-E153 WeakPolarHBondContact O-CB 3.39Å; L149-E153 VanDerWaalsContact O-CG 3.24Å; L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 2.87Å |
| 150 | T | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 179 | -65.1 | 0 | 0 | 0 | 0 | 113 | Y144 N146 E147 R148 D152 E153 M154 I179 Y182 | Y144-T150 HydrophobicContact CD2-CG2 4.45Å; Y144-T150 WeakPolarHBondContact CD2-OG1 3.39Å; N146-T150 PolarHBondContact O-N 2.94Å; N146-T150 PolarHBondContact O-OG1 2.75Å; E147-T150 PolarHBondContact O-N 3.33Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 3.22Å; T150-D152 PolarHBondContact O-N 3.15Å; T150-E153 WeakPolarHBondContact O-CB 3.39Å; T150-E153 PolarHBondContact O-N 3.5Å; T150-M154 HydrophobicContact CG2-CG 4.37Å; T150-M154 HydrophobicContact CG2-SD 3.67Å; T150-M154 WeakPolarHBondContact O-CB 3.47Å; T150-M154 WeakPolarHBondContact O-CG 3.41Å; T150-M154 PolarHBondContact O-N 3.48Å; T150-I179 HydrophobicContact CG2-CG1 3.84Å; T150-Y182 HydrophobicContact CG2-CD1 3.58Å; T150-Y182 HydrophobicContact CG2-CE1 3.62Å |
| 151 | R | 94.8 | Very high | 93.6 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 172.7 | -67.4 | -177.2 | -165.5 | -84.2 | 2.5 | 111.8 | E147 R148 L149 E153 M154 K155 E175 D176 I179 | E147-R151 WeakPolarHBondContact O-CG 3.46Å; E147-R151 PolarHBondContact O-N 3.35Å; E147-R151 IonicContact OE1-CZ 3.05Å; E147-R151 VanDerWaalsContact OE1-CZ 3.28Å; E147-R151 IonicContact OE1-NE 2.64Å; E147-R151 PolarHBondContact OE1-NE 3.04Å; E147-R151 IonicContact OE1-NH2 3.8Å; E147-R151 PolarHBondContact OE1-NH2 3.29Å; R148-R151 PolarHBondContact O-N 3.49Å; L149-R151 PolarHBondContact O-N 3.31Å; R151-E153 VanDerWaalsContact C-N 3.3Å; R151-E153 PolarHBondContact O-N 3.08Å; R151-M154 PolarHBondContact O-N 3.04Å; R151-K155 WeakPolarHBondContact O-CD 3.41Å; R151-K155 WeakPolarHBondContact O-CE 3.46Å; R151-K155 VanDerWaalsContact O-CG 3.25Å; R151-K155 WeakPolarHBondContact O-CG 3.42Å; R151-K155 PolarHBondContact O-N 3.35Å; R151-K155 VanDerWaalsContact O-N 3.09Å; R151-E175 WeakPolarHBondContact CD-OE2 3.45Å; R151-E175 WeakPolarHBondContact CG-OE2 3.35Å; R151-E175 IonicContact CZ-OE2 2.63Å; R151-E175 IonicContact NE-OE2 3.91Å; R151-E175 IonicContact NH1-OE2 3.78Å; R151-E175 PolarHBondContact NH1-OE2 3.26Å; R151-D176 IonicContact CZ-OD1 2.97Å; R151-D176 IonicContact NH1-OD1 2.69Å; R151-D176 PolarHBondContact NH1-OD1 3.19Å; R151-D176 IonicContact NH2-OD1 3.96Å; R151-D176 PolarHBondContact NH2-OD1 2.98Å; R151-I179 HydrophobicContact CG-CD1 3.75Å |
| 152 | D | 94 | Very high | 93.4 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.3 | -21.8 | 176.9 | -69.3 | -23.1 | 0 | 0 | 0 | 113.4 | R148 L149 T150 K155 K156 | R148-D152 PolarHBondContact O-N 3.1Å; L149-D152 CarbonylContact O-C 3.48Å; L149-D152 PolarHBondContact O-N 3.33Å; L149-D152 VanDerWaalsContact O-N 3.14Å; T150-D152 PolarHBondContact O-N 3.15Å; D152-K155 IonicContact OD1-NZ 3.55Å; D152-K155 PolarHBondContact OD1-NZ 3.31Å; D152-K156 VanDerWaalsContact O-CE 3.27Å; D152-K156 WeakPolarHBondContact O-CE 3.39Å |
| 153 | E | 92.5 | Very high | 93 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -79.3 | -43.3 | 169.9 | -77.1 | 167.6 | 163.6 | 0 | 0 | 111.6 | F141 L149 T150 R151 K155 K156 | F141-E153 HydrophobicContact CD1-CB 4.26Å; F141-E153 HydrophobicContact CD1-CG 3.86Å; F141-E153 HydrophobicContact CD2-CB 3.77Å; F141-E153 HydrophobicContact CD2-CG 4.19Å; F141-E153 HydrophobicContact CE1-CB 4.18Å; F141-E153 HydrophobicContact CE1-CG 4.02Å; F141-E153 HydrophobicContact CE2-CB 3.65Å; F141-E153 HydrophobicContact CE2-CG 4.32Å; F141-E153 HydrophobicContact CG-CB 4.07Å; F141-E153 HydrophobicContact CG-CG 3.95Å; F141-E153 HydrophobicContact CZ-CB 3.88Å; F141-E153 HydrophobicContact CZ-CG 4.24Å; F141-E153 WeakPolarHBondContact CZ-O 3.33Å; L149-E153 WeakPolarHBondContact O-CB 3.39Å; L149-E153 VanDerWaalsContact O-CG 3.24Å; L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 2.87Å; T150-E153 WeakPolarHBondContact O-CB 3.39Å; T150-E153 PolarHBondContact O-N 3.5Å; R151-E153 VanDerWaalsContact C-N 3.3Å; R151-E153 PolarHBondContact O-N 3.08Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.07Å; E153-K156 VanDerWaalsContact O-CB 3.32Å; E153-K156 WeakPolarHBondContact O-CB 3.3Å; E153-K156 PolarHBondContact O-N 3.17Å |
| 154 | M | 93.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 177.6 | -73.2 | 167.8 | 65.6 | 0 | 0 | 112.3 | V137 T150 R151 K156 L157 L159 F160 E175 V178 I179 | V137-M154 HydrophobicContact CG2-CG 3.68Å; V137-M154 HydrophobicContact CG2-SD 4.49Å; T150-M154 HydrophobicContact CG2-CG 4.37Å; T150-M154 HydrophobicContact CG2-SD 3.67Å; T150-M154 WeakPolarHBondContact O-CB 3.47Å; T150-M154 WeakPolarHBondContact O-CG 3.41Å; T150-M154 PolarHBondContact O-N 3.48Å; R151-M154 PolarHBondContact O-N 3.04Å; M154-K156 PolarHBondContact O-N 2.93Å; M154-K156 VanDerWaalsContact O-N 3.13Å; M154-L157 PolarHBondContact O-N 3.13Å; M154-L159 HydrophobicContact CB-CD1 4.04Å; M154-L159 HydrophobicContact CE-CD1 3.94Å; M154-L159 HydrophobicContact CG-CD1 3.88Å; M154-F160 HydrophobicContact CE-CZ 4.21Å; M154-E175 HydrophobicContact CE-CB 3.83Å; M154-E175 HydrophobicContact CE-CG 3.92Å; M154-V178 HydrophobicContact CE-CB 3.67Å; M154-V178 HydrophobicContact CE-CG1 3.51Å; M154-V178 HydrophobicContact CE-CG2 4.39Å; M154-V178 HydrophobicContact SD-CG1 4.06Å; M154-I179 HydrophobicContact SD-CD1 4.36Å; M154-I179 HydrophobicContact SD-CG1 3.91Å |
| 155 | K | 91.8 | Very high | 92.4 | Very high | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.5 | 171.9 | -70.4 | 162.6 | -153.5 | 166.1 | 0 | 114 | R151 D152 E153 | R151-K155 WeakPolarHBondContact O-CD 3.41Å; R151-K155 WeakPolarHBondContact O-CE 3.46Å; R151-K155 VanDerWaalsContact O-CG 3.25Å; R151-K155 WeakPolarHBondContact O-CG 3.42Å; R151-K155 PolarHBondContact O-N 3.35Å; R151-K155 VanDerWaalsContact O-N 3.09Å; D152-K155 IonicContact OD1-NZ 3.55Å; D152-K155 PolarHBondContact OD1-NZ 3.31Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.07Å |
| 156 | K | 90 | Very high | 92.1 | Very high | 146 Ų | 146 | 66.7 Ų | 66.7 | 64% | 0.635 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.9 | 175.2 | -54.5 | 168.1 | -171.3 | 166.5 | 0 | 112.4 | F141 D152 E153 M154 | F141-K156 HydrophobicContact CE1-CD 4.5Å; F141-K156 HydrophobicContact CZ-CB 4.48Å; F141-K156 HydrophobicContact CZ-CD 4.44Å; D152-K156 VanDerWaalsContact O-CE 3.27Å; D152-K156 WeakPolarHBondContact O-CE 3.39Å; E153-K156 VanDerWaalsContact O-CB 3.32Å; E153-K156 WeakPolarHBondContact O-CB 3.3Å; E153-K156 PolarHBondContact O-N 3.17Å; M154-K156 PolarHBondContact O-N 2.93Å; M154-K156 VanDerWaalsContact O-N 3.13Å |
| 157 | L | 90.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 71.7 Ų | 71.7 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -111.7 | 128.9 | -179.1 | -65.2 | -170.7 | 0 | 0 | 0 | 111.3 | V137 A140 F141 M154 L159 | V137-L157 HydrophobicContact CG2-CD1 4.26Å; A140-L157 HydrophobicContact CB-CD1 4.05Å; A140-L157 HydrophobicContact CB-CD2 4.5Å; F141-L157 HydrophobicContact CD2-CD1 4.46Å; F141-L157 HydrophobicContact CE2-CD1 3.64Å; F141-L157 HydrophobicContact CE2-CD2 4.43Å; F141-L157 HydrophobicContact CE2-CG 3.83Å; F141-L157 HydrophobicContact CZ-CD1 4.41Å; F141-L157 HydrophobicContact CZ-CD2 4.42Å; F141-L157 HydrophobicContact CZ-CG 4.15Å; M154-L157 PolarHBondContact O-N 3.13Å; L157-L159 HydrophobicContact CB-CD1 4.49Å; L157-L159 HydrophobicContact CB-CD2 3.75Å; L157-L159 HydrophobicContact CB-CG 3.85Å; L157-L159 HydrophobicContact CD1-CD2 4.13Å; L157-L159 PolarHBondContact O-N 3.47Å |
| 158 | P | 89.3 | Confident | 91.7 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | trans | -73.2 | 90.7 | 169.6 | 30.2 | -32.8 | 0 | 0 | 0 | 109.3 | Y118 | Y118-P158 HydrophobicContact CD1-CB 3.69Å; Y118-P158 VanDerWaalsContact CD2-C 3.44Å; Y118-P158 HydrophobicContact CD2-CB 3.54Å; Y118-P158 HydrophobicContact CE1-CB 3.75Å; Y118-P158 HydrophobicContact CE2-CB 3.6Å; Y118-P158 HydrophobicContact CG-CB 3.57Å | ||
| 159 | L | 92.3 | Very high | 91.1 | Very high | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | trans | -95.5 | -47.4 | -175.7 | -62.4 | -178.4 | 0 | 0 | 0 | 113.6 | A136 V137 M154 L157 | A136-L159 HydrophobicContact CB-CD2 4.21Å; V137-L159 HydrophobicContact CG2-CD1 3.97Å; M154-L159 HydrophobicContact CB-CD1 4.04Å; M154-L159 HydrophobicContact CE-CD1 3.94Å; M154-L159 HydrophobicContact CG-CD1 3.88Å; L157-L159 HydrophobicContact CB-CD1 4.49Å; L157-L159 HydrophobicContact CB-CD2 3.75Å; L157-L159 HydrophobicContact CB-CG 3.85Å; L157-L159 HydrophobicContact CD1-CD2 4.13Å; L157-L159 PolarHBondContact O-N 3.47Å | ||
| 160 | F | 93.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -104.6 | 130.3 | -169.2 | -51.4 | -54 | 0 | 0 | 0 | 112 | Y118 F130 M154 L164 L165 V171 C174 E175 V178 | Y118-F160 VanDerWaalsContact CD2-O 3.29Å; Y118-F160 WeakPolarHBondContact CD2-O 3.34Å; Y118-F160 WeakPolarHBondContact CE2-O 3.45Å; F130-F160 HydrophobicContact CD1-CE1 4.06Å; F130-F160 HydrophobicContact CE1-CE1 4.18Å; M154-F160 HydrophobicContact CE-CZ 4.21Å; F160-L164 HydrophobicContact CB-CD2 4.2Å; F160-L164 HydrophobicContact CD1-CD2 3.77Å; F160-L164 HydrophobicContact CG-CD2 4.34Å; F160-L165 HydrophobicContact CB-CD1 4.28Å; F160-L165 HydrophobicContact CB-CD2 3.93Å; F160-L165 HydrophobicContact CB-CG 4.06Å; F160-L165 HydrophobicContact CG-CD2 4.42Å; F160-V171 HydrophobicContact CD2-CG1 4.09Å; F160-V171 HydrophobicContact CE2-CG1 4.31Å; F160-C174 HydrophobicContact CD1-CB 4.08Å; F160-C174 HydrophobicContact CD2-CB 4Å; F160-C174 HydrophobicContact CE1-CB 3.84Å; F160-C174 HydrophobicContact CE2-CB 3.75Å; F160-C174 HydrophobicContact CG-CB 4.16Å; F160-C174 VanDerWaalsContact CZ-C 3.46Å; F160-C174 HydrophobicContact CZ-CB 3.67Å; F160-C174 VanDerWaalsContact CZ-O 3.25Å; F160-C174 WeakPolarHBondContact CZ-O 3.21Å; F160-E175 HydrophobicContact CE2-CG 4.16Å; F160-V178 HydrophobicContact CE1-CG2 3.69Å; F160-V178 HydrophobicContact CZ-CG2 3.76Å |
| 161 | S | 91.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | trans | -77.3 | 153.6 | 176.9 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | Y118 D163 L164 L165 | Y118-S161 VanDerWaalsContact O-CA 3.27Å; Y118-S161 WeakPolarHBondContact O-CA 3.16Å; Y118-S161 WeakPolarHBondContact O-CB 3.11Å; S161-D163 PolarHBondContact O-N 2.99Å; S161-D163 VanDerWaalsContact O-N 3.08Å; S161-L164 PolarHBondContact O-N 2.88Å; S161-L164 VanDerWaalsContact O-N 3.12Å; S161-L164 PolarHBondContact OG-N 2.87Å; S161-L165 WeakPolarHBondContact O-CG 3.33Å; S161-L165 PolarHBondContact O-N 3.02Å | ||
| 162 | Q | 89.5 | Confident | 90.6 | Very high | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -17.6 | 176 | -66.9 | -174.5 | 1.1 | 0 | 0 | 113.7 | K166 | Q162-K166 VanDerWaalsContact O-CE 3.24Å; Q162-K166 WeakPolarHBondContact O-CE 3.31Å; Q162-K166 WeakPolarHBondContact O-CG 3.47Å |
| 163 | D | 85.8 | Confident | 90.5 | Very high | 50 Ų | 50 | 75 Ų | 75 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -35.9 | 175.4 | -72.1 | -32.6 | 0 | 0 | 0 | 112.5 | R123 S161 K166 Y167 | R123-D163 IonicContact CZ-OD2 2.66Å; R123-D163 IonicContact NH1-OD2 3.18Å; R123-D163 PolarHBondContact NH1-OD2 3.06Å; R123-D163 IonicContact NH2-OD2 3.38Å; R123-D163 PolarHBondContact NH2-OD2 3.38Å; S161-D163 PolarHBondContact O-N 2.99Å; S161-D163 VanDerWaalsContact O-N 3.08Å; D163-K166 PolarHBondContact O-N 3.26Å; D163-K166 IonicContact OD1-NZ 2.69Å; D163-K166 PolarHBondContact OD1-NZ 3.04Å; D163-Y167 VanDerWaalsContact O-CD2 3.29Å; D163-Y167 WeakPolarHBondContact O-CD2 3.49Å; D163-Y167 VanDerWaalsContact O-CE2 3.31Å; D163-Y167 WeakPolarHBondContact O-CE2 3.36Å |
| 164 | L | 89.7 | Confident | 90.6 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -61.9 | -45.7 | 173.1 | -176.3 | 74.1 | 0 | 0 | 0 | 110.7 | H126 V129 F130 F160 S161 K166 Y167 Y168 | H126-L164 HydrophobicContact CB-CD1 3.98Å; H126-L164 WeakPolarHBondContact CD2-CD1 3.48Å; V129-L164 HydrophobicContact CG1-CD2 3.9Å; F130-L164 HydrophobicContact CE1-CD2 4.05Å; F160-L164 HydrophobicContact CB-CD2 4.2Å; F160-L164 HydrophobicContact CD1-CD2 3.77Å; F160-L164 HydrophobicContact CG-CD2 4.34Å; S161-L164 PolarHBondContact O-N 2.88Å; S161-L164 VanDerWaalsContact O-N 3.12Å; S161-L164 PolarHBondContact OG-N 2.87Å; L164-K166 PolarHBondContact O-N 3.22Å; L164-Y167 PolarHBondContact O-N 2.98Å; L164-Y168 HydrophobicContact CD1-CE2 3.91Å; L164-Y168 HydrophobicContact CG-CD2 4.36Å; L164-Y168 HydrophobicContact CG-CE2 4.22Å |
| 165 | L | 91.2 | Very high | 90.7 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -66.1 | -0 | -177.3 | -63.7 | 177.2 | 0 | 0 | 0 | 114.7 | F160 S161 V171 | F160-L165 HydrophobicContact CB-CD1 4.28Å; F160-L165 HydrophobicContact CB-CD2 3.93Å; F160-L165 HydrophobicContact CB-CG 4.06Å; F160-L165 HydrophobicContact CG-CD2 4.42Å; S161-L165 WeakPolarHBondContact O-CG 3.33Å; S161-L165 PolarHBondContact O-N 3.02Å; L165-V171 HydrophobicContact CD1-CG2 4.32Å; L165-V171 HydrophobicContact CD2-CG2 4.08Å |
| 166 | K | 90.4 | Very high | 90.9 | Very high | 146 Ų | 146 | 70.9 Ų | 70.9 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -85.9 | -14.5 | 171.7 | -66.9 | 167.2 | -173.5 | 167.5 | 0 | 113.3 | Q162 D163 L164 | Q162-K166 VanDerWaalsContact O-CE 3.24Å; Q162-K166 WeakPolarHBondContact O-CE 3.31Å; Q162-K166 WeakPolarHBondContact O-CG 3.47Å; D163-K166 PolarHBondContact O-N 3.26Å; D163-K166 IonicContact OD1-NZ 2.69Å; D163-K166 PolarHBondContact OD1-NZ 3.04Å; L164-K166 PolarHBondContact O-N 3.22Å |
| 167 | Y | 89.9 | Confident | 91.2 | Very high | 173 Ų | 173 | 67.9 Ų | 67.9 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -103 | -9.4 | -175.3 | -62.6 | -79.3 | 0 | 0 | 0 | 114.1 | H126 D163 L164 | H126-Y167 AromaticContact CE1-CD2 3.81Å; H126-Y167 AromaticContact CE1-CG 3.76Å; H126-Y167 AromaticContact NE2-CD2 3.84Å; D163-Y167 VanDerWaalsContact O-CD2 3.29Å; D163-Y167 WeakPolarHBondContact O-CD2 3.49Å; D163-Y167 VanDerWaalsContact O-CE2 3.31Å; D163-Y167 WeakPolarHBondContact O-CE2 3.36Å; L164-Y167 PolarHBondContact O-N 2.98Å |
| 168 | Y | 90.5 | Very high | 91.6 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -117.2 | 149.9 | -177 | -67.5 | -83.4 | 0 | 0 | 0 | 110.2 | H126 F130 L164 E173 C174 | H126-Y168 WeakPolarHBondContact CB-OH 3.4Å; H126-Y168 AromaticContact CE1-CE2 3.91Å; H126-Y168 AromaticContact ND1-CE2 3.39Å; H126-Y168 WeakPolarHBondContact ND1-CE2 3.39Å; H126-Y168 AromaticContact ND1-CZ 3.55Å; H126-Y168 PolarHBondContact ND1-OH 3.07Å; F130-Y168 HydrophobicContact CE2-CE1 4.45Å; F130-Y168 AromaticContact CE2-CZ 3.93Å; F130-Y168 WeakPolarHBondContact CE2-OH 3.33Å; F130-Y168 HydrophobicContact CZ-CE1 4.08Å; F130-Y168 AromaticContact CZ-CE2 3.87Å; F130-Y168 HydrophobicContact CZ-CE2 3.87Å; F130-Y168 AromaticContact CZ-CZ 3.59Å; L164-Y168 HydrophobicContact CD1-CE2 3.91Å; L164-Y168 HydrophobicContact CG-CD2 4.36Å; L164-Y168 HydrophobicContact CG-CE2 4.22Å; Y168-E173 HydrophobicContact CD1-CG 3.88Å; Y168-C174 VanDerWaalsContact CD2-SG 3.51Å; Y168-C174 VanDerWaalsContact CG-SG 3.55Å |
| 169 | Y | 83.2 | Confident | 91.9 | Very high | 228 Ų | 228 | 64.2 Ų | 64.2 | 89% | 0.894 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -73.8 | -29.9 | -176.5 | -176.1 | -98.4 | 0 | 0 | 0 | 112.1 | E173 | Y169-E173 PolarHBondContact N-OE2 3.05Š|
| 170 | S | 88.9 | Confident | 92.2 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | trans | -144.8 | 163 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | T172 E173 | S170-T172 PolarHBondContact O-N 2.97Å; S170-T172 PolarHBondContact OG-N 3.3Å; S170-T172 PolarHBondContact OG-OG1 2.95Å; S170-E173 PolarHBondContact O-N 3.23Å; S170-E173 PolarHBondContact OG-N 3.35Å; S170-E173 VanDerWaalsContact OG-N 3.15Å | ||
| 171 | V | 90.9 | Very high | 92.4 | Very high | 71 Ų | 71 | 70.3 Ų | 70.3 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 168 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | F160 L165 E173 C174 E175 | F160-V171 HydrophobicContact CD2-CG1 4.09Å; F160-V171 HydrophobicContact CE2-CG1 4.31Å; L165-V171 HydrophobicContact CD1-CG2 4.32Å; L165-V171 HydrophobicContact CD2-CG2 4.08Å; V171-E173 VanDerWaalsContact C-N 3.32Å; V171-E173 PolarHBondContact O-N 2.83Å; V171-C174 WeakPolarHBondContact O-CB 3.22Å; V171-C174 PolarHBondContact O-N 3.09Å; V171-C174 VanDerWaalsContact O-N 3.15Å; V171-E175 HydrophobicContact CG1-CG 4.43Å; V171-E175 WeakPolarHBondContact O-CG 3.5Å; V171-E175 PolarHBondContact O-N 2.99Å |
| 172 | T | 92.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -35.7 | -179 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | S170 C174 E175 D176 | S170-T172 PolarHBondContact O-N 2.97Å; S170-T172 PolarHBondContact OG-N 3.3Å; S170-T172 PolarHBondContact OG-OG1 2.95Å; T172-C174 VanDerWaalsContact C-N 3.29Å; T172-C174 PolarHBondContact O-N 3.36Å; T172-E175 CarbonylContact O-C 3.48Å; T172-E175 WeakPolarHBondContact O-CA 3.5Å; T172-E175 WeakPolarHBondContact O-CB 3.18Å; T172-E175 PolarHBondContact O-N 3.48Å; T172-D176 PolarHBondContact O-N 2.89Å; T172-D176 VanDerWaalsContact O-OD1 3.05Å |
| 173 | E | 93.8 | Very high | 93 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 34% | 0.341 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 174.3 | -169.6 | 177.5 | -164.5 | 0 | 0 | 111.5 | Y168 Y169 S170 V171 D176 H177 | Y168-E173 HydrophobicContact CD1-CG 3.88Å; Y169-E173 PolarHBondContact N-OE2 3.05Å; S170-E173 PolarHBondContact O-N 3.23Å; S170-E173 PolarHBondContact OG-N 3.35Å; S170-E173 VanDerWaalsContact OG-N 3.15Å; V171-E173 VanDerWaalsContact C-N 3.32Å; V171-E173 PolarHBondContact O-N 2.83Å; E173-D176 PolarHBondContact O-N 3.01Å; E173-H177 PolarHBondContact O-CD2 3.41Å; E173-H177 PolarHBondContact O-N 2.91Å |
| 174 | C | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 170.8 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | F130 F160 Y168 V171 T172 V178 | F130-C174 HydrophobicContact CE1-CB 3.82Å; F130-C174 HydrophobicContact CZ-CB 4.47Å; F160-C174 HydrophobicContact CD1-CB 4.08Å; F160-C174 HydrophobicContact CD2-CB 4Å; F160-C174 HydrophobicContact CE1-CB 3.84Å; F160-C174 HydrophobicContact CE2-CB 3.75Å; F160-C174 HydrophobicContact CG-CB 4.16Å; F160-C174 VanDerWaalsContact CZ-C 3.46Å; F160-C174 HydrophobicContact CZ-CB 3.67Å; F160-C174 VanDerWaalsContact CZ-O 3.25Å; F160-C174 WeakPolarHBondContact CZ-O 3.21Å; Y168-C174 VanDerWaalsContact CD2-SG 3.51Å; Y168-C174 VanDerWaalsContact CG-SG 3.55Å; V171-C174 WeakPolarHBondContact O-CB 3.22Å; V171-C174 PolarHBondContact O-N 3.09Å; V171-C174 VanDerWaalsContact O-N 3.15Å; T172-C174 VanDerWaalsContact C-N 3.29Å; T172-C174 PolarHBondContact O-N 3.36Å; C174-V178 PolarHBondContact O-N 2.93Å |
| 175 | E | 95.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.2 | -65.6 | 179.6 | 166.2 | 0 | 0 | 111.4 | R151 M154 F160 V171 T172 H177 V178 I179 | R151-E175 WeakPolarHBondContact CD-OE2 3.45Å; R151-E175 WeakPolarHBondContact CG-OE2 3.35Å; R151-E175 IonicContact CZ-OE2 2.63Å; R151-E175 IonicContact NE-OE2 3.91Å; R151-E175 IonicContact NH1-OE2 3.78Å; R151-E175 PolarHBondContact NH1-OE2 3.26Å; M154-E175 HydrophobicContact CE-CB 3.83Å; M154-E175 HydrophobicContact CE-CG 3.92Å; F160-E175 HydrophobicContact CE2-CG 4.16Å; V171-E175 HydrophobicContact CG1-CG 4.43Å; V171-E175 WeakPolarHBondContact O-CG 3.5Å; V171-E175 PolarHBondContact O-N 2.99Å; T172-E175 CarbonylContact O-C 3.48Å; T172-E175 WeakPolarHBondContact O-CA 3.5Å; T172-E175 WeakPolarHBondContact O-CB 3.18Å; T172-E175 PolarHBondContact O-N 3.48Å; E175-H177 PolarHBondContact O-N 3.3Å; E175-V178 CarbonylContact O-C 3.58Å; E175-V178 WeakPolarHBondContact O-CB 3.12Å; E175-V178 PolarHBondContact O-N 2.93Å; E175-V178 VanDerWaalsContact O-N 3.09Å; E175-I179 HydrophobicContact CB-CD1 4.2Å; E175-I179 WeakPolarHBondContact O-CB 3.17Å; E175-I179 WeakPolarHBondContact O-CD1 3.49Å; E175-I179 VanDerWaalsContact O-CG1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.49Å; E175-I179 PolarHBondContact O-N 3.25Å |
| 176 | D | 96.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | -175.5 | -61.2 | -17.9 | 0 | 0 | 0 | 111 | R151 T172 E173 V178 I179 E180 | R151-D176 IonicContact CZ-OD1 2.97Å; R151-D176 IonicContact NH1-OD1 2.69Å; R151-D176 PolarHBondContact NH1-OD1 3.19Å; R151-D176 IonicContact NH2-OD1 3.96Å; R151-D176 PolarHBondContact NH2-OD1 2.98Å; T172-D176 PolarHBondContact O-N 2.89Å; T172-D176 VanDerWaalsContact O-OD1 3.05Å; E173-D176 PolarHBondContact O-N 3.01Å; D176-V178 VanDerWaalsContact C-N 3.32Å; D176-V178 PolarHBondContact O-N 2.94Å; D176-I179 PolarHBondContact O-N 3.36Å; D176-E180 PolarHBondContact O-N 2.93Å |
| 177 | H | 96.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 65 Ų | 65 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 173.4 | -71.5 | -59.7 | 0 | 0 | 0 | 113.1 | F130 E173 E175 L181 | F130-H177 HydrophobicContact CB-CB 4.21Å; F130-H177 HydrophobicContact CD1-CB 4.01Å; F130-H177 HydrophobicContact CD2-CB 3.64Å; F130-H177 AromaticContact CD2-CG 3.95Å; F130-H177 HydrophobicContact CE1-CB 4.27Å; F130-H177 HydrophobicContact CE2-CB 3.91Å; F130-H177 AromaticContact CE2-CD2 3.53Å; F130-H177 AromaticContact CE2-CG 3.8Å; F130-H177 HydrophobicContact CG-CB 3.7Å; F130-H177 HydrophobicContact CZ-CB 4.22Å; F130-H177 AromaticContact CZ-CD2 3.69Å; E173-H177 PolarHBondContact O-CD2 3.41Å; E173-H177 PolarHBondContact O-N 2.91Å; E175-H177 PolarHBondContact O-N 3.3Å; H177-L181 WeakPolarHBondContact O-CG 3.4Å; H177-L181 PolarHBondContact O-N 2.75Å |
| 178 | V | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | F130 A134 V137 M154 F160 C174 E175 D176 L181 Y182 | F130-V178 HydrophobicContact CB-CG2 4.15Å; F130-V178 HydrophobicContact CD1-CG2 3.98Å; A134-V178 HydrophobicContact CB-CG1 4.17Å; V137-V178 HydrophobicContact CG2-CG1 4.36Å; M154-V178 HydrophobicContact CE-CB 3.67Å; M154-V178 HydrophobicContact CE-CG1 3.51Å; M154-V178 HydrophobicContact CE-CG2 4.39Å; M154-V178 HydrophobicContact SD-CG1 4.06Å; F160-V178 HydrophobicContact CE1-CG2 3.69Å; F160-V178 HydrophobicContact CZ-CG2 3.76Å; C174-V178 PolarHBondContact O-N 2.93Å; E175-V178 CarbonylContact O-C 3.58Å; E175-V178 WeakPolarHBondContact O-CB 3.12Å; E175-V178 PolarHBondContact O-N 2.93Å; E175-V178 VanDerWaalsContact O-N 3.09Å; D176-V178 VanDerWaalsContact C-N 3.32Å; D176-V178 PolarHBondContact O-N 2.94Å; V178-L181 PolarHBondContact O-N 3.42Å; V178-Y182 WeakPolarHBondContact O-CB 3.46Å; V178-Y182 PolarHBondContact O-N 3.46Å |
| 179 | I | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66 | -45 | -179.6 | -73.2 | 162.2 | 0 | 0 | 0 | 111.1 | Y144 E147 T150 R151 M154 E175 D176 L181 Y182 K183 | Y144-I179 HydrophobicContact CE2-CG2 4.34Å; E147-I179 HydrophobicContact CG-CD1 4.04Å; E147-I179 HydrophobicContact CG-CG2 4.28Å; T150-I179 HydrophobicContact CG2-CG1 3.84Å; R151-I179 HydrophobicContact CG-CD1 3.75Å; M154-I179 HydrophobicContact SD-CD1 4.36Å; M154-I179 HydrophobicContact SD-CG1 3.91Å; E175-I179 HydrophobicContact CB-CD1 4.2Å; E175-I179 WeakPolarHBondContact O-CB 3.17Å; E175-I179 WeakPolarHBondContact O-CD1 3.49Å; E175-I179 VanDerWaalsContact O-CG1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.49Å; E175-I179 PolarHBondContact O-N 3.25Å; D176-I179 PolarHBondContact O-N 3.36Å; I179-L181 PolarHBondContact O-N 2.7Å; I179-Y182 PolarHBondContact O-N 3.1Å; I179-K183 WeakPolarHBondContact O-CG 3.29Å; I179-K183 PolarHBondContact O-N 3.32Å |
| 180 | E | 97.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.2 | -67.1 | -45.1 | 125.1 | 0 | 0 | 112.2 | D176 K183 | D176-E180 PolarHBondContact O-N 2.93Å; E180-K183 IonicContact OE1-NZ 3.23Å; E180-K183 PolarHBondContact OE1-NZ 2.98Å; E180-K183 IonicContact OE2-NZ 3.28Å; E180-K183 PolarHBondContact OE2-NZ 3.24Å |
| 181 | L | 97.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 175.6 | -69.7 | 171 | 0 | 0 | 0 | 112.1 | F130 H131 A134 H177 V178 I179 K183 T184 | F130-L181 HydrophobicContact CB-CD1 3.82Å; H131-L181 HydrophobicContact CB-CD1 4.27Å; A134-L181 HydrophobicContact CB-CB 3.73Å; H177-L181 WeakPolarHBondContact O-CG 3.4Å; H177-L181 PolarHBondContact O-N 2.75Å; V178-L181 PolarHBondContact O-N 3.42Å; I179-L181 PolarHBondContact O-N 2.7Å; L181-K183 PolarHBondContact O-N 3.34Å; L181-T184 WeakPolarHBondContact O-CB 3.41Å; L181-T184 PolarHBondContact O-N 3.34Å; L181-T184 VanDerWaalsContact O-N 3.08Å; L181-T184 PolarHBondContact O-OG1 3.24Å |
| 182 | Y | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 179.9 | 176.1 | -143.2 | 0 | 0 | 0 | 112.7 | V137 Q138 G142 Y144 T150 V178 I179 T184 F185 | V137-Y182 HydrophobicContact CG1-CD1 3.83Å; V137-Y182 HydrophobicContact CG1-CD2 4.31Å; V137-Y182 HydrophobicContact CG1-CE1 3.43Å; V137-Y182 VanDerWaalsContact CG1-CE1 3.43Å; V137-Y182 HydrophobicContact CG1-CE2 3.96Å; V137-Y182 HydrophobicContact CG1-CG 4.25Å; V137-Y182 VanDerWaalsContact CG1-CZ 3.5Å; Q138-Y182 HydrophobicContact CB-CD2 4.21Å; Q138-Y182 HydrophobicContact CB-CE2 4.03Å; Q138-Y182 VanDerWaalsContact OE1-CE2 3.25Å; G142-Y182 WeakPolarHBondContact O-CE2 3.44Å; G142-Y182 PolarHBondContact O-OH 2.92Å; G142-Y182 VanDerWaalsContact O-OH 3.1Å; Y144-Y182 AromaticContact CD2-CD1 3.79Å; Y144-Y182 HydrophobicContact CD2-CD1 3.79Å; Y144-Y182 AromaticContact CD2-CE1 3.88Å; Y144-Y182 HydrophobicContact CD2-CE1 3.88Å; Y144-Y182 HydrophobicContact CG-CD1 4.39Å; Y144-Y182 HydrophobicContact CG-CE1 4.38Å; T150-Y182 HydrophobicContact CG2-CD1 3.58Å; T150-Y182 HydrophobicContact CG2-CE1 3.62Å; V178-Y182 WeakPolarHBondContact O-CB 3.46Å; V178-Y182 PolarHBondContact O-N 3.46Å; I179-Y182 PolarHBondContact O-N 3.1Å; Y182-T184 PolarHBondContact O-N 3.21Å; Y182-F185 PolarHBondContact O-N 3.11Å |
| 183 | K | 97.6 | Very high | 96.2 | Very high | 66 Ų | 66 | 43.6 Ų | 43.6 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.9 | -35 | 171.5 | -72 | 166.2 | -174.3 | 171.7 | 0 | 112.5 | Y144 I179 E180 L181 F185 T186 | Y144-K183 HydrophobicContact CD1-CG 3.89Å; Y144-K183 HydrophobicContact CD2-CG 4.16Å; Y144-K183 HydrophobicContact CE1-CG 3.9Å; Y144-K183 HydrophobicContact CE2-CG 4.17Å; Y144-K183 HydrophobicContact CG-CG 4.02Å; I179-K183 WeakPolarHBondContact O-CG 3.29Å; I179-K183 PolarHBondContact O-N 3.32Å; E180-K183 IonicContact OE1-NZ 3.23Å; E180-K183 PolarHBondContact OE1-NZ 2.98Å; E180-K183 IonicContact OE2-NZ 3.28Å; E180-K183 PolarHBondContact OE2-NZ 3.24Å; L181-K183 PolarHBondContact O-N 3.34Å; K183-F185 VanDerWaalsContact C-N 3.25Å; K183-F185 PolarHBondContact O-N 3.34Å; K183-T186 PolarHBondContact O-OG1 3.24Å; K183-T186 VanDerWaalsContact O-OG1 3.1Å |
| 184 | T | 97.4 | Very high | 96.4 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.5 | 179.1 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | L181 Y182 | L181-T184 WeakPolarHBondContact O-CB 3.41Å; L181-T184 PolarHBondContact O-N 3.34Å; L181-T184 VanDerWaalsContact O-N 3.08Å; L181-T184 PolarHBondContact O-OG1 3.24Å; Y182-T184 PolarHBondContact O-N 3.21Å |
| 185 | F | 96.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.9 | -176.7 | -61.3 | -18.1 | 0 | 0 | 0 | 114.3 | H131 A134 L135 Q138 Y182 K183 G187 L188 | H131-F185 AromaticContact CE1-CZ 3.63Å; H131-F185 AromaticContact NE2-CZ 3.78Å; A134-F185 HydrophobicContact CB-CD2 4.04Å; A134-F185 HydrophobicContact CB-CE2 3.5Å; A134-F185 HydrophobicContact CB-CZ 4.38Å; L135-F185 HydrophobicContact CB-CE2 4.39Å; L135-F185 HydrophobicContact CD2-CD2 3.91Å; L135-F185 HydrophobicContact CD2-CE2 3.54Å; L135-F185 HydrophobicContact CD2-CZ 3.92Å; L135-F185 HydrophobicContact CG-CD2 4.36Å; L135-F185 HydrophobicContact CG-CE2 3.6Å; L135-F185 HydrophobicContact CG-CZ 4.03Å; Q138-F185 HydrophobicContact CG-CB 4.26Å; Q138-F185 PolarHBondContact NE2-O 2.94Å; Q138-F185 PolarHBondContact OE1-O 3.41Å; Y182-F185 PolarHBondContact O-N 3.11Å; K183-F185 VanDerWaalsContact C-N 3.25Å; K183-F185 PolarHBondContact O-N 3.34Å; F185-G187 PolarHBondContact O-N 3.01Å; F185-L188 HydrophobicContact CB-CB 4.29Å; F185-L188 HydrophobicContact CB-CD2 4.14Å; F185-L188 HydrophobicContact CG-CD2 4.18Å; F185-L188 WeakPolarHBondContact O-CB 3.41Å; F185-L188 PolarHBondContact O-N 2.94Å |
| 186 | T | 95.9 | Very high | 96.5 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 125.8 | 175.6 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | D143 K183 | D143-T186 HydrophobicContact CB-CG2 4.34Å; D143-T186 WeakPolarHBondContact OD1-CA 3.2Å; K183-T186 PolarHBondContact O-OG1 3.24Å; K183-T186 VanDerWaalsContact O-OG1 3.1Å |
| 187 | G | 94.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 60% | 0.598 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -3.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D143 F185 T189 | D143-G187 VanDerWaalsContact CG-N 3.35Å; D143-G187 PolarHBondContact OD1-N 2.94Å; D143-G187 PolarHBondContact OD2-N 3.27Å; F185-G187 PolarHBondContact O-N 3.01Å; G187-T189 PolarHBondContact O-N 3.45Å |
| 188 | L | 95.9 | Very high | 96.7 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | trans | -80.2 | 106.2 | 179.7 | -171.5 | 68.9 | 0 | 0 | 0 | 110.9 | L135 Q138 F185 N192 A193 K196 | L135-L188 HydrophobicContact CD2-CD2 3.78Å; Q138-L188 HydrophobicContact CG-CB 4.18Å; Q138-L188 HydrophobicContact CG-CD2 4.32Å; Q138-L188 PolarHBondContact NE2-O 3.45Å; F185-L188 HydrophobicContact CB-CB 4.29Å; F185-L188 HydrophobicContact CB-CD2 4.14Å; F185-L188 HydrophobicContact CG-CD2 4.18Å; F185-L188 WeakPolarHBondContact O-CB 3.41Å; F185-L188 PolarHBondContact O-N 2.94Å; L188-N192 HydrophobicContact CD1-CB 3.6Å; L188-N192 HydrophobicContact CG-CB 4.16Å; L188-A193 HydrophobicContact CD2-CB 4.03Å; L188-A193 HydrophobicContact CG-CB 4.35Å; L188-K196 HydrophobicContact CD1-CD 4.25Å; L188-K196 HydrophobicContact CD2-CD 4.04Å | ||
| 189 | T | 95.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 39% | 0.387 | 22% | 0.222 | S | C | . | . | trans | -58.5 | 149.1 | 179.6 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | G187 G191 N192 A193 | G187-T189 PolarHBondContact O-N 3.45Å; T189-G191 VanDerWaalsContact C-N 3.29Å; T189-G191 PolarHBondContact O-N 3.23Å; T189-N192 WeakPolarHBondContact O-CA 3.45Å; T189-N192 WeakPolarHBondContact O-CB 3.4Å; T189-N192 PolarHBondContact O-N 2.87Å; T189-N192 PolarHBondContact OG1-ND2 3.31Å; T189-A193 PolarHBondContact O-N 3.18Å | ||
| 190 | R | 95.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -44.4 | -51.2 | -178.6 | -179.9 | -176.8 | -169.9 | -106.3 | 0.7 | 113.1 | E107 N192 A193 I194 L335 N336 | E107-R190 IonicContact OE1-CZ 3.97Å; E107-R190 IonicContact OE1-NH1 3.31Å; E107-R190 IonicContact OE1-NH2 3.2Å; E107-R190 PolarHBondContact OE1-NH2 3.16Å; E107-R190 IonicContact OE2-CZ 2.7Å; E107-R190 IonicContact OE2-NH1 3.9Å; E107-R190 PolarHBondContact OE2-NH1 3.34Å; E107-R190 IonicContact OE2-NH2 2.87Å; E107-R190 PolarHBondContact OE2-NH2 3.37Å; R190-N192 VanDerWaalsContact C-N 3.33Å; R190-N192 PolarHBondContact O-N 3.47Å; R190-A193 PolarHBondContact O-N 3.26Å; R190-I194 HydrophobicContact CG-CD1 4.08Å; R190-I194 WeakPolarHBondContact O-CG1 3.4Å; R190-I194 PolarHBondContact O-N 3.2Å; R190-L335 PolarHBondContact NH1-O 3.18Å; R190-N336 PolarHBondContact N-OD1 2.88Å |
| 191 | G | 95.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -34.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T189 V195 N336 | T189-G191 VanDerWaalsContact C-N 3.29Å; T189-G191 PolarHBondContact O-N 3.23Å; G191-V195 WeakPolarHBondContact O-CB 3.45Å; G191-V195 VanDerWaalsContact O-CG2 3.24Å; G191-V195 WeakPolarHBondContact O-CG2 3.5Å; G191-V195 PolarHBondContact O-N 2.76Å; G191-N336 PolarHBondContact N-OD1 3.2Å |
| 192 | N | 96.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.6 | -35.3 | 174.4 | -83 | -49.4 | 0 | 0 | 0 | 112 | L188 T189 R190 K196 L332 | L188-N192 HydrophobicContact CD1-CB 3.6Å; L188-N192 HydrophobicContact CG-CB 4.16Å; T189-N192 WeakPolarHBondContact O-CA 3.45Å; T189-N192 WeakPolarHBondContact O-CB 3.4Å; T189-N192 PolarHBondContact O-N 2.87Å; T189-N192 PolarHBondContact OG1-ND2 3.31Å; R190-N192 VanDerWaalsContact C-N 3.33Å; R190-N192 PolarHBondContact O-N 3.47Å; N192-K196 WeakPolarHBondContact O-CB 3.46Å; N192-K196 WeakPolarHBondContact O-CG 3.43Å; N192-K196 PolarHBondContact O-N 3.11Å; N192-L332 HydrophobicContact CB-CD1 4.19Å; N192-L332 VanDerWaalsContact N-CD1 3.27Å; N192-L332 WeakPolarHBondContact OD1-CD1 3.43Å |
| 193 | A | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L135 Q138 A139 L188 T189 R190 K196 Y197 | L135-A193 HydrophobicContact CD2-CB 4.43Å; Q138-A193 HydrophobicContact CB-CB 4.2Å; Q138-A193 HydrophobicContact CG-CB 3.96Å; A139-A193 HydrophobicContact CB-CB 4.04Å; L188-A193 HydrophobicContact CD2-CB 4.03Å; L188-A193 HydrophobicContact CG-CB 4.35Å; T189-A193 PolarHBondContact O-N 3.18Å; R190-A193 PolarHBondContact O-N 3.26Å; A193-K196 PolarHBondContact O-N 2.96Å; A193-Y197 WeakPolarHBondContact O-CB 3.33Å; A193-Y197 PolarHBondContact O-N 2.83Å |
| 194 | I | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.2 | -67.5 | 170.7 | 0 | 0 | 0 | 111.5 | F110 A139 R190 Y197 L198 L335 | F110-I194 HydrophobicContact CB-CG2 3.89Å; F110-I194 HydrophobicContact CD1-CD1 4.35Å; F110-I194 HydrophobicContact CD1-CG1 4.13Å; F110-I194 HydrophobicContact CD1-CG2 4.5Å; F110-I194 HydrophobicContact CD2-CG1 4.35Å; F110-I194 HydrophobicContact CD2-CG2 4.23Å; F110-I194 HydrophobicContact CE1-CD1 4.45Å; F110-I194 HydrophobicContact CE1-CG1 4.13Å; F110-I194 HydrophobicContact CE2-CG1 4.35Å; F110-I194 HydrophobicContact CG-CG1 4.25Å; F110-I194 HydrophobicContact CG-CG2 3.96Å; F110-I194 HydrophobicContact CZ-CG1 4.24Å; A139-I194 HydrophobicContact CB-CG1 3.84Å; R190-I194 HydrophobicContact CG-CD1 4.08Å; R190-I194 WeakPolarHBondContact O-CG1 3.4Å; R190-I194 PolarHBondContact O-N 3.2Å; I194-Y197 WeakPolarHBondContact O-CB 3.45Å; I194-Y197 PolarHBondContact O-N 3.44Å; I194-L198 HydrophobicContact CG2-CD1 4.06Å; I194-L198 WeakPolarHBondContact O-CG 3.5Å; I194-L198 PolarHBondContact O-N 3.14Å; I194-L335 HydrophobicContact CB-CD1 4.18Å; I194-L335 HydrophobicContact CD1-CD2 4.25Å; I194-L335 HydrophobicContact CG2-CD1 3.83Å; I194-L335 HydrophobicContact CG2-CD2 4.2Å |
| 195 | V | 96.3 | Very high | 96 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 177.3 | 162.7 | 0 | 0 | 0 | 0 | 111.1 | F97 G191 Y197 L198 T199 V331 L335 | F97-V195 HydrophobicContact CE2-CG2 4.2Å; F97-V195 HydrophobicContact CZ-CG1 4.08Å; F97-V195 HydrophobicContact CZ-CG2 4.45Å; G191-V195 WeakPolarHBondContact O-CB 3.45Å; G191-V195 VanDerWaalsContact O-CG2 3.24Å; G191-V195 WeakPolarHBondContact O-CG2 3.5Å; G191-V195 PolarHBondContact O-N 2.76Å; V195-Y197 VanDerWaalsContact C-N 3.33Å; V195-Y197 PolarHBondContact O-N 3.45Å; V195-L198 PolarHBondContact O-N 2.69Å; V195-T199 WeakPolarHBondContact O-CB 3.33Å; V195-T199 PolarHBondContact O-N 2.97Å; V195-T199 PolarHBondContact O-OG1 3Å; V195-T199 VanDerWaalsContact O-OG1 3.07Å; V195-V331 HydrophobicContact CG2-CG1 4.48Å; V195-L335 HydrophobicContact CG2-CD1 4Å |
| 196 | K | 97.1 | Very high | 95.9 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 175.6 | -78 | 179.7 | 178.2 | -179.6 | 0 | 112.1 | L135 L188 N192 A193 L198 T199 I200 | L135-K196 HydrophobicContact CD1-CB 3.87Å; L135-K196 HydrophobicContact CD2-CB 4.02Å; L135-K196 HydrophobicContact CD2-CD 4.09Å; L188-K196 HydrophobicContact CD1-CD 4.25Å; L188-K196 HydrophobicContact CD2-CD 4.04Å; N192-K196 WeakPolarHBondContact O-CB 3.46Å; N192-K196 WeakPolarHBondContact O-CG 3.43Å; N192-K196 PolarHBondContact O-N 3.11Å; A193-K196 PolarHBondContact O-N 2.96Å; K196-L198 PolarHBondContact O-N 2.71Å; K196-T199 PolarHBondContact O-N 3.1Å; K196-I200 WeakPolarHBondContact O-CG1 3.32Å; K196-I200 PolarHBondContact O-N 2.83Å; K196-I200 VanDerWaalsContact O-N 3.13Å |
| 197 | Y | 98.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -49.5 | 178.6 | -171.6 | -72.8 | 0 | 0 | 0 | 110.9 | F110 V113 R114 L117 L132 L135 A136 A193 I194 V195 I200 V201 | F110-Y197 AromaticContact CD2-CD1 3.68Å; F110-Y197 HydrophobicContact CD2-CD1 3.68Å; F110-Y197 HydrophobicContact CD2-CD2 4.46Å; F110-Y197 HydrophobicContact CD2-CE1 4.18Å; F110-Y197 AromaticContact CD2-CG 3.87Å; F110-Y197 HydrophobicContact CD2-CG 3.87Å; F110-Y197 AromaticContact CE2-CD1 3.91Å; F110-Y197 HydrophobicContact CE2-CD1 3.91Å; F110-Y197 AromaticContact CE2-CD2 3.84Å; F110-Y197 HydrophobicContact CE2-CD2 3.84Å; F110-Y197 HydrophobicContact CE2-CE1 4.3Å; F110-Y197 HydrophobicContact CE2-CE2 4.23Å; F110-Y197 AromaticContact CE2-CG 3.69Å; F110-Y197 HydrophobicContact CE2-CG 3.69Å; V113-Y197 HydrophobicContact CG2-CD1 4.27Å; V113-Y197 HydrophobicContact CG2-CE1 3.77Å; R114-Y197 WeakPolarHBondContact CA-OH 3.32Å; L117-Y197 WeakPolarHBondContact CD2-OH 3.28Å; L132-Y197 HydrophobicContact CB-CD2 4.11Å; L132-Y197 HydrophobicContact CB-CE2 3.64Å; L132-Y197 HydrophobicContact CD2-CD1 4.07Å; L132-Y197 HydrophobicContact CD2-CD2 3.63Å; L132-Y197 HydrophobicContact CD2-CE1 4.23Å; L132-Y197 HydrophobicContact CD2-CE2 3.83Å; L132-Y197 HydrophobicContact CD2-CG 3.74Å; L132-Y197 HydrophobicContact CG-CD2 4.48Å; L132-Y197 HydrophobicContact CG-CE2 4.28Å; L132-Y197 WeakPolarHBondContact O-CD2 3.43Å; L132-Y197 WeakPolarHBondContact O-CE2 3.44Å; L135-Y197 HydrophobicContact CB-CD2 4.04Å; A136-Y197 HydrophobicContact CB-CD2 4.38Å; A136-Y197 HydrophobicContact CB-CE2 4.01Å; A193-Y197 WeakPolarHBondContact O-CB 3.33Å; A193-Y197 PolarHBondContact O-N 2.83Å; I194-Y197 WeakPolarHBondContact O-CB 3.45Å; I194-Y197 PolarHBondContact O-N 3.44Å; V195-Y197 VanDerWaalsContact C-N 3.33Å; V195-Y197 PolarHBondContact O-N 3.45Å; Y197-I200 PolarHBondContact O-N 3.17Å; Y197-V201 HydrophobicContact CD1-CG2 4Å; Y197-V201 HydrophobicContact CE1-CG2 3.71Å; Y197-V201 WeakPolarHBondContact O-CG2 3.25Å; Y197-V201 PolarHBondContact O-N 3.46Å |
| 198 | L | 97.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 179.2 | -70.5 | 173.4 | 0 | 0 | 0 | 112.7 | F97 V106 L109 F110 V113 I194 V195 K196 I200 V201 E202 | F97-L198 HydrophobicContact CB-CD1 4.02Å; F97-L198 HydrophobicContact CD1-CB 3.57Å; F97-L198 HydrophobicContact CD1-CD1 4.34Å; F97-L198 HydrophobicContact CD2-CD1 4.15Å; F97-L198 HydrophobicContact CE1-CB 3.93Å; F97-L198 HydrophobicContact CG-CB 4.01Å; F97-L198 HydrophobicContact CG-CD1 3.9Å; V106-L198 HydrophobicContact CG1-CD1 3.47Å; V106-L198 VanDerWaalsContact CG1-CD1 3.47Å; L109-L198 HydrophobicContact CD2-CD1 4.43Å; L109-L198 HydrophobicContact CD2-CD2 3.9Å; L109-L198 HydrophobicContact CG-CD2 4.01Å; F110-L198 HydrophobicContact CB-CD1 4.29Å; F110-L198 HydrophobicContact CB-CD2 4.23Å; F110-L198 HydrophobicContact CB-CG 4.34Å; V113-L198 HydrophobicContact CG2-CD2 3.81Å; I194-L198 HydrophobicContact CG2-CD1 4.06Å; I194-L198 WeakPolarHBondContact O-CG 3.5Å; I194-L198 PolarHBondContact O-N 3.14Å; V195-L198 PolarHBondContact O-N 2.69Å; K196-L198 PolarHBondContact O-N 2.71Å; L198-I200 PolarHBondContact O-N 3.14Å; L198-V201 PolarHBondContact O-N 3.44Å; L198-E202 WeakPolarHBondContact O-CB 3.38Å; L198-E202 WeakPolarHBondContact O-CG 3.25Å; L198-E202 PolarHBondContact O-N 3.04Å |
| 199 | T | 96.5 | Very high | 95.7 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -26.5 | 176.8 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | F97 V195 K196 E202 R203 | F97-T199 WeakPolarHBondContact CE1-OG1 3.5Å; V195-T199 WeakPolarHBondContact O-CB 3.33Å; V195-T199 PolarHBondContact O-N 2.97Å; V195-T199 PolarHBondContact O-OG1 3Å; V195-T199 VanDerWaalsContact O-OG1 3.07Å; K196-T199 PolarHBondContact O-N 3.1Å; T199-E202 WeakPolarHBondContact CA-OE1 3.41Å; T199-R203 VanDerWaalsContact CG2-NH2 3.3Å; T199-R203 WeakPolarHBondContact O-CD 3.23Å; T199-R203 WeakPolarHBondContact O-CG 3.42Å; T199-R203 PolarHBondContact O-NE 2.91Å |
| 200 | I | 97.5 | Very high | 95.7 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -80.1 | -52.1 | 171.6 | -67.1 | 166.2 | 0 | 0 | 0 | 109.7 | T128 L132 L135 K196 Y197 L198 E202 R203 | T128-I200 HydrophobicContact CG2-CG2 3.8Å; L132-I200 HydrophobicContact CD1-CG2 4.32Å; L132-I200 HydrophobicContact CD2-CB 4.03Å; L132-I200 HydrophobicContact CD2-CD1 4.36Å; L132-I200 HydrophobicContact CD2-CG2 3.94Å; L132-I200 HydrophobicContact CG-CG2 4.25Å; L135-I200 HydrophobicContact CD1-CD1 4Å; K196-I200 WeakPolarHBondContact O-CG1 3.32Å; K196-I200 PolarHBondContact O-N 2.83Å; K196-I200 VanDerWaalsContact O-N 3.13Å; Y197-I200 PolarHBondContact O-N 3.17Å; L198-I200 PolarHBondContact O-N 3.14Å; I200-E202 PolarHBondContact O-N 3.48Å; I200-R203 WeakPolarHBondContact O-CB 3.3Å; I200-R203 PolarHBondContact O-N 2.93Å |
| 201 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | -173 | 170.3 | 0 | 0 | 0 | 0 | 113.5 | V113 I122 L132 Y197 L198 R203 L204 Y207 | V113-V201 HydrophobicContact CB-CG1 3.93Å; V113-V201 HydrophobicContact CG1-CG1 4.12Å; V113-V201 HydrophobicContact CG2-CG1 4.18Å; I122-V201 HydrophobicContact CD1-CG1 4.05Å; L132-V201 HydrophobicContact CD1-CG2 3.56Å; L132-V201 HydrophobicContact CD2-CG2 3.73Å; L132-V201 HydrophobicContact CG-CG2 4.33Å; Y197-V201 HydrophobicContact CD1-CG2 4Å; Y197-V201 HydrophobicContact CE1-CG2 3.71Å; Y197-V201 WeakPolarHBondContact O-CG2 3.25Å; Y197-V201 PolarHBondContact O-N 3.46Å; L198-V201 PolarHBondContact O-N 3.44Å; V201-R203 PolarHBondContact O-N 3.16Å; V201-L204 HydrophobicContact CB-CD1 4.46Å; V201-L204 HydrophobicContact CG1-CD1 4.41Å; V201-L204 HydrophobicContact CG2-CD1 4.29Å; V201-L204 PolarHBondContact O-N 2.93Å; V201-L204 VanDerWaalsContact O-N 3.12Å; V201-Y207 HydrophobicContact CG1-CD2 3.8Å; V201-Y207 HydrophobicContact CG1-CE2 4.41Å; V201-Y207 WeakPolarHBondContact O-CB 3.35Å |
| 202 | E | 95.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.7 | 178.5 | 71.5 | -170.9 | 176.1 | 0 | 0 | 113.4 | T96 F97 L198 T199 I200 Y207 | T96-E202 WeakPolarHBondContact CA-OE2 3.39Å; T96-E202 WeakPolarHBondContact CB-OE2 3.13Å; T96-E202 PolarHBondContact OG1-OE2 3.32Å; F97-E202 VanDerWaalsContact CD1-OE2 3.26Å; F97-E202 WeakPolarHBondContact CD1-OE2 3.41Å; F97-E202 PolarHBondContact N-OE2 3.41Å; L198-E202 WeakPolarHBondContact O-CB 3.38Å; L198-E202 WeakPolarHBondContact O-CG 3.25Å; L198-E202 PolarHBondContact O-N 3.04Å; T199-E202 WeakPolarHBondContact CA-OE1 3.41Å; I200-E202 PolarHBondContact O-N 3.48Å; E202-Y207 HydrophobicContact CB-CE1 4.18Å |
| 203 | R | 94.8 | Very high | 95.7 | Very high | 184 Ų | 184 | 35.3 Ų | 35.3 | 69% | 0.694 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -17.3 | -178.8 | -54.7 | 178.1 | -171.4 | -164.9 | -2.2 | 114 | T199 I200 V201 | T199-R203 VanDerWaalsContact CG2-NH2 3.3Å; T199-R203 WeakPolarHBondContact O-CD 3.23Å; T199-R203 WeakPolarHBondContact O-CG 3.42Å; T199-R203 PolarHBondContact O-NE 2.91Å; I200-R203 WeakPolarHBondContact O-CB 3.3Å; I200-R203 PolarHBondContact O-N 2.93Å; V201-R203 PolarHBondContact O-N 3.16Å |
| 204 | L | 94.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -65.8 | 144.2 | -178 | -61.9 | 173.2 | 0 | 0 | 0 | 110.7 | I122 A124 V201 T206 Y207 K229 | I122-L204 HydrophobicContact CG2-CB 4.49Å; I122-L204 HydrophobicContact CG2-CD1 3.51Å; A124-L204 HydrophobicContact CB-CD1 4.01Å; A124-L204 HydrophobicContact CB-CD2 3.85Å; V201-L204 HydrophobicContact CB-CD1 4.46Å; V201-L204 HydrophobicContact CG1-CD1 4.41Å; V201-L204 HydrophobicContact CG2-CD1 4.29Å; V201-L204 PolarHBondContact O-N 2.93Å; V201-L204 VanDerWaalsContact O-N 3.12Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-T206 PolarHBondContact O-N 3.22Å; L204-Y207 VanDerWaalsContact O-CB 3.31Å; L204-Y207 WeakPolarHBondContact O-CB 3.33Å; L204-Y207 PolarHBondContact O-N 3.13Å; L204-K229 PolarHBondContact O-NZ 3.19Å |
| 205 | E | 91.9 | Very high | 95.6 | Very high | 137 Ų | 137 | 40.2 Ų | 40.2 | 64% | 0.64 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -40.8 | -174.8 | -59.6 | -155.1 | 149.3 | 0 | 0 | 112.2 | Y207 K229 | E205-Y207 VanDerWaalsContact C-N 3.29Å; E205-Y207 PolarHBondContact O-N 3.14Å; E205-K229 PolarHBondContact O-NZ 2.97Å |
| 206 | T | 93.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.2 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | R123 L204 G208 M209 F211 R239 | R123-T206 HydrophobicContact CB-CG2 4.15Å; R123-T206 HydrophobicContact CG-CG2 4.31Å; R123-T206 PolarHBondContact N-OG1 3.32Å; R123-T206 PolarHBondContact O-OG1 2.9Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-T206 PolarHBondContact O-N 3.22Å; T206-G208 PolarHBondContact O-N 3.35Å; T206-M209 VanDerWaalsContact O-CB 3.24Å; T206-M209 WeakPolarHBondContact O-CB 3.32Å; T206-M209 PolarHBondContact O-N 3.08Å; T206-F211 HydrophobicContact CG2-CZ 4.18Å; T206-R239 VanDerWaalsContact CG2-O 3.22Å; T206-R239 WeakPolarHBondContact CG2-O 3.48Å |
| 207 | Y | 95.2 | Very high | 95 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 126.7 | 177.4 | 166.6 | -104.9 | 0 | 0 | 0 | 111.4 | F93 V94 V113 I122 V201 E202 L204 E205 M209 | F93-Y207 HydrophobicContact CD1-CD2 4.39Å; F93-Y207 AromaticContact CD1-CE2 3.72Å; F93-Y207 HydrophobicContact CD1-CE2 3.72Å; F93-Y207 AromaticContact CD1-CZ 3.91Å; F93-Y207 HydrophobicContact CE1-CE2 4.28Å; V94-Y207 VanDerWaalsContact O-CE1 3.26Å; V94-Y207 WeakPolarHBondContact O-CE1 3.36Å; V94-Y207 PolarHBondContact O-OH 2.95Å; V113-Y207 HydrophobicContact CG1-CD2 4.19Å; V113-Y207 HydrophobicContact CG1-CE2 3.9Å; I122-Y207 HydrophobicContact CD1-CD2 4.45Å; V201-Y207 HydrophobicContact CG1-CD2 3.8Å; V201-Y207 HydrophobicContact CG1-CE2 4.41Å; V201-Y207 WeakPolarHBondContact O-CB 3.35Å; E202-Y207 HydrophobicContact CB-CE1 4.18Å; L204-Y207 VanDerWaalsContact O-CB 3.31Å; L204-Y207 WeakPolarHBondContact O-CB 3.33Å; L204-Y207 PolarHBondContact O-N 3.13Å; E205-Y207 VanDerWaalsContact C-N 3.29Å; E205-Y207 PolarHBondContact O-N 3.14Å; Y207-M209 VanDerWaalsContact C-N 3.3Å; Y207-M209 PolarHBondContact O-N 3.27Å |
| 208 | G | 94.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 18.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F93 T206 S227 | F93-G208 VanDerWaalsContact CD2-CA 3.49Å; T206-G208 PolarHBondContact O-N 3.35Å; G208-S227 WeakPolarHBondContact O-CB 3.45Å |
| 209 | M | 94.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | trans | -87.5 | 118 | 179.3 | -157.7 | 71.6 | 70 | 0 | 0 | 111.8 | T206 Y207 F211 G225 F232 F234 | T206-M209 VanDerWaalsContact O-CB 3.24Å; T206-M209 WeakPolarHBondContact O-CB 3.32Å; T206-M209 PolarHBondContact O-N 3.08Å; Y207-M209 VanDerWaalsContact C-N 3.3Å; Y207-M209 PolarHBondContact O-N 3.27Å; M209-F211 HydrophobicContact CB-CD2 4.28Å; M209-F211 HydrophobicContact CB-CE2 3.77Å; M209-F211 HydrophobicContact CB-CZ 4.11Å; M209-F211 HydrophobicContact CG-CD1 4.44Å; M209-F211 HydrophobicContact CG-CD2 4.2Å; M209-F211 HydrophobicContact CG-CE1 4.09Å; M209-F211 HydrophobicContact CG-CE2 3.83Å; M209-F211 HydrophobicContact CG-CZ 3.78Å; M209-G225 VanDerWaalsContact SD-CA 3.57Å; M209-F232 HydrophobicContact CE-CB 4.35Å; M209-F232 HydrophobicContact CE-CD1 4.17Å; M209-F232 HydrophobicContact CE-CD2 3.6Å; M209-F232 HydrophobicContact CE-CE1 4.4Å; M209-F232 HydrophobicContact CE-CE2 3.89Å; M209-F232 HydrophobicContact CE-CG 3.78Å; M209-F232 HydrophobicContact CE-CZ 4.29Å; M209-F232 HydrophobicContact SD-CB 4.32Å; M209-F232 HydrophobicContact SD-CD2 3.67Å; M209-F232 HydrophobicContact SD-CE2 4.29Å; M209-F232 HydrophobicContact SD-CG 4.13Å; M209-F234 HydrophobicContact CE-CE2 4.34Å; M209-F234 HydrophobicContact CE-CZ 4.26Å; M209-F234 HydrophobicContact CG-CE2 4.39Å; M209-F234 HydrophobicContact SD-CE2 4.46Å | ||
| 210 | H | 95.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.5 | 168.8 | -58.8 | -82.1 | 0 | 0 | 0 | 108.8 | W61 R91 Y212 G225 V226 L302 | W61-H210 AromaticContact CZ2-CE1 3.54Å; W61-H210 AromaticContact CZ2-ND1 3.91Å; W61-H210 AromaticContact NE1-ND1 3.99Å; R91-H210 PolarHBondContact O-NE2 3.42Å; H210-Y212 HydrophobicContact CB-CE2 4.08Å; H210-G225 CarbonylContact O-C 3.46Å; H210-G225 WeakPolarHBondContact O-CA 3.49Å; H210-V226 PolarHBondContact CD2-O 3.44Å; H210-V226 PolarHBondContact N-O 3.03Å; H210-V226 PolarHBondContact O-N 3.01Å; H210-L302 HydrophobicContact CB-CD2 3.68Å |
| 211 | F | 94.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 57 Ų | 57 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.6 | -177.8 | -69.7 | -88.5 | 0 | 0 | 0 | 112.5 | V121 T206 M209 L223 L224 F234 R239 | V121-F211 HydrophobicContact CG1-CD2 3.98Å; V121-F211 HydrophobicContact CG1-CE2 4.21Å; T206-F211 HydrophobicContact CG2-CZ 4.18Å; M209-F211 HydrophobicContact CB-CD2 4.28Å; M209-F211 HydrophobicContact CB-CE2 3.77Å; M209-F211 HydrophobicContact CB-CZ 4.11Å; M209-F211 HydrophobicContact CG-CD1 4.44Å; M209-F211 HydrophobicContact CG-CD2 4.2Å; M209-F211 HydrophobicContact CG-CE1 4.09Å; M209-F211 HydrophobicContact CG-CE2 3.83Å; M209-F211 HydrophobicContact CG-CZ 3.78Å; F211-L223 HydrophobicContact CD1-CB 4.43Å; F211-L224 CarbonylContact C-O 3.57Å; F211-L224 WeakPolarHBondContact CA-O 3.32Å; F211-F234 HydrophobicContact CD1-CD2 4.25Å; F211-F234 HydrophobicContact CD1-CE2 4.46Å; F211-F234 AromaticContact CE1-CD2 3.66Å; F211-F234 HydrophobicContact CE1-CD2 3.66Å; F211-F234 AromaticContact CE1-CE2 3.64Å; F211-F234 HydrophobicContact CE1-CE2 3.64Å; F211-F234 HydrophobicContact CE1-CG 4.12Å; F211-F234 HydrophobicContact CE1-CZ 4.1Å; F211-F234 HydrophobicContact CZ-CE2 4.3Å; F211-F234 HydrophobicContact CZ-CZ 4.41Å; F211-R239 HydrophobicContact CE1-CB 4.32Å; F211-R239 HydrophobicContact CE1-CG 4.41Å; F211-R239 HydrophobicContact CZ-CB 4.32Å |
| 212 | Y | 95.5 | Very high | 94 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.1 | 175.9 | -71.1 | -80.3 | 0 | 0 | 0 | 111.7 | L59 H210 L223 L224 L295 N298 L299 L302 | L59-Y212 WeakPolarHBondContact O-CE1 3.38Å; L59-Y212 PolarHBondContact O-OH 3.36Å; H210-Y212 HydrophobicContact CB-CE2 4.08Å; Y212-L223 WeakPolarHBondContact O-CA 3.39Å; Y212-L224 PolarHBondContact N-O 3.14Å; Y212-L224 PolarHBondContact O-N 3.21Å; Y212-L295 HydrophobicContact CD1-CD1 3.82Å; Y212-L295 HydrophobicContact CE1-CD1 4.24Å; Y212-N298 WeakPolarHBondContact CE1-ND2 3.4Å; Y212-N298 PolarHBondContact OH-ND2 3.19Å; Y212-L299 HydrophobicContact CD2-CD1 3.65Å; Y212-L299 HydrophobicContact CE2-CD1 4.27Å; Y212-L299 HydrophobicContact CG-CD1 4Å; Y212-L302 HydrophobicContact CE2-CD2 3.72Å |
| 213 | E | 95.2 | Very high | 94 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.4 | 176.8 | -74.3 | 175.8 | -172.1 | 0 | 0 | 110.7 | L223 R239 | E213-L223 HydrophobicContact CB-CD2 4.4Å; E213-L223 HydrophobicContact CG-CD2 3.42Å; E213-L223 VanDerWaalsContact CG-CD2 3.42Å; E213-R239 IonicContact OE1-NH2 3.57Å; E213-R239 PolarHBondContact OE1-NH2 3.26Å |
| 214 | V | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 175.9 | -177.6 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | C222 L224 Y288 L299 | V214-C222 PolarHBondContact N-O 3.4Å; V214-C222 PolarHBondContact O-N 3Å; V214-L224 HydrophobicContact CG1-CD1 4.35Å; V214-L224 HydrophobicContact CG2-CB 4.45Å; V214-L224 HydrophobicContact CG2-CD1 3.88Å; V214-L224 HydrophobicContact CG2-CG 3.8Å; V214-Y288 HydrophobicContact CG2-CD1 3.96Å; V214-Y288 HydrophobicContact CG2-CG 4.38Å; V214-L299 HydrophobicContact CG1-CD2 4.24Å |
| 215 | R | 96.5 | Very high | 94.2 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148 | 167.9 | -75.6 | 172.9 | -87.4 | 178.9 | -8 | 111 | G219 S220 Q221 Y288 I289 D291 | R215-G219 VanDerWaalsContact CD-O 3.22Å; R215-G219 WeakPolarHBondContact CD-O 3.41Å; R215-G219 WeakPolarHBondContact CG-O 3.37Å; R215-S220 CarbonylContact C-O 3.47Å; R215-S220 VanDerWaalsContact CA-O 3.23Å; R215-S220 WeakPolarHBondContact CA-O 3.46Å; R215-Q221 HydrophobicContact CG-CG 4.12Å; R215-Y288 CarbonylContact O-C 3.55Å; R215-Y288 VanDerWaalsContact O-CA 3.27Å; R215-Y288 WeakPolarHBondContact O-CA 3.48Å; R215-I289 HydrophobicContact CB-CB 4.36Å; R215-I289 PolarHBondContact N-O 3.38Å; R215-I289 PolarHBondContact O-N 2.81Å; R215-D291 IonicContact CZ-OD1 3.14Å; R215-D291 IonicContact NE-OD1 2.7Å; R215-D291 IonicContact NH2-OD1 3.19Å; R215-D291 PolarHBondContact NH2-OD1 2.92Å |
| 216 | D | 93.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | trans | -79.2 | -175.5 | 173.3 | 85.4 | -34.1 | 0 | 0 | 0 | 111.2 | S218 G219 S220 | D216-S218 VanDerWaalsContact CG-N 3.27Å; D216-S218 PolarHBondContact O-N 3.44Å; D216-S218 VanDerWaalsContact OD1-CA 3.28Å; D216-S218 WeakPolarHBondContact OD1-CA 3.37Å; D216-S218 WeakPolarHBondContact OD1-CB 3.48Å; D216-S218 PolarHBondContact OD1-N 2.87Å; D216-S218 PolarHBondContact OD1-OG 3.08Å; D216-S218 VanDerWaalsContact OD2-CB 3.28Å; D216-S218 WeakPolarHBondContact OD2-CB 3.45Å; D216-S218 PolarHBondContact OD2-N 3.38Å; D216-S218 PolarHBondContact OD2-OG 3.35Å; D216-G219 PolarHBondContact O-N 2.92Å; D216-G219 VanDerWaalsContact O-N 3.08Å; D216-G219 PolarHBondContact OD1-N 2.86Å; D216-S220 PolarHBondContact N-O 2.93Å; D216-S220 WeakPolarHBondContact OD1-CB 3.27Å; D216-S220 PolarHBondContact OD1-N 3.47Å | ||
| 217 | K | 88.8 | Confident | 94.5 | Very high | 184 Ų | 184 | 39.3 Ų | 39.3 | 80% | 0.8 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.5 | 175.2 | 79.9 | 167.9 | -167.6 | 174.8 | 0 | 114.2 | G219 | K217-G219 VanDerWaalsContact C-N 3.32Š|
| 218 | S | 90.5 | Very high | 94.3 | Very high | 86 Ų | 86 | 40 Ų | 40 | 60% | 0.601 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -12.6 | 178.1 | -36.5 | 0 | 0 | 0 | 0 | 111.7 | D216 S220 | D216-S218 VanDerWaalsContact CG-N 3.27Å; D216-S218 PolarHBondContact O-N 3.44Å; D216-S218 VanDerWaalsContact OD1-CA 3.28Å; D216-S218 WeakPolarHBondContact OD1-CA 3.37Å; D216-S218 WeakPolarHBondContact OD1-CB 3.48Å; D216-S218 PolarHBondContact OD1-N 2.87Å; D216-S218 PolarHBondContact OD1-OG 3.08Å; D216-S218 VanDerWaalsContact OD2-CB 3.28Å; D216-S218 WeakPolarHBondContact OD2-CB 3.45Å; D216-S218 PolarHBondContact OD2-N 3.38Å; D216-S218 PolarHBondContact OD2-OG 3.35Å; S218-S220 VanDerWaalsContact C-N 3.31Å |
| 219 | G | 90.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 85.2 | 1.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R215 D216 K217 | R215-G219 VanDerWaalsContact CD-O 3.22Å; R215-G219 WeakPolarHBondContact CD-O 3.41Å; R215-G219 WeakPolarHBondContact CG-O 3.37Å; D216-G219 PolarHBondContact O-N 2.92Å; D216-G219 VanDerWaalsContact O-N 3.08Å; D216-G219 PolarHBondContact OD1-N 2.86Å; K217-G219 VanDerWaalsContact C-N 3.32Å |
| 220 | S | 94.1 | Very high | 94.2 | Very high | 70 Ų | 70 | 44 Ų | 44 | 49% | 0.49 | 23% | 0.233 | S | C | . | . | trans | -73 | 135.1 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | R215 D216 S218 C222 | R215-S220 CarbonylContact C-O 3.47Å; R215-S220 VanDerWaalsContact CA-O 3.23Å; R215-S220 WeakPolarHBondContact CA-O 3.46Å; D216-S220 PolarHBondContact N-O 2.93Å; D216-S220 WeakPolarHBondContact OD1-CB 3.27Å; D216-S220 PolarHBondContact OD1-N 3.47Å; S218-S220 VanDerWaalsContact C-N 3.31Å; S220-C222 PolarHBondContact O-N 2.63Å | ||
| 221 | Q | 95.1 | Very high | 94.3 | Very high | 146 Ų | 146 | 43.1 Ų | 43.1 | 68% | 0.682 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 132.8 | 175 | -72.6 | 173.3 | -36 | 0 | 0 | 110.3 | R215 | R215-Q221 HydrophobicContact CG-CG 4.12Å |
| 222 | C | 95.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 166.9 | 178.6 | 56 | 0 | 0 | 0 | 0 | 109.8 | V214 S220 F234 | V214-C222 PolarHBondContact N-O 3.4Å; V214-C222 PolarHBondContact O-N 3Å; S220-C222 PolarHBondContact O-N 2.63Å; C222-F234 WeakPolarHBondContact CB-O 3.2Å |
| 223 | L | 95.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.4 | -176.9 | -78.5 | 165.4 | 0 | 0 | 0 | 109.8 | F211 Y212 E213 F234 R239 | F211-L223 HydrophobicContact CD1-CB 4.43Å; Y212-L223 WeakPolarHBondContact O-CA 3.39Å; E213-L223 HydrophobicContact CB-CD2 4.4Å; E213-L223 HydrophobicContact CG-CD2 3.42Å; E213-L223 VanDerWaalsContact CG-CD2 3.42Å; L223-F234 HydrophobicContact CB-CB 3.86Å; L223-F234 PolarHBondContact N-O 2.71Å; L223-F234 PolarHBondContact O-N 3.05Å; L223-R239 HydrophobicContact CD1-CG 3.56Å |
| 224 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.4 | 169.7 | -78.7 | 177.6 | 0 | 0 | 0 | 109.8 | F211 Y212 V214 I231 F232 F261 Y288 L299 | F211-L224 CarbonylContact C-O 3.57Å; F211-L224 WeakPolarHBondContact CA-O 3.32Å; Y212-L224 PolarHBondContact N-O 3.14Å; Y212-L224 PolarHBondContact O-N 3.21Å; V214-L224 HydrophobicContact CG1-CD1 4.35Å; V214-L224 HydrophobicContact CG2-CB 4.45Å; V214-L224 HydrophobicContact CG2-CD1 3.88Å; V214-L224 HydrophobicContact CG2-CG 3.8Å; L224-I231 HydrophobicContact CD2-CG2 4.19Å; L224-F232 CarbonylContact C-O 3.59Å; L224-F232 WeakPolarHBondContact CA-O 3.42Å; L224-F232 WeakPolarHBondContact CD2-O 3.26Å; L224-F261 HydrophobicContact CD1-CD1 4.01Å; L224-F261 HydrophobicContact CD1-CE1 4.2Å; L224-Y288 HydrophobicContact CD1-CD1 4.07Å; L224-Y288 HydrophobicContact CD1-CD2 3.89Å; L224-Y288 HydrophobicContact CD1-CE1 4.5Å; L224-Y288 HydrophobicContact CD1-CE2 4.34Å; L224-Y288 HydrophobicContact CD1-CG 3.74Å; L224-Y288 HydrophobicContact CD2-CD1 4.27Å; L224-Y288 HydrophobicContact CD2-CD2 4.43Å; L224-Y288 HydrophobicContact CD2-CE1 3.89Å; L224-Y288 HydrophobicContact CD2-CE2 4.06Å; L224-Y288 HydrophobicContact CG-CD1 4.23Å; L224-Y288 HydrophobicContact CG-CE1 4.33Å; L224-Y288 HydrophobicContact CG-CG 4.4Å; L224-L299 HydrophobicContact CD1-CD2 3.82Å |
| 225 | G | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M209 H210 I231 F232 | M209-G225 VanDerWaalsContact SD-CA 3.57Å; H210-G225 CarbonylContact O-C 3.46Å; H210-G225 WeakPolarHBondContact O-CA 3.49Å; G225-I231 CarbonylContact O-C 3.58Å; G225-I231 WeakPolarHBondContact O-CA 3.45Å; G225-F232 PolarHBondContact N-O 2.91Å; G225-F232 PolarHBondContact O-N 3Å |
| 226 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.9 | 173.4 | -172.9 | 0 | 0 | 0 | 0 | 109 | H210 W248 L299 A303 Q306 | H210-V226 PolarHBondContact CD2-O 3.44Å; H210-V226 PolarHBondContact N-O 3.03Å; H210-V226 PolarHBondContact O-N 3.01Å; V226-W248 HydrophobicContact CG1-CH2 4.1Å; V226-W248 HydrophobicContact CG1-CZ2 4.18Å; V226-L299 HydrophobicContact CG2-CD1 3.76Å; V226-A303 HydrophobicContact CG1-CB 4.23Å; V226-Q306 HydrophobicContact CG1-CB 4.31Å; V226-Q306 HydrophobicContact CG1-CG 4.03Å |
| 227 | S | 94.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 173.3 | -179.8 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | G208 K229 G230 F232 W248 | G208-S227 WeakPolarHBondContact O-CB 3.45Å; S227-K229 PolarHBondContact O-N 2.8Å; S227-K229 PolarHBondContact OG-N 2.94Å; S227-G230 PolarHBondContact N-O 3.23Å; S227-G230 PolarHBondContact O-N 3.41Å; S227-F232 WeakPolarHBondContact OG-CE2 3.41Å; S227-W248 VanDerWaalsContact O-CZ2 3.32Å; S227-W248 WeakPolarHBondContact O-CZ2 3.48Å; S227-W248 PolarHBondContact O-NE1 2.91Å; S227-W248 VanDerWaalsContact O-NE1 3.12Å |
| 228 | G | 92 | Very high | 93.6 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -14.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W248 | G228-W248 PolarHBondContact O-NE1 3.33Š|
| 229 | K | 92.2 | Very high | 93.5 | Very high | 99 Ų | 99 | 38.9 Ų | 38.9 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -31.9 | 175.7 | -59 | 170.9 | -173.8 | 168 | 0 | 112.9 | L204 E205 S227 F232 | L204-K229 PolarHBondContact O-NZ 3.19Å; E205-K229 PolarHBondContact O-NZ 2.97Å; S227-K229 PolarHBondContact O-N 2.8Å; S227-K229 PolarHBondContact OG-N 2.94Å; K229-F232 HydrophobicContact CB-CE2 4.01Å; K229-F232 HydrophobicContact CB-CZ 3.86Å |
| 230 | G | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -159 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S227 F246 | S227-G230 PolarHBondContact N-O 3.23Å; S227-G230 PolarHBondContact O-N 3.41Å; G230-F246 CarbonylContact C-O 3.59Å; G230-F246 VanDerWaalsContact CA-O 3.25Å; G230-F246 WeakPolarHBondContact CA-O 3.43Å |
| 231 | I | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.6 | 173.2 | -55 | 178.2 | 0 | 0 | 0 | 109.6 | L224 G225 F246 W248 L251 L254 I263 A303 | L224-I231 HydrophobicContact CD2-CG2 4.19Å; G225-I231 CarbonylContact O-C 3.58Å; G225-I231 WeakPolarHBondContact O-CA 3.45Å; I231-F246 PolarHBondContact N-O 3.45Å; I231-F246 WeakPolarHBondContact O-CD2 3.47Å; I231-F246 PolarHBondContact O-N 3.21Å; I231-W248 HydrophobicContact CD1-CH2 4.13Å; I231-W248 HydrophobicContact CD1-CZ3 4.06Å; I231-W248 HydrophobicContact CG1-CH2 3.72Å; I231-W248 HydrophobicContact CG1-CZ2 4.47Å; I231-W248 HydrophobicContact CG1-CZ3 3.96Å; I231-L251 HydrophobicContact CD1-CD1 3.77Å; I231-L251 HydrophobicContact CG1-CD1 4Å; I231-L254 HydrophobicContact CD1-CD1 4.23Å; I231-L254 HydrophobicContact CD1-CD2 3.89Å; I231-I263 HydrophobicContact CD1-CD1 4.09Å; I231-I263 HydrophobicContact CG2-CD1 3.95Å; I231-A303 HydrophobicContact CD1-CB 4.12Å |
| 232 | F | 96.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.7 | -170.9 | -63.8 | -103.7 | 0 | 0 | 0 | 110.4 | M209 L224 G225 S227 K229 F234 A242 R244 | M209-F232 HydrophobicContact CE-CB 4.35Å; M209-F232 HydrophobicContact CE-CD1 4.17Å; M209-F232 HydrophobicContact CE-CD2 3.6Å; M209-F232 HydrophobicContact CE-CE1 4.4Å; M209-F232 HydrophobicContact CE-CE2 3.89Å; M209-F232 HydrophobicContact CE-CG 3.78Å; M209-F232 HydrophobicContact CE-CZ 4.29Å; M209-F232 HydrophobicContact SD-CB 4.32Å; M209-F232 HydrophobicContact SD-CD2 3.67Å; M209-F232 HydrophobicContact SD-CE2 4.29Å; M209-F232 HydrophobicContact SD-CG 4.13Å; L224-F232 CarbonylContact C-O 3.59Å; L224-F232 WeakPolarHBondContact CA-O 3.42Å; L224-F232 WeakPolarHBondContact CD2-O 3.26Å; G225-F232 PolarHBondContact N-O 2.91Å; G225-F232 PolarHBondContact O-N 3Å; S227-F232 WeakPolarHBondContact OG-CE2 3.41Å; K229-F232 HydrophobicContact CB-CE2 4.01Å; K229-F232 HydrophobicContact CB-CZ 3.86Å; F232-F234 HydrophobicContact CB-CD2 4.12Å; F232-F234 HydrophobicContact CB-CE2 3.45Å; F232-F234 VanDerWaalsContact CB-CE2 3.45Å; F232-F234 HydrophobicContact CB-CZ 4.11Å; F232-F234 HydrophobicContact CG-CE2 4.37Å; F232-A242 HydrophobicContact CB-CB 4.41Å; F232-A242 HydrophobicContact CD1-CB 3.95Å; F232-R244 CarbonylContact C-O 3.38Å; F232-R244 WeakPolarHBondContact CA-O 3.25Å |
| 233 | H | 95.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.069 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.2 | 177.8 | -178.1 | 142.1 | 0 | 0 | 0 | 108.8 | A242 I243 R244 Y288 | H233-A242 CarbonylContact O-C 3.42Å; H233-I243 WeakPolarHBondContact O-CB 3.2Å; H233-I243 PolarHBondContact O-N 3.22Å; H233-R244 HydrophobicContact CB-CB 4.06Å; H233-R244 HydrophobicContact CB-CG 4.31Å; H233-R244 PolarHBondContact N-O 2.77Å; H233-R244 PolarHBondContact O-N 3.49Å; H233-Y288 AromaticContact CE1-CE1 3.69Å; H233-Y288 AromaticContact ND1-CE1 3.37Å; H233-Y288 WeakPolarHBondContact ND1-CE1 3.37Å; H233-Y288 AromaticContact ND1-CZ 3.57Å; H233-Y288 PolarHBondContact ND1-OH 3.08Å |
| 234 | F | 95.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 156.3 | -179.1 | -69.2 | -86.7 | 0 | 0 | 0 | 111.1 | M209 F211 C222 L223 F232 D238 N241 A242 | M209-F234 HydrophobicContact CE-CE2 4.34Å; M209-F234 HydrophobicContact CE-CZ 4.26Å; M209-F234 HydrophobicContact CG-CE2 4.39Å; M209-F234 HydrophobicContact SD-CE2 4.46Å; F211-F234 HydrophobicContact CD1-CD2 4.25Å; F211-F234 HydrophobicContact CD1-CE2 4.46Å; F211-F234 AromaticContact CE1-CD2 3.66Å; F211-F234 HydrophobicContact CE1-CD2 3.66Å; F211-F234 AromaticContact CE1-CE2 3.64Å; F211-F234 HydrophobicContact CE1-CE2 3.64Å; F211-F234 HydrophobicContact CE1-CG 4.12Å; F211-F234 HydrophobicContact CE1-CZ 4.1Å; F211-F234 HydrophobicContact CZ-CE2 4.3Å; F211-F234 HydrophobicContact CZ-CZ 4.41Å; C222-F234 WeakPolarHBondContact CB-O 3.2Å; L223-F234 HydrophobicContact CB-CB 3.86Å; L223-F234 PolarHBondContact N-O 2.71Å; L223-F234 PolarHBondContact O-N 3.05Å; F232-F234 HydrophobicContact CB-CD2 4.12Å; F232-F234 HydrophobicContact CB-CE2 3.45Å; F232-F234 VanDerWaalsContact CB-CE2 3.45Å; F232-F234 HydrophobicContact CB-CZ 4.11Å; F232-F234 HydrophobicContact CG-CE2 4.37Å; F234-D238 WeakPolarHBondContact CB-O 3.5Å; F234-N241 WeakPolarHBondContact CD1-O 3.26Å; F234-A242 HydrophobicContact CD1-CB 4.26Å; F234-A242 HydrophobicContact CE1-CB 3.8Å; F234-A242 HydrophobicContact CE2-CB 4.48Å; F234-A242 HydrophobicContact CZ-CB 3.92Å |
| 235 | S | 93.7 | Very high | 92.5 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 153.1 | 168.4 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | N237 D238 | S235-N237 PolarHBondContact O-N 2.96Å; S235-N237 VanDerWaalsContact O-N 3.16Å; S235-N237 PolarHBondContact OG-N 3.09Å; S235-D238 PolarHBondContact N-O 3.07Å; S235-D238 PolarHBondContact O-N 2.96Å; S235-D238 VanDerWaalsContact O-O 3.08Å |
| 236 | S | 90.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.8 | 172.3 | -163 | 0 | 0 | 0 | 0 | 112.7 | ||
| 237 | N | 87 | Confident | 92.2 | Very high | 157 Ų | 157 | 52.3 Ų | 52.3 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -10.5 | -176.5 | -62.3 | -1.7 | 0 | 0 | 0 | 113.7 | S235 | S235-N237 PolarHBondContact O-N 2.96Å; S235-N237 VanDerWaalsContact O-N 3.16Å; S235-N237 PolarHBondContact OG-N 3.09Å |
| 238 | D | 87.9 | Confident | 92.1 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 107.5 | -178.6 | -175.9 | -5.6 | 0 | 0 | 0 | 109.8 | F234 S235 T240 N241 | F234-D238 WeakPolarHBondContact CB-O 3.5Å; S235-D238 PolarHBondContact N-O 3.07Å; S235-D238 PolarHBondContact O-N 2.96Å; S235-D238 VanDerWaalsContact O-O 3.08Å; D238-T240 WeakPolarHBondContact OD1-CA 3.37Å; D238-T240 PolarHBondContact OD1-N 3.38Å; D238-T240 PolarHBondContact OD1-OG1 2.97Å; D238-N241 PolarHBondContact OD1-N 3.41Å; D238-N241 WeakPolarHBondContact OD2-CB 3.41Å; D238-N241 PolarHBondContact OD2-ND2 2.93Å |
| 239 | R | 87.1 | Confident | 92 | Very high | 85 Ų | 85 | 54 Ų | 54 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 0.3 | 176.4 | -68.4 | 179.2 | -180 | 172.9 | -3.6 | 113 | T206 F211 E213 L223 | T206-R239 VanDerWaalsContact CG2-O 3.22Å; T206-R239 WeakPolarHBondContact CG2-O 3.48Å; F211-R239 HydrophobicContact CE1-CB 4.32Å; F211-R239 HydrophobicContact CE1-CG 4.41Å; F211-R239 HydrophobicContact CZ-CB 4.32Å; E213-R239 IonicContact OE1-NH2 3.57Å; E213-R239 PolarHBondContact OE1-NH2 3.26Å; L223-R239 HydrophobicContact CD1-CG 3.56Å |
| 240 | T | 85.9 | Confident | 91.9 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -54 | 178.3 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | R123 D238 | R123-T240 HydrophobicContact CB-CG2 3.73Å; R123-T240 HydrophobicContact CG-CG2 3.88Å; D238-T240 WeakPolarHBondContact OD1-CA 3.37Å; D238-T240 PolarHBondContact OD1-N 3.38Å; D238-T240 PolarHBondContact OD1-OG1 2.97Å |
| 241 | N | 89.1 | Confident | 91.7 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.5 | -175.1 | -51.5 | -74.9 | 0 | 0 | 0 | 111.9 | F234 D238 I243 | F234-N241 WeakPolarHBondContact CD1-O 3.26Å; D238-N241 PolarHBondContact OD1-N 3.41Å; D238-N241 WeakPolarHBondContact OD2-CB 3.41Å; D238-N241 PolarHBondContact OD2-ND2 2.93Å; N241-I243 PolarHBondContact O-N 3Å |
| 242 | A | 92.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | F232 H233 F234 R244 | F232-A242 HydrophobicContact CB-CB 4.41Å; F232-A242 HydrophobicContact CD1-CB 3.95Å; H233-A242 CarbonylContact O-C 3.42Å; F234-A242 HydrophobicContact CD1-CB 4.26Å; F234-A242 HydrophobicContact CE1-CB 3.8Å; F234-A242 HydrophobicContact CE2-CB 4.48Å; F234-A242 HydrophobicContact CZ-CB 3.92Å; A242-R244 PolarHBondContact O-N 2.63Å |
| 243 | I | 93.4 | Very high | 90.8 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 52% | 0.518 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | -35.9 | 172.6 | -52.2 | 179.3 | 0 | 0 | 0 | 110.4 | H233 N241 | H233-I243 WeakPolarHBondContact O-CB 3.2Å; H233-I243 PolarHBondContact O-N 3.22Å; N241-I243 PolarHBondContact O-N 3Å |
| 244 | R | 92.2 | Very high | 90.7 | Very high | 116 Ų | 116 | 53.3 Ų | 53.3 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.3 | 175.9 | -41 | 178.4 | -161.3 | -134.8 | 1.1 | 109.9 | F232 H233 A242 F246 | F232-R244 CarbonylContact C-O 3.38Å; F232-R244 WeakPolarHBondContact CA-O 3.25Å; H233-R244 HydrophobicContact CB-CB 4.06Å; H233-R244 HydrophobicContact CB-CG 4.31Å; H233-R244 PolarHBondContact N-O 2.77Å; H233-R244 PolarHBondContact O-N 3.49Å; A242-R244 PolarHBondContact O-N 2.63Å; R244-F246 HydrophobicContact CB-CE1 4.26Å; R244-F246 HydrophobicContact CB-CE2 3.77Å; R244-F246 HydrophobicContact CB-CZ 3.45Å; R244-F246 VanDerWaalsContact CB-CZ 3.45Å; R244-F246 HydrophobicContact CG-CZ 4.24Å |
| 245 | S | 93.6 | Very high | 90.5 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.7 | 171.9 | 53.9 | 0 | 0 | 0 | 0 | 110 | ||
| 246 | F | 93.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 108.2 | -178.5 | -49.5 | -71.3 | 0 | 0 | 0 | 108.6 | G230 I231 R244 L251 V265 L286 | G230-F246 CarbonylContact C-O 3.59Å; G230-F246 VanDerWaalsContact CA-O 3.25Å; G230-F246 WeakPolarHBondContact CA-O 3.43Å; I231-F246 PolarHBondContact N-O 3.45Å; I231-F246 WeakPolarHBondContact O-CD2 3.47Å; I231-F246 PolarHBondContact O-N 3.21Å; R244-F246 HydrophobicContact CB-CE1 4.26Å; R244-F246 HydrophobicContact CB-CE2 3.77Å; R244-F246 HydrophobicContact CB-CZ 3.45Å; R244-F246 VanDerWaalsContact CB-CZ 3.45Å; R244-F246 HydrophobicContact CG-CZ 4.24Å; F246-L251 HydrophobicContact CB-CD2 3.76Å; F246-L251 HydrophobicContact CB-CG 4.41Å; F246-V265 HydrophobicContact CD1-CG1 3.83Å; F246-V265 HydrophobicContact CD1-CG2 3.92Å; F246-V265 HydrophobicContact CE1-CG1 4.38Å; F246-V265 HydrophobicContact CE1-CG2 4.21Å; F246-V265 HydrophobicContact CG-CG2 4.3Å; F246-L286 HydrophobicContact CD2-CD1 4.36Å; F246-L286 HydrophobicContact CE1-CD1 3.76Å; F246-L286 HydrophobicContact CE2-CD1 3.55Å; F246-L286 HydrophobicContact CZ-CD1 3.2Å |
| 247 | S | 93.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 152 | 178.7 | 68.8 | 0 | 0 | 0 | 0 | 110.8 | S249 Q250 | S247-S249 PolarHBondContact O-N 2.95Å; S247-S249 PolarHBondContact OG-OG 3.4Å; S247-S249 VanDerWaalsContact OG-OG 3.08Å; S247-Q250 WeakPolarHBondContact O-CB 3.32Å; S247-Q250 PolarHBondContact O-N 2.84Å; S247-Q250 WeakPolarHBondContact OG-CG 3.16Å; S247-Q250 PolarHBondContact OG-OE1 2.64Å |
| 248 | W | 93.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -53.9 | -29.5 | 179.9 | -66.7 | 120.2 | 0 | 0 | 0 | 113.6 | V226 S227 G228 I231 Q250 L251 L254 A303 Q306 H307 Y310 | V226-W248 HydrophobicContact CG1-CH2 4.1Å; V226-W248 HydrophobicContact CG1-CZ2 4.18Å; S227-W248 VanDerWaalsContact O-CZ2 3.32Å; S227-W248 WeakPolarHBondContact O-CZ2 3.48Å; S227-W248 PolarHBondContact O-NE1 2.91Å; S227-W248 VanDerWaalsContact O-NE1 3.12Å; G228-W248 PolarHBondContact O-NE1 3.33Å; I231-W248 HydrophobicContact CD1-CH2 4.13Å; I231-W248 HydrophobicContact CD1-CZ3 4.06Å; I231-W248 HydrophobicContact CG1-CH2 3.72Å; I231-W248 HydrophobicContact CG1-CZ2 4.47Å; I231-W248 HydrophobicContact CG1-CZ3 3.96Å; W248-Q250 VanDerWaalsContact C-N 3.33Å; W248-Q250 PolarHBondContact O-N 2.85Å; W248-L251 HydrophobicContact CE3-CD1 3.74Å; W248-L251 HydrophobicContact CZ3-CD1 3.78Å; W248-L251 PolarHBondContact O-N 2.88Å; W248-L254 HydrophobicContact CZ3-CD1 4.36Å; W248-A303 HydrophobicContact CH2-CB 4.34Å; W248-A303 WeakPolarHBondContact CH2-O 3.42Å; W248-Q306 HydrophobicContact CH2-CB 4.1Å; W248-Q306 HydrophobicContact CZ2-CB 3.6Å; W248-H307 HydrophobicContact CD2-CB 4.1Å; W248-H307 HydrophobicContact CE3-CB 3.54Å; W248-H307 AromaticContact CE3-CD2 3.82Å; W248-H307 AromaticContact CE3-CG 3.59Å; W248-H307 HydrophobicContact CH2-CB 4.29Å; W248-H307 HydrophobicContact CZ3-CB 3.66Å; W248-Y310 HydrophobicContact CB-CD1 3.53Å; W248-Y310 HydrophobicContact CB-CD2 4.29Å; W248-Y310 HydrophobicContact CB-CE1 3.61Å; W248-Y310 HydrophobicContact CB-CE2 4.35Å; W248-Y310 HydrophobicContact CB-CG 3.9Å; W248-Y310 AromaticContact CD1-CD2 3.62Å; W248-Y310 AromaticContact CD1-CG 3.52Å; W248-Y310 AromaticContact CG-CD1 3.98Å; W248-Y310 HydrophobicContact CG-CD1 3.98Å; W248-Y310 HydrophobicContact CG-CD2 4.27Å; W248-Y310 HydrophobicContact CG-CE1 4.47Å; W248-Y310 AromaticContact CG-CG 3.87Å; W248-Y310 HydrophobicContact CG-CG 3.87Å |
| 249 | S | 88.9 | Confident | 91.3 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -73.9 | -15.3 | 175.9 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | S247 R266 | S247-S249 PolarHBondContact O-N 2.95Å; S247-S249 PolarHBondContact OG-OG 3.4Å; S247-S249 VanDerWaalsContact OG-OG 3.08Å; S249-R266 PolarHBondContact O-NH1 3.36Å |
| 250 | Q | 89.4 | Confident | 91.7 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -92.7 | -13.9 | 175.7 | -67.8 | 168 | -31.5 | 0 | 0 | 112.7 | S247 W248 V265 R266 | S247-Q250 WeakPolarHBondContact O-CB 3.32Å; S247-Q250 PolarHBondContact O-N 2.84Å; S247-Q250 WeakPolarHBondContact OG-CG 3.16Å; S247-Q250 PolarHBondContact OG-OE1 2.64Å; W248-Q250 VanDerWaalsContact C-N 3.33Å; W248-Q250 PolarHBondContact O-N 2.85Å; Q250-V265 HydrophobicContact CB-CG1 4.33Å; Q250-R266 PolarHBondContact O-N 3.46Å |
| 251 | L | 90.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.3 | -178.1 | -59.7 | -174.7 | 0 | 0 | 0 | 110.5 | I231 F246 W248 L254 I263 V265 | I231-L251 HydrophobicContact CD1-CD1 3.77Å; I231-L251 HydrophobicContact CG1-CD1 4Å; F246-L251 HydrophobicContact CB-CD2 3.76Å; F246-L251 HydrophobicContact CB-CG 4.41Å; W248-L251 HydrophobicContact CE3-CD1 3.74Å; W248-L251 HydrophobicContact CZ3-CD1 3.78Å; W248-L251 PolarHBondContact O-N 2.88Å; L251-L254 HydrophobicContact CD1-CD2 4.47Å; L251-I263 HydrophobicContact CD2-CG2 3.5Å; L251-V265 HydrophobicContact CD2-CG2 3.86Å |
| 252 | E | 85.8 | Confident | 92.4 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -48.3 | 177.9 | -61.9 | -81.5 | -156.6 | 0 | 0 | 110.7 | E264 R266 L283 P711 | E252-E264 HydrophobicContact CB-CB 4.18Å; E252-E264 PolarHBondContact N-O 3.12Å; E252-R266 HydrophobicContact CG-CB 4.18Å; E252-R266 IonicContact OE1-CZ 3.55Å; E252-R266 VanDerWaalsContact OE1-CZ 3.28Å; E252-R266 IonicContact OE1-NE 2.67Å; E252-R266 PolarHBondContact OE1-NE 2.89Å; E252-R266 IonicContact OE1-NH2 3.19Å; E252-R266 PolarHBondContact OE1-NH2 3.23Å; E252-R266 VanDerWaalsContact OE1-NH2 3.14Å; E252-R266 IonicContact OE2-CZ 2.68Å; E252-R266 IonicContact OE2-NE 2.63Å; E252-R266 IonicContact OE2-NH2 2.72Å; E252-R266 PolarHBondContact OE2-NH2 3.19Å; E252-L283 HydrophobicContact CG-CD2 3.74Å; E252-P711 WeakPolarHBondContact OE2-CG 3.27Å |
| 253 | N | 88.6 | Confident | 92.5 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 159.3 | -178.9 | -155.8 | 1.2 | 0 | 0 | 0 | 112.5 | Y255 E264 Q713 | N253-Y255 HydrophobicContact CB-CE2 3.8Å; N253-Y255 WeakPolarHBondContact ND2-CE1 3.49Å; N253-Y255 PolarHBondContact ND2-OH 3.06Å; N253-E264 PolarHBondContact O-N 2.91Å; N253-Q713 WeakPolarHBondContact OD1-CG 3.45Å; N253-Q713 PolarHBondContact OD1-NE2 3.43Å |
| 254 | L | 93.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.6 | 179 | -62.8 | 176.1 | 0 | 0 | 0 | 109.3 | I231 W248 L251 F261 I263 W300 A303 I304 | I231-L254 HydrophobicContact CD1-CD1 4.23Å; I231-L254 HydrophobicContact CD1-CD2 3.89Å; W248-L254 HydrophobicContact CZ3-CD1 4.36Å; L251-L254 HydrophobicContact CD1-CD2 4.47Å; L254-F261 HydrophobicContact CD2-CZ 4.19Å; L254-I263 HydrophobicContact CD2-CB 4.14Å; L254-I263 HydrophobicContact CD2-CG1 3.91Å; L254-I263 HydrophobicContact CD2-CG2 3.83Å; L254-W300 PolarHBondContact O-NE1 3.02Å; L254-A303 HydrophobicContact CD1-CB 3.74Å; L254-I304 HydrophobicContact CB-CD1 4.1Å; L254-I304 HydrophobicContact CD1-CD1 4.17Å |
| 255 | Y | 90.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 14% | 0.137 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 154.9 | -179.2 | -45.8 | -96.9 | 0 | 0 | 0 | 111 | N253 F261 S262 E264 | N253-Y255 HydrophobicContact CB-CE2 3.8Å; N253-Y255 WeakPolarHBondContact ND2-CE1 3.49Å; N253-Y255 PolarHBondContact ND2-OH 3.06Å; Y255-F261 WeakPolarHBondContact O-CD2 3.44Å; Y255-S262 PolarHBondContact N-O 3.26Å; Y255-S262 PolarHBondContact O-N 3Å; Y255-E264 HydrophobicContact CE2-CB 4.46Å; Y255-E264 VanDerWaalsContact CE2-CD 3.42Å; Y255-E264 HydrophobicContact CE2-CG 3.93Å; Y255-E264 VanDerWaalsContact CE2-OE2 3.29Å; Y255-E264 WeakPolarHBondContact CE2-OE2 3.28Å; Y255-E264 VanDerWaalsContact OH-CD 3.28Å; Y255-E264 PolarHBondContact OH-OE1 2.97Å; Y255-E264 PolarHBondContact OH-OE2 3.37Å |
| 256 | Y | 92.6 | Very high | 91.8 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 30% | 0.298 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.5 | 160.9 | 82.5 | -80.7 | 0 | 0 | 0 | 110.4 | K260 K297 W300 | Y256-K260 CarbonylContact C-O 3.58Å; Y256-K260 VanDerWaalsContact CA-O 3.28Å; Y256-K260 WeakPolarHBondContact CA-O 3.22Å; Y256-K297 HydrophobicContact CD2-CB 4.31Å; Y256-K297 HydrophobicContact CE2-CB 3.91Å; Y256-K297 HydrophobicContact CE2-CG 4.21Å; Y256-W300 HydrophobicContact CD1-CB 3.97Å; Y256-W300 AromaticContact CD1-CD1 3.93Å; Y256-W300 AromaticContact CD1-CD2 3.46Å; Y256-W300 HydrophobicContact CD1-CD2 3.46Å; Y256-W300 VanDerWaalsContact CD1-CD2 3.46Å; Y256-W300 AromaticContact CD1-CE2 3.9Å; Y256-W300 AromaticContact CD1-CE3 3.8Å; Y256-W300 HydrophobicContact CD1-CE3 3.8Å; Y256-W300 AromaticContact CD1-CG 3.52Å; Y256-W300 HydrophobicContact CD1-CG 3.52Å; Y256-W300 AromaticContact CE1-CD2 3.79Å; Y256-W300 HydrophobicContact CE1-CD2 3.79Å; Y256-W300 AromaticContact CE1-CE3 3.65Å; Y256-W300 HydrophobicContact CE1-CE3 3.65Å; Y256-W300 HydrophobicContact CE1-CG 4.31Å; Y256-W300 HydrophobicContact CE1-CH2 4.44Å; Y256-W300 AromaticContact CE1-CZ3 4Å; Y256-W300 HydrophobicContact CE1-CZ3 4Å; Y256-W300 HydrophobicContact CG-CB 4.27Å; Y256-W300 HydrophobicContact CG-CG 4.23Å |
| 257 | R | 93.2 | Very high | 90.8 | Very high | 112 Ų | 112 | 41.3 Ų | 41.3 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 118.2 | 170.7 | -178.3 | 171.7 | 177 | 177.6 | 0.2 | 108.2 | K259 K260 E720 | R257-K259 PolarHBondContact O-N 2.89Å; R257-K260 PolarHBondContact N-O 2.74Å; R257-K260 WeakPolarHBondContact O-CB 3.38Å; R257-K260 PolarHBondContact O-N 2.89Å; R257-E720 IonicContact CZ-OE1 3.34Å; R257-E720 IonicContact NH1-OE1 2.73Å; R257-E720 PolarHBondContact NH1-OE1 2.77Å; R257-E720 IonicContact NH2-OE1 3.75Å |
| 258 | D | 94.5 | Very high | 89.4 | Confident | 112 Ų | 112 | 44 Ų | 44 | 60% | 0.599 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | -109.9 | -174.1 | -51.6 | -60.6 | 0 | 0 | 0 | 111.4 | P293 C296 | D258-P293 WeakPolarHBondContact O-CA 3.43Å; D258-C296 WeakPolarHBondContact O-CB 3.45Å |
| 259 | K | 95.8 | Very high | 87.9 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -8.2 | 176.7 | -64.4 | -170.7 | -175.6 | -163.2 | 0 | 114.5 | R257 I289 C290 D291 P293 C296 | R257-K259 PolarHBondContact O-N 2.89Å; K259-I289 HydrophobicContact CB-CG2 4.4Å; K259-I289 WeakPolarHBondContact O-CA 3.43Å; K259-C290 WeakPolarHBondContact CB-O 3.22Å; K259-C290 WeakPolarHBondContact CD-O 3.28Å; K259-C290 PolarHBondContact O-N 2.93Å; K259-D291 VanDerWaalsContact CE-O 3.24Å; K259-D291 WeakPolarHBondContact CE-O 3.15Å; K259-D291 PolarHBondContact NZ-O 2.87Å; K259-P293 HydrophobicContact CG-CG 4.12Å; K259-C296 VanDerWaalsContact C-SG 3.6Å |
| 260 | K | 96 | Very high | 86.1 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 34% | 0.339 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.9 | 178.1 | -67.5 | 176.9 | 174.8 | 174.5 | 0 | 110.1 | Y256 R257 I287 Y288 C296 E723 | Y256-K260 CarbonylContact C-O 3.58Å; Y256-K260 VanDerWaalsContact CA-O 3.28Å; Y256-K260 WeakPolarHBondContact CA-O 3.22Å; R257-K260 PolarHBondContact N-O 2.74Å; R257-K260 WeakPolarHBondContact O-CB 3.38Å; R257-K260 PolarHBondContact O-N 2.89Å; K260-I287 HydrophobicContact CB-CG2 4.35Å; K260-I287 HydrophobicContact CG-CG2 4.33Å; K260-Y288 CarbonylContact C-O 3.56Å; K260-Y288 WeakPolarHBondContact CA-O 3.26Å; K260-C296 PolarHBondContact O-SG 3.35Å; K260-E723 IonicContact NZ-OE1 3.68Å; K260-E723 PolarHBondContact NZ-OE1 2.97Å; K260-E723 IonicContact NZ-OE2 3.57Å |
| 261 | F | 96.1 | Very high | 84 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123 | 165.5 | 177.3 | -119.1 | 0 | 0 | 0 | 108.4 | L224 L254 Y255 I263 Y288 L299 W300 A303 | L224-F261 HydrophobicContact CD1-CD1 4.01Å; L224-F261 HydrophobicContact CD1-CE1 4.2Å; L254-F261 HydrophobicContact CD2-CZ 4.19Å; Y255-F261 WeakPolarHBondContact O-CD2 3.44Å; F261-I263 HydrophobicContact CD1-CD1 4.46Å; F261-I263 HydrophobicContact CD1-CG1 4.25Å; F261-I263 HydrophobicContact CE1-CD1 3.79Å; F261-I263 HydrophobicContact CE1-CG1 3.74Å; F261-I263 HydrophobicContact CZ-CD1 4.46Å; F261-I263 HydrophobicContact CZ-CG1 4.15Å; F261-Y288 HydrophobicContact CD1-CD2 4.41Å; F261-Y288 PolarHBondContact N-O 3.01Å; F261-Y288 PolarHBondContact O-N 3.23Å; F261-L299 HydrophobicContact CB-CD2 4.35Å; F261-L299 HydrophobicContact CD1-CD2 3.55Å; F261-L299 HydrophobicContact CD1-CG 4.1Å; F261-L299 HydrophobicContact CE1-CD1 4.49Å; F261-L299 HydrophobicContact CE1-CD2 3.89Å; F261-L299 HydrophobicContact CE1-CG 4Å; F261-L299 HydrophobicContact CG-CD2 3.94Å; F261-L299 HydrophobicContact CG-CG 4.39Å; F261-L299 HydrophobicContact CZ-CG 4.23Å; F261-W300 HydrophobicContact CD2-CB 4.06Å; F261-W300 HydrophobicContact CE2-CB 3.88Å; F261-W300 HydrophobicContact CE2-CG 4.37Å; F261-A303 HydrophobicContact CZ-CB 4.33Å |
| 262 | S | 94.5 | Very high | 81.9 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.4 | -173.4 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | Y255 L286 | Y255-S262 PolarHBondContact N-O 3.26Å; Y255-S262 PolarHBondContact O-N 3Å; S262-L286 CarbonylContact C-O 3.54Å; S262-L286 WeakPolarHBondContact CA-O 3.42Å |
| 263 | I | 93.7 | Very high | 80.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | -179.8 | -52.6 | -179.7 | 0 | 0 | 0 | 108.7 | I231 L251 L254 F261 V265 I285 L286 Y288 | I231-I263 HydrophobicContact CD1-CD1 4.09Å; I231-I263 HydrophobicContact CG2-CD1 3.95Å; L251-I263 HydrophobicContact CD2-CG2 3.5Å; L254-I263 HydrophobicContact CD2-CB 4.14Å; L254-I263 HydrophobicContact CD2-CG1 3.91Å; L254-I263 HydrophobicContact CD2-CG2 3.83Å; F261-I263 HydrophobicContact CD1-CD1 4.46Å; F261-I263 HydrophobicContact CD1-CG1 4.25Å; F261-I263 HydrophobicContact CE1-CD1 3.79Å; F261-I263 HydrophobicContact CE1-CG1 3.74Å; F261-I263 HydrophobicContact CZ-CD1 4.46Å; F261-I263 HydrophobicContact CZ-CG1 4.15Å; I263-V265 HydrophobicContact CG2-CG2 3.81Å; I263-I285 WeakPolarHBondContact O-CA 3.44Å; I263-L286 HydrophobicContact CB-CB 4.37Å; I263-L286 PolarHBondContact N-O 3.48Å; I263-L286 PolarHBondContact O-N 3.34Å; I263-Y288 HydrophobicContact CD1-CD2 4.32Å; I263-Y288 HydrophobicContact CD1-CE2 3.86Å; I263-Y288 HydrophobicContact CG1-CE2 4.43Å |
| 264 | E | 91.8 | Very high | 78.2 | Confident | 19 Ų | 19 | 75 Ų | 75 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.2 | 168.6 | -88.3 | 171.6 | 175.2 | 0 | 0 | 110.5 | E252 N253 Y255 I285 | E252-E264 HydrophobicContact CB-CB 4.18Å; E252-E264 PolarHBondContact N-O 3.12Å; N253-E264 PolarHBondContact O-N 2.91Å; Y255-E264 HydrophobicContact CE2-CB 4.46Å; Y255-E264 VanDerWaalsContact CE2-CD 3.42Å; Y255-E264 HydrophobicContact CE2-CG 3.93Å; Y255-E264 VanDerWaalsContact CE2-OE2 3.29Å; Y255-E264 WeakPolarHBondContact CE2-OE2 3.28Å; Y255-E264 VanDerWaalsContact OH-CD 3.28Å; Y255-E264 PolarHBondContact OH-OE1 2.97Å; Y255-E264 PolarHBondContact OH-OE2 3.37Å; E264-I285 HydrophobicContact CG-CD1 4.3Å; E264-I285 HydrophobicContact CG-CG1 3.97Å |
| 265 | V | 89.7 | Confident | 76.2 | Confident | 13 Ų | 13 | 86.8 Ų | 86.8 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.3 | 179.6 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | F246 Q250 L251 I263 D267 H284 L286 | F246-V265 HydrophobicContact CD1-CG1 3.83Å; F246-V265 HydrophobicContact CD1-CG2 3.92Å; F246-V265 HydrophobicContact CE1-CG1 4.38Å; F246-V265 HydrophobicContact CE1-CG2 4.21Å; F246-V265 HydrophobicContact CG-CG2 4.3Å; Q250-V265 HydrophobicContact CB-CG1 4.33Å; L251-V265 HydrophobicContact CD2-CG2 3.86Å; I263-V265 HydrophobicContact CG2-CG2 3.81Å; V265-D267 PolarHBondContact O-N 2.85Å; V265-H284 PolarHBondContact N-O 2.88Å; V265-H284 PolarHBondContact O-N 3.04Å; V265-L286 HydrophobicContact CG2-CD1 3.89Å |
| 266 | R | 83.8 | Confident | 74.4 | Confident | 47 Ų | 47 | 96.5 Ų | 96.5 | 18% | 0.177 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 112 | 172.6 | -165.8 | -173 | -60.5 | 121.4 | -2.1 | 110.6 | S249 Q250 E252 H268 | S249-R266 PolarHBondContact O-NH1 3.36Å; Q250-R266 PolarHBondContact O-N 3.46Å; E252-R266 HydrophobicContact CG-CB 4.18Å; E252-R266 IonicContact OE1-CZ 3.55Å; E252-R266 VanDerWaalsContact OE1-CZ 3.28Å; E252-R266 IonicContact OE1-NE 2.67Å; E252-R266 PolarHBondContact OE1-NE 2.89Å; E252-R266 IonicContact OE1-NH2 3.19Å; E252-R266 PolarHBondContact OE1-NH2 3.23Å; E252-R266 VanDerWaalsContact OE1-NH2 3.14Å; E252-R266 IonicContact OE2-CZ 2.68Å; E252-R266 IonicContact OE2-NE 2.63Å; E252-R266 IonicContact OE2-NH2 2.72Å; E252-R266 PolarHBondContact OE2-NH2 3.19Å; R266-H268 PolarHBondContact O-CD2 3.25Å; R266-H268 VanDerWaalsContact O-CD2 3.26Å; R266-H268 PolarHBondContact O-N 3.1Å |
| 267 | D | 70.4 | Confident | 72.2 | Confident | 45 Ų | 45 | 95.9 Ų | 95.9 | 24% | 0.241 | 45% | 0.445 | C | S | . | . | trans | -80.6 | 93.1 | 173.2 | -175.6 | -0.8 | 0 | 0 | 0 | 110.7 | V265 R269 R270 S282 | V265-D267 PolarHBondContact O-N 2.85Å; D267-R269 PolarHBondContact O-N 2.67Å; D267-R269 WeakPolarHBondContact OD1-CA 3.44Å; D267-R269 WeakPolarHBondContact OD1-CB 3.5Å; D267-R269 PolarHBondContact OD1-N 3.05Å; D267-R270 HydrophobicContact CB-CB 4.38Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 VanDerWaalsContact O-N 3.11Å; D267-R270 PolarHBondContact OD1-N 3.39Å; D267-R270 WeakPolarHBondContact OD2-CD 3.43Å; D267-R270 WeakPolarHBondContact OD2-CG 3.47Å; D267-R270 IonicContact OD2-NE 2.9Å; D267-R270 PolarHBondContact OD2-NE 3.08Å; D267-S282 PolarHBondContact N-O 3.44Å | ||
| 268 | H | 65.8 | Low | 70.2 | Confident | 98 Ų | 98 | 101 Ų | 101 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.6 | 175.2 | -66.3 | -93.2 | 0 | 0 | 0 | 114 | R266 R270 | R266-H268 PolarHBondContact O-CD2 3.25Å; R266-H268 VanDerWaalsContact O-CD2 3.26Å; R266-H268 PolarHBondContact O-N 3.1Å; H268-R270 VanDerWaalsContact C-N 3.33Å |
| 269 | R | 60.8 | Low | 68.1 | Low | 239 Ų | 239 | 100 Ų | 100 | 90% | 0.902 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.6 | 176.5 | -60.5 | -173.5 | 175.1 | -159.1 | -2.2 | 112.2 | D267 | D267-R269 PolarHBondContact O-N 2.67Å; D267-R269 WeakPolarHBondContact OD1-CA 3.44Å; D267-R269 WeakPolarHBondContact OD1-CB 3.5Å; D267-R269 PolarHBondContact OD1-N 3.05Å |
| 270 | R | 51.2 | Low | 66 | Low | 169 Ų | 169 | 99.9 Ų | 99.9 | 64% | 0.638 | 48% | 0.477 | S | S | * | . | trans | -101.8 | 52.8 | 172.9 | -71.3 | 179.1 | -172.6 | -129.1 | -3.7 | 112.4 | D267 H268 S272 S282 | D267-R270 HydrophobicContact CB-CB 4.38Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 VanDerWaalsContact O-N 3.11Å; D267-R270 PolarHBondContact OD1-N 3.39Å; D267-R270 WeakPolarHBondContact OD2-CD 3.43Å; D267-R270 WeakPolarHBondContact OD2-CG 3.47Å; D267-R270 IonicContact OD2-NE 2.9Å; D267-R270 PolarHBondContact OD2-NE 3.08Å; H268-R270 VanDerWaalsContact C-N 3.33Å; R270-S272 PolarHBondContact O-N 3.13Å; R270-S272 VanDerWaalsContact O-N 3.1Å; R270-S282 WeakPolarHBondContact O-CB 3.36Å | ||
| 271 | T | 46.3 | Very low | 64.1 | Low | 109 Ų | 109 | 99 Ų | 99 | 67% | 0.669 | 48% | 0.481 | S | S | * | . | trans | -60.6 | 112.8 | 163.3 | -64 | 0 | 0 | 0 | 0 | 108.9 | L273 | T271-L273 PolarHBondContact O-N 3.48Š| ||
| 272 | S | 44.9 | Very low | 62.7 | Low | 70 Ų | 70 | 100.7 Ų | 100.7 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | trans | -74.3 | 99.3 | -174.4 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | R270 S274 | R270-S272 PolarHBondContact O-N 3.13Å; R270-S272 VanDerWaalsContact O-N 3.1Å; S272-S274 PolarHBondContact O-N 3.07Å | ||
| 273 | L | 50.3 | Low | 61.8 | Low | 177 Ų | 177 | 103.6 Ų | 103.6 | 93% | 0.927 | 51% | 0.508 | S | S | * | . | trans | -64.1 | -6.2 | 175.9 | -64.8 | 175.2 | 0 | 0 | 0 | 113.9 | T271 | T271-L273 PolarHBondContact O-N 3.48Š| ||
| 274 | S | 46 | Very low | 61.4 | Low | 74 Ų | 74 | 108 Ų | 108 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | trans | -98.1 | 96.5 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | S272 R276 | S272-S274 PolarHBondContact O-N 3.07Å; S274-R276 PolarHBondContact O-N 3.38Å | ||
| 275 | R | 51.5 | Low | 61.2 | Low | 253 Ų | 253 | 109 Ų | 109 | 96% | 0.955 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 23.7 | 174.6 | -150.1 | -175.6 | -62 | -162.2 | 1.9 | 113.7 | ||
| 276 | R | 53.4 | Low | 61.4 | Low | 239 Ų | 239 | 109.1 Ų | 109.1 | 90% | 0.902 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -0.5 | -170.3 | -74.7 | -170.6 | 176.5 | -177.9 | 0.4 | 115.4 | S274 | S274-R276 PolarHBondContact O-N 3.38Š|
| 277 | A | 47 | Very low | 61.9 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 51% | 0.512 | 54% | 0.539 | S | S | . | . | trans | -121.8 | 125.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V279 | A277-V279 PolarHBondContact O-N 2.86Š| ||
| 278 | F | 49.9 | Very low | 63.1 | Low | 220 Ų | 220 | 107.5 Ų | 107.5 | 97% | 0.965 | 53% | 0.528 | S | S | * | . | trans | -81.1 | 34.8 | -178 | -138.5 | -85.7 | 0 | 0 | 0 | 112.7 | ||||
| 279 | V | 50.4 | Low | 64.6 | Low | 90 Ų | 90 | 105.8 Ų | 105.8 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -109.6 | 123.8 | -176.7 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | A277 S281 | A277-V279 PolarHBondContact O-N 2.86Å; V279-S281 PolarHBondContact O-N 3.01Å; V279-S281 PolarHBondContact O-OG 3.44Å |
| 280 | P | 53 | Low | 66.3 | Low | 95 Ų | 95 | 94.4 Ų | 94.4 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | trans | -71 | 76.1 | 176.5 | 30.8 | -35 | 0 | 0 | 0 | 110.4 | S282 L283 | P280-S282 PolarHBondContact O-N 3.08Å; P280-L283 HydrophobicContact CB-CD1 4.23Å; P280-L283 HydrophobicContact CB-CG 4.46Å | ||
| 281 | S | 54.7 | Low | 68.3 | Low | 60 Ų | 60 | 88 Ų | 88 | 42% | 0.42 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 10.8 | -167.2 | 31.9 | 0 | 0 | 0 | 0 | 114 | V279 | V279-S281 PolarHBondContact O-N 3.01Å; V279-S281 PolarHBondContact O-OG 3.44Å |
| 282 | S | 68.4 | Low | 70.5 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 24% | 0.238 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 20 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | D267 R270 P280 | D267-S282 PolarHBondContact N-O 3.44Å; R270-S282 WeakPolarHBondContact O-CB 3.36Å; P280-S282 PolarHBondContact O-N 3.08Å |
| 283 | L | 74.9 | Confident | 72.9 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.8 | 178.8 | -59.8 | -172.5 | 0 | 0 | 0 | 111.6 | E252 P280 | E252-L283 HydrophobicContact CG-CD2 3.74Å; P280-L283 HydrophobicContact CB-CD1 4.23Å; P280-L283 HydrophobicContact CB-CG 4.46Å |
| 284 | H | 84.8 | Confident | 74.9 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 43% | 0.431 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.3 | 173.8 | -177.6 | -63.7 | 0 | 0 | 0 | 109.9 | V265 | V265-H284 PolarHBondContact N-O 2.88Å; V265-H284 PolarHBondContact O-N 3.04Å |
| 285 | I | 88.7 | Confident | 77.2 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126 | 178.5 | -46.7 | -173.4 | 0 | 0 | 0 | 110 | I263 E264 I287 L722 | I263-I285 WeakPolarHBondContact O-CA 3.44Å; E264-I285 HydrophobicContact CG-CD1 4.3Å; E264-I285 HydrophobicContact CG-CG1 3.97Å; I285-I287 HydrophobicContact CG2-CG1 4.18Å; I285-L722 HydrophobicContact CD1-CD2 3.52Å; I285-L722 HydrophobicContact CD1-CG 3.93Å |
| 286 | L | 92.3 | Very high | 79.3 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.3 | 170.4 | -65.7 | 160 | 0 | 0 | 0 | 108.7 | F246 S262 I263 V265 Y288 | F246-L286 HydrophobicContact CD2-CD1 4.36Å; F246-L286 HydrophobicContact CE1-CD1 3.76Å; F246-L286 HydrophobicContact CE2-CD1 3.55Å; F246-L286 HydrophobicContact CZ-CD1 3.2Å; S262-L286 CarbonylContact C-O 3.54Å; S262-L286 WeakPolarHBondContact CA-O 3.42Å; I263-L286 HydrophobicContact CB-CB 4.37Å; I263-L286 PolarHBondContact N-O 3.48Å; I263-L286 PolarHBondContact O-N 3.34Å; V265-L286 HydrophobicContact CG2-CD1 3.89Å; L286-Y288 HydrophobicContact CB-CE2 3.77Å |
| 287 | I | 94.7 | Very high | 81.2 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.3 | -179.6 | -55.1 | 177.5 | 0 | 0 | 0 | 108.7 | K260 I285 | K260-I287 HydrophobicContact CB-CG2 4.35Å; K260-I287 HydrophobicContact CG-CG2 4.33Å; I285-I287 HydrophobicContact CG2-CG1 4.18Å |
| 288 | Y | 96.6 | Very high | 83.4 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.6 | 175.6 | -58 | -88.3 | 0 | 0 | 0 | 109.8 | V214 R215 L224 H233 K260 F261 I263 L286 | V214-Y288 HydrophobicContact CG2-CD1 3.96Å; V214-Y288 HydrophobicContact CG2-CG 4.38Å; R215-Y288 CarbonylContact O-C 3.55Å; R215-Y288 VanDerWaalsContact O-CA 3.27Å; R215-Y288 WeakPolarHBondContact O-CA 3.48Å; L224-Y288 HydrophobicContact CD1-CD1 4.07Å; L224-Y288 HydrophobicContact CD1-CD2 3.89Å; L224-Y288 HydrophobicContact CD1-CE1 4.5Å; L224-Y288 HydrophobicContact CD1-CE2 4.34Å; L224-Y288 HydrophobicContact CD1-CG 3.74Å; L224-Y288 HydrophobicContact CD2-CD1 4.27Å; L224-Y288 HydrophobicContact CD2-CD2 4.43Å; L224-Y288 HydrophobicContact CD2-CE1 3.89Å; L224-Y288 HydrophobicContact CD2-CE2 4.06Å; L224-Y288 HydrophobicContact CG-CD1 4.23Å; L224-Y288 HydrophobicContact CG-CE1 4.33Å; L224-Y288 HydrophobicContact CG-CG 4.4Å; H233-Y288 AromaticContact CE1-CE1 3.69Å; H233-Y288 AromaticContact ND1-CE1 3.37Å; H233-Y288 WeakPolarHBondContact ND1-CE1 3.37Å; H233-Y288 AromaticContact ND1-CZ 3.57Å; H233-Y288 PolarHBondContact ND1-OH 3.08Å; K260-Y288 CarbonylContact C-O 3.56Å; K260-Y288 WeakPolarHBondContact CA-O 3.26Å; F261-Y288 HydrophobicContact CD1-CD2 4.41Å; F261-Y288 PolarHBondContact N-O 3.01Å; F261-Y288 PolarHBondContact O-N 3.23Å; I263-Y288 HydrophobicContact CD1-CD2 4.32Å; I263-Y288 HydrophobicContact CD1-CE2 3.86Å; I263-Y288 HydrophobicContact CG1-CE2 4.43Å; L286-Y288 HydrophobicContact CB-CE2 3.77Å |
| 289 | I | 97 | Very high | 85.6 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.2 | -176.2 | -59.3 | 168.6 | 0 | 0 | 0 | 108.2 | R215 K259 | R215-I289 HydrophobicContact CB-CB 4.36Å; R215-I289 PolarHBondContact N-O 3.38Å; R215-I289 PolarHBondContact O-N 2.81Å; K259-I289 HydrophobicContact CB-CG2 4.4Å; K259-I289 WeakPolarHBondContact O-CA 3.43Å |
| 290 | C | 96.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 155.3 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | K259 T292 L295 C296 | K259-C290 WeakPolarHBondContact CB-O 3.22Å; K259-C290 WeakPolarHBondContact CD-O 3.28Å; K259-C290 PolarHBondContact O-N 2.93Å; C290-T292 PolarHBondContact O-N 3.26Å; C290-L295 HydrophobicContact CB-CB 4.27Å; C290-L295 HydrophobicContact CB-CD2 4.19Å; C290-L295 HydrophobicContact CB-CG 4.25Å; C290-C296 HydrophobicContact CB-CB 3.85Å |
| 291 | D | 93.5 | Very high | 89.7 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -70.2 | -30 | -179.3 | -77.9 | -25.6 | 0 | 0 | 0 | 113.9 | R56 R215 K259 | R56-D291 IonicContact CZ-OD2 3.37Å; R56-D291 IonicContact NH1-OD2 2.7Å; R56-D291 PolarHBondContact NH1-OD2 3.43Å; R215-D291 IonicContact CZ-OD1 3.14Å; R215-D291 IonicContact NE-OD1 2.7Å; R215-D291 IonicContact NH2-OD1 3.19Å; R215-D291 PolarHBondContact NH2-OD1 2.92Å; K259-D291 VanDerWaalsContact CE-O 3.24Å; K259-D291 WeakPolarHBondContact CE-O 3.15Å; K259-D291 PolarHBondContact NZ-O 2.87Å |
| 292 | T | 93.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 27% | 0.27 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -129.9 | 153.2 | 176.6 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | C290 Q294 L295 C296 | C290-T292 PolarHBondContact O-N 3.26Å; T292-Q294 PolarHBondContact O-N 3.3Å; T292-L295 PolarHBondContact O-N 2.75Å; T292-L295 VanDerWaalsContact OG1-CB 3.23Å; T292-L295 WeakPolarHBondContact OG1-CB 3.43Å; T292-L295 PolarHBondContact OG1-N 3.05Å; T292-C296 PolarHBondContact O-N 3.31Å; T292-C296 VanDerWaalsContact O-N 3.12Å |
| 293 | P | 94.2 | Very high | 92.9 | Very high | 54 Ų | 54 | 34.2 Ų | 34.2 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63 | -31.5 | 171.5 | -21.6 | 34.2 | 0 | 0 | 0 | 112.6 | D258 K259 C296 K297 | D258-P293 WeakPolarHBondContact O-CA 3.43Å; K259-P293 HydrophobicContact CG-CG 4.12Å; P293-C296 WeakPolarHBondContact O-CB 3.46Å; P293-C296 PolarHBondContact O-N 2.82Å; P293-K297 WeakPolarHBondContact O-CB 3.22Å; P293-K297 PolarHBondContact O-N 2.9Å |
| 294 | Q | 92.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 32 Ų | 32 | 38% | 0.383 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 174 | -74.6 | 73.1 | 7.4 | 0 | 0 | 111.3 | Y60 E72 T292 C296 K297 N298 | Y60-Q294 HydrophobicContact CE1-CB 4.19Å; E72-Q294 WeakPolarHBondContact OE2-CG 3.41Å; E72-Q294 PolarHBondContact OE2-NE2 2.68Å; T292-Q294 PolarHBondContact O-N 3.3Å; Q294-C296 VanDerWaalsContact C-N 3.34Å; Q294-C296 PolarHBondContact O-N 3.29Å; Q294-K297 PolarHBondContact O-N 2.8Å; Q294-N298 VanDerWaalsContact O-CB 3.29Å; Q294-N298 WeakPolarHBondContact O-CB 3.28Å; Q294-N298 PolarHBondContact O-N 2.88Å |
| 295 | L | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.9 | -174.6 | 63.9 | 0 | 0 | 0 | 111.2 | Q58 Y60 Y212 C290 T292 N298 L299 | Q58-L295 HydrophobicContact CB-CD1 3.75Å; Q58-L295 HydrophobicContact CG-CD1 3.95Å; Q58-L295 HydrophobicContact CG-CD2 4.45Å; Y60-L295 HydrophobicContact CE2-CD1 4.44Å; Y212-L295 HydrophobicContact CD1-CD1 3.82Å; Y212-L295 HydrophobicContact CE1-CD1 4.24Å; C290-L295 HydrophobicContact CB-CB 4.27Å; C290-L295 HydrophobicContact CB-CD2 4.19Å; C290-L295 HydrophobicContact CB-CG 4.25Å; T292-L295 PolarHBondContact O-N 2.75Å; T292-L295 VanDerWaalsContact OG1-CB 3.23Å; T292-L295 WeakPolarHBondContact OG1-CB 3.43Å; T292-L295 PolarHBondContact OG1-N 3.05Å; L295-N298 PolarHBondContact O-N 3.06Å; L295-L299 WeakPolarHBondContact O-CB 3.31Å; L295-L299 PolarHBondContact O-N 3.21Å |
| 296 | C | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 176.5 | -163.5 | 0 | 0 | 0 | 0 | 112.4 | D258 K259 K260 C290 T292 P293 Q294 N298 W300 | D258-C296 WeakPolarHBondContact O-CB 3.45Å; K259-C296 VanDerWaalsContact C-SG 3.6Å; K260-C296 PolarHBondContact O-SG 3.35Å; C290-C296 HydrophobicContact CB-CB 3.85Å; T292-C296 PolarHBondContact O-N 3.31Å; T292-C296 VanDerWaalsContact O-N 3.12Å; P293-C296 WeakPolarHBondContact O-CB 3.46Å; P293-C296 PolarHBondContact O-N 2.82Å; Q294-C296 VanDerWaalsContact C-N 3.34Å; Q294-C296 PolarHBondContact O-N 3.29Å; C296-N298 PolarHBondContact O-N 2.78Å; C296-W300 WeakPolarHBondContact O-CB 3.24Å; C296-W300 PolarHBondContact O-N 3.48Å |
| 297 | K | 93.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 27 Ų | 27 | 34% | 0.343 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64 | -37.2 | 176.4 | 178.6 | -175.2 | 171.6 | -167.5 | 0 | 112.3 | Y256 P293 Q294 S301 | Y256-K297 HydrophobicContact CD2-CB 4.31Å; Y256-K297 HydrophobicContact CE2-CB 3.91Å; Y256-K297 HydrophobicContact CE2-CG 4.21Å; P293-K297 WeakPolarHBondContact O-CB 3.22Å; P293-K297 PolarHBondContact O-N 2.9Å; Q294-K297 PolarHBondContact O-N 2.8Å; K297-S301 WeakPolarHBondContact O-CB 3.35Å; K297-S301 PolarHBondContact O-N 2.88Å |
| 298 | N | 94.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.9 | -47.2 | 177.6 | 175.3 | 61 | 0 | 0 | 0 | 112.1 | L59 Y60 W61 Y212 Q294 L295 C296 W300 S301 L302 | L59-N298 PolarHBondContact O-ND2 2.87Å; Y60-N298 WeakPolarHBondContact CA-OD1 3.41Å; Y60-N298 HydrophobicContact CD1-CB 3.66Å; Y60-N298 HydrophobicContact CE1-CB 3.98Å; Y60-N298 HydrophobicContact CG-CB 4.5Å; W61-N298 PolarHBondContact N-OD1 2.86Å; Y212-N298 WeakPolarHBondContact CE1-ND2 3.4Å; Y212-N298 PolarHBondContact OH-ND2 3.19Å; Q294-N298 VanDerWaalsContact O-CB 3.29Å; Q294-N298 WeakPolarHBondContact O-CB 3.28Å; Q294-N298 PolarHBondContact O-N 2.88Å; L295-N298 PolarHBondContact O-N 3.06Å; C296-N298 PolarHBondContact O-N 2.78Å; N298-W300 PolarHBondContact O-N 3.45Å; N298-S301 WeakPolarHBondContact O-CB 3.47Å; N298-S301 PolarHBondContact O-N 3.31Å; N298-L302 PolarHBondContact O-N 2.84Å |
| 299 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.7 | -48 | 173.6 | 170.7 | 61.4 | 0 | 0 | 0 | 111.3 | Y212 V214 L224 V226 F261 L295 L302 A303 | Y212-L299 HydrophobicContact CD2-CD1 3.65Å; Y212-L299 HydrophobicContact CE2-CD1 4.27Å; Y212-L299 HydrophobicContact CG-CD1 4Å; V214-L299 HydrophobicContact CG1-CD2 4.24Å; L224-L299 HydrophobicContact CD1-CD2 3.82Å; V226-L299 HydrophobicContact CG2-CD1 3.76Å; F261-L299 HydrophobicContact CB-CD2 4.35Å; F261-L299 HydrophobicContact CD1-CD2 3.55Å; F261-L299 HydrophobicContact CD1-CG 4.1Å; F261-L299 HydrophobicContact CE1-CD1 4.49Å; F261-L299 HydrophobicContact CE1-CD2 3.89Å; F261-L299 HydrophobicContact CE1-CG 4Å; F261-L299 HydrophobicContact CG-CD2 3.94Å; F261-L299 HydrophobicContact CG-CG 4.39Å; F261-L299 HydrophobicContact CZ-CG 4.23Å; L295-L299 WeakPolarHBondContact O-CB 3.31Å; L295-L299 PolarHBondContact O-N 3.21Å; L299-L302 PolarHBondContact O-N 3.04Å; L299-A303 WeakPolarHBondContact O-CB 3.4Å; L299-A303 PolarHBondContact O-N 3.04Å |
| 300 | W | 95.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 17% | 0.17 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 174.7 | 176.1 | 87.6 | 0 | 0 | 0 | 111.9 | L254 Y256 F261 C296 N298 L302 A303 I304 | L254-W300 PolarHBondContact O-NE1 3.02Å; Y256-W300 HydrophobicContact CD1-CB 3.97Å; Y256-W300 AromaticContact CD1-CD1 3.93Å; Y256-W300 AromaticContact CD1-CD2 3.46Å; Y256-W300 HydrophobicContact CD1-CD2 3.46Å; Y256-W300 VanDerWaalsContact CD1-CD2 3.46Å; Y256-W300 AromaticContact CD1-CE2 3.9Å; Y256-W300 AromaticContact CD1-CE3 3.8Å; Y256-W300 HydrophobicContact CD1-CE3 3.8Å; Y256-W300 AromaticContact CD1-CG 3.52Å; Y256-W300 HydrophobicContact CD1-CG 3.52Å; Y256-W300 AromaticContact CE1-CD2 3.79Å; Y256-W300 HydrophobicContact CE1-CD2 3.79Å; Y256-W300 AromaticContact CE1-CE3 3.65Å; Y256-W300 HydrophobicContact CE1-CE3 3.65Å; Y256-W300 HydrophobicContact CE1-CG 4.31Å; Y256-W300 HydrophobicContact CE1-CH2 4.44Å; Y256-W300 AromaticContact CE1-CZ3 4Å; Y256-W300 HydrophobicContact CE1-CZ3 4Å; Y256-W300 HydrophobicContact CG-CB 4.27Å; Y256-W300 HydrophobicContact CG-CG 4.23Å; F261-W300 HydrophobicContact CD2-CB 4.06Å; F261-W300 HydrophobicContact CE2-CB 3.88Å; F261-W300 HydrophobicContact CE2-CG 4.37Å; C296-W300 WeakPolarHBondContact O-CB 3.24Å; C296-W300 PolarHBondContact O-N 3.48Å; N298-W300 PolarHBondContact O-N 3.45Å; W300-L302 VanDerWaalsContact C-N 3.33Å; W300-L302 PolarHBondContact O-N 3.36Å; W300-A303 PolarHBondContact O-N 3.42Å; W300-I304 HydrophobicContact CD2-CG1 3.95Å; W300-I304 HydrophobicContact CG-CG1 4.32Å; W300-I304 HydrophobicContact CH2-CG1 4.46Å; W300-I304 HydrophobicContact CZ2-CD1 4.29Å; W300-I304 HydrophobicContact CZ2-CG1 3.9Å; W300-I304 WeakPolarHBondContact O-CB 3.45Å; W300-I304 VanDerWaalsContact O-CG1 3.25Å; W300-I304 WeakPolarHBondContact O-CG1 3.45Å; W300-I304 PolarHBondContact O-N 3.07Å |
| 301 | S | 93.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.5 | -43.8 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | K297 N298 A305 | K297-S301 WeakPolarHBondContact O-CB 3.35Å; K297-S301 PolarHBondContact O-N 2.88Å; N298-S301 WeakPolarHBondContact O-CB 3.47Å; N298-S301 PolarHBondContact O-N 3.31Å; S301-A305 VanDerWaalsContact O-CB 3.3Å; S301-A305 WeakPolarHBondContact O-CB 3.39Å; S301-A305 PolarHBondContact O-N 2.92Å |
| 302 | L | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.4 | -45.7 | 175.8 | -177 | 64.9 | 0 | 0 | 0 | 111.8 | W61 H210 Y212 N298 L299 W300 I304 A305 Q306 | W61-L302 HydrophobicContact CG-CD1 4.21Å; H210-L302 HydrophobicContact CB-CD2 3.68Å; Y212-L302 HydrophobicContact CE2-CD2 3.72Å; N298-L302 PolarHBondContact O-N 2.84Å; L299-L302 PolarHBondContact O-N 3.04Å; W300-L302 VanDerWaalsContact C-N 3.33Å; W300-L302 PolarHBondContact O-N 3.36Å; L302-I304 PolarHBondContact O-N 3.47Å; L302-A305 PolarHBondContact O-N 2.9Å; L302-Q306 HydrophobicContact CD1-CG 4.05Å; L302-Q306 HydrophobicContact CG-CG 4.12Å; L302-Q306 WeakPolarHBondContact O-CB 3.41Å; L302-Q306 VanDerWaalsContact O-CG 3.25Å; L302-Q306 WeakPolarHBondContact O-CG 3.33Å; L302-Q306 PolarHBondContact O-N 2.86Å |
| 303 | A | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V226 I231 W248 L254 F261 L299 W300 H307 | V226-A303 HydrophobicContact CG1-CB 4.23Å; I231-A303 HydrophobicContact CD1-CB 4.12Å; W248-A303 HydrophobicContact CH2-CB 4.34Å; W248-A303 WeakPolarHBondContact CH2-O 3.42Å; L254-A303 HydrophobicContact CD1-CB 3.74Å; F261-A303 HydrophobicContact CZ-CB 4.33Å; L299-A303 WeakPolarHBondContact O-CB 3.4Å; L299-A303 PolarHBondContact O-N 3.04Å; W300-A303 PolarHBondContact O-N 3.42Å; A303-H307 WeakPolarHBondContact O-CB 3.43Å; A303-H307 PolarHBondContact O-N 2.87Å |
| 304 | I | 93.4 | Very high | 91.4 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 171.4 | -69.5 | -63.4 | 0 | 0 | 0 | 111.1 | L254 W300 L302 H307 Q308 Y634 | L254-I304 HydrophobicContact CB-CD1 4.1Å; L254-I304 HydrophobicContact CD1-CD1 4.17Å; W300-I304 HydrophobicContact CD2-CG1 3.95Å; W300-I304 HydrophobicContact CG-CG1 4.32Å; W300-I304 HydrophobicContact CH2-CG1 4.46Å; W300-I304 HydrophobicContact CZ2-CD1 4.29Å; W300-I304 HydrophobicContact CZ2-CG1 3.9Å; W300-I304 WeakPolarHBondContact O-CB 3.45Å; W300-I304 VanDerWaalsContact O-CG1 3.25Å; W300-I304 WeakPolarHBondContact O-CG1 3.45Å; W300-I304 PolarHBondContact O-N 3.07Å; L302-I304 PolarHBondContact O-N 3.47Å; I304-H307 PolarHBondContact O-N 2.95Å; I304-Q308 WeakPolarHBondContact O-CB 3.4Å; I304-Q308 PolarHBondContact O-N 2.83Å; I304-Y634 HydrophobicContact CD1-CE2 4.05Å; I304-Y634 WeakPolarHBondContact CD1-OH 3.17Å; I304-Y634 HydrophobicContact CG2-CE2 3.88Å |
| 305 | A | 92.5 | Very high | 90 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y92 S301 L302 Q308 F309 | Y92-A305 HydrophobicContact CE1-CB 4.24Å; S301-A305 VanDerWaalsContact O-CB 3.3Å; S301-A305 WeakPolarHBondContact O-CB 3.39Å; S301-A305 PolarHBondContact O-N 2.92Å; L302-A305 PolarHBondContact O-N 2.9Å; A305-Q308 PolarHBondContact O-N 3.18Å; A305-F309 WeakPolarHBondContact O-CB 3.4Å; A305-F309 PolarHBondContact O-N 3.25Å |
| 306 | Q | 93.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.3 | -66.2 | -74.1 | -10.6 | 0 | 0 | 111.3 | R91 V226 W248 L302 Y310 | R91-Q306 PolarHBondContact O-NE2 3.44Å; V226-Q306 HydrophobicContact CG1-CB 4.31Å; V226-Q306 HydrophobicContact CG1-CG 4.03Å; W248-Q306 HydrophobicContact CH2-CB 4.1Å; W248-Q306 HydrophobicContact CZ2-CB 3.6Å; L302-Q306 HydrophobicContact CD1-CG 4.05Å; L302-Q306 HydrophobicContact CG-CG 4.12Å; L302-Q306 WeakPolarHBondContact O-CB 3.41Å; L302-Q306 VanDerWaalsContact O-CG 3.25Å; L302-Q306 WeakPolarHBondContact O-CG 3.33Å; L302-Q306 PolarHBondContact O-N 2.86Å; Q306-Y310 WeakPolarHBondContact O-CB 3.39Å; Q306-Y310 PolarHBondContact O-N 3.45Å |
| 307 | H | 93.1 | Very high | 86.5 | Confident | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.9 | -168.4 | -170.1 | 0 | 0 | 0 | 111.7 | W248 A303 I304 Y310 L311 | W248-H307 HydrophobicContact CD2-CB 4.1Å; W248-H307 HydrophobicContact CE3-CB 3.54Å; W248-H307 AromaticContact CE3-CD2 3.82Å; W248-H307 AromaticContact CE3-CG 3.59Å; W248-H307 HydrophobicContact CH2-CB 4.29Å; W248-H307 HydrophobicContact CZ3-CB 3.66Å; A303-H307 WeakPolarHBondContact O-CB 3.43Å; A303-H307 PolarHBondContact O-N 2.87Å; I304-H307 PolarHBondContact O-N 2.95Å; H307-Y310 WeakPolarHBondContact O-CB 3.29Å; H307-Y310 PolarHBondContact O-N 2.89Å; H307-L311 WeakPolarHBondContact O-CG 3.41Å; H307-L311 PolarHBondContact O-N 3.02Å |
| 308 | Q | 90.9 | Very high | 84.8 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 176.8 | -177.2 | 54.5 | 52 | 0 | 0 | 110.9 | I304 A305 Y310 L311 D312 Y634 | I304-Q308 WeakPolarHBondContact O-CB 3.4Å; I304-Q308 PolarHBondContact O-N 2.83Å; A305-Q308 PolarHBondContact O-N 3.18Å; Q308-Y310 VanDerWaalsContact C-N 3.34Å; Q308-Y310 PolarHBondContact O-N 3.47Å; Q308-L311 WeakPolarHBondContact O-CB 3.37Å; Q308-L311 PolarHBondContact O-N 3.44Å; Q308-L311 VanDerWaalsContact O-N 3.09Å; Q308-D312 PolarHBondContact NE2-OD1 2.88Å; Q308-D312 PolarHBondContact NE2-OD2 2.81Å; Q308-D312 PolarHBondContact O-N 3.49Å; Q308-Y634 VanDerWaalsContact OE1-CE1 3.28Å |
| 309 | F | 91 | Very high | 83.3 | Confident | 21 Ų | 21 | 54 Ų | 54 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 175.3 | 176.9 | -96.4 | 0 | 0 | 0 | 113.1 | Y47 Y92 V94 A305 T313 | Y47-F309 HydrophobicContact CD1-CE2 4.17Å; Y47-F309 AromaticContact CD1-CZ 3.99Å; Y47-F309 HydrophobicContact CD1-CZ 3.99Å; Y47-F309 HydrophobicContact CE1-CE2 4.08Å; Y47-F309 AromaticContact CE1-CZ 3.79Å; Y47-F309 HydrophobicContact CE1-CZ 3.79Å; Y92-F309 HydrophobicContact CD1-CB 3.67Å; Y92-F309 AromaticContact CD1-CD1 3.93Å; Y92-F309 HydrophobicContact CD1-CD1 3.93Å; Y92-F309 HydrophobicContact CD1-CD2 4.23Å; Y92-F309 AromaticContact CD1-CG 3.65Å; Y92-F309 HydrophobicContact CD1-CG 3.65Å; Y92-F309 HydrophobicContact CD2-CD2 4.2Å; Y92-F309 HydrophobicContact CD2-CG 4.44Å; Y92-F309 HydrophobicContact CE1-CB 3.8Å; Y92-F309 HydrophobicContact CE1-CG 4.24Å; Y92-F309 HydrophobicContact CG-CB 4.25Å; Y92-F309 HydrophobicContact CG-CD1 4.03Å; Y92-F309 AromaticContact CG-CD2 3.93Å; Y92-F309 HydrophobicContact CG-CD2 3.93Å; Y92-F309 HydrophobicContact CG-CE1 4.44Å; Y92-F309 HydrophobicContact CG-CE2 4.34Å; Y92-F309 AromaticContact CG-CG 3.77Å; Y92-F309 HydrophobicContact CG-CG 3.77Å; V94-F309 HydrophobicContact CG1-CZ 4.28Å; A305-F309 WeakPolarHBondContact O-CB 3.4Å; A305-F309 PolarHBondContact O-N 3.25Å; F309-T313 WeakPolarHBondContact O-CB 3.33Å; F309-T313 PolarHBondContact O-N 3.04Å; F309-T313 VanDerWaalsContact O-N 3.07Å; F309-T313 PolarHBondContact O-OG1 2.98Å |
| 310 | Y | 89.9 | Confident | 81.9 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 172.2 | 164.6 | -91.7 | 0 | 0 | 0 | 111.7 | W248 Q306 H307 Q308 K314 | W248-Y310 HydrophobicContact CB-CD1 3.53Å; W248-Y310 HydrophobicContact CB-CD2 4.29Å; W248-Y310 HydrophobicContact CB-CE1 3.61Å; W248-Y310 HydrophobicContact CB-CE2 4.35Å; W248-Y310 HydrophobicContact CB-CG 3.9Å; W248-Y310 AromaticContact CD1-CD2 3.62Å; W248-Y310 AromaticContact CD1-CG 3.52Å; W248-Y310 AromaticContact CG-CD1 3.98Å; W248-Y310 HydrophobicContact CG-CD1 3.98Å; W248-Y310 HydrophobicContact CG-CD2 4.27Å; W248-Y310 HydrophobicContact CG-CE1 4.47Å; W248-Y310 AromaticContact CG-CG 3.87Å; W248-Y310 HydrophobicContact CG-CG 3.87Å; Q306-Y310 WeakPolarHBondContact O-CB 3.39Å; Q306-Y310 PolarHBondContact O-N 3.45Å; H307-Y310 WeakPolarHBondContact O-CB 3.29Å; H307-Y310 PolarHBondContact O-N 2.89Å; Q308-Y310 VanDerWaalsContact C-N 3.34Å; Q308-Y310 PolarHBondContact O-N 3.47Å; Y310-K314 HydrophobicContact CE1-CD 3.93Å; Y310-K314 VanDerWaalsContact O-CB 3.31Å; Y310-K314 WeakPolarHBondContact O-CB 3.49Å; Y310-K314 PolarHBondContact O-N 3.41Å; Y310-K314 WeakPolarHBondContact OH-CE 3.48Å; Y310-K314 PolarHBondContact OH-NZ 2.84Å |
| 311 | L | 89 | Confident | 80.7 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | -179.8 | -68.8 | 171.7 | 0 | 0 | 0 | 111.6 | H307 Q308 T313 K314 | H307-L311 WeakPolarHBondContact O-CG 3.41Å; H307-L311 PolarHBondContact O-N 3.02Å; Q308-L311 WeakPolarHBondContact O-CB 3.37Å; Q308-L311 PolarHBondContact O-N 3.44Å; Q308-L311 VanDerWaalsContact O-N 3.09Å; L311-T313 VanDerWaalsContact C-N 3.32Å; L311-T313 PolarHBondContact O-N 2.88Å; L311-K314 WeakPolarHBondContact O-CB 3.45Å; L311-K314 PolarHBondContact O-N 3.49Å |
| 312 | D | 85.8 | Confident | 79.7 | Confident | 74 Ų | 74 | 67 Ų | 67 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | -179.2 | -65.2 | -36.3 | 0 | 0 | 0 | 111.5 | Q308 T315 | Q308-D312 PolarHBondContact NE2-OD1 2.88Å; Q308-D312 PolarHBondContact NE2-OD2 2.81Å; Q308-D312 PolarHBondContact O-N 3.49Å; D312-T315 PolarHBondContact O-OG1 3.29Å |
| 313 | T | 80.6 | Confident | 78.9 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 16% | 0.16 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -88.1 | -2.9 | -177.7 | -24 | 0 | 0 | 0 | 0 | 114.5 | F309 L311 T315 V316 | F309-T313 WeakPolarHBondContact O-CB 3.33Å; F309-T313 PolarHBondContact O-N 3.04Å; F309-T313 VanDerWaalsContact O-N 3.07Å; F309-T313 PolarHBondContact O-OG1 2.98Å; L311-T313 VanDerWaalsContact C-N 3.32Å; L311-T313 PolarHBondContact O-N 2.88Å; T313-T315 VanDerWaalsContact C-N 3.28Å; T313-T315 PolarHBondContact O-N 3.31Å; T313-V316 HydrophobicContact CG2-CG2 3.98Å; T313-V316 PolarHBondContact O-N 3.36Å |
| 314 | K | 73.5 | Confident | 77.9 | Confident | 124 Ų | 124 | 74.5 Ų | 74.5 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.6 | 178.4 | -174.9 | 170.5 | -176.1 | 166.8 | 0 | 113.5 | Y310 L311 V316 | Y310-K314 HydrophobicContact CE1-CD 3.93Å; Y310-K314 VanDerWaalsContact O-CB 3.31Å; Y310-K314 WeakPolarHBondContact O-CB 3.49Å; Y310-K314 PolarHBondContact O-N 3.41Å; Y310-K314 WeakPolarHBondContact OH-CE 3.48Å; Y310-K314 PolarHBondContact OH-NZ 2.84Å; L311-K314 WeakPolarHBondContact O-CB 3.45Å; L311-K314 PolarHBondContact O-N 3.49Å; K314-V316 VanDerWaalsContact C-N 3.27Å; K314-V316 PolarHBondContact O-N 2.81Å |
| 315 | T | 63.9 | Low | 77.2 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.9 | 179.1 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | D312 T313 V317 | D312-T315 PolarHBondContact O-OG1 3.29Å; T313-T315 VanDerWaalsContact C-N 3.28Å; T313-T315 PolarHBondContact O-N 3.31Å; T315-V317 PolarHBondContact O-N 3.17Å; T315-V317 VanDerWaalsContact O-N 3.14Å |
| 316 | V | 62.2 | Low | 76.7 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 49% | 0.485 | 43% | 0.431 | S | S | . | . | trans | -76.1 | 103.1 | -176.6 | -176 | 0 | 0 | 0 | 0 | 110.5 | T313 K314 | T313-V316 HydrophobicContact CG2-CG2 3.98Å; T313-V316 PolarHBondContact O-N 3.36Å; K314-V316 VanDerWaalsContact C-N 3.27Å; K314-V316 PolarHBondContact O-N 2.81Å | ||
| 317 | V | 54.8 | Low | 76.2 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 70% | 0.697 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 143.1 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | T315 K319 | T315-V317 PolarHBondContact O-N 3.17Å; T315-V317 VanDerWaalsContact O-N 3.14Å; V317-K319 PolarHBondContact O-N 3.22Å |
| 318 | K | 57.8 | Low | 75.9 | Confident | 202 Ų | 202 | 87 Ų | 87 | 88% | 0.878 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 117.5 | 176.7 | -65.7 | 178.1 | 179.7 | 176 | 0 | 110.5 | ||
| 319 | K | 62.8 | Low | 75.8 | Confident | 99 Ų | 99 | 89.4 Ų | 89.4 | 43% | 0.43 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.3 | 178.3 | -62.9 | 176.2 | -177.6 | 173.6 | 0 | 111 | V317 V323 Q324 L327 | V317-K319 PolarHBondContact O-N 3.22Å; K319-V323 HydrophobicContact CB-CB 4.37Å; K319-V323 HydrophobicContact CB-CG1 4.19Å; K319-V323 HydrophobicContact CD-CG1 4.18Å; K319-V323 HydrophobicContact CG-CG1 4.48Å; K319-Q324 HydrophobicContact CB-CG 4.34Å; K319-Q324 PolarHBondContact O-NE2 2.91Å; K319-L327 HydrophobicContact CD-CD2 4.49Å |
| 320 | D | 64.7 | Low | 75.7 | Confident | 109 Ų | 109 | 93.6 Ų | 93.6 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 147.9 | 174.1 | -82.1 | -37.5 | 0 | 0 | 0 | 112.9 | A322 V323 Q324 | D320-A322 PolarHBondContact O-N 3.27Å; D320-V323 HydrophobicContact CB-CB 4.45Å; D320-V323 HydrophobicContact CB-CG2 4.07Å; D320-V323 WeakPolarHBondContact O-CA 3.45Å; D320-V323 WeakPolarHBondContact O-CB 3.37Å; D320-V323 PolarHBondContact O-N 2.88Å; D320-Q324 PolarHBondContact O-N 3.24Å |
| 321 | K | 71.6 | Confident | 75.8 | Confident | 177 Ų | 177 | 91.1 Ų | 91.1 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -52.3 | -41.7 | 177.8 | -69.3 | -175.3 | 178.7 | -179.6 | 0 | 112.7 | V323 Q324 L325 | K321-V323 VanDerWaalsContact C-N 3.3Å; K321-V323 PolarHBondContact O-N 3.46Å; K321-Q324 WeakPolarHBondContact O-CB 3.46Å; K321-Q324 PolarHBondContact O-N 3.11Å; K321-L325 PolarHBondContact O-N 3.21Å |
| 322 | A | 72.6 | Confident | 75.9 | Confident | 66 Ų | 66 | 90.1 Ų | 90.1 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -30.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D320 K326 | D320-A322 PolarHBondContact O-N 3.27Å; A322-K326 WeakPolarHBondContact O-CG 3.29Å; A322-K326 PolarHBondContact O-N 3.1Å |
| 323 | V | 76.5 | Confident | 76.1 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.1 | -38 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | K319 D320 K321 K326 L327 | K319-V323 HydrophobicContact CB-CB 4.37Å; K319-V323 HydrophobicContact CB-CG1 4.19Å; K319-V323 HydrophobicContact CD-CG1 4.18Å; K319-V323 HydrophobicContact CG-CG1 4.48Å; D320-V323 HydrophobicContact CB-CB 4.45Å; D320-V323 HydrophobicContact CB-CG2 4.07Å; D320-V323 WeakPolarHBondContact O-CA 3.45Å; D320-V323 WeakPolarHBondContact O-CB 3.37Å; D320-V323 PolarHBondContact O-N 2.88Å; K321-V323 VanDerWaalsContact C-N 3.3Å; K321-V323 PolarHBondContact O-N 3.46Å; V323-K326 PolarHBondContact O-N 2.89Å; V323-L327 WeakPolarHBondContact O-CB 3.4Å; V323-L327 PolarHBondContact O-N 2.88Å |
| 324 | Q | 75.1 | Confident | 76.6 | Confident | 90 Ų | 90 | 91 Ų | 91 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 174.2 | -61.8 | 178.6 | 29.2 | 0 | 0 | 111.6 | K319 D320 K321 K326 L327 V328 | K319-Q324 HydrophobicContact CB-CG 4.34Å; K319-Q324 PolarHBondContact O-NE2 2.91Å; D320-Q324 PolarHBondContact O-N 3.24Å; K321-Q324 WeakPolarHBondContact O-CB 3.46Å; K321-Q324 PolarHBondContact O-N 3.11Å; Q324-K326 PolarHBondContact O-N 3.06Å; Q324-L327 PolarHBondContact O-N 3.16Å; Q324-L327 VanDerWaalsContact O-N 3.13Å; Q324-V328 WeakPolarHBondContact O-CG2 3.39Å; Q324-V328 PolarHBondContact O-N 2.89Å |
| 325 | L | 79.5 | Confident | 77.6 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.9 | -47 | 175.6 | -86.1 | 150.9 | 0 | 0 | 0 | 112.7 | K321 L327 V328 N329 | K321-L325 PolarHBondContact O-N 3.21Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 2.74Å; L325-V328 PolarHBondContact O-N 3.07Å; L325-N329 PolarHBondContact O-N 3.23Å |
| 326 | K | 82.5 | Confident | 78.9 | Confident | 136 Ų | 136 | 83.2 Ų | 83.2 | 59% | 0.591 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.7 | -38.8 | 174.5 | -72.7 | -178.4 | 178.3 | -172 | 0 | 112 | A322 V323 Q324 N329 N330 | A322-K326 WeakPolarHBondContact O-CG 3.29Å; A322-K326 PolarHBondContact O-N 3.1Å; V323-K326 PolarHBondContact O-N 2.89Å; Q324-K326 PolarHBondContact O-N 3.06Å; K326-N329 PolarHBondContact O-N 3Å; K326-N330 PolarHBondContact O-N 2.92Å; K326-N330 PolarHBondContact O-OD1 3.4Å |
| 327 | L | 83.2 | Confident | 80.2 | Confident | 33 Ų | 33 | 88.3 Ų | 88.3 | 17% | 0.173 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 179.6 | -170.7 | 51.4 | 0 | 0 | 0 | 112.7 | L98 K319 V323 Q324 L325 N330 V331 | L98-L327 HydrophobicContact CB-CD2 4.29Å; L98-L327 HydrophobicContact CD2-CG 4.42Å; L98-L327 VanDerWaalsContact O-CD2 3.23Å; L98-L327 WeakPolarHBondContact O-CD2 3.47Å; K319-L327 HydrophobicContact CD-CD2 4.49Å; V323-L327 WeakPolarHBondContact O-CB 3.4Å; V323-L327 PolarHBondContact O-N 2.88Å; Q324-L327 PolarHBondContact O-N 3.16Å; Q324-L327 VanDerWaalsContact O-N 3.13Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 2.74Å; L327-N330 PolarHBondContact O-N 3.27Å; L327-V331 WeakPolarHBondContact O-CB 3.43Å; L327-V331 WeakPolarHBondContact O-CG2 3.24Å; L327-V331 PolarHBondContact O-N 2.7Å |
| 328 | V | 87.1 | Confident | 81.8 | Confident | 41 Ų | 41 | 85.2 Ų | 85.2 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 170.7 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L98 Q324 L325 N330 V331 L332 | L98-V328 HydrophobicContact CD1-CG2 3.64Å; L98-V328 HydrophobicContact CD2-CG2 3.78Å; L98-V328 HydrophobicContact CG-CG2 4.36Å; Q324-V328 WeakPolarHBondContact O-CG2 3.39Å; Q324-V328 PolarHBondContact O-N 2.89Å; L325-V328 PolarHBondContact O-N 3.07Å; V328-N330 PolarHBondContact O-N 2.9Å; V328-V331 PolarHBondContact O-N 2.73Å; V328-L332 VanDerWaalsContact O-CB 3.27Å; V328-L332 WeakPolarHBondContact O-CB 3.45Å; V328-L332 PolarHBondContact O-N 3.28Å |
| 329 | N | 88.4 | Confident | 82.8 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 179.7 | -69.7 | -0.2 | 0 | 0 | 0 | 112.2 | L325 K326 V331 L332 E333 | L325-N329 PolarHBondContact O-N 3.23Å; K326-N329 PolarHBondContact O-N 3Å; N329-V331 PolarHBondContact O-N 3.27Å; N329-L332 PolarHBondContact O-N 2.89Å; N329-E333 PolarHBondContact O-N 2.57Å |
| 330 | N | 88.9 | Confident | 83 | Confident | 109 Ų | 109 | 80 Ų | 80 | 58% | 0.583 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 176.1 | -68.5 | -2.1 | 0 | 0 | 0 | 112.2 | K326 L327 V328 G334 | K326-N330 PolarHBondContact O-N 2.92Å; K326-N330 PolarHBondContact O-OD1 3.4Å; L327-N330 PolarHBondContact O-N 3.27Å; V328-N330 PolarHBondContact O-N 2.9Å; N330-G334 PolarHBondContact O-N 3.26Å; N330-G334 VanDerWaalsContact O-N 3.11Å |
| 331 | V | 90.6 | Very high | 82.6 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 3% | 0.03 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.2 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | F97 L98 V106 V195 L327 V328 N329 G334 L335 | F97-V331 HydrophobicContact CE2-CG1 4.5Å; L98-V331 HydrophobicContact CD2-CG2 4.46Å; V106-V331 HydrophobicContact CB-CG1 4.36Å; V106-V331 HydrophobicContact CG1-CG1 4.05Å; V106-V331 HydrophobicContact CG2-CG1 4.08Å; V106-V331 HydrophobicContact CG2-CG2 4.45Å; V195-V331 HydrophobicContact CG2-CG1 4.48Å; L327-V331 WeakPolarHBondContact O-CB 3.43Å; L327-V331 WeakPolarHBondContact O-CG2 3.24Å; L327-V331 PolarHBondContact O-N 2.7Å; V328-V331 PolarHBondContact O-N 2.73Å; N329-V331 PolarHBondContact O-N 3.27Å; V331-G334 PolarHBondContact O-N 2.61Å; V331-L335 HydrophobicContact CG1-CD1 3.71Å; V331-L335 HydrophobicContact CG1-CG 4.2Å; V331-L335 WeakPolarHBondContact O-CB 3.33Å; V331-L335 VanDerWaalsContact O-CG 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.46Å; V331-L335 PolarHBondContact O-N 3.45Å |
| 332 | L | 92.4 | Very high | 81.3 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 178.6 | 177.5 | 61.7 | 0 | 0 | 0 | 112.3 | N192 V328 N329 G334 L335 N336 | N192-L332 HydrophobicContact CB-CD1 4.19Å; N192-L332 VanDerWaalsContact N-CD1 3.27Å; N192-L332 WeakPolarHBondContact OD1-CD1 3.43Å; V328-L332 VanDerWaalsContact O-CB 3.27Å; V328-L332 WeakPolarHBondContact O-CB 3.45Å; V328-L332 PolarHBondContact O-N 3.28Å; N329-L332 PolarHBondContact O-N 2.89Å; L332-G334 VanDerWaalsContact C-N 3.33Å; L332-G334 PolarHBondContact O-N 3.35Å; L332-L335 PolarHBondContact O-N 2.96Å; L332-N336 VanDerWaalsContact CD1-ND2 3.29Å; L332-N336 WeakPolarHBondContact CD1-ND2 3.3Å; L332-N336 PolarHBondContact O-N 2.91Å; L332-N336 PolarHBondContact O-ND2 3.45Å |
| 333 | E | 89.9 | Confident | 79.5 | Confident | 97 Ų | 97 | 76.6 Ų | 76.6 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 173 | -82 | -167.9 | -148.4 | 0 | 0 | 111.6 | N329 N336 R337 | N329-E333 PolarHBondContact O-N 2.57Å; E333-N336 PolarHBondContact O-N 2.81Å; E333-R337 WeakPolarHBondContact O-CG 3.25Å; E333-R337 PolarHBondContact O-N 2.82Å; E333-R337 VanDerWaalsContact O-N 3.16Å; E333-R337 IonicContact OE2-CZ 3.42Å; E333-R337 IonicContact OE2-NH1 3.67Å; E333-R337 PolarHBondContact OE2-NH1 2.87Å; E333-R337 IonicContact OE2-NH2 2.87Å; E333-R337 PolarHBondContact OE2-NH2 3.05Å |
| 334 | G | 91.4 | Very high | 77.2 | Confident | 21 Ų | 21 | 82.4 Ų | 82.4 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A103 N330 V331 L332 N336 R337 L338 | A103-G334 VanDerWaalsContact CB-C 3.45Å; N330-G334 PolarHBondContact O-N 3.26Å; N330-G334 VanDerWaalsContact O-N 3.11Å; V331-G334 PolarHBondContact O-N 2.61Å; L332-G334 VanDerWaalsContact C-N 3.33Å; L332-G334 PolarHBondContact O-N 3.35Å; G334-N336 VanDerWaalsContact C-N 3.26Å; G334-N336 PolarHBondContact O-N 3.04Å; G334-R337 PolarHBondContact O-N 3.03Å; G334-L338 WeakPolarHBondContact O-CG 3.46Å; G334-L338 PolarHBondContact O-N 3.34Å; G334-L338 VanDerWaalsContact O-N 3.09Å |
| 335 | L | 92.9 | Very high | 75.2 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.6 | -29 | -178.8 | -73 | 171 | 0 | 0 | 0 | 113.4 | A103 V106 E107 R190 I194 V195 V331 L332 L338 | A103-L335 HydrophobicContact CB-CD2 4.19Å; A103-L335 HydrophobicContact CB-CG 4.04Å; A103-L335 WeakPolarHBondContact O-CD2 3.46Å; V106-L335 HydrophobicContact CB-CD2 4.4Å; V106-L335 HydrophobicContact CG1-CD1 4.13Å; V106-L335 HydrophobicContact CG1-CD2 4.35Å; E107-L335 HydrophobicContact CB-CD2 3.96Å; R190-L335 PolarHBondContact NH1-O 3.18Å; I194-L335 HydrophobicContact CB-CD1 4.18Å; I194-L335 HydrophobicContact CD1-CD2 4.25Å; I194-L335 HydrophobicContact CG2-CD1 3.83Å; I194-L335 HydrophobicContact CG2-CD2 4.2Å; V195-L335 HydrophobicContact CG2-CD1 4Å; V331-L335 HydrophobicContact CG1-CD1 3.71Å; V331-L335 HydrophobicContact CG1-CG 4.2Å; V331-L335 WeakPolarHBondContact O-CB 3.33Å; V331-L335 VanDerWaalsContact O-CG 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.46Å; V331-L335 PolarHBondContact O-N 3.45Å; L332-L335 PolarHBondContact O-N 2.96Å; L335-L338 HydrophobicContact CD2-CD1 4.34Å |
| 336 | N | 92.3 | Very high | 72.9 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 35% | 0.353 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -82.6 | -16.7 | 174.5 | -70.3 | -53.6 | 0 | 0 | 0 | 113.5 | R190 G191 L332 E333 G334 | R190-N336 PolarHBondContact N-OD1 2.88Å; G191-N336 PolarHBondContact N-OD1 3.2Å; L332-N336 VanDerWaalsContact CD1-ND2 3.29Å; L332-N336 WeakPolarHBondContact CD1-ND2 3.3Å; L332-N336 PolarHBondContact O-N 2.91Å; L332-N336 PolarHBondContact O-ND2 3.45Å; E333-N336 PolarHBondContact O-N 2.81Å; G334-N336 VanDerWaalsContact C-N 3.26Å; G334-N336 PolarHBondContact O-N 3.04Å |
| 337 | R | 90.3 | Very high | 70.5 | Confident | 188 Ų | 188 | 87.4 Ų | 87.4 | 71% | 0.709 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -93.5 | -14.7 | 174.3 | -72.5 | 178.5 | -174.8 | 133.3 | 12.6 | 113.6 | E333 G334 | E333-R337 WeakPolarHBondContact O-CG 3.25Å; E333-R337 PolarHBondContact O-N 2.82Å; E333-R337 VanDerWaalsContact O-N 3.16Å; E333-R337 IonicContact OE2-CZ 3.42Å; E333-R337 IonicContact OE2-NH1 3.67Å; E333-R337 PolarHBondContact OE2-NH1 2.87Å; E333-R337 IonicContact OE2-NH2 2.87Å; E333-R337 PolarHBondContact OE2-NH2 3.05Å; G334-R337 PolarHBondContact O-N 3.03Å |
| 338 | L | 87.5 | Confident | 68.1 | Low | 50 Ų | 50 | 93.1 Ų | 93.1 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -69.7 | 141.9 | 175.2 | -73.5 | 172.1 | 0 | 0 | 0 | 111.1 | A103 E107 G334 L335 | A103-L338 HydrophobicContact CB-CD1 4.14Å; E107-L338 HydrophobicContact CB-CD1 4.2Å; E107-L338 WeakPolarHBondContact OE2-CD1 3.43Å; G334-L338 WeakPolarHBondContact O-CG 3.46Å; G334-L338 PolarHBondContact O-N 3.34Å; G334-L338 VanDerWaalsContact O-N 3.09Å; L335-L338 HydrophobicContact CD2-CD1 4.34Å |
| 339 | P | 79.2 | Confident | 65.6 | Low | 96 Ų | 96 | 96.2 Ų | 96.2 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | trans | -63.1 | 145.5 | 176.1 | 28.1 | -34.9 | 0 | 0 | 0 | 110.6 | N341 | P339-N341 PolarHBondContact O-N 2.98Å; P339-N341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | L | 66.4 | Low | 63 | Low | 95 Ų | 95 | 98 Ų | 98 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | trans | -62.3 | 115.6 | 170.5 | -81.7 | 160.1 | 0 | 0 | 0 | 109.2 | Q342 | L340-Q342 HydrophobicContact CB-CG 4.43Å; L340-Q342 PolarHBondContact O-N 3.08Å | ||
| 341 | N | 56.2 | Low | 60.6 | Low | 81 Ų | 81 | 97.6 Ų | 97.6 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | trans | -70.8 | 65.3 | 172.6 | -83.6 | -52.9 | 0 | 0 | 0 | 111.4 | E107 P339 | E107-N341 PolarHBondContact OE1-ND2 3.41Å; P339-N341 PolarHBondContact O-N 2.98Å; P339-N341 VanDerWaalsContact O-N 3.13Å | ||
| 342 | Q | 44.5 | Very low | 58.1 | Low | 133 Ų | 133 | 104.7 Ų | 104.7 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | trans | -86.6 | 102 | 165.1 | -68.5 | -175 | 3.9 | 0 | 0 | 107.9 | L340 | L340-Q342 HydrophobicContact CB-CG 4.43Å; L340-Q342 PolarHBondContact O-N 3.08Å | ||
| 343 | G | 33.9 | Very low | 55.4 | Low | 67 Ų | 67 | 111.4 Ų | 111.4 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | trans | -64 | 136.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 344 | E | 29.2 | Very low | 52.6 | Low | 192 Ų | 192 | 110.4 Ų | 110.4 | 90% | 0.897 | 63% | 0.633 | S | S | * | * | trans | 63.2 | 93.9 | 174.9 | -53.6 | -171.8 | 157 | 0 | 0 | 116.5 | ||||
| 345 | L | 32.1 | Very low | 50 | Low | 158 Ų | 158 | 114.8 Ų | 114.8 | 83% | 0.827 | 66% | 0.66 | S | S | * | * | trans | -159.3 | 130.4 | 130.7 | -106.7 | 171.7 | 0 | 0 | 0 | 112 | ||||
| 346 | T | 32.8 | Very low | 47.1 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | trans | 59.7 | 126 | 167.1 | 55.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 347 | N | 30.5 | Very low | 44.7 | Very low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -86.6 | 138.3 | 156.7 | -49.2 | -71.7 | 0 | 0 | 0 | 109.2 | ||||
| 348 | N | 33 | Very low | 42.2 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | 175.1 | 162.2 | 142.8 | -93.2 | -16.2 | 0 | 0 | 0 | 111 | ||||
| 349 | S | 35.8 | Very low | 39.6 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | 67 | 119.9 | 172.9 | -52.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 350 | T | 32.7 | Very low | 37.4 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | 59.9 | 133.7 | 25.2 | 80.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 351 | S | 38.8 | Very low | 36.2 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 59.1 | 144.5 | 178.8 | 45.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 352 | D | 38.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | cis | -154.7 | 174.7 | -12.8 | -117.8 | -40.5 | 0 | 0 | 0 | 112.8 | ||||
| 353 | L | 35 | Very low | 35.1 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -71.4 | 124.5 | 170.3 | -72.8 | 166.6 | 0 | 0 | 0 | 111.9 | ||||
| 354 | G | 33 | Very low | 35.5 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 99.6 | 112.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 355 | S | 36.2 | Very low | 35.6 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | -152.2 | 128.7 | 127.3 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 356 | S | 32.4 | Very low | 35.9 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -95.3 | 117.1 | 165.4 | 171.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 357 | V | 41 | Very low | 36.1 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | trans | -149.2 | 144.9 | 172.4 | -123.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 358 | S | 37.2 | Very low | 36.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | 67.7 | 69.2 | 158.1 | -55.4 | 0 | 0 | 0 | 0 | 118.1 | Q360 | S358-Q360 PolarHBondContact O-N 2.93Š| ||
| 359 | S | 34.5 | Very low | 37.4 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -53.4 | 117.1 | 143.7 | -49.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 360 | Q | 32.8 | Very low | 38.2 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -179.7 | 99.7 | 154.7 | -106.1 | 163.2 | 65.2 | 0 | 0 | 112.3 | S358 | S358-Q360 PolarHBondContact O-N 2.93Š| ||
| 361 | S | 39.7 | Very low | 39.3 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -171.1 | 53.3 | 154 | -87.2 | 0 | 0 | 0 | 0 | 112 | R363 | S361-R363 PolarHBondContact O-N 2.86Å; S361-R363 VanDerWaalsContact O-N 3.12Å | ||
| 362 | L | 37.1 | Very low | 40.5 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -73.9 | 95.8 | 159.7 | -73.6 | 174.4 | 0 | 0 | 0 | 108.3 | S364 | L362-S364 WeakPolarHBondContact O-CB 3.45Š| ||
| 363 | R | 40.9 | Very low | 42.2 | Very low | 232 Ų | 232 | 128.4 Ų | 128.4 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -94.1 | 75.2 | 160.8 | -67.4 | -175.8 | -178.2 | -179.7 | 0.4 | 107.8 | S361 | S361-R363 PolarHBondContact O-N 2.86Å; S361-R363 VanDerWaalsContact O-N 3.12Å | ||
| 364 | S | 42 | Very low | 43.8 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 60.8 | 94.7 | 79.6 | 81.5 | 0 | 0 | 0 | 0 | 113.6 | L362 | L362-S364 WeakPolarHBondContact O-CB 3.45Š| |||
| 365 | L | 32.5 | Very low | 45.8 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 60 | 81.5 | 142.1 | -52.7 | -178.9 | 0 | 0 | 0 | 118.5 | L368 | L365-L368 HydrophobicContact CD2-CD1 3.83Å; L365-L368 HydrophobicContact CD2-CG 4.31Å | ||
| 366 | H | 37.6 | Very low | 47.9 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -139.1 | 129.7 | 142 | -164.5 | -73.3 | 0 | 0 | 0 | 108.7 | ||
| 367 | N | 37.8 | Very low | 50.2 | Low | 95 Ų | 95 | 125 Ų | 125 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | trans | 97.4 | 38.6 | -175.6 | -55.8 | -10.5 | 0 | 0 | 0 | 118.8 | C369 N370 | N367-C369 PolarHBondContact O-N 2.77Å; N367-N370 PolarHBondContact O-N 3.12Å | ||
| 368 | L | 42.9 | Very low | 51.9 | Low | 150 Ų | 150 | 126.1 Ų | 126.1 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 36.4 | 161.8 | -82.4 | 172.6 | 0 | 0 | 0 | 113.6 | L365 | L365-L368 HydrophobicContact CD2-CD1 3.83Å; L365-L368 HydrophobicContact CD2-CG 4.31Å |
| 369 | C | 47.9 | Very low | 54.1 | Low | 118 Ų | 118 | 124.2 Ų | 124.2 | 80% | 0.797 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.7 | -4 | 178.1 | -142.8 | 0 | 0 | 0 | 0 | 113.1 | N367 | N367-C369 PolarHBondContact O-N 2.77Š|
| 370 | N | 51.9 | Low | 56.6 | Low | 77 Ų | 77 | 124.6 Ų | 124.6 | 41% | 0.412 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -109.7 | -5.5 | -178.1 | -61.7 | 5.4 | 0 | 0 | 0 | 113.1 | N367 D372 E373 E374 | N367-N370 PolarHBondContact O-N 3.12Å; N370-D372 PolarHBondContact O-N 3.39Å; N370-E373 WeakPolarHBondContact O-CB 3.46Å; N370-E373 PolarHBondContact O-N 3.19Å; N370-E373 VanDerWaalsContact O-N 3.08Å; N370-E374 PolarHBondContact O-N 3.37Å; N370-E374 VanDerWaalsContact O-N 3.14Å |
| 371 | A | 56.2 | Low | 59.2 | Low | 55 Ų | 55 | 121.5 Ų | 121.5 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.3 | -43.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E373 E374 L375 | A371-E373 PolarHBondContact O-N 3.42Å; A371-E374 PolarHBondContact O-N 3.17Å; A371-L375 WeakPolarHBondContact O-CB 3.38Å; A371-L375 PolarHBondContact O-N 3.3Å |
| 372 | D | 64.4 | Low | 61.5 | Low | 138 Ų | 138 | 123.3 Ų | 123.3 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.8 | -32.1 | 177.2 | -61.4 | -45.3 | 0 | 0 | 0 | 112.1 | N370 A376 | N370-D372 PolarHBondContact O-N 3.39Å; D372-A376 WeakPolarHBondContact O-CB 3.49Å; D372-A376 PolarHBondContact O-N 2.83Å |
| 373 | E | 72.5 | Confident | 64 | Low | 125 Ų | 125 | 124 Ų | 124 | 58% | 0.584 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.7 | -29.5 | 179 | -143.3 | -165.4 | -122.7 | 0 | 0 | 112.2 | N370 A371 K377 | N370-E373 WeakPolarHBondContact O-CB 3.46Å; N370-E373 PolarHBondContact O-N 3.19Å; N370-E373 VanDerWaalsContact O-N 3.08Å; A371-E373 PolarHBondContact O-N 3.42Å; E373-K377 WeakPolarHBondContact O-CD 3.36Å; E373-K377 WeakPolarHBondContact O-CE 3.45Å; E373-K377 WeakPolarHBondContact O-CG 3.31Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE2-CE 3.47Å; E373-K377 IonicContact OE2-NZ 3.86Å; E373-K377 PolarHBondContact OE2-NZ 3.36Å |
| 374 | E | 68.7 | Low | 66.4 | Low | 137 Ų | 137 | 118.8 Ų | 118.8 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.1 | -43.1 | 168.1 | -73.7 | -169 | 118.6 | 0 | 0 | 111.7 | N370 A371 A376 K377 E378 | N370-E374 PolarHBondContact O-N 3.37Å; N370-E374 VanDerWaalsContact O-N 3.14Å; A371-E374 PolarHBondContact O-N 3.17Å; E374-A376 VanDerWaalsContact C-N 3.32Å; E374-A376 PolarHBondContact O-N 2.89Å; E374-K377 PolarHBondContact O-N 3.28Å; E374-K377 VanDerWaalsContact O-N 3.13Å; E374-E378 PolarHBondContact O-N 2.91Å |
| 375 | L | 75.6 | Confident | 68.7 | Low | 116 Ų | 116 | 118.3 Ų | 118.3 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.2 | -36.9 | 179.4 | -134.5 | 158.6 | 0 | 0 | 0 | 111.8 | A371 S379 | A371-L375 WeakPolarHBondContact O-CB 3.38Å; A371-L375 PolarHBondContact O-N 3.3Å; L375-S379 WeakPolarHBondContact O-CB 3.38Å; L375-S379 PolarHBondContact O-N 3.48Å |
| 376 | A | 81 | Confident | 71.5 | Confident | 54 Ų | 54 | 114 Ų | 114 | 45% | 0.446 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.3 | -47.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D372 E374 E378 S379 E380 | D372-A376 WeakPolarHBondContact O-CB 3.49Å; D372-A376 PolarHBondContact O-N 2.83Å; E374-A376 VanDerWaalsContact C-N 3.32Å; E374-A376 PolarHBondContact O-N 2.89Å; A376-E378 VanDerWaalsContact C-N 3.35Å; A376-E378 PolarHBondContact O-N 3.13Å; A376-S379 WeakPolarHBondContact O-CB 3.23Å; A376-S379 PolarHBondContact O-N 2.9Å; A376-E380 PolarHBondContact O-N 2.76Å |
| 377 | K | 80.2 | Confident | 74.2 | Confident | 108 Ų | 108 | 110.5 Ų | 110.5 | 47% | 0.47 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.2 | -37.5 | 178.6 | -68.9 | 160.2 | -161.5 | 156.1 | 0 | 112.2 | E373 E374 Y381 | E373-K377 WeakPolarHBondContact O-CD 3.36Å; E373-K377 WeakPolarHBondContact O-CE 3.45Å; E373-K377 WeakPolarHBondContact O-CG 3.31Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE2-CE 3.47Å; E373-K377 IonicContact OE2-NZ 3.86Å; E373-K377 PolarHBondContact OE2-NZ 3.36Å; E374-K377 PolarHBondContact O-N 3.28Å; E374-K377 VanDerWaalsContact O-N 3.13Å; K377-Y381 VanDerWaalsContact O-CB 3.3Å; K377-Y381 WeakPolarHBondContact O-CB 3.29Å; K377-Y381 PolarHBondContact O-N 3.37Å |
| 378 | E | 77.2 | Confident | 76.7 | Confident | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.7 | -40 | 175.6 | -172 | 164.5 | -137.8 | 0 | 0 | 111.8 | E374 A376 Y381 Y382 | E374-E378 PolarHBondContact O-N 2.91Å; A376-E378 VanDerWaalsContact C-N 3.35Å; A376-E378 PolarHBondContact O-N 3.13Å; E378-Y381 PolarHBondContact O-N 3.49Å; E378-Y382 WeakPolarHBondContact O-CB 3.44Å; E378-Y382 PolarHBondContact O-N 2.88Å |
| 379 | S | 82.5 | Confident | 79.1 | Confident | 71 Ų | 71 | 111.3 Ų | 111.3 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | L375 A376 Y382 R383 | L375-S379 WeakPolarHBondContact O-CB 3.38Å; L375-S379 PolarHBondContact O-N 3.48Å; A376-S379 WeakPolarHBondContact O-CB 3.23Å; A376-S379 PolarHBondContact O-N 2.9Å; S379-Y382 PolarHBondContact O-N 3.24Å; S379-R383 PolarHBondContact O-N 3.03Å |
| 380 | E | 88 | Confident | 81.3 | Confident | 124 Ų | 124 | 110.8 Ų | 110.8 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 173.5 | -72.6 | -157.7 | 146.7 | 0 | 0 | 112.2 | A376 Y382 R383 Q384 | A376-E380 PolarHBondContact O-N 2.76Å; E380-Y382 VanDerWaalsContact C-N 3.32Å; E380-Y382 PolarHBondContact O-N 2.85Å; E380-R383 WeakPolarHBondContact O-CB 3.47Å; E380-R383 PolarHBondContact O-N 3.4Å; E380-Q384 WeakPolarHBondContact O-CG 3.45Å; E380-Q384 PolarHBondContact O-N 3.49Å |
| 381 | Y | 86.1 | Confident | 83.2 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 176.2 | -179.6 | -109.5 | 0 | 0 | 0 | 111.7 | K377 E378 Q384 L385 | K377-Y381 VanDerWaalsContact O-CB 3.3Å; K377-Y381 WeakPolarHBondContact O-CB 3.29Å; K377-Y381 PolarHBondContact O-N 3.37Å; E378-Y381 PolarHBondContact O-N 3.49Å; Y381-Q384 PolarHBondContact O-N 3.38Å; Y381-L385 HydrophobicContact CD1-CD1 4.03Å; Y381-L385 HydrophobicContact CE1-CD1 3.61Å; Y381-L385 HydrophobicContact CE1-CG 4.27Å; Y381-L385 WeakPolarHBondContact O-CG 3.43Å; Y381-L385 PolarHBondContact O-N 3.33Å |
| 382 | Y | 88.7 | Confident | 84.8 | Confident | 148 Ų | 148 | 113.1 Ų | 113.1 | 58% | 0.58 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 172.6 | -176.7 | -103.7 | 0 | 0 | 0 | 112.4 | E378 S379 E380 Q384 L385 L386 | E378-Y382 WeakPolarHBondContact O-CB 3.44Å; E378-Y382 PolarHBondContact O-N 2.88Å; S379-Y382 PolarHBondContact O-N 3.24Å; E380-Y382 VanDerWaalsContact C-N 3.32Å; E380-Y382 PolarHBondContact O-N 2.85Å; Y382-Q384 PolarHBondContact O-N 3.12Å; Y382-L385 PolarHBondContact O-N 3.27Å; Y382-L386 HydrophobicContact CD1-CD1 3.94Å; Y382-L386 HydrophobicContact CD1-CG 4.49Å; Y382-L386 HydrophobicContact CE1-CD1 3.44Å; Y382-L386 VanDerWaalsContact CE1-CD1 3.44Å; Y382-L386 HydrophobicContact CE1-CG 4.1Å; Y382-L386 PolarHBondContact O-N 2.9Å |
| 383 | R | 90.4 | Very high | 86.1 | Confident | 186 Ų | 186 | 109.9 Ų | 109.9 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 171.4 | -87.6 | -179.8 | 55.9 | 82.9 | -0.2 | 112.5 | S379 E380 L386 N387 | S379-R383 PolarHBondContact O-N 3.03Å; E380-R383 WeakPolarHBondContact O-CB 3.47Å; E380-R383 PolarHBondContact O-N 3.4Å; R383-L386 PolarHBondContact O-N 2.91Å; R383-N387 PolarHBondContact O-N 3.31Å |
| 384 | Q | 91.6 | Very high | 87.1 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 176.9 | -69.7 | 173.7 | 29.4 | 0 | 0 | 111.6 | E380 Y381 Y382 N387 K388 | E380-Q384 WeakPolarHBondContact O-CG 3.45Å; E380-Q384 PolarHBondContact O-N 3.49Å; Y381-Q384 PolarHBondContact O-N 3.38Å; Y382-Q384 PolarHBondContact O-N 3.12Å; Q384-N387 PolarHBondContact O-N 3Å; Q384-K388 WeakPolarHBondContact O-CB 3.22Å; Q384-K388 PolarHBondContact O-N 3.33Å |
| 385 | L | 89.7 | Confident | 88.2 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.7 | -71.6 | 175.3 | 0 | 0 | 0 | 112.5 | Y381 Y382 K388 R389 | Y381-L385 HydrophobicContact CD1-CD1 4.03Å; Y381-L385 HydrophobicContact CE1-CD1 3.61Å; Y381-L385 HydrophobicContact CE1-CG 4.27Å; Y381-L385 WeakPolarHBondContact O-CG 3.43Å; Y381-L385 PolarHBondContact O-N 3.33Å; Y382-L385 PolarHBondContact O-N 3.27Å; L385-K388 PolarHBondContact O-N 3.06Å; L385-R389 PolarHBondContact O-N 2.97Å |
| 386 | L | 91.4 | Very high | 88.9 | Confident | 55 Ų | 55 | 106.9 Ų | 106.9 | 29% | 0.288 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.4 | -78.1 | 176 | 0 | 0 | 0 | 112.4 | Y382 R383 R389 Q390 | Y382-L386 HydrophobicContact CD1-CD1 3.94Å; Y382-L386 HydrophobicContact CD1-CG 4.49Å; Y382-L386 HydrophobicContact CE1-CD1 3.44Å; Y382-L386 VanDerWaalsContact CE1-CD1 3.44Å; Y382-L386 HydrophobicContact CE1-CG 4.1Å; Y382-L386 PolarHBondContact O-N 2.9Å; R383-L386 PolarHBondContact O-N 2.91Å; L386-R389 WeakPolarHBondContact O-CB 3.23Å; L386-R389 PolarHBondContact O-N 3.42Å; L386-Q390 PolarHBondContact O-N 2.94Å |
| 387 | N | 92.9 | Very high | 89.3 | Confident | 99 Ų | 99 | 111.4 Ų | 111.4 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.2 | -176.3 | -91.6 | 0 | 0 | 0 | 111.1 | R383 Q384 R389 Q390 T391 | R383-N387 PolarHBondContact O-N 3.31Å; Q384-N387 PolarHBondContact O-N 3Å; N387-R389 VanDerWaalsContact C-N 3.28Å; N387-R389 PolarHBondContact O-N 3.46Å; N387-Q390 PolarHBondContact O-N 3.4Å; N387-Q390 VanDerWaalsContact O-N 3.13Å; N387-T391 PolarHBondContact O-N 2.9Å; N387-T391 PolarHBondContact O-OG1 3Å |
| 388 | K | 92 | Very high | 89.9 | Confident | 126 Ų | 126 | 111 Ų | 111 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 175.5 | -168.3 | 170.4 | -174.1 | 171.6 | 0 | 112.3 | Q384 L385 L392 | Q384-K388 WeakPolarHBondContact O-CB 3.22Å; Q384-K388 PolarHBondContact O-N 3.33Å; L385-K388 PolarHBondContact O-N 3.06Å; K388-L392 HydrophobicContact CG-CD1 4.3Å; K388-L392 VanDerWaalsContact O-CG 3.28Å; K388-L392 WeakPolarHBondContact O-CG 3.4Å; K388-L392 PolarHBondContact O-N 3.34Å |
| 389 | R | 92.2 | Very high | 90.5 | Very high | 136 Ų | 136 | 109.2 Ų | 109.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 172.8 | -164.4 | -170.4 | 77 | -149 | -3.9 | 111.1 | L385 L386 N387 T391 L392 E393 | L385-R389 PolarHBondContact O-N 2.97Å; L386-R389 WeakPolarHBondContact O-CB 3.23Å; L386-R389 PolarHBondContact O-N 3.42Å; N387-R389 VanDerWaalsContact C-N 3.28Å; N387-R389 PolarHBondContact O-N 3.46Å; R389-T391 VanDerWaalsContact C-N 3.33Å; R389-T391 PolarHBondContact O-N 2.88Å; R389-L392 PolarHBondContact O-N 3.01Å; R389-L392 VanDerWaalsContact O-N 3.17Å; R389-E393 HydrophobicContact CG-CG 4.5Å; R389-E393 WeakPolarHBondContact CG-OE1 3.38Å; R389-E393 IonicContact CZ-OE1 3.57Å; R389-E393 IonicContact NE-OE1 2.7Å; R389-E393 PolarHBondContact NE-OE1 3.33Å; R389-E393 IonicContact NH2-OE1 3.48Å; R389-E393 WeakPolarHBondContact O-CG 3.14Å; R389-E393 PolarHBondContact O-N 2.93Å |
| 390 | Q | 93.3 | Very high | 90.8 | Very high | 108 Ų | 108 | 108.7 Ų | 108.7 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 178.4 | -70.4 | 174.7 | -31.5 | 0 | 0 | 112.2 | L386 N387 L392 E393 L394 | L386-Q390 PolarHBondContact O-N 2.94Å; N387-Q390 PolarHBondContact O-N 3.4Å; N387-Q390 VanDerWaalsContact O-N 3.13Å; Q390-L392 PolarHBondContact O-N 3.44Å; Q390-E393 PolarHBondContact O-N 2.88Å; Q390-L394 WeakPolarHBondContact O-CG 3.18Å; Q390-L394 PolarHBondContact O-N 3.44Å |
| 391 | T | 92.3 | Very high | 90.9 | Very high | 79 Ų | 79 | 109.6 Ų | 109.6 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.6 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | N387 R389 L394 L395 | N387-T391 PolarHBondContact O-N 2.9Å; N387-T391 PolarHBondContact O-OG1 3Å; R389-T391 VanDerWaalsContact C-N 3.33Å; R389-T391 PolarHBondContact O-N 2.88Å; T391-L394 PolarHBondContact O-N 3.34Å; T391-L395 WeakPolarHBondContact O-CB 3.29Å; T391-L395 PolarHBondContact O-N 2.81Å |
| 392 | L | 91 | Very high | 91.1 | Very high | 101 Ų | 101 | 106.9 Ų | 106.9 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 176.8 | -70.6 | 168.9 | 0 | 0 | 0 | 112.3 | K388 R389 Q390 L394 L395 L396 | K388-L392 HydrophobicContact CG-CD1 4.3Å; K388-L392 VanDerWaalsContact O-CG 3.28Å; K388-L392 WeakPolarHBondContact O-CG 3.4Å; K388-L392 PolarHBondContact O-N 3.34Å; R389-L392 PolarHBondContact O-N 3.01Å; R389-L392 VanDerWaalsContact O-N 3.17Å; Q390-L392 PolarHBondContact O-N 3.44Å; L392-L394 VanDerWaalsContact C-N 3.31Å; L392-L394 PolarHBondContact O-N 2.97Å; L392-L395 PolarHBondContact O-N 3.17Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 PolarHBondContact O-N 3.44Å |
| 393 | E | 91 | Very high | 91.2 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -32 | 174.3 | -71.7 | 177.7 | -137.7 | 0 | 0 | 112.7 | R389 Q390 R397 | R389-E393 HydrophobicContact CG-CG 4.5Å; R389-E393 WeakPolarHBondContact CG-OE1 3.38Å; R389-E393 IonicContact CZ-OE1 3.57Å; R389-E393 IonicContact NE-OE1 2.7Å; R389-E393 PolarHBondContact NE-OE1 3.33Å; R389-E393 IonicContact NH2-OE1 3.48Å; R389-E393 WeakPolarHBondContact O-CG 3.14Å; R389-E393 PolarHBondContact O-N 2.93Å; Q390-E393 PolarHBondContact O-N 2.88Å; E393-R397 VanDerWaalsContact C-NH1 3.31Å; E393-R397 WeakPolarHBondContact O-CG 3.47Å; E393-R397 PolarHBondContact O-N 3.49Å; E393-R397 PolarHBondContact O-NH1 3.29Å; E393-R397 IonicContact OE2-NH1 2.75Å; E393-R397 IonicContact OE2-NH2 2.89Å |
| 394 | L | 92.9 | Very high | 91 | Very high | 116 Ų | 116 | 96.3 Ų | 96.3 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -73.5 | -46.7 | 173.6 | -72 | 171.5 | 0 | 0 | 0 | 111.3 | Q390 T391 L392 L396 R397 E398 | Q390-L394 WeakPolarHBondContact O-CG 3.18Å; Q390-L394 PolarHBondContact O-N 3.44Å; T391-L394 PolarHBondContact O-N 3.34Å; L392-L394 VanDerWaalsContact C-N 3.31Å; L392-L394 PolarHBondContact O-N 2.97Å; L394-L396 VanDerWaalsContact C-N 3.27Å; L394-L396 PolarHBondContact O-N 3.06Å; L394-R397 PolarHBondContact O-N 3.04Å; L394-R397 VanDerWaalsContact O-N 3.13Å; L394-E398 PolarHBondContact O-N 3.03Å |
| 395 | L | 92.9 | Very high | 90.9 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.8 | -171.2 | 70.8 | 0 | 0 | 0 | 112 | T391 L392 E398 K399 | T391-L395 WeakPolarHBondContact O-CB 3.29Å; T391-L395 PolarHBondContact O-N 2.81Å; L392-L395 PolarHBondContact O-N 3.17Å; L395-E398 PolarHBondContact O-N 3.47Å; L395-K399 WeakPolarHBondContact O-CG 3.24Å; L395-K399 PolarHBondContact O-N 3.28Å |
| 396 | L | 89.7 | Confident | 90.9 | Very high | 109 Ų | 109 | 94 Ų | 94 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 174.8 | 179.6 | 60.6 | 0 | 0 | 0 | 112.1 | L392 L394 E398 K399 L400 | L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 PolarHBondContact O-N 3.44Å; L394-L396 VanDerWaalsContact C-N 3.27Å; L394-L396 PolarHBondContact O-N 3.06Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.48Å; L396-K399 PolarHBondContact O-N 3.24Å; L396-L400 HydrophobicContact CD1-CD1 4.25Å; L396-L400 HydrophobicContact CD1-CG 4.27Å; L396-L400 HydrophobicContact CG-CD1 4.18Å; L396-L400 VanDerWaalsContact O-CG 3.32Å; L396-L400 WeakPolarHBondContact O-CG 3.37Å; L396-L400 PolarHBondContact O-N 3.5Å |
| 397 | R | 89.1 | Confident | 90.7 | Very high | 148 Ų | 148 | 91.5 Ų | 91.5 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.9 | -38.9 | 176.7 | -70.7 | 176.2 | -175.7 | 96.4 | -7.6 | 111.7 | E393 L394 K401 | E393-R397 VanDerWaalsContact C-NH1 3.31Å; E393-R397 WeakPolarHBondContact O-CG 3.47Å; E393-R397 PolarHBondContact O-N 3.49Å; E393-R397 PolarHBondContact O-NH1 3.29Å; E393-R397 IonicContact OE2-NH1 2.75Å; E393-R397 IonicContact OE2-NH2 2.89Å; L394-R397 PolarHBondContact O-N 3.04Å; L394-R397 VanDerWaalsContact O-N 3.13Å; R397-K401 PolarHBondContact O-N 3.44Å |
| 398 | E | 92.2 | Very high | 90.3 | Very high | 100 Ų | 100 | 88.8 Ų | 88.8 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 173.5 | -171.6 | -165.7 | -132.9 | 0 | 0 | 111.4 | L394 L395 L396 L400 K401 D402 | L394-E398 PolarHBondContact O-N 3.03Å; L395-E398 PolarHBondContact O-N 3.47Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.48Å; E398-L400 VanDerWaalsContact C-N 3.33Å; E398-L400 PolarHBondContact O-N 2.88Å; E398-K401 WeakPolarHBondContact O-CA 3.49Å; E398-K401 VanDerWaalsContact O-CB 3.3Å; E398-K401 WeakPolarHBondContact O-CB 3.39Å; E398-K401 PolarHBondContact O-N 3.05Å; E398-D402 PolarHBondContact O-N 3.38Å |
| 399 | K | 91.7 | Very high | 90 | Very high | 101 Ų | 101 | 88.9 Ų | 88.9 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.3 | -27.4 | -176.6 | -66.7 | -73.8 | 155.2 | -80.9 | 0 | 113.7 | L395 L396 D402 L403 | L395-K399 WeakPolarHBondContact O-CG 3.24Å; L395-K399 PolarHBondContact O-N 3.28Å; L396-K399 PolarHBondContact O-N 3.24Å; K399-D402 IonicContact NZ-OD2 3.55Å; K399-D402 PolarHBondContact NZ-OD2 3.48Å; K399-L403 WeakPolarHBondContact O-CB 3.19Å; K399-L403 PolarHBondContact O-N 3.29Å |
| 400 | L | 88.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 86.8 Ų | 86.8 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 168.6 | -68.4 | 171.3 | 0 | 0 | 0 | 111.9 | L396 E398 L403 K404 | L396-L400 HydrophobicContact CD1-CD1 4.25Å; L396-L400 HydrophobicContact CD1-CG 4.27Å; L396-L400 HydrophobicContact CG-CD1 4.18Å; L396-L400 VanDerWaalsContact O-CG 3.32Å; L396-L400 WeakPolarHBondContact O-CG 3.37Å; L396-L400 PolarHBondContact O-N 3.5Å; E398-L400 VanDerWaalsContact C-N 3.33Å; E398-L400 PolarHBondContact O-N 2.88Å; L400-L403 PolarHBondContact O-N 3.16Å; L400-K404 WeakPolarHBondContact O-CB 3.46Å; L400-K404 PolarHBondContact O-N 3.09Å |
| 401 | K | 89.7 | Confident | 89.1 | Confident | 143 Ų | 143 | 81.6 Ų | 81.6 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 172.9 | -171.8 | -174.4 | 178.9 | -173.3 | 0 | 111.6 | R397 E398 N405 | R397-K401 PolarHBondContact O-N 3.44Å; E398-K401 WeakPolarHBondContact O-CA 3.49Å; E398-K401 VanDerWaalsContact O-CB 3.3Å; E398-K401 WeakPolarHBondContact O-CB 3.39Å; E398-K401 PolarHBondContact O-N 3.05Å; K401-N405 VanDerWaalsContact O-CG 3.26Å; K401-N405 PolarHBondContact O-N 3.26Å; K401-N405 VanDerWaalsContact O-N 3.12Å; K401-N405 PolarHBondContact O-ND2 3.23Å |
| 402 | D | 90.9 | Very high | 88.6 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 35% | 0.353 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -50.4 | 173.6 | -67.6 | -24.5 | 0 | 0 | 0 | 111.5 | E398 K399 K404 N405 V406 | E398-D402 PolarHBondContact O-N 3.38Å; K399-D402 IonicContact NZ-OD2 3.55Å; K399-D402 PolarHBondContact NZ-OD2 3.48Å; D402-K404 VanDerWaalsContact C-N 3.35Å; D402-K404 PolarHBondContact O-N 2.89Å; D402-N405 WeakPolarHBondContact O-CB 3.35Å; D402-N405 PolarHBondContact O-N 3.19Å; D402-N405 VanDerWaalsContact O-N 3.12Å; D402-V406 WeakPolarHBondContact O-CG2 3.43Å; D402-V406 PolarHBondContact O-N 3.47Å |
| 403 | L | 89.2 | Confident | 87.9 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 178.8 | 178.5 | 59.6 | 0 | 0 | 0 | 111.8 | K399 L400 N405 V406 C407 E420 A424 | K399-L403 WeakPolarHBondContact O-CB 3.19Å; K399-L403 PolarHBondContact O-N 3.29Å; L400-L403 PolarHBondContact O-N 3.16Å; L403-N405 VanDerWaalsContact C-N 3.31Å; L403-N405 PolarHBondContact O-N 3.18Å; L403-V406 PolarHBondContact O-N 2.8Å; L403-V406 VanDerWaalsContact O-N 3.16Å; L403-C407 PolarHBondContact O-N 3.45Å; L403-C407 PolarHBondContact O-SG 3.03Å; L403-C407 VanDerWaalsContact O-SG 3.33Å; L403-E420 HydrophobicContact CD1-CB 4.35Å; L403-A424 HydrophobicContact CB-CB 4.4Å; L403-A424 HydrophobicContact CD2-CB 4.21Å; L403-A424 HydrophobicContact CG-CB 4.24Å |
| 404 | K | 87.4 | Confident | 86.9 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 22% | 0.217 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.7 | -43.1 | 175.6 | -179.7 | 175.7 | 175.1 | -177.4 | 0 | 112.4 | L400 D402 V408 L421 A424 E429 | L400-K404 WeakPolarHBondContact O-CB 3.46Å; L400-K404 PolarHBondContact O-N 3.09Å; D402-K404 VanDerWaalsContact C-N 3.35Å; D402-K404 PolarHBondContact O-N 2.89Å; K404-V408 WeakPolarHBondContact O-CG2 3.39Å; K404-V408 PolarHBondContact O-N 3.21Å; K404-V408 VanDerWaalsContact O-N 3.11Å; K404-L421 HydrophobicContact CB-CD1 4.37Å; K404-L421 HydrophobicContact CG-CD1 3.89Å; K404-A424 HydrophobicContact CB-CB 3.95Å; K404-E429 IonicContact NZ-OE1 3.31Å; K404-E429 PolarHBondContact NZ-OE1 2.98Å; K404-E429 IonicContact NZ-OE2 3.32Å; K404-E429 PolarHBondContact NZ-OE2 2.9Å |
| 405 | N | 89.9 | Confident | 85.9 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 176.6 | -68.3 | -30.3 | 0 | 0 | 0 | 111.6 | K401 D402 L403 V408 Q409 | K401-N405 VanDerWaalsContact O-CG 3.26Å; K401-N405 PolarHBondContact O-N 3.26Å; K401-N405 VanDerWaalsContact O-N 3.12Å; K401-N405 PolarHBondContact O-ND2 3.23Å; D402-N405 WeakPolarHBondContact O-CB 3.35Å; D402-N405 PolarHBondContact O-N 3.19Å; D402-N405 VanDerWaalsContact O-N 3.12Å; L403-N405 VanDerWaalsContact C-N 3.31Å; L403-N405 PolarHBondContact O-N 3.18Å; N405-V408 PolarHBondContact O-N 3.1Å; N405-Q409 WeakPolarHBondContact O-CG 2.98Å; N405-Q409 PolarHBondContact O-N 3.38Å |
| 406 | V | 88.4 | Confident | 85.1 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | D402 L403 V408 Q409 E410 | D402-V406 WeakPolarHBondContact O-CG2 3.43Å; D402-V406 PolarHBondContact O-N 3.47Å; L403-V406 PolarHBondContact O-N 2.8Å; L403-V406 VanDerWaalsContact O-N 3.16Å; V406-V408 VanDerWaalsContact C-N 3.28Å; V406-V408 PolarHBondContact O-N 3.41Å; V406-Q409 WeakPolarHBondContact O-CB 3.49Å; V406-Q409 PolarHBondContact O-N 2.94Å; V406-Q409 VanDerWaalsContact O-N 3.07Å; V406-E410 WeakPolarHBondContact O-CB 3.37Å; V406-E410 PolarHBondContact O-N 3.06Å |
| 407 | C | 87.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -34 | 179.3 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | L403 G411 P418 L421 | L403-C407 PolarHBondContact O-N 3.45Å; L403-C407 PolarHBondContact O-SG 3.03Å; L403-C407 VanDerWaalsContact O-SG 3.33Å; C407-G411 PolarHBondContact O-N 2.92Å; C407-P418 HydrophobicContact CB-CB 4.23Å; C407-P418 HydrophobicContact CB-CG 4.13Å; C407-P418 WeakPolarHBondContact O-CD 3.24Å; C407-L421 HydrophobicContact CB-CB 3.93Å; C407-L421 HydrophobicContact CB-CD1 4.04Å |
| 408 | V | 85.5 | Confident | 84.3 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.8 | -36.7 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | K404 N405 V406 N412 L421 P432 | K404-V408 WeakPolarHBondContact O-CG2 3.39Å; K404-V408 PolarHBondContact O-N 3.21Å; K404-V408 VanDerWaalsContact O-N 3.11Å; N405-V408 PolarHBondContact O-N 3.1Å; V406-V408 VanDerWaalsContact C-N 3.28Å; V406-V408 PolarHBondContact O-N 3.41Å; V408-N412 PolarHBondContact O-N 3.18Å; V408-N412 PolarHBondContact O-ND2 2.97Å; V408-L421 HydrophobicContact CG2-CD1 4.41Å; V408-P432 HydrophobicContact CG2-CB 4.03Å; V408-P432 HydrophobicContact CG2-CG 3.68Å |
| 409 | Q | 85.3 | Confident | 83.8 | Confident | 128 Ų | 128 | 68.7 Ų | 68.7 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.4 | -49.8 | 173.9 | -72.6 | 175.7 | 20.5 | 0 | 0 | 111.4 | N405 V406 G411 N412 I413 | N405-Q409 WeakPolarHBondContact O-CG 2.98Å; N405-Q409 PolarHBondContact O-N 3.38Å; V406-Q409 WeakPolarHBondContact O-CB 3.49Å; V406-Q409 PolarHBondContact O-N 2.94Å; V406-Q409 VanDerWaalsContact O-N 3.07Å; Q409-G411 PolarHBondContact O-N 3.49Å; Q409-N412 PolarHBondContact O-N 3Å; Q409-I413 WeakPolarHBondContact O-CG1 3.23Å; Q409-I413 PolarHBondContact O-N 3.38Å |
| 410 | E | 83.2 | Confident | 83.4 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.2 | -48.7 | 176.8 | 178.9 | 173.7 | -163.6 | 0 | 0 | 111.2 | V406 N412 I413 T414 P418 | V406-E410 WeakPolarHBondContact O-CB 3.37Å; V406-E410 PolarHBondContact O-N 3.06Å; E410-N412 VanDerWaalsContact C-N 3.28Å; E410-N412 PolarHBondContact O-N 3.32Å; E410-I413 CarbonylContact O-C 3.51Å; E410-I413 WeakPolarHBondContact O-CA 3.1Å; E410-I413 VanDerWaalsContact O-CB 3.31Å; E410-I413 WeakPolarHBondContact O-CB 3.42Å; E410-I413 PolarHBondContact O-N 3.12Å; E410-T414 HydrophobicContact CG-CG2 4.11Å; E410-T414 PolarHBondContact O-N 3.41Å; E410-T414 PolarHBondContact O-OG1 3.22Å; E410-P418 HydrophobicContact CB-CG 4.09Å; E410-P418 HydrophobicContact CG-CG 3.91Å; E410-P418 VanDerWaalsContact OE2-CG 3.31Å; E410-P418 WeakPolarHBondContact OE2-CG 3.36Å |
| 411 | G | 83.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C407 Q409 I413 T414 G415 E416 I434 | C407-G411 PolarHBondContact O-N 2.92Å; Q409-G411 PolarHBondContact O-N 3.49Å; G411-I413 PolarHBondContact O-N 2.95Å; G411-T414 WeakPolarHBondContact CA-OG1 3.42Å; G411-G415 VanDerWaalsContact O-CA 3.25Å; G411-G415 WeakPolarHBondContact O-CA 3.46Å; G411-G415 PolarHBondContact O-N 3.27Å; G411-E416 WeakPolarHBondContact CA-O 3.39Å; G411-I434 WeakPolarHBondContact O-CG2 3.26Å |
| 412 | N | 80.9 | Confident | 82.9 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 32% | 0.316 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.6 | -12.7 | 171.3 | -78.6 | -65.6 | 0 | 0 | 0 | 113.6 | V408 Q409 E410 R435 R437 | V408-N412 PolarHBondContact O-N 3.18Å; V408-N412 PolarHBondContact O-ND2 2.97Å; Q409-N412 PolarHBondContact O-N 3Å; E410-N412 VanDerWaalsContact C-N 3.28Å; E410-N412 PolarHBondContact O-N 3.32Å; N412-R435 PolarHBondContact OD1-N 3.34Å; N412-R437 PolarHBondContact O-NE 3.36Å; N412-R437 PolarHBondContact O-NH2 3.43Å |
| 413 | I | 75.9 | Confident | 82.4 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -91.6 | -46.9 | 172.7 | -63.5 | 165.1 | 0 | 0 | 0 | 111.1 | Q409 E410 G411 R437 | Q409-I413 WeakPolarHBondContact O-CG1 3.23Å; Q409-I413 PolarHBondContact O-N 3.38Å; E410-I413 CarbonylContact O-C 3.51Å; E410-I413 WeakPolarHBondContact O-CA 3.1Å; E410-I413 VanDerWaalsContact O-CB 3.31Å; E410-I413 WeakPolarHBondContact O-CB 3.42Å; E410-I413 PolarHBondContact O-N 3.12Å; G411-I413 PolarHBondContact O-N 2.95Å; I413-R437 WeakPolarHBondContact O-CD 3.14Å; I413-R437 VanDerWaalsContact O-CZ 3.26Å; I413-R437 PolarHBondContact O-NE 2.68Å |
| 414 | T | 71.3 | Confident | 82 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -78.2 | -40.7 | -179.1 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | E410 G411 E416 | E410-T414 HydrophobicContact CG-CG2 4.11Å; E410-T414 PolarHBondContact O-N 3.41Å; E410-T414 PolarHBondContact O-OG1 3.22Å; G411-T414 WeakPolarHBondContact CA-OG1 3.42Å; T414-E416 PolarHBondContact OG1-N 3.02Å; T414-E416 VanDerWaalsContact OG1-N 3.09Å; T414-E416 PolarHBondContact OG1-O 3.12Å |
| 415 | G | 72.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 95.6 | 1.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G411 R436 | G411-G415 VanDerWaalsContact O-CA 3.25Å; G411-G415 WeakPolarHBondContact O-CA 3.46Å; G411-G415 PolarHBondContact O-N 3.27Å; G415-R436 WeakPolarHBondContact O-CG 3.19Å |
| 416 | E | 75.8 | Confident | 81 | Confident | 155 Ų | 155 | 66.3 Ų | 66.3 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -132 | 151.3 | -176.1 | -61.7 | -173.5 | 160.7 | 0 | 0 | 110.4 | G411 T414 | G411-E416 WeakPolarHBondContact CA-O 3.39Å; T414-E416 PolarHBondContact OG1-N 3.02Å; T414-E416 VanDerWaalsContact OG1-N 3.09Å; T414-E416 PolarHBondContact OG1-O 3.12Å |
| 417 | I | 79 | Confident | 80.4 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | trans | -89.5 | 122.9 | -173.2 | -74.8 | 167.3 | 0 | 0 | 0 | 110.2 | L421 Y422 E431 I434 | I417-L421 HydrophobicContact CG2-CB 4.26Å; I417-L421 HydrophobicContact CG2-CD2 3.57Å; I417-Y422 HydrophobicContact CG2-CE2 4.39Å; I417-E431 HydrophobicContact CD1-CG 3.71Å; I417-E431 WeakPolarHBondContact CD1-OE1 3.45Å; I417-I434 HydrophobicContact CD1-CD1 4.39Å; I417-I434 HydrophobicContact CD1-CG1 4.16Å; I417-I434 HydrophobicContact CG1-CB 4.32Å; I417-I434 HydrophobicContact CG1-CD1 3.59Å; I417-I434 HydrophobicContact CG1-CG1 3.86Å | ||
| 418 | P | 81.6 | Confident | 79.9 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.104 | 41% | 0.409 | C | S | . | . | trans | -62.5 | 140 | 174.6 | -23.4 | 35 | 0 | 0 | 0 | 112 | C407 E410 E420 L421 | C407-P418 HydrophobicContact CB-CB 4.23Å; C407-P418 HydrophobicContact CB-CG 4.13Å; C407-P418 WeakPolarHBondContact O-CD 3.24Å; E410-P418 HydrophobicContact CB-CG 4.09Å; E410-P418 HydrophobicContact CG-CG 3.91Å; E410-P418 VanDerWaalsContact OE2-CG 3.31Å; E410-P418 WeakPolarHBondContact OE2-CG 3.36Å; P418-E420 WeakPolarHBondContact CB-OE2 3.43Å; P418-E420 PolarHBondContact O-N 2.8Å; P418-L421 VanDerWaalsContact O-CB 3.28Å; P418-L421 WeakPolarHBondContact O-CB 3.38Å; P418-L421 PolarHBondContact O-N 2.88Å; P418-L421 VanDerWaalsContact O-N 3.15Å | ||
| 419 | A | 82.8 | Confident | 79.7 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 55% | 0.554 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -66.5 | -23 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L421 Y422 | A419-L421 PolarHBondContact O-N 2.79Å; A419-Y422 WeakPolarHBondContact O-CD2 3.44Å; A419-Y422 PolarHBondContact O-N 3.47Å |
| 420 | E | 83.8 | Confident | 79.4 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -60.7 | -28.6 | 176 | -67.1 | 63.2 | -141.6 | 0 | 0 | 111.9 | L403 P418 Y422 R423 | L403-E420 HydrophobicContact CD1-CB 4.35Å; P418-E420 WeakPolarHBondContact CB-OE2 3.43Å; P418-E420 PolarHBondContact O-N 2.8Å; E420-Y422 PolarHBondContact O-N 3.44Å; E420-R423 WeakPolarHBondContact O-CB 3.4Å; E420-R423 PolarHBondContact O-N 3.2Å |
| 421 | L | 84.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -57.3 | -38 | 177.8 | -176.9 | 66.2 | 0 | 0 | 0 | 111.9 | K404 C407 V408 I417 P418 A419 R423 A424 L425 P432 | K404-L421 HydrophobicContact CB-CD1 4.37Å; K404-L421 HydrophobicContact CG-CD1 3.89Å; C407-L421 HydrophobicContact CB-CB 3.93Å; C407-L421 HydrophobicContact CB-CD1 4.04Å; V408-L421 HydrophobicContact CG2-CD1 4.41Å; I417-L421 HydrophobicContact CG2-CB 4.26Å; I417-L421 HydrophobicContact CG2-CD2 3.57Å; P418-L421 VanDerWaalsContact O-CB 3.28Å; P418-L421 WeakPolarHBondContact O-CB 3.38Å; P418-L421 PolarHBondContact O-N 2.88Å; P418-L421 VanDerWaalsContact O-N 3.15Å; A419-L421 PolarHBondContact O-N 2.79Å; L421-R423 PolarHBondContact O-N 3.31Å; L421-A424 WeakPolarHBondContact O-CA 3.39Å; L421-A424 PolarHBondContact O-N 3.16Å; L421-L425 HydrophobicContact CD1-CG 4.47Å; L421-L425 HydrophobicContact CG-CD1 4.2Å; L421-L425 HydrophobicContact CG-CG 4.2Å; L421-L425 PolarHBondContact O-N 3.48Å; L421-P432 HydrophobicContact CD2-CG 3.64Å |
| 422 | Y | 82.1 | Confident | 79 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 55% | 0.549 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -68.3 | -12 | 179.6 | -60.7 | -76.3 | 0 | 0 | 0 | 113.5 | I417 A419 E420 L425 E431 | I417-Y422 HydrophobicContact CG2-CE2 4.39Å; A419-Y422 WeakPolarHBondContact O-CD2 3.44Å; A419-Y422 PolarHBondContact O-N 3.47Å; E420-Y422 PolarHBondContact O-N 3.44Å; Y422-L425 HydrophobicContact CD1-CD1 4.34Å; Y422-E431 PolarHBondContact OH-OE1 2.84Å |
| 423 | R | 80.3 | Confident | 78.8 | Confident | 167 Ų | 167 | 83.2 Ų | 83.2 | 63% | 0.63 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -88.2 | -14.8 | 168.2 | -61.8 | -176.2 | 177.3 | -167.9 | -1.8 | 113.3 | E420 L421 | E420-R423 WeakPolarHBondContact O-CB 3.4Å; E420-R423 PolarHBondContact O-N 3.2Å; L421-R423 PolarHBondContact O-N 3.31Å |
| 424 | A | 80.4 | Confident | 78.6 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 11% | 0.107 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -16.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L403 K404 L421 | L403-A424 HydrophobicContact CB-CB 4.4Å; L403-A424 HydrophobicContact CD2-CB 4.21Å; L403-A424 HydrophobicContact CG-CB 4.24Å; K404-A424 HydrophobicContact CB-CB 3.95Å; L421-A424 WeakPolarHBondContact O-CA 3.39Å; L421-A424 PolarHBondContact O-N 3.16Å |
| 425 | L | 80 | Confident | 78.4 | Confident | 30 Ų | 30 | 84.7 Ų | 84.7 | 16% | 0.157 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -72.2 | 137.8 | 169 | -68.6 | 170.7 | 0 | 0 | 0 | 110.5 | L421 Y422 E429 | L421-L425 HydrophobicContact CD1-CG 4.47Å; L421-L425 HydrophobicContact CG-CD1 4.2Å; L421-L425 HydrophobicContact CG-CG 4.2Å; L421-L425 PolarHBondContact O-N 3.48Å; Y422-L425 HydrophobicContact CD1-CD1 4.34Å; L425-E429 HydrophobicContact CB-CB 4.48Å; L425-E429 HydrophobicContact CD2-CB 4.23Å; L425-E429 HydrophobicContact CD2-CG 4.03Å |
| 426 | A | 77.8 | Confident | 78.1 | Confident | 57 Ų | 57 | 94.4 Ų | 94.4 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | trans | -70.3 | 152.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G428 E429 | A426-G428 PolarHBondContact O-N 2.92Å; A426-E429 HydrophobicContact CB-CB 4.38Å; A426-E429 WeakPolarHBondContact O-CB 3.09Å; A426-E429 PolarHBondContact O-N 2.76Å | ||
| 427 | P | 74.9 | Confident | 77.4 | Confident | 145 Ų | 145 | 94.5 Ų | 94.5 | 94% | 0.942 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 114.5 | 175.6 | -26.5 | 35.6 | 0 | 0 | 0 | 111.9 | ||
| 428 | G | 77.5 | Confident | 76.7 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 92% | 0.918 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | -0.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A426 | A426-G428 PolarHBondContact O-N 2.92Š|
| 429 | E | 81.4 | Confident | 75.7 | Confident | 88 Ų | 88 | 96 Ų | 96 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 136.9 | 174.6 | -170.5 | 172.2 | -156.1 | 0 | 0 | 112.2 | K404 L425 A426 | K404-E429 IonicContact NZ-OE1 3.31Å; K404-E429 PolarHBondContact NZ-OE1 2.98Å; K404-E429 IonicContact NZ-OE2 3.32Å; K404-E429 PolarHBondContact NZ-OE2 2.9Å; L425-E429 HydrophobicContact CB-CB 4.48Å; L425-E429 HydrophobicContact CD2-CB 4.23Å; L425-E429 HydrophobicContact CD2-CG 4.03Å; A426-E429 HydrophobicContact CB-CB 4.38Å; A426-E429 WeakPolarHBondContact O-CB 3.09Å; A426-E429 PolarHBondContact O-N 2.76Å |
| 430 | A | 79.9 | Confident | 75.3 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 70% | 0.702 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 143.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 431 | E | 79.9 | Confident | 74.6 | Confident | 97 Ų | 97 | 95.5 Ų | 95.5 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 130.3 | 179.6 | -168.8 | 178.1 | -139.2 | 0 | 0 | 112 | I417 Y422 | I417-E431 HydrophobicContact CD1-CG 3.71Å; I417-E431 WeakPolarHBondContact CD1-OE1 3.45Å; Y422-E431 PolarHBondContact OH-OE1 2.84Å |
| 432 | P | 78.3 | Confident | 74.2 | Confident | 36 Ų | 36 | 99.9 Ų | 99.9 | 23% | 0.234 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 135.3 | -178 | 27.4 | -33.8 | 0 | 0 | 0 | 112.3 | V408 L421 I434 | V408-P432 HydrophobicContact CG2-CB 4.03Å; V408-P432 HydrophobicContact CG2-CG 3.68Å; L421-P432 HydrophobicContact CD2-CG 3.64Å; P432-I434 PolarHBondContact O-N 3.44Å |
| 433 | K | 76.5 | Confident | 73.9 | Confident | 214 Ų | 214 | 98.3 Ų | 98.3 | 93% | 0.93 | 53% | 0.534 | S | S | * | . | trans | -74.8 | 106.1 | -177.5 | -67.4 | 176.9 | -178.7 | 172.6 | 0 | 111.7 | ||||
| 434 | I | 71.6 | Confident | 73.7 | Confident | 31 Ų | 31 | 93.4 Ų | 93.4 | 16% | 0.159 | 52% | 0.519 | C | S | . | . | trans | -95.8 | 142.2 | -178.2 | -64.1 | -149.1 | 0 | 0 | 0 | 112.7 | G411 I417 P432 R436 | G411-I434 WeakPolarHBondContact O-CG2 3.26Å; I417-I434 HydrophobicContact CD1-CD1 4.39Å; I417-I434 HydrophobicContact CD1-CG1 4.16Å; I417-I434 HydrophobicContact CG1-CB 4.32Å; I417-I434 HydrophobicContact CG1-CD1 3.59Å; I417-I434 HydrophobicContact CG1-CG1 3.86Å; P432-I434 PolarHBondContact O-N 3.44Å; I434-R436 PolarHBondContact O-N 3.06Å; I434-R436 VanDerWaalsContact O-N 3.13Å | ||
| 435 | R | 66.3 | Low | 73.5 | Confident | 188 Ų | 188 | 95.8 Ų | 95.8 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | trans | -76.3 | 94.8 | 173.7 | -81.3 | -179.4 | 61.4 | -171.8 | -3.2 | 111.7 | N412 R437 | N412-R435 PolarHBondContact OD1-N 3.34Å; R435-R437 PolarHBondContact O-N 3.39Å | ||
| 436 | R | 65.7 | Low | 73.2 | Confident | 211 Ų | 211 | 98.7 Ų | 98.7 | 80% | 0.796 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 129.7 | 166.3 | -78.5 | -177.5 | 161 | 130.3 | 2.5 | 111.3 | G415 I434 | G415-R436 WeakPolarHBondContact O-CG 3.19Å; I434-R436 PolarHBondContact O-N 3.06Å; I434-R436 VanDerWaalsContact O-N 3.13Å |
| 437 | R | 62.5 | Low | 73.1 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 148 | 173 | -63 | -169.3 | -179 | -157.7 | 2.3 | 110.2 | N412 I413 R435 G439 | N412-R437 PolarHBondContact O-NE 3.36Å; N412-R437 PolarHBondContact O-NH2 3.43Å; I413-R437 WeakPolarHBondContact O-CD 3.14Å; I413-R437 VanDerWaalsContact O-CZ 3.26Å; I413-R437 PolarHBondContact O-NE 2.68Å; R435-R437 PolarHBondContact O-N 3.39Å; R437-G439 PolarHBondContact O-N 3.04Å |
| 438 | V | 62.4 | Low | 73.1 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.315 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 118.1 | 171.6 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | T440 K477 D481 | V438-T440 PolarHBondContact O-N 2.9Å; V438-T440 VanDerWaalsContact O-N 3.12Å; V438-K477 HydrophobicContact CG1-CB 4.06Å; V438-D481 HydrophobicContact CG2-CB 3.87Å; V438-D481 VanDerWaalsContact CG2-CG 3.43Å |
| 439 | G | 62.4 | Low | 73 | Confident | 45 Ų | 45 | 97.4 Ų | 97.4 | 46% | 0.464 | 52% | 0.516 | S | S | . | . | trans | -66.1 | 104.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R437 K477 | R437-G439 PolarHBondContact O-N 3.04Å; G439-K477 WeakPolarHBondContact O-CD 3.4Å; G439-K477 PolarHBondContact O-NZ 3.14Å; G439-K477 VanDerWaalsContact O-NZ 3.12Å | ||
| 440 | T | 73.6 | Confident | 72.6 | Confident | 57 Ų | 57 | 98.3 Ų | 98.3 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | trans | -98.1 | 9 | 173.6 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | V438 L478 | V438-T440 PolarHBondContact O-N 2.9Å; V438-T440 VanDerWaalsContact O-N 3.12Å; T440-L478 HydrophobicContact CG2-CD1 3.99Å; T440-L478 HydrophobicContact CG2-CD2 3.64Å; T440-L478 HydrophobicContact CG2-CG 3.52Å | ||
| 441 | S | 68.9 | Low | 72.3 | Confident | 103 Ų | 103 | 98.1 Ų | 98.1 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | trans | -60.5 | 144.5 | 173.5 | 42.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 442 | F | 76.2 | Confident | 71.9 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | trans | -147.4 | 145.2 | 169.5 | 59.7 | -90 | 0 | 0 | 0 | 108.3 | I444 K470 I471 | F442-I444 HydrophobicContact CD2-CG1 4.01Å; F442-I444 HydrophobicContact CE2-CD1 3.99Å; F442-I444 HydrophobicContact CE2-CG1 3.8Å; F442-K470 HydrophobicContact CB-CB 4.26Å; F442-K470 HydrophobicContact CD1-CB 4.11Å; F442-K470 HydrophobicContact CD2-CB 3.46Å; F442-K470 VanDerWaalsContact CD2-CB 3.46Å; F442-K470 HydrophobicContact CD2-CG 3.78Å; F442-K470 HydrophobicContact CE1-CB 4.3Å; F442-K470 HydrophobicContact CE2-CB 3.66Å; F442-K470 HydrophobicContact CE2-CG 4.2Å; F442-K470 HydrophobicContact CG-CB 3.7Å; F442-K470 HydrophobicContact CG-CG 4.29Å; F442-K470 HydrophobicContact CZ-CB 4.08Å; F442-I471 HydrophobicContact CE1-CG1 4.38Å; F442-I471 HydrophobicContact CZ-CG1 4.04Å | ||
| 443 | S | 75.7 | Confident | 71.8 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 74% | 0.741 | 52% | 0.522 | S | S | * | . | trans | -88.2 | 149.1 | 169.6 | -169 | 0 | 0 | 0 | 0 | 110 | ||||
| 444 | I | 75.4 | Confident | 71.3 | Confident | 64 Ų | 64 | 93 Ų | 93 | 33% | 0.328 | 50% | 0.496 | S | S | . | . | trans | -112.1 | 121.4 | 168.2 | -58.5 | 173.4 | 0 | 0 | 0 | 106.1 | F442 L448 V449 V467 | F442-I444 HydrophobicContact CD2-CG1 4.01Å; F442-I444 HydrophobicContact CE2-CD1 3.99Å; F442-I444 HydrophobicContact CE2-CG1 3.8Å; I444-L448 HydrophobicContact CG2-CB 3.93Å; I444-L448 HydrophobicContact CG2-CD2 3.83Å; I444-L448 HydrophobicContact CG2-CG 4.47Å; I444-V449 HydrophobicContact CG2-CG2 3.85Å; I444-V467 HydrophobicContact CD1-CG2 4.11Å | ||
| 445 | A | 76.4 | Confident | 71.4 | Confident | 64 Ų | 64 | 99.6 Ų | 99.6 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | trans | -61.8 | 138.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E447 L448 V449 | A445-E447 PolarHBondContact O-N 3.45Å; A445-E447 VanDerWaalsContact O-N 3.08Å; A445-L448 WeakPolarHBondContact O-CA 3.29Å; A445-L448 WeakPolarHBondContact O-CB 3.3Å; A445-L448 PolarHBondContact O-N 2.72Å; A445-V449 PolarHBondContact O-N 3.26Å | ||
| 446 | S | 74.2 | Confident | 72.1 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.5 | -28.9 | -177.2 | -50.2 | 0 | 0 | 0 | 0 | 113.3 | L448 V449 N450 | S446-L448 VanDerWaalsContact C-N 3.34Å; S446-L448 PolarHBondContact O-N 2.87Å; S446-V449 WeakPolarHBondContact O-CB 3.24Å; S446-V449 PolarHBondContact O-N 3.19Å; S446-N450 PolarHBondContact O-N 2.72Å |
| 447 | E | 75.6 | Confident | 72.9 | Confident | 158 Ų | 158 | 93 Ų | 93 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -37.8 | 173.6 | -62.3 | 175.6 | -171 | 0 | 0 | 112.8 | A445 N450 K451 | A445-E447 PolarHBondContact O-N 3.45Å; A445-E447 VanDerWaalsContact O-N 3.08Å; E447-N450 PolarHBondContact O-N 2.89Å; E447-K451 PolarHBondContact O-N 2.98Å |
| 448 | L | 75 | Confident | 74 | Confident | 35 Ų | 35 | 86 Ų | 86 | 18% | 0.183 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71 | -34.9 | 175.6 | -153.2 | 86.8 | 0 | 0 | 0 | 111.2 | I444 A445 S446 N450 K451 L452 A463 E466 V467 | I444-L448 HydrophobicContact CG2-CB 3.93Å; I444-L448 HydrophobicContact CG2-CD2 3.83Å; I444-L448 HydrophobicContact CG2-CG 4.47Å; A445-L448 WeakPolarHBondContact O-CA 3.29Å; A445-L448 WeakPolarHBondContact O-CB 3.3Å; A445-L448 PolarHBondContact O-N 2.72Å; S446-L448 VanDerWaalsContact C-N 3.34Å; S446-L448 PolarHBondContact O-N 2.87Å; L448-N450 VanDerWaalsContact C-N 3.34Å; L448-K451 PolarHBondContact O-N 3.24Å; L448-L452 PolarHBondContact O-N 3.46Å; L448-L452 VanDerWaalsContact O-N 3.15Å; L448-A463 HydrophobicContact CD1-CB 4.22Å; L448-A463 HydrophobicContact CG-CB 3.91Å; L448-E466 HydrophobicContact CD1-CB 4.27Å; L448-E466 HydrophobicContact CD1-CG 4.37Å; L448-E466 HydrophobicContact CD2-CB 4.11Å; L448-E466 HydrophobicContact CD2-CG 4.13Å; L448-V467 HydrophobicContact CD2-CG2 3.87Å |
| 449 | V | 74.6 | Confident | 75 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | I444 A445 S446 K451 L452 V453 | I444-V449 HydrophobicContact CG2-CG2 3.85Å; A445-V449 PolarHBondContact O-N 3.26Å; S446-V449 WeakPolarHBondContact O-CB 3.24Å; S446-V449 PolarHBondContact O-N 3.19Å; V449-K451 PolarHBondContact O-N 2.96Å; V449-L452 WeakPolarHBondContact O-CB 3.3Å; V449-L452 PolarHBondContact O-N 3.01Å; V449-V453 PolarHBondContact O-N 3.27Å |
| 450 | N | 74.3 | Confident | 76.1 | Confident | 108 Ų | 108 | 85.6 Ų | 85.6 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 174.3 | -68.5 | -22 | 0 | 0 | 0 | 111.7 | S446 E447 L448 L452 V453 T454 | S446-N450 PolarHBondContact O-N 2.72Å; E447-N450 PolarHBondContact O-N 2.89Å; L448-N450 VanDerWaalsContact C-N 3.34Å; N450-L452 VanDerWaalsContact C-N 3.3Å; N450-L452 PolarHBondContact O-N 3.4Å; N450-V453 PolarHBondContact O-N 3.09Å; N450-T454 WeakPolarHBondContact O-CG2 3.49Å; N450-T454 PolarHBondContact O-N 3.17Å |
| 451 | K | 74 | Confident | 76.8 | Confident | 81 Ų | 81 | 83.5 Ų | 83.5 | 35% | 0.352 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 173.9 | -76.6 | -168.5 | 175.3 | -170.6 | 0 | 112.7 | E447 L448 V449 V453 T454 A459 E462 A463 | E447-K451 PolarHBondContact O-N 2.98Å; L448-K451 PolarHBondContact O-N 3.24Å; V449-K451 PolarHBondContact O-N 2.96Å; K451-V453 PolarHBondContact O-N 3.46Å; K451-T454 PolarHBondContact O-N 3.02Å; K451-T454 PolarHBondContact O-OG1 2.8Å; K451-A459 HydrophobicContact CD-CB 4.36Å; K451-A459 HydrophobicContact CG-CB 4.36Å; K451-E462 IonicContact NZ-OE2 3.05Å; K451-E462 PolarHBondContact NZ-OE2 3.06Å; K451-A463 HydrophobicContact CB-CB 3.92Å |
| 452 | L | 70.1 | Confident | 77.7 | Confident | 55 Ų | 55 | 81 Ų | 81 | 29% | 0.288 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -16 | 176.3 | -69.4 | 166.8 | 0 | 0 | 0 | 114.1 | L448 V449 N450 H460 A463 N464 V467 | L448-L452 PolarHBondContact O-N 3.46Å; L448-L452 VanDerWaalsContact O-N 3.15Å; V449-L452 WeakPolarHBondContact O-CB 3.3Å; V449-L452 PolarHBondContact O-N 3.01Å; N450-L452 VanDerWaalsContact C-N 3.3Å; N450-L452 PolarHBondContact O-N 3.4Å; L452-H460 PolarHBondContact O-CD2 2.9Å; L452-A463 HydrophobicContact CD2-CB 3.65Å; L452-A463 HydrophobicContact CG-CB 3.71Å; L452-N464 WeakPolarHBondContact CD2-ND2 3.43Å; L452-V467 HydrophobicContact CD1-CG2 4.45Å |
| 453 | V | 75.7 | Confident | 78.2 | Confident | 120 Ų | 120 | 76.5 Ų | 76.5 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -99.8 | -8.6 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | V449 N450 K451 | V449-V453 PolarHBondContact O-N 3.27Å; N450-V453 PolarHBondContact O-N 3.09Å; K451-V453 PolarHBondContact O-N 3.46Å |
| 454 | T | 67.9 | Low | 78.9 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 39% | 0.387 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -73.1 | 148.9 | 179.2 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | N450 K451 D456 | N450-T454 WeakPolarHBondContact O-CG2 3.49Å; N450-T454 PolarHBondContact O-N 3.17Å; K451-T454 PolarHBondContact O-N 3.02Å; K451-T454 PolarHBondContact O-OG1 2.8Å; T454-D456 PolarHBondContact O-N 3.45Å |
| 455 | I | 72.2 | Confident | 79.7 | Confident | 171 Ų | 171 | 70.9 Ų | 70.9 | 88% | 0.877 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -73.5 | -14.7 | 175.3 | -59.2 | 170.8 | 0 | 0 | 0 | 111.5 | R457 | I455-R457 PolarHBondContact O-N 2.95Š|
| 456 | D | 81.7 | Confident | 80.3 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | trans | -73.3 | 110.5 | 176.3 | -176.6 | 2.5 | 0 | 0 | 0 | 111 | T454 I458 A459 H460 Y520 | T454-D456 PolarHBondContact O-N 3.45Å; D456-I458 PolarHBondContact O-N 2.84Å; D456-I458 PolarHBondContact OD1-N 3.17Å; D456-A459 HydrophobicContact CB-CB 4.09Å; D456-A459 PolarHBondContact O-N 2.74Å; D456-H460 WeakPolarHBondContact O-CB 3.24Å; D456-H460 PolarHBondContact O-N 2.87Å; D456-Y520 PolarHBondContact OD2-OH 3.29Å; D456-Y520 VanDerWaalsContact OD2-OH 3.1Å | ||
| 457 | R | 83.1 | Confident | 81 | Confident | 194 Ų | 194 | 67 Ų | 67 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.1 | -28 | 179.5 | -64.4 | -176.6 | -179.2 | -172.3 | -0.6 | 113.3 | I455 L461 M513 | I455-R457 PolarHBondContact O-N 2.95Å; R457-L461 WeakPolarHBondContact O-CB 3.47Å; R457-L461 WeakPolarHBondContact O-CG 3.19Å; R457-L461 PolarHBondContact O-N 3.15Å; R457-M513 HydrophobicContact CB-CE 3.49Å; R457-M513 VanDerWaalsContact CB-CE 3.49Å |
| 458 | I | 84.8 | Confident | 81.8 | Confident | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.2 | -51 | 178.1 | -70 | 171.8 | 0 | 0 | 0 | 109.4 | D456 H460 L461 E462 L510 M513 Y514 A517 Y520 | D456-I458 PolarHBondContact O-N 2.84Å; D456-I458 PolarHBondContact OD1-N 3.17Å; I458-H460 PolarHBondContact O-N 3.47Å; I458-L461 PolarHBondContact O-N 3.06Å; I458-E462 HydrophobicContact CG2-CG 4.5Å; I458-E462 WeakPolarHBondContact O-CG 3.34Å; I458-E462 PolarHBondContact O-N 2.81Å; I458-L510 HydrophobicContact CG2-CD1 4.36Å; I458-M513 HydrophobicContact CG1-CB 4.36Å; I458-M513 HydrophobicContact CG1-CE 3.66Å; I458-Y514 HydrophobicContact CG2-CD1 4.15Å; I458-Y514 HydrophobicContact CG2-CE1 3.45Å; I458-Y514 VanDerWaalsContact CG2-CE1 3.45Å; I458-A517 HydrophobicContact CD1-CB 3.72Å; I458-Y520 HydrophobicContact CD1-CD2 3.66Å; I458-Y520 HydrophobicContact CD1-CE2 3.43Å; I458-Y520 VanDerWaalsContact CD1-CE2 3.43Å; I458-Y520 HydrophobicContact CD1-CG 4.35Å; I458-Y520 HydrophobicContact CG2-CE1 4.25Å |
| 459 | A | 83.8 | Confident | 82.7 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -35.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K451 D456 A463 | K451-A459 HydrophobicContact CD-CB 4.36Å; K451-A459 HydrophobicContact CG-CB 4.36Å; D456-A459 HydrophobicContact CB-CB 4.09Å; D456-A459 PolarHBondContact O-N 2.74Å; A459-A463 WeakPolarHBondContact O-CB 3.37Å; A459-A463 PolarHBondContact O-N 2.73Å; A459-A463 VanDerWaalsContact O-N 3.14Å |
| 460 | H | 85.7 | Confident | 83.5 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 173.3 | -177.3 | -92.1 | 0 | 0 | 0 | 112.6 | L452 D456 I458 N464 | L452-H460 PolarHBondContact O-CD2 2.9Å; D456-H460 WeakPolarHBondContact O-CB 3.24Å; D456-H460 PolarHBondContact O-N 2.87Å; I458-H460 PolarHBondContact O-N 3.47Å; H460-N464 PolarHBondContact CE1-ND2 3.46Å; H460-N464 PolarHBondContact ND1-ND2 2.73Å; H460-N464 PolarHBondContact O-N 2.92Å; H460-N464 VanDerWaalsContact O-N 3.08Å; H460-N464 PolarHBondContact O-ND2 2.77Å |
| 461 | L | 88.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 174.7 | -78.1 | 178 | 0 | 0 | 0 | 112.4 | R457 I458 A463 N464 V465 L506 E509 L510 M513 | R457-L461 WeakPolarHBondContact O-CB 3.47Å; R457-L461 WeakPolarHBondContact O-CG 3.19Å; R457-L461 PolarHBondContact O-N 3.15Å; I458-L461 PolarHBondContact O-N 3.06Å; L461-A463 VanDerWaalsContact C-N 3.27Å; L461-A463 PolarHBondContact O-N 2.96Å; L461-N464 PolarHBondContact O-N 2.97Å; L461-N464 VanDerWaalsContact O-N 3.15Å; L461-V465 WeakPolarHBondContact O-CG2 3.38Å; L461-V465 PolarHBondContact O-N 2.88Å; L461-L506 HydrophobicContact CD2-CD2 4.22Å; L461-E509 HydrophobicContact CD1-CG 3.96Å; L461-E509 HydrophobicContact CD2-CG 4.48Å; L461-L510 HydrophobicContact CB-CD1 3.88Å; L461-M513 HydrophobicContact CD1-CB 4.43Å; L461-M513 HydrophobicContact CD1-CE 3.67Å; L461-M513 HydrophobicContact CD1-CG 3.78Å; L461-M513 HydrophobicContact CD1-SD 4.47Å |
| 462 | E | 86.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 23% | 0.229 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -51.3 | -48.2 | 172.8 | -73.6 | 172.8 | -171.8 | 0 | 0 | 111.3 | K451 I458 V465 E466 L510 Y514 | K451-E462 IonicContact NZ-OE2 3.05Å; K451-E462 PolarHBondContact NZ-OE2 3.06Å; I458-E462 HydrophobicContact CG2-CG 4.5Å; I458-E462 WeakPolarHBondContact O-CG 3.34Å; I458-E462 PolarHBondContact O-N 2.81Å; E462-V465 PolarHBondContact O-N 3.4Å; E462-E466 PolarHBondContact O-N 2.97Å; E462-E466 VanDerWaalsContact O-N 3.07Å; E462-L510 HydrophobicContact CG-CD1 4.11Å; E462-L510 HydrophobicContact CG-CD2 4.43Å; E462-Y514 WeakPolarHBondContact CG-OH 3.23Å; E462-Y514 PolarHBondContact OE1-OH 3.29Å |
| 463 | A | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L448 K451 L452 A459 L461 E466 V467 | L448-A463 HydrophobicContact CD1-CB 4.22Å; L448-A463 HydrophobicContact CG-CB 3.91Å; K451-A463 HydrophobicContact CB-CB 3.92Å; L452-A463 HydrophobicContact CD2-CB 3.65Å; L452-A463 HydrophobicContact CG-CB 3.71Å; A459-A463 WeakPolarHBondContact O-CB 3.37Å; A459-A463 PolarHBondContact O-N 2.73Å; A459-A463 VanDerWaalsContact O-N 3.14Å; L461-A463 VanDerWaalsContact C-N 3.27Å; L461-A463 PolarHBondContact O-N 2.96Å; A463-E466 PolarHBondContact O-N 3.07Å; A463-V467 WeakPolarHBondContact O-CG2 3.5Å; A463-V467 PolarHBondContact O-N 3.3Å |
| 464 | N | 89.6 | Confident | 86.9 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 175.6 | -83.4 | -75.9 | 0 | 0 | 0 | 112.7 | L452 H460 L461 K468 | L452-N464 WeakPolarHBondContact CD2-ND2 3.43Å; H460-N464 PolarHBondContact CE1-ND2 3.46Å; H460-N464 PolarHBondContact ND1-ND2 2.73Å; H460-N464 PolarHBondContact O-N 2.92Å; H460-N464 VanDerWaalsContact O-N 3.08Å; H460-N464 PolarHBondContact O-ND2 2.77Å; L461-N464 PolarHBondContact O-N 2.97Å; L461-N464 VanDerWaalsContact O-N 3.15Å; N464-K468 WeakPolarHBondContact O-CB 3.46Å; N464-K468 VanDerWaalsContact O-CG 3.28Å; N464-K468 WeakPolarHBondContact O-CG 3.4Å; N464-K468 PolarHBondContact O-N 3.38Å |
| 465 | V | 91.8 | Very high | 88 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 172.9 | 165.6 | 0 | 0 | 0 | 0 | 110.4 | L461 E462 K468 R469 L503 L506 E507 L510 | L461-V465 WeakPolarHBondContact O-CG2 3.38Å; L461-V465 PolarHBondContact O-N 2.88Å; E462-V465 PolarHBondContact O-N 3.4Å; V465-K468 CarbonylContact O-C 3.51Å; V465-K468 PolarHBondContact O-N 3.34Å; V465-R469 WeakPolarHBondContact O-CG 3.41Å; V465-R469 PolarHBondContact O-N 3.05Å; V465-L503 HydrophobicContact CG1-CD1 4.12Å; V465-L506 HydrophobicContact CG2-CB 3.83Å; V465-E507 HydrophobicContact CG1-CG 3.73Å; V465-E507 HydrophobicContact CG2-CG 4.17Å; V465-L510 HydrophobicContact CG2-CD2 4.12Å |
| 466 | E | 89.8 | Confident | 88.9 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 23% | 0.229 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -40.1 | -179 | -173.4 | 54.4 | -150.3 | 0 | 0 | 112.9 | L448 E462 A463 K468 R469 K470 | L448-E466 HydrophobicContact CD1-CB 4.27Å; L448-E466 HydrophobicContact CD1-CG 4.37Å; L448-E466 HydrophobicContact CD2-CB 4.11Å; L448-E466 HydrophobicContact CD2-CG 4.13Å; E462-E466 PolarHBondContact O-N 2.97Å; E462-E466 VanDerWaalsContact O-N 3.07Å; A463-E466 PolarHBondContact O-N 3.07Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 3.35Å; E466-R469 WeakPolarHBondContact O-CB 3.48Å; E466-R469 PolarHBondContact O-N 2.82Å; E466-R469 VanDerWaalsContact OE2-CD 3.27Å; E466-R469 WeakPolarHBondContact OE2-CD 3.39Å; E466-R469 IonicContact OE2-NH1 3.2Å; E466-K470 PolarHBondContact O-N 3.34Å; E466-K470 VanDerWaalsContact O-N 3.09Å; E466-K470 WeakPolarHBondContact OE1-CE 3.38Å; E466-K470 IonicContact OE1-NZ 3.59Å; E466-K470 PolarHBondContact OE1-NZ 3.32Å |
| 467 | V | 89.2 | Confident | 89.2 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 170.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | I444 L448 L452 A463 K470 I471 | I444-V467 HydrophobicContact CD1-CG2 4.11Å; L448-V467 HydrophobicContact CD2-CG2 3.87Å; L452-V467 HydrophobicContact CD1-CG2 4.45Å; A463-V467 WeakPolarHBondContact O-CG2 3.5Å; A463-V467 PolarHBondContact O-N 3.3Å; V467-K470 PolarHBondContact O-N 3.35Å; V467-I471 HydrophobicContact CG1-CD1 3.88Å; V467-I471 WeakPolarHBondContact O-CG1 3.37Å; V467-I471 PolarHBondContact O-N 3.45Å |
| 468 | K | 92.3 | Very high | 89.4 | Confident | 52 Ų | 52 | 43.5 Ų | 43.5 | 23% | 0.226 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -33.9 | 176.6 | -76.1 | -80.6 | -176.1 | -179.7 | 0 | 112.9 | N464 V465 E466 I471 V472 L503 L506 | N464-K468 WeakPolarHBondContact O-CB 3.46Å; N464-K468 VanDerWaalsContact O-CG 3.28Å; N464-K468 WeakPolarHBondContact O-CG 3.4Å; N464-K468 PolarHBondContact O-N 3.38Å; V465-K468 CarbonylContact O-C 3.51Å; V465-K468 PolarHBondContact O-N 3.34Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 3.35Å; K468-I471 HydrophobicContact CD-CD1 4.4Å; K468-I471 PolarHBondContact O-N 2.93Å; K468-V472 WeakPolarHBondContact O-CG2 3.39Å; K468-V472 PolarHBondContact O-N 3.48Å; K468-L503 HydrophobicContact CB-CD1 3.98Å; K468-L506 HydrophobicContact CB-CD1 4.45Å; K468-L506 HydrophobicContact CD-CD1 4.36Å; K468-L506 HydrophobicContact CG-CD1 3.7Å |
| 469 | R | 93 | Very high | 89.5 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 32% | 0.317 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 170.5 | -73.5 | 167.2 | 176.8 | 177.6 | -2.5 | 111.6 | V465 E466 I471 V472 A473 L503 E507 | V465-R469 WeakPolarHBondContact O-CG 3.41Å; V465-R469 PolarHBondContact O-N 3.05Å; E466-R469 WeakPolarHBondContact O-CB 3.48Å; E466-R469 PolarHBondContact O-N 2.82Å; E466-R469 VanDerWaalsContact OE2-CD 3.27Å; E466-R469 WeakPolarHBondContact OE2-CD 3.39Å; E466-R469 IonicContact OE2-NH1 3.2Å; R469-I471 PolarHBondContact O-N 3.28Å; R469-V472 PolarHBondContact O-N 2.88Å; R469-A473 PolarHBondContact O-N 3.01Å; R469-L503 HydrophobicContact CG-CD1 3.79Å; R469-L503 HydrophobicContact CG-CD2 3.77Å; R469-L503 HydrophobicContact CG-CG 4.44Å; R469-E507 IonicContact CZ-OE1 2.68Å; R469-E507 VanDerWaalsContact CZ-OE1 3.23Å; R469-E507 IonicContact NE-OE1 3.52Å; R469-E507 PolarHBondContact NE-OE1 2.86Å; R469-E507 IonicContact NH2-OE1 2.75Å; R469-E507 PolarHBondContact NH2-OE1 2.87Å |
| 470 | K | 91.7 | Very high | 89.6 | Confident | 83 Ų | 83 | 45.5 Ų | 45.5 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.2 | -55 | -44.4 | -168.6 | -155.1 | 0 | 111.9 | F442 E466 V467 A473 G474 | F442-K470 HydrophobicContact CB-CB 4.26Å; F442-K470 HydrophobicContact CD1-CB 4.11Å; F442-K470 HydrophobicContact CD2-CB 3.46Å; F442-K470 VanDerWaalsContact CD2-CB 3.46Å; F442-K470 HydrophobicContact CD2-CG 3.78Å; F442-K470 HydrophobicContact CE1-CB 4.3Å; F442-K470 HydrophobicContact CE2-CB 3.66Å; F442-K470 HydrophobicContact CE2-CG 4.2Å; F442-K470 HydrophobicContact CG-CB 3.7Å; F442-K470 HydrophobicContact CG-CG 4.29Å; F442-K470 HydrophobicContact CZ-CB 4.08Å; E466-K470 PolarHBondContact O-N 3.34Å; E466-K470 VanDerWaalsContact O-N 3.09Å; E466-K470 WeakPolarHBondContact OE1-CE 3.38Å; E466-K470 IonicContact OE1-NZ 3.59Å; E466-K470 PolarHBondContact OE1-NZ 3.32Å; V467-K470 PolarHBondContact O-N 3.35Å; K470-A473 PolarHBondContact O-N 2.7Å; K470-G474 PolarHBondContact O-N 2.78Å |
| 471 | I | 90.6 | Very high | 89.4 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 26% | 0.256 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.2 | -70.6 | 165.9 | 0 | 0 | 0 | 111.4 | F442 V467 K468 R469 A473 G474 H475 | F442-I471 HydrophobicContact CE1-CG1 4.38Å; F442-I471 HydrophobicContact CZ-CG1 4.04Å; V467-I471 HydrophobicContact CG1-CD1 3.88Å; V467-I471 WeakPolarHBondContact O-CG1 3.37Å; V467-I471 PolarHBondContact O-N 3.45Å; K468-I471 HydrophobicContact CD-CD1 4.4Å; K468-I471 PolarHBondContact O-N 2.93Å; R469-I471 PolarHBondContact O-N 3.28Å; I471-A473 PolarHBondContact O-N 2.75Å; I471-G474 WeakPolarHBondContact O-CA 3.31Å; I471-G474 PolarHBondContact O-N 2.82Å; I471-G474 VanDerWaalsContact O-N 3.1Å; I471-H475 PolarHBondContact O-CD2 3.5Å; I471-H475 PolarHBondContact O-N 3.19Å |
| 472 | V | 94.3 | Very high | 89.1 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.2 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | K468 R469 G474 H475 Q476 L496 A499 V500 L503 | K468-V472 WeakPolarHBondContact O-CG2 3.39Å; K468-V472 PolarHBondContact O-N 3.48Å; R469-V472 PolarHBondContact O-N 2.88Å; V472-G474 VanDerWaalsContact C-N 3.29Å; V472-G474 PolarHBondContact O-N 3.07Å; V472-H475 PolarHBondContact O-N 3.31Å; V472-H475 VanDerWaalsContact O-N 3.13Å; V472-Q476 HydrophobicContact CG1-CG 4.5Å; V472-Q476 WeakPolarHBondContact O-CG 3.35Å; V472-Q476 PolarHBondContact O-N 3.48Å; V472-L496 HydrophobicContact CG1-CD1 4.31Å; V472-A499 HydrophobicContact CG2-CB 3.84Å; V472-A499 WeakPolarHBondContact CG2-O 3.25Å; V472-V500 HydrophobicContact CG1-CG2 3.8Å; V472-V500 HydrophobicContact CG2-CG2 4.42Å; V472-L503 HydrophobicContact CB-CD2 4.3Å; V472-L503 HydrophobicContact CG2-CB 4.14Å; V472-L503 HydrophobicContact CG2-CD2 3.93Å |
| 473 | A | 90.9 | Very high | 88.6 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | R469 K470 I471 Q476 K477 | R469-A473 PolarHBondContact O-N 3.01Å; K470-A473 PolarHBondContact O-N 2.7Å; I471-A473 PolarHBondContact O-N 2.75Å; A473-Q476 PolarHBondContact O-N 2.99Å; A473-K477 WeakPolarHBondContact O-CG 3.17Å; A473-K477 PolarHBondContact O-N 2.83Å; A473-K477 VanDerWaalsContact O-N 3.1Å |
| 474 | G | 89.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 49 Ų | 49 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | K470 I471 V472 Q476 K477 L478 | K470-G474 PolarHBondContact O-N 2.78Å; I471-G474 WeakPolarHBondContact O-CA 3.31Å; I471-G474 PolarHBondContact O-N 2.82Å; I471-G474 VanDerWaalsContact O-N 3.1Å; V472-G474 VanDerWaalsContact C-N 3.29Å; V472-G474 PolarHBondContact O-N 3.07Å; G474-Q476 VanDerWaalsContact C-N 3.34Å; G474-Q476 PolarHBondContact O-N 3.39Å; G474-K477 PolarHBondContact O-N 2.88Å; G474-L478 WeakPolarHBondContact O-CG 3.38Å; G474-L478 PolarHBondContact O-N 2.91Å |
| 475 | H | 91.7 | Very high | 88 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 175.5 | -75.4 | -77.6 | 0 | 0 | 0 | 113 | I471 V472 L478 A479 L496 | I471-H475 PolarHBondContact O-CD2 3.5Å; I471-H475 PolarHBondContact O-N 3.19Å; V472-H475 PolarHBondContact O-N 3.31Å; V472-H475 VanDerWaalsContact O-N 3.13Å; H475-L478 PolarHBondContact O-N 2.83Å; H475-A479 VanDerWaalsContact O-CB 3.3Å; H475-A479 WeakPolarHBondContact O-CB 3.28Å; H475-A479 PolarHBondContact O-N 3.35Å; H475-L496 HydrophobicContact CB-CB 4.04Å; H475-L496 HydrophobicContact CB-CD1 3.77Å; H475-L496 HydrophobicContact CB-CG 4.5Å |
| 476 | Q | 91.2 | Very high | 87.6 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 174.3 | -71.9 | 174.8 | -3.2 | 0 | 0 | 111.1 | V472 A473 G474 L478 A479 G480 L496 | V472-Q476 HydrophobicContact CG1-CG 4.5Å; V472-Q476 WeakPolarHBondContact O-CG 3.35Å; V472-Q476 PolarHBondContact O-N 3.48Å; A473-Q476 PolarHBondContact O-N 2.99Å; G474-Q476 VanDerWaalsContact C-N 3.34Å; G474-Q476 PolarHBondContact O-N 3.39Å; Q476-L478 VanDerWaalsContact C-N 3.34Å; Q476-L478 PolarHBondContact O-N 3.26Å; Q476-A479 PolarHBondContact O-N 2.98Å; Q476-G480 PolarHBondContact O-N 3.08Å; Q476-G480 VanDerWaalsContact O-N 3.13Å; Q476-L496 HydrophobicContact CG-CD1 3.62Å; Q476-L496 HydrophobicContact CG-CD2 4.16Å |
| 477 | K | 88 | Confident | 87.6 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 173.6 | -70.3 | 176.4 | 174.9 | -176.9 | 0 | 111.8 | V438 G439 A473 G474 A479 G480 D481 | V438-K477 HydrophobicContact CG1-CB 4.06Å; G439-K477 WeakPolarHBondContact O-CD 3.4Å; G439-K477 PolarHBondContact O-NZ 3.14Å; G439-K477 VanDerWaalsContact O-NZ 3.12Å; A473-K477 WeakPolarHBondContact O-CG 3.17Å; A473-K477 PolarHBondContact O-N 2.83Å; A473-K477 VanDerWaalsContact O-N 3.1Å; G474-K477 PolarHBondContact O-N 2.88Å; K477-A479 PolarHBondContact O-N 2.67Å; K477-G480 PolarHBondContact O-N 3.18Å; K477-D481 PolarHBondContact O-N 3.45Å |
| 478 | L | 86.4 | Confident | 87.5 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 178.4 | -70.8 | 171.8 | 0 | 0 | 0 | 113.1 | T440 G474 H475 Q476 G480 D481 R492 | T440-L478 HydrophobicContact CG2-CD1 3.99Å; T440-L478 HydrophobicContact CG2-CD2 3.64Å; T440-L478 HydrophobicContact CG2-CG 3.52Å; G474-L478 WeakPolarHBondContact O-CG 3.38Å; G474-L478 PolarHBondContact O-N 2.91Å; H475-L478 PolarHBondContact O-N 2.83Å; Q476-L478 VanDerWaalsContact C-N 3.34Å; Q476-L478 PolarHBondContact O-N 3.26Å; L478-G480 VanDerWaalsContact C-N 3.3Å; L478-G480 PolarHBondContact O-N 3.29Å; L478-D481 VanDerWaalsContact O-CB 3.31Å; L478-D481 WeakPolarHBondContact O-CB 3.43Å; L478-D481 PolarHBondContact O-N 2.7Å; L478-R492 HydrophobicContact CB-CG 4.34Å; L478-R492 VanDerWaalsContact O-CD 3.28Å; L478-R492 WeakPolarHBondContact O-CD 3.48Å; L478-R492 PolarHBondContact O-NH1 3.11Å |
| 479 | A | 88.2 | Confident | 87.3 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.6 | -22.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H475 Q476 K477 R493 L496 | H475-A479 VanDerWaalsContact O-CB 3.3Å; H475-A479 WeakPolarHBondContact O-CB 3.28Å; H475-A479 PolarHBondContact O-N 3.35Å; Q476-A479 PolarHBondContact O-N 2.98Å; K477-A479 PolarHBondContact O-N 2.67Å; A479-R493 HydrophobicContact CB-CG 3.96Å; A479-L496 HydrophobicContact CB-CD2 3.86Å |
| 480 | G | 84.9 | Confident | 87.2 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -86.3 | -19.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q476 K477 L478 P482 | Q476-G480 PolarHBondContact O-N 3.08Å; Q476-G480 VanDerWaalsContact O-N 3.13Å; K477-G480 PolarHBondContact O-N 3.18Å; L478-G480 VanDerWaalsContact C-N 3.3Å; L478-G480 PolarHBondContact O-N 3.29Å; G480-P482 WeakPolarHBondContact O-CD 3.5Å |
| 481 | D | 81.6 | Confident | 87.2 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | trans | -51.6 | 111.2 | -176 | -179.7 | -0.3 | 0 | 0 | 0 | 113.8 | V438 K477 L478 S483 V484 R489 R492 | V438-D481 HydrophobicContact CG2-CB 3.87Å; V438-D481 VanDerWaalsContact CG2-CG 3.43Å; K477-D481 PolarHBondContact O-N 3.45Å; L478-D481 VanDerWaalsContact O-CB 3.31Å; L478-D481 WeakPolarHBondContact O-CB 3.43Å; L478-D481 PolarHBondContact O-N 2.7Å; D481-S483 WeakPolarHBondContact OD1-CB 3.33Å; D481-S483 PolarHBondContact OD1-N 3.36Å; D481-S483 PolarHBondContact OD1-OG 3.04Å; D481-V484 VanDerWaalsContact OD2-CG2 3.22Å; D481-V484 WeakPolarHBondContact OD2-CG2 3.35Å; D481-R489 WeakPolarHBondContact O-CD 3.36Å; D481-R489 WeakPolarHBondContact O-CG 3.41Å; D481-R492 VanDerWaalsContact CB-NH1 3.25Å; D481-R492 IonicContact OD2-CZ 2.75Å; D481-R492 IonicContact OD2-NH1 2.77Å; D481-R492 PolarHBondContact OD2-NH1 3.27Å; D481-R492 IonicContact OD2-NH2 3.72Å | ||
| 482 | P | 82.3 | Confident | 87.2 | Confident | 105 Ų | 105 | 69 Ų | 69 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18 | -178.4 | 32.7 | -35.3 | 0 | 0 | 0 | 113.5 | G480 V484 R489 | G480-P482 WeakPolarHBondContact O-CD 3.5Å; P482-V484 PolarHBondContact O-N 3.42Å; P482-R489 PolarHBondContact O-NH2 3.41Å |
| 483 | S | 75.8 | Confident | 87.2 | Confident | 82 Ų | 82 | 76 Ų | 76 | 57% | 0.573 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.6 | -174.5 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | D481 | D481-S483 WeakPolarHBondContact OD1-CB 3.33Å; D481-S483 PolarHBondContact OD1-N 3.36Å; D481-S483 PolarHBondContact OD1-OG 3.04Å |
| 484 | V | 79.5 | Confident | 87.3 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -113.7 | 147.7 | -168.5 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | D481 P482 V488 R489 | D481-V484 VanDerWaalsContact OD2-CG2 3.22Å; D481-V484 WeakPolarHBondContact OD2-CG2 3.35Å; P482-V484 PolarHBondContact O-N 3.42Å; V484-V488 HydrophobicContact CG1-CB 3.47Å; V484-V488 VanDerWaalsContact CG1-CB 3.47Å; V484-V488 HydrophobicContact CG1-CG1 3.44Å; V484-V488 VanDerWaalsContact CG1-CG1 3.44Å; V484-R489 VanDerWaalsContact O-CZ 3.26Å; V484-R489 PolarHBondContact O-NE 2.79Å; V484-R489 PolarHBondContact O-NH2 3.02Å |
| 485 | S | 84.5 | Confident | 87.4 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | trans | -57.8 | 153.9 | -176.4 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | I487 V488 R489 | S485-I487 PolarHBondContact O-N 2.98Å; S485-V488 PolarHBondContact O-N 3.06Å; S485-R489 PolarHBondContact O-N 3.5Å | ||
| 486 | S | 85 | Confident | 87.6 | Confident | 89 Ų | 89 | 79 Ų | 79 | 62% | 0.622 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55.3 | -38.5 | 179.4 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | R490 | S486-R490 WeakPolarHBondContact O-CB 3.42Å; S486-R490 PolarHBondContact O-N 3.45Å |
| 487 | I | 88.4 | Confident | 87.7 | Confident | 132 Ų | 132 | 80.8 Ų | 80.8 | 68% | 0.677 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62 | -50.4 | 177.1 | -61 | 170.4 | 0 | 0 | 0 | 110.8 | S485 R490 R491 | S485-I487 PolarHBondContact O-N 2.98Å; I487-R490 WeakPolarHBondContact O-CB 3.48Å; I487-R490 PolarHBondContact O-N 3.09Å; I487-R491 PolarHBondContact O-N 2.9Å |
| 488 | V | 88.3 | Confident | 88 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.1 | -33.1 | -178.3 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | V484 S485 R491 R492 | V484-V488 HydrophobicContact CG1-CB 3.47Å; V484-V488 VanDerWaalsContact CG1-CB 3.47Å; V484-V488 HydrophobicContact CG1-CG1 3.44Å; V484-V488 VanDerWaalsContact CG1-CG1 3.44Å; S485-V488 PolarHBondContact O-N 3.06Å; V488-R491 PolarHBondContact O-N 2.94Å; V488-R492 HydrophobicContact CG1-CG 4.39Å; V488-R492 WeakPolarHBondContact O-CB 3.36Å; V488-R492 VanDerWaalsContact O-CG 3.3Å; V488-R492 WeakPolarHBondContact O-CG 3.3Å; V488-R492 PolarHBondContact O-N 3.34Å |
| 489 | R | 88.1 | Confident | 88.4 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 167.3 | -94.7 | -175.5 | -83.8 | 174.9 | -7.7 | 112.3 | D481 P482 V484 S485 R492 R493 | D481-R489 WeakPolarHBondContact O-CD 3.36Å; D481-R489 WeakPolarHBondContact O-CG 3.41Å; P482-R489 PolarHBondContact O-NH2 3.41Å; V484-R489 VanDerWaalsContact O-CZ 3.26Å; V484-R489 PolarHBondContact O-NE 2.79Å; V484-R489 PolarHBondContact O-NH2 3.02Å; S485-R489 PolarHBondContact O-N 3.5Å; R489-R492 PolarHBondContact O-N 3.16Å; R489-R493 VanDerWaalsContact O-CG 3.31Å; R489-R493 WeakPolarHBondContact O-CG 3.2Å; R489-R493 PolarHBondContact O-N 3.48Å |
| 490 | R | 89.9 | Confident | 88.7 | Confident | 208 Ų | 208 | 78 Ų | 78 | 79% | 0.785 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 174.4 | -176.1 | 179.5 | 179.8 | 177.3 | 0.6 | 111.1 | S486 I487 R493 Q494 | S486-R490 WeakPolarHBondContact O-CB 3.42Å; S486-R490 PolarHBondContact O-N 3.45Å; I487-R490 WeakPolarHBondContact O-CB 3.48Å; I487-R490 PolarHBondContact O-N 3.09Å; R490-R493 PolarHBondContact O-N 2.93Å; R490-Q494 PolarHBondContact O-N 3.15Å |
| 491 | R | 91.4 | Very high | 89.2 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -49.8 | 175.8 | -177.8 | 63.9 | -149.3 | -151.8 | 2 | 112.1 | I487 V488 R493 Q494 D495 | I487-R491 PolarHBondContact O-N 2.9Å; V488-R491 PolarHBondContact O-N 2.94Å; R491-R493 PolarHBondContact O-N 2.76Å; R491-R493 VanDerWaalsContact O-N 3.16Å; R491-Q494 CarbonylContact O-C 3.59Å; R491-Q494 WeakPolarHBondContact O-CA 3.35Å; R491-Q494 VanDerWaalsContact O-CB 3.23Å; R491-Q494 WeakPolarHBondContact O-CB 3.48Å; R491-Q494 PolarHBondContact O-N 3.34Å; R491-D495 IonicContact CZ-OD1 3.23Å; R491-D495 IonicContact NE-OD1 3.7Å; R491-D495 PolarHBondContact NE-OD1 3.01Å; R491-D495 IonicContact NE-OD2 3.19Å; R491-D495 IonicContact NH2-OD1 3.88Å; R491-D495 PolarHBondContact NH2-OD1 3.36Å; R491-D495 VanDerWaalsContact O-CG 3.3Å; R491-D495 PolarHBondContact O-N 3.22Å; R491-D495 VanDerWaalsContact O-OD2 3.06Å |
| 492 | R | 92.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 84.4 Ų | 84.4 | 18% | 0.177 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.1 | -31.4 | 177.1 | -71.2 | 167.1 | 166.5 | -164.4 | 4.6 | 113.4 | L478 D481 V488 R489 D495 L496 | L478-R492 HydrophobicContact CB-CG 4.34Å; L478-R492 VanDerWaalsContact O-CD 3.28Å; L478-R492 WeakPolarHBondContact O-CD 3.48Å; L478-R492 PolarHBondContact O-NH1 3.11Å; D481-R492 VanDerWaalsContact CB-NH1 3.25Å; D481-R492 IonicContact OD2-CZ 2.75Å; D481-R492 IonicContact OD2-NH1 2.77Å; D481-R492 PolarHBondContact OD2-NH1 3.27Å; D481-R492 IonicContact OD2-NH2 3.72Å; V488-R492 HydrophobicContact CG1-CG 4.39Å; V488-R492 WeakPolarHBondContact O-CB 3.36Å; V488-R492 VanDerWaalsContact O-CG 3.3Å; V488-R492 WeakPolarHBondContact O-CG 3.3Å; V488-R492 PolarHBondContact O-N 3.34Å; R489-R492 PolarHBondContact O-N 3.16Å; R492-D495 WeakPolarHBondContact CA-OD2 3.39Å; R492-L496 WeakPolarHBondContact O-CB 3.22Å; R492-L496 PolarHBondContact O-N 2.88Å |
| 493 | R | 92.5 | Very high | 90.4 | Very high | 153 Ų | 153 | 79.5 Ų | 79.5 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70 | -30.2 | 171 | -73.5 | 172.6 | -179.2 | -164.9 | -1.3 | 113.4 | A479 R489 R490 R491 K497 | A479-R493 HydrophobicContact CB-CG 3.96Å; R489-R493 VanDerWaalsContact O-CG 3.31Å; R489-R493 WeakPolarHBondContact O-CG 3.2Å; R489-R493 PolarHBondContact O-N 3.48Å; R490-R493 PolarHBondContact O-N 2.93Å; R491-R493 PolarHBondContact O-N 2.76Å; R491-R493 VanDerWaalsContact O-N 3.16Å; R493-K497 WeakPolarHBondContact O-CG 3.29Å; R493-K497 PolarHBondContact O-N 2.77Å |
| 494 | Q | 93.6 | Very high | 91.3 | Very high | 96 Ų | 96 | 79.1 Ų | 79.1 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.4 | -45.5 | 170.4 | -176.5 | -179.4 | 8.7 | 0 | 0 | 110.8 | R490 R491 L496 K497 Q498 | R490-Q494 PolarHBondContact O-N 3.15Å; R491-Q494 CarbonylContact O-C 3.59Å; R491-Q494 WeakPolarHBondContact O-CA 3.35Å; R491-Q494 VanDerWaalsContact O-CB 3.23Å; R491-Q494 WeakPolarHBondContact O-CB 3.48Å; R491-Q494 PolarHBondContact O-N 3.34Å; Q494-L496 VanDerWaalsContact C-N 3.3Å; Q494-L496 PolarHBondContact O-N 3.46Å; Q494-K497 WeakPolarHBondContact O-CB 3.49Å; Q494-K497 PolarHBondContact O-N 3.42Å; Q494-K497 VanDerWaalsContact O-N 3.12Å; Q494-Q498 PolarHBondContact O-N 3.38Å |
| 495 | D | 93 | Very high | 92 | Very high | 35 Ų | 35 | 84.2 Ų | 84.2 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 177.7 | -50.5 | -44.6 | 0 | 0 | 0 | 111 | R491 R492 Q498 A499 | R491-D495 IonicContact CZ-OD1 3.23Å; R491-D495 IonicContact NE-OD1 3.7Å; R491-D495 PolarHBondContact NE-OD1 3.01Å; R491-D495 IonicContact NE-OD2 3.19Å; R491-D495 IonicContact NH2-OD1 3.88Å; R491-D495 PolarHBondContact NH2-OD1 3.36Å; R491-D495 VanDerWaalsContact O-CG 3.3Å; R491-D495 PolarHBondContact O-N 3.22Å; R491-D495 VanDerWaalsContact O-OD2 3.06Å; R492-D495 WeakPolarHBondContact CA-OD2 3.39Å; D495-Q498 PolarHBondContact O-N 3Å; D495-A499 WeakPolarHBondContact O-CB 3.47Å; D495-A499 PolarHBondContact O-N 3.27Å |
| 496 | L | 94.2 | Very high | 92.4 | Very high | 32 Ų | 32 | 82.7 Ų | 82.7 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 171.9 | 174 | 58.9 | 0 | 0 | 0 | 112.6 | V472 H475 Q476 A479 R492 Q494 Q498 A499 V500 | V472-L496 HydrophobicContact CG1-CD1 4.31Å; H475-L496 HydrophobicContact CB-CB 4.04Å; H475-L496 HydrophobicContact CB-CD1 3.77Å; H475-L496 HydrophobicContact CB-CG 4.5Å; Q476-L496 HydrophobicContact CG-CD1 3.62Å; Q476-L496 HydrophobicContact CG-CD2 4.16Å; A479-L496 HydrophobicContact CB-CD2 3.86Å; R492-L496 WeakPolarHBondContact O-CB 3.22Å; R492-L496 PolarHBondContact O-N 2.88Å; Q494-L496 VanDerWaalsContact C-N 3.3Å; Q494-L496 PolarHBondContact O-N 3.46Å; L496-Q498 VanDerWaalsContact C-N 3.32Å; L496-Q498 PolarHBondContact O-N 3.3Å; L496-A499 PolarHBondContact O-N 3.34Å; L496-V500 HydrophobicContact CD1-CG2 3.99Å; L496-V500 WeakPolarHBondContact O-CG2 3.31Å; L496-V500 PolarHBondContact O-N 2.97Å |
| 497 | K | 94.4 | Very high | 92.7 | Very high | 141 Ų | 141 | 80.2 Ų | 80.2 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.2 | -42.7 | 176.5 | -77.1 | -175.5 | 173.8 | -163.6 | 0 | 111.5 | R493 Q494 V500 Q501 | R493-K497 WeakPolarHBondContact O-CG 3.29Å; R493-K497 PolarHBondContact O-N 2.77Å; Q494-K497 WeakPolarHBondContact O-CB 3.49Å; Q494-K497 PolarHBondContact O-N 3.42Å; Q494-K497 VanDerWaalsContact O-N 3.12Å; K497-V500 PolarHBondContact O-N 3.13Å; K497-Q501 VanDerWaalsContact O-CG 3.3Å; K497-Q501 WeakPolarHBondContact O-CG 3.5Å; K497-Q501 PolarHBondContact O-N 3.31Å |
| 498 | Q | 94.5 | Very high | 93 | Very high | 86 Ų | 86 | 80.3 Ų | 80.3 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.9 | -68.7 | 179 | -31.7 | 0 | 0 | 112 | Q494 D495 L496 Q501 Q502 | Q494-Q498 PolarHBondContact O-N 3.38Å; D495-Q498 PolarHBondContact O-N 3Å; L496-Q498 VanDerWaalsContact C-N 3.32Å; L496-Q498 PolarHBondContact O-N 3.3Å; Q498-Q501 PolarHBondContact O-N 2.79Å; Q498-Q502 WeakPolarHBondContact O-CG 3.07Å; Q498-Q502 PolarHBondContact O-N 3.37Å |
| 499 | A | 93.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 82.1 Ų | 82.1 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V472 D495 L496 Q502 L503 | V472-A499 HydrophobicContact CG2-CB 3.84Å; V472-A499 WeakPolarHBondContact CG2-O 3.25Å; D495-A499 WeakPolarHBondContact O-CB 3.47Å; D495-A499 PolarHBondContact O-N 3.27Å; L496-A499 PolarHBondContact O-N 3.34Å; A499-Q502 PolarHBondContact O-N 3.14Å; A499-L503 PolarHBondContact O-N 3.42Å |
| 500 | V | 95.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 79 Ų | 79 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | V472 L496 K497 Q502 L503 Q504 | V472-V500 HydrophobicContact CG1-CG2 3.8Å; V472-V500 HydrophobicContact CG2-CG2 4.42Å; L496-V500 HydrophobicContact CD1-CG2 3.99Å; L496-V500 WeakPolarHBondContact O-CG2 3.31Å; L496-V500 PolarHBondContact O-N 2.97Å; K497-V500 PolarHBondContact O-N 3.13Å; V500-Q502 PolarHBondContact O-N 2.87Å; V500-L503 PolarHBondContact O-N 3.14Å; V500-Q504 WeakPolarHBondContact O-CG 3.2Å; V500-Q504 PolarHBondContact O-N 3.21Å |
| 501 | Q | 95.3 | Very high | 93.2 | Very high | 110 Ų | 110 | 73 Ų | 73 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.9 | -74.4 | 171.9 | -34.8 | 0 | 0 | 112.3 | K497 Q498 Q504 Q505 | K497-Q501 VanDerWaalsContact O-CG 3.3Å; K497-Q501 WeakPolarHBondContact O-CG 3.5Å; K497-Q501 PolarHBondContact O-N 3.31Å; Q498-Q501 PolarHBondContact O-N 2.79Å; Q501-Q504 PolarHBondContact O-N 2.95Å; Q501-Q505 WeakPolarHBondContact O-CG 3.29Å; Q501-Q505 PolarHBondContact O-N 2.7Å |
| 502 | Q | 93.8 | Very high | 93 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 175.5 | -73.1 | 179.2 | 4.6 | 0 | 0 | 113 | Q498 A499 V500 L506 | Q498-Q502 WeakPolarHBondContact O-CG 3.07Å; Q498-Q502 PolarHBondContact O-N 3.37Å; A499-Q502 PolarHBondContact O-N 3.14Å; V500-Q502 PolarHBondContact O-N 2.87Å; Q502-L506 WeakPolarHBondContact O-CG 3.2Å; Q502-L506 PolarHBondContact O-N 2.87Å |
| 503 | L | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 175.3 | 176.1 | 57 | 0 | 0 | 0 | 111 | V465 K468 R469 V472 A499 V500 Q505 L506 E507 Y531 | V465-L503 HydrophobicContact CG1-CD1 4.12Å; K468-L503 HydrophobicContact CB-CD1 3.98Å; R469-L503 HydrophobicContact CG-CD1 3.79Å; R469-L503 HydrophobicContact CG-CD2 3.77Å; R469-L503 HydrophobicContact CG-CG 4.44Å; V472-L503 HydrophobicContact CB-CD2 4.3Å; V472-L503 HydrophobicContact CG2-CB 4.14Å; V472-L503 HydrophobicContact CG2-CD2 3.93Å; A499-L503 PolarHBondContact O-N 3.42Å; V500-L503 PolarHBondContact O-N 3.14Å; L503-Q505 VanDerWaalsContact C-N 3.3Å; L503-Q505 PolarHBondContact O-N 2.87Å; L503-L506 PolarHBondContact O-N 3.09Å; L503-L506 VanDerWaalsContact O-N 3.15Å; L503-E507 HydrophobicContact CD1-CG 3.93Å; L503-E507 HydrophobicContact CG-CG 4.41Å; L503-E507 WeakPolarHBondContact O-CG 3.27Å; L503-E507 PolarHBondContact O-N 3.05Å; L503-Y531 WeakPolarHBondContact CD2-OH 3.48Å |
| 504 | Q | 94.5 | Very high | 92.3 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 176.2 | -72 | 172 | -18 | 0 | 0 | 112.5 | V500 Q501 Q508 Y531 | V500-Q504 WeakPolarHBondContact O-CG 3.2Å; V500-Q504 PolarHBondContact O-N 3.21Å; Q501-Q504 PolarHBondContact O-N 2.95Å; Q504-Q508 WeakPolarHBondContact O-CB 3.41Å; Q504-Q508 VanDerWaalsContact O-CG 3.25Å; Q504-Q508 WeakPolarHBondContact O-CG 3.46Å; Q504-Q508 PolarHBondContact O-N 3.13Å; Q504-Y531 HydrophobicContact CG-CD2 4.42Å |
| 505 | Q | 94.4 | Very high | 91.8 | Very high | 125 Ų | 125 | 66.4 Ų | 66.4 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 175 | -74.8 | 170.7 | -17.2 | 0 | 0 | 112.6 | Q501 L503 Q508 E509 | Q501-Q505 WeakPolarHBondContact O-CG 3.29Å; Q501-Q505 PolarHBondContact O-N 2.7Å; L503-Q505 VanDerWaalsContact C-N 3.3Å; L503-Q505 PolarHBondContact O-N 2.87Å; Q505-Q508 PolarHBondContact O-N 3.04Å; Q505-E509 PolarHBondContact O-N 2.79Å |
| 506 | L | 92.4 | Very high | 91.3 | Very high | 33 Ų | 33 | 72.8 Ų | 72.8 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74 | -34.4 | 178.7 | -71.6 | 164.8 | 0 | 0 | 0 | 112.7 | L461 V465 K468 Q502 L503 Q508 E509 L510 | L461-L506 HydrophobicContact CD2-CD2 4.22Å; V465-L506 HydrophobicContact CG2-CB 3.83Å; K468-L506 HydrophobicContact CB-CD1 4.45Å; K468-L506 HydrophobicContact CD-CD1 4.36Å; K468-L506 HydrophobicContact CG-CD1 3.7Å; Q502-L506 WeakPolarHBondContact O-CG 3.2Å; Q502-L506 PolarHBondContact O-N 2.87Å; L503-L506 PolarHBondContact O-N 3.09Å; L503-L506 VanDerWaalsContact O-N 3.15Å; L506-Q508 VanDerWaalsContact C-N 3.32Å; L506-E509 PolarHBondContact O-N 2.73Å; L506-L510 VanDerWaalsContact O-CB 3.31Å; L506-L510 WeakPolarHBondContact O-CB 3.36Å; L506-L510 PolarHBondContact O-N 3.43Å |
| 507 | E | 92.8 | Very high | 90.2 | Very high | 36 Ų | 36 | 72.2 Ų | 72.2 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67 | -34.6 | 172.7 | -71.6 | 178.6 | 148.1 | 0 | 0 | 111.1 | V465 R469 L503 Q511 Y531 | V465-E507 HydrophobicContact CG1-CG 3.73Å; V465-E507 HydrophobicContact CG2-CG 4.17Å; R469-E507 IonicContact CZ-OE1 2.68Å; R469-E507 VanDerWaalsContact CZ-OE1 3.23Å; R469-E507 IonicContact NE-OE1 3.52Å; R469-E507 PolarHBondContact NE-OE1 2.86Å; R469-E507 IonicContact NH2-OE1 2.75Å; R469-E507 PolarHBondContact NH2-OE1 2.87Å; L503-E507 HydrophobicContact CD1-CG 3.93Å; L503-E507 HydrophobicContact CG-CG 4.41Å; L503-E507 WeakPolarHBondContact O-CG 3.27Å; L503-E507 PolarHBondContact O-N 3.05Å; E507-Q511 WeakPolarHBondContact O-CB 3.37Å; E507-Q511 PolarHBondContact O-N 3.2Å; E507-Y531 PolarHBondContact OE2-OH 3.05Å |
| 508 | Q | 93.1 | Very high | 88.7 | Confident | 134 Ų | 134 | 70.4 Ų | 70.4 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.1 | -45.1 | 169.6 | -74.3 | 171.1 | -2.5 | 0 | 0 | 112.7 | Q504 Q505 L506 L510 Q511 D512 | Q504-Q508 WeakPolarHBondContact O-CB 3.41Å; Q504-Q508 VanDerWaalsContact O-CG 3.25Å; Q504-Q508 WeakPolarHBondContact O-CG 3.46Å; Q504-Q508 PolarHBondContact O-N 3.13Å; Q505-Q508 PolarHBondContact O-N 3.04Å; L506-Q508 VanDerWaalsContact C-N 3.32Å; Q508-L510 VanDerWaalsContact C-N 3.32Å; Q508-L510 PolarHBondContact O-N 2.93Å; Q508-Q511 WeakPolarHBondContact O-CB 3.46Å; Q508-Q511 PolarHBondContact O-N 2.87Å; Q508-D512 WeakPolarHBondContact O-CB 3.47Å; Q508-D512 PolarHBondContact O-N 3.3Å |
| 509 | E | 91.4 | Very high | 87.2 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 177.5 | -170 | -178.1 | 175.5 | 0 | 0 | 111.8 | L461 Q505 L506 D512 M513 | L461-E509 HydrophobicContact CD1-CG 3.96Å; L461-E509 HydrophobicContact CD2-CG 4.48Å; Q505-E509 PolarHBondContact O-N 2.79Å; L506-E509 PolarHBondContact O-N 2.73Å; E509-D512 PolarHBondContact O-N 2.83Å; E509-M513 WeakPolarHBondContact O-CB 3.38Å; E509-M513 WeakPolarHBondContact O-CG 3.43Å; E509-M513 PolarHBondContact O-N 2.81Å |
| 510 | L | 89.7 | Confident | 85.5 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.7 | -178.5 | 64 | 0 | 0 | 0 | 112 | I458 L461 E462 V465 L506 Q508 M513 Y514 | I458-L510 HydrophobicContact CG2-CD1 4.36Å; L461-L510 HydrophobicContact CB-CD1 3.88Å; E462-L510 HydrophobicContact CG-CD1 4.11Å; E462-L510 HydrophobicContact CG-CD2 4.43Å; V465-L510 HydrophobicContact CG2-CD2 4.12Å; L506-L510 VanDerWaalsContact O-CB 3.31Å; L506-L510 WeakPolarHBondContact O-CB 3.36Å; L506-L510 PolarHBondContact O-N 3.43Å; Q508-L510 VanDerWaalsContact C-N 3.32Å; Q508-L510 PolarHBondContact O-N 2.93Å; L510-M513 WeakPolarHBondContact O-CB 3.49Å; L510-M513 PolarHBondContact O-N 3.35Å; L510-Y514 HydrophobicContact CD1-CD2 4.22Å; L510-Y514 HydrophobicContact CD1-CE2 3.65Å; L510-Y514 HydrophobicContact CD2-CE2 4.04Å; L510-Y514 HydrophobicContact CG-CD2 4.03Å; L510-Y514 HydrophobicContact CG-CE2 3.56Å; L510-Y514 VanDerWaalsContact O-CD2 3.27Å; L510-Y514 WeakPolarHBondContact O-CD2 3.27Å; L510-Y514 PolarHBondContact O-N 3.22Å |
| 511 | Q | 88.9 | Confident | 83.5 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 175.3 | -174.6 | 74.4 | -5.8 | 0 | 0 | 111.6 | E507 Q508 M513 Y514 I515 | E507-Q511 WeakPolarHBondContact O-CB 3.37Å; E507-Q511 PolarHBondContact O-N 3.2Å; Q508-Q511 WeakPolarHBondContact O-CB 3.46Å; Q508-Q511 PolarHBondContact O-N 2.87Å; Q511-M513 VanDerWaalsContact C-N 3.3Å; Q511-M513 PolarHBondContact O-N 2.94Å; Q511-Y514 PolarHBondContact O-N 2.95Å; Q511-I515 HydrophobicContact CG-CD1 4.19Å; Q511-I515 WeakPolarHBondContact O-CG1 3.24Å; Q511-I515 PolarHBondContact O-N 2.9Å; Q511-I515 VanDerWaalsContact O-N 3.1Å |
| 512 | D | 89.2 | Confident | 81.3 | Confident | 78 Ų | 78 | 89 Ų | 89 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.9 | -115.8 | 39.7 | 0 | 0 | 0 | 111.8 | Q508 E509 I515 R516 | Q508-D512 WeakPolarHBondContact O-CB 3.47Å; Q508-D512 PolarHBondContact O-N 3.3Å; E509-D512 PolarHBondContact O-N 2.83Å; D512-I515 PolarHBondContact O-N 3.18Å; D512-R516 WeakPolarHBondContact O-CB 3.47Å; D512-R516 PolarHBondContact O-N 2.92Å; D512-R516 IonicContact OD2-CZ 2.74Å; D512-R516 IonicContact OD2-NH1 3.62Å; D512-R516 PolarHBondContact OD2-NH1 3.28Å; D512-R516 IonicContact OD2-NH2 2.67Å; D512-R516 PolarHBondContact OD2-NH2 3.24Å |
| 513 | M | 84.2 | Confident | 78.8 | Confident | 41 Ų | 41 | 88.5 Ų | 88.5 | 20% | 0.202 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.4 | -79.5 | -94.6 | -76.6 | 0 | 0 | 112.5 | R457 I458 L461 E509 L510 Q511 I515 R516 A517 | R457-M513 HydrophobicContact CB-CE 3.49Å; R457-M513 VanDerWaalsContact CB-CE 3.49Å; I458-M513 HydrophobicContact CG1-CB 4.36Å; I458-M513 HydrophobicContact CG1-CE 3.66Å; L461-M513 HydrophobicContact CD1-CB 4.43Å; L461-M513 HydrophobicContact CD1-CE 3.67Å; L461-M513 HydrophobicContact CD1-CG 3.78Å; L461-M513 HydrophobicContact CD1-SD 4.47Å; E509-M513 WeakPolarHBondContact O-CB 3.38Å; E509-M513 WeakPolarHBondContact O-CG 3.43Å; E509-M513 PolarHBondContact O-N 2.81Å; L510-M513 WeakPolarHBondContact O-CB 3.49Å; L510-M513 PolarHBondContact O-N 3.35Å; Q511-M513 VanDerWaalsContact C-N 3.3Å; Q511-M513 PolarHBondContact O-N 2.94Å; M513-I515 PolarHBondContact O-N 3.12Å; M513-R516 PolarHBondContact O-N 2.66Å; M513-A517 WeakPolarHBondContact O-CB 3.46Å; M513-A517 PolarHBondContact O-N 3.16Å |
| 514 | Y | 83.9 | Confident | 76.3 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 25% | 0.247 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.9 | -73.8 | -54.3 | 0 | 0 | 0 | 112.4 | I458 E462 L510 Q511 R516 A517 Y520 | I458-Y514 HydrophobicContact CG2-CD1 4.15Å; I458-Y514 HydrophobicContact CG2-CE1 3.45Å; I458-Y514 VanDerWaalsContact CG2-CE1 3.45Å; E462-Y514 WeakPolarHBondContact CG-OH 3.23Å; E462-Y514 PolarHBondContact OE1-OH 3.29Å; L510-Y514 HydrophobicContact CD1-CD2 4.22Å; L510-Y514 HydrophobicContact CD1-CE2 3.65Å; L510-Y514 HydrophobicContact CD2-CE2 4.04Å; L510-Y514 HydrophobicContact CG-CD2 4.03Å; L510-Y514 HydrophobicContact CG-CE2 3.56Å; L510-Y514 VanDerWaalsContact O-CD2 3.27Å; L510-Y514 WeakPolarHBondContact O-CD2 3.27Å; L510-Y514 PolarHBondContact O-N 3.22Å; Q511-Y514 PolarHBondContact O-N 2.95Å; Y514-R516 VanDerWaalsContact C-N 3.32Å; Y514-R516 PolarHBondContact O-N 3.08Å; Y514-A517 PolarHBondContact O-N 3.38Å; Y514-Y520 HydrophobicContact CD1-CD1 4.2Å; Y514-Y520 HydrophobicContact CD1-CG 4.1Å; Y514-Y520 HydrophobicContact CE1-CD1 4Å; Y514-Y520 HydrophobicContact CE1-CG 4.36Å |
| 515 | I | 83.3 | Confident | 73.7 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 177.6 | -67.3 | 165 | 0 | 0 | 0 | 111.3 | Q511 D512 M513 R521 | Q511-I515 HydrophobicContact CG-CD1 4.19Å; Q511-I515 WeakPolarHBondContact O-CG1 3.24Å; Q511-I515 PolarHBondContact O-N 2.9Å; Q511-I515 VanDerWaalsContact O-N 3.1Å; D512-I515 PolarHBondContact O-N 3.18Å; M513-I515 PolarHBondContact O-N 3.12Å; I515-R521 PolarHBondContact O-NH2 3.41Å |
| 516 | R | 82.2 | Confident | 71.2 | Confident | 169 Ų | 169 | 97 Ų | 97 | 64% | 0.638 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -81 | -20.7 | -176.7 | -161.7 | 173.8 | -68.3 | 127.5 | 3.8 | 113.3 | D512 M513 Y514 P518 | D512-R516 WeakPolarHBondContact O-CB 3.47Å; D512-R516 PolarHBondContact O-N 2.92Å; D512-R516 IonicContact OD2-CZ 2.74Å; D512-R516 IonicContact OD2-NH1 3.62Å; D512-R516 PolarHBondContact OD2-NH1 3.28Å; D512-R516 IonicContact OD2-NH2 2.67Å; D512-R516 PolarHBondContact OD2-NH2 3.24Å; M513-R516 PolarHBondContact O-N 2.66Å; Y514-R516 VanDerWaalsContact C-N 3.32Å; Y514-R516 PolarHBondContact O-N 3.08Å; R516-P518 WeakPolarHBondContact O-CD 3.34Å |
| 517 | A | 72.7 | Confident | 68.9 | Low | 20 Ų | 20 | 101.1 Ų | 101.1 | 17% | 0.165 | 52% | 0.52 | C | S | . | . | trans | -94.3 | 107.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I458 M513 Y514 K519 Y520 | I458-A517 HydrophobicContact CD1-CB 3.72Å; M513-A517 WeakPolarHBondContact O-CB 3.46Å; M513-A517 PolarHBondContact O-N 3.16Å; Y514-A517 PolarHBondContact O-N 3.38Å; A517-K519 PolarHBondContact O-N 3.33Å; A517-Y520 HydrophobicContact CB-CD2 3.88Å; A517-Y520 HydrophobicContact CB-CE2 4.47Å; A517-Y520 PolarHBondContact O-N 3.44Å | ||
| 518 | P | 62.2 | Low | 66.3 | Low | 104 Ų | 104 | 105 Ų | 105 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.7 | -175.1 | 25.1 | -34.7 | 0 | 0 | 0 | 114.1 | R516 Y520 | R516-P518 WeakPolarHBondContact O-CD 3.34Å; P518-Y520 VanDerWaalsContact C-N 3.26Å; P518-Y520 PolarHBondContact O-N 3.48Å |
| 519 | K | 63.6 | Low | 63.9 | Low | 191 Ų | 191 | 101.8 Ų | 101.8 | 83% | 0.83 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -69 | -16.4 | 179.8 | -67.3 | -173.3 | 177.4 | -176.9 | 0 | 114.7 | A517 | A517-K519 PolarHBondContact O-N 3.33Š|
| 520 | Y | 57 | Low | 61.3 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 35% | 0.349 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -112.9 | 7.8 | -174.7 | -60.3 | -100.1 | 0 | 0 | 0 | 112.9 | D456 I458 Y514 A517 P518 V522 | D456-Y520 PolarHBondContact OD2-OH 3.29Å; D456-Y520 VanDerWaalsContact OD2-OH 3.1Å; I458-Y520 HydrophobicContact CD1-CD2 3.66Å; I458-Y520 HydrophobicContact CD1-CE2 3.43Å; I458-Y520 VanDerWaalsContact CD1-CE2 3.43Å; I458-Y520 HydrophobicContact CD1-CG 4.35Å; I458-Y520 HydrophobicContact CG2-CE1 4.25Å; Y514-Y520 HydrophobicContact CD1-CD1 4.2Å; Y514-Y520 HydrophobicContact CD1-CG 4.1Å; Y514-Y520 HydrophobicContact CE1-CD1 4Å; Y514-Y520 HydrophobicContact CE1-CG 4.36Å; A517-Y520 HydrophobicContact CB-CD2 3.88Å; A517-Y520 HydrophobicContact CB-CE2 4.47Å; A517-Y520 PolarHBondContact O-N 3.44Å; P518-Y520 VanDerWaalsContact C-N 3.26Å; P518-Y520 PolarHBondContact O-N 3.48Å; Y520-V522 PolarHBondContact O-N 3Å |
| 521 | R | 53.6 | Low | 59 | Low | 181 Ų | 181 | 107.2 Ų | 107.2 | 68% | 0.683 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -71 | 3.6 | -178.2 | -72.1 | -171.3 | 172.6 | -164.7 | -3.7 | 115.2 | I515 | I515-R521 PolarHBondContact O-NH2 3.41Š|
| 522 | V | 49.6 | Very low | 56.5 | Low | 139 Ų | 139 | 107.9 Ų | 107.9 | 84% | 0.842 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -136.4 | 116 | 179 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | Y520 | Y520-V522 PolarHBondContact O-N 3Š|
| 523 | G | 41 | Very low | 53.8 | Low | 76 Ų | 76 | 111.2 Ų | 111.2 | 78% | 0.784 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 126.3 | -28.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 524 | S | 42.2 | Very low | 51.3 | Low | 109 Ų | 109 | 114 Ų | 114 | 76% | 0.762 | 61% | 0.611 | S | S | * | * | trans | -127.6 | 115.5 | -171.1 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 525 | K | 40.2 | Very low | 48.7 | Very low | 200 Ų | 200 | 116.8 Ų | 116.8 | 87% | 0.87 | 64% | 0.637 | S | S | * | * | trans | -77.8 | 132.5 | 167.5 | -72.4 | -175.3 | 178.6 | -179.8 | 0 | 109.5 | V527 | K525-V527 PolarHBondContact O-N 3.39Š| ||
| 526 | P | 42.3 | Very low | 46.5 | Very low | 71 Ų | 71 | 119 Ų | 119 | 46% | 0.461 | 65% | 0.649 | S | S | . | * | trans | -68.6 | 130.6 | 173.3 | 27.9 | -32.9 | 0 | 0 | 0 | 110.3 | C528 | P526-C528 PolarHBondContact O-N 3.09Š| ||
| 527 | V | 44 | Very low | 44.1 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | trans | -79.9 | 98.1 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | K525 V529 | K525-V527 PolarHBondContact O-N 3.39Å; V527-V529 HydrophobicContact CG1-CG2 4.24Å | ||
| 528 | C | 38.7 | Very low | 42 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -74.8 | 122.8 | 170.5 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | P526 | P526-C528 PolarHBondContact O-N 3.09Š| ||
| 529 | V | 43.1 | Very low | 40.7 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 40% | 0.4 | 70% | 0.698 | S | S | . | * | trans | -103.1 | 115.1 | 178.7 | 180 | 0 | 0 | 0 | 0 | 108.9 | V527 Y531 | V527-V529 HydrophobicContact CG1-CG2 4.24Å; V529-Y531 HydrophobicContact CB-CE2 4.26Å; V529-Y531 HydrophobicContact CG1-CE1 4.09Å; V529-Y531 HydrophobicContact CG1-CE2 4.45Å; V529-Y531 VanDerWaalsContact O-CD2 3.25Å; V529-Y531 WeakPolarHBondContact O-CD2 3.42Å; V529-Y531 WeakPolarHBondContact O-CE2 3.36Å; V529-Y531 PolarHBondContact O-N 3.42Å | ||
| 530 | E | 36.8 | Very low | 39 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -72.9 | 108.4 | 175.6 | -73.5 | -164 | 130 | 0 | 0 | 111.5 | S532 | E530-S532 VanDerWaalsContact C-N 3.25Å; E530-S532 PolarHBondContact O-N 3.32Å | ||
| 531 | Y | 39.9 | Very low | 37.9 | Very low | 61 Ų | 61 | 129.5 Ų | 129.5 | 24% | 0.239 | 73% | 0.725 | C | S | . | * | trans | -81.2 | 66.2 | 173.8 | -62.5 | -75 | 0 | 0 | 0 | 111.7 | L503 Q504 E507 V529 H533 | L503-Y531 WeakPolarHBondContact CD2-OH 3.48Å; Q504-Y531 HydrophobicContact CG-CD2 4.42Å; E507-Y531 PolarHBondContact OE2-OH 3.05Å; V529-Y531 HydrophobicContact CB-CE2 4.26Å; V529-Y531 HydrophobicContact CG1-CE1 4.09Å; V529-Y531 HydrophobicContact CG1-CE2 4.45Å; V529-Y531 VanDerWaalsContact O-CD2 3.25Å; V529-Y531 WeakPolarHBondContact O-CD2 3.42Å; V529-Y531 WeakPolarHBondContact O-CE2 3.36Å; V529-Y531 PolarHBondContact O-N 3.42Å; Y531-H533 PolarHBondContact O-N 3.1Å | ||
| 532 | S | 36.1 | Very low | 36.9 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | trans | -68 | 109.1 | -179.7 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | E530 S534 | E530-S532 VanDerWaalsContact C-N 3.25Å; E530-S532 PolarHBondContact O-N 3.32Å; S532-S534 PolarHBondContact O-N 2.86Å | ||
| 533 | H | 33.8 | Very low | 35.8 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | trans | -87.3 | 78.2 | -177.3 | -78.3 | -41.9 | 0 | 0 | 0 | 113.2 | Y531 | Y531-H533 PolarHBondContact O-N 3.1Š| ||
| 534 | S | 31 | Very low | 35.5 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | -122.8 | 95.2 | 174.3 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | S532 L536 | S532-S534 PolarHBondContact O-N 2.86Å; S534-L536 PolarHBondContact O-N 2.93Å | ||
| 535 | P | 30.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | trans | -88.5 | 98.7 | 179.6 | 33.3 | -32 | 0 | 0 | 0 | 111.9 | ||||
| 536 | L | 35.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -162.8 | 154.2 | 163.8 | -104.7 | 161.1 | 0 | 0 | 0 | 111.4 | S534 | S534-L536 PolarHBondContact O-N 2.93Š| ||
| 537 | K | 33.3 | Very low | 34 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 4.4 | 121.4 | 163.1 | -57.7 | 162.8 | -174.1 | 177 | 0 | 116.1 | ||||
| 538 | G | 28 | Very low | 33.6 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | cis | 91.5 | 66 | 26.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 539 | S | 33.9 | Very low | 33.4 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -163.4 | 164.8 | 161.8 | -114.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 540 | R | 29 | Very low | 32.9 | Very low | 231 Ų | 231 | 137.9 Ų | 137.9 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 160.5 | 176.7 | -52.8 | 164.9 | -149 | -176.4 | 4.4 | 110.5 | ||||
| 541 | I | 33.5 | Very low | 32.7 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | -166.9 | 164.6 | 123.7 | -98.6 | 158.4 | 0 | 0 | 0 | 110.1 | |||||
| 542 | H | 32 | Very low | 32.5 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -74.6 | 158.6 | -163.2 | -68.1 | -119.9 | 0 | 0 | 0 | 114.4 | ||||
| 543 | A | 27.3 | Very low | 32.1 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -92.1 | 135.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 544 | S | 34.4 | Very low | 32.1 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -152.7 | 130.7 | 172.4 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 545 | N | 29 | Very low | 32 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -84.7 | 151.2 | -167.2 | -57.5 | -30 | 0 | 0 | 0 | 113.6 | ||||
| 546 | T | 34 | Very low | 32 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 90% | 0.896 | 84% | 0.837 | S | S | * | * | trans | 161.3 | 156.5 | 147 | 33 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 547 | C | 30.5 | Very low | 31.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | cis | -164.8 | 151.8 | -27.1 | -176.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 548 | G | 34.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | 162.5 | 97.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 549 | Q | 34.9 | Very low | 31.9 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | -60.6 | 146 | -179.4 | -59.6 | 162 | -14.7 | 0 | 0 | 114.3 | ||||
| 550 | M | 33.4 | Very low | 31.8 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | -165.6 | 162.5 | 99.6 | -99.9 | -163.7 | 176.3 | 0 | 0 | 112.2 | |||||
| 551 | S | 31.7 | Very low | 32 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -117.7 | 149.4 | -155.3 | -50.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 552 | T | 35.7 | Very low | 31.8 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | trans | -166.7 | 152.1 | 133.9 | 11.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 553 | N | 28.4 | Very low | 31.8 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -105 | 142.7 | -169.1 | -62.5 | -51.5 | 0 | 0 | 0 | 113.5 | ||||
| 554 | V | 33.5 | Very low | 31.9 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -146.2 | 132.6 | 140.7 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 555 | Q | 29.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 77% | 0.771 | 84% | 0.835 | S | S | * | * | trans | -79.2 | 147.5 | 176.1 | -57.4 | 100.5 | -52.6 | 0 | 0 | 113.2 | ||||
| 556 | R | 30.1 | Very low | 31.8 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | -171.3 | 155.9 | 108 | -100.2 | 170.5 | -169.8 | -152.3 | 1.7 | 113.9 | |||||
| 557 | S | 32.3 | Very low | 31.6 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | -56.3 | 156.2 | 173 | 49 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 558 | G | 29.5 | Very low | 31.4 | Very low | 67 Ų | 67 | 156.3 Ų | 156.3 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | cis | 138.3 | 101.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 559 | D | 32 | Very low | 31.1 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -106.5 | 141.6 | 179.9 | -64.3 | -62.4 | 0 | 0 | 0 | 111.5 | ||||
| 560 | T | 32.4 | Very low | 30.8 | Very low | 134 Ų | 134 | 160.7 Ų | 160.7 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -106 | 106.6 | -178.2 | 41.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 561 | E | 32.7 | Very low | 30.8 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -74 | 122.9 | 173.5 | -167.2 | 172.3 | -146.2 | 0 | 0 | 111.4 | N563 | E561-N563 PolarHBondContact O-N 3.1Š| ||
| 562 | Y | 29.8 | Very low | 30.8 | Very low | 220 Ų | 220 | 163.6 Ų | 163.6 | 86% | 0.863 | 83% | 0.825 | S | S | * | * | trans | -80 | 102.7 | -172.6 | -125.3 | -95.2 | 0 | 0 | 0 | 111.3 | E564 | Y562-E564 PolarHBondContact O-N 2.94Š| ||
| 563 | N | 31.1 | Very low | 30.6 | Very low | 137 Ų | 137 | 163.7 Ų | 163.7 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | trans | -71.6 | 109.3 | 175.6 | -97.6 | -91.3 | 0 | 0 | 0 | 111.5 | E561 R565 | E561-N563 PolarHBondContact O-N 3.1Å; N563-R565 PolarHBondContact O-N 2.88Å | ||
| 564 | E | 30.7 | Very low | 30.9 | Very low | 184 Ų | 184 | 160.3 Ų | 160.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 103.2 | 165.7 | -75.2 | -164.9 | 130.1 | 0 | 0 | 110.4 | Y562 V566 | Y562-E564 PolarHBondContact O-N 2.94Å; E564-V566 PolarHBondContact O-N 3.19Å | ||
| 565 | R | 30 | Very low | 30.9 | Very low | 226 Ų | 226 | 159 Ų | 159 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -72 | 96.4 | 173.6 | -72.5 | -177.1 | 175 | 179.5 | -0.5 | 110.3 | N563 I567 | N563-R565 PolarHBondContact O-N 2.88Å; R565-I567 PolarHBondContact O-N 3.05Å | ||
| 566 | V | 30.3 | Very low | 31 | Very low | 121 Ų | 121 | 159.3 Ų | 159.3 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | -60.9 | 104.5 | 161.3 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | E564 F568 | E564-V566 PolarHBondContact O-N 3.19Å; V566-F568 HydrophobicContact CG1-CD2 4.24Å; V566-F568 HydrophobicContact CG1-CE2 4.38Å; V566-F568 PolarHBondContact O-N 3.34Å | ||
| 567 | I | 29.4 | Very low | 31 | Very low | 141 Ų | 141 | 153 Ų | 153 | 72% | 0.723 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 96.1 | 179.7 | -59.7 | -178 | 0 | 0 | 0 | 109 | R565 C569 | R565-I567 PolarHBondContact O-N 3.05Å; I567-C569 PolarHBondContact O-N 2.78Å | ||
| 568 | F | 26.5 | Very low | 31 | Very low | 181 Ų | 181 | 153.6 Ų | 153.6 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -69.7 | 94.2 | 164.8 | -99.4 | -90.5 | 0 | 0 | 0 | 110.1 | V566 R570 | V566-F568 HydrophobicContact CG1-CD2 4.24Å; V566-F568 HydrophobicContact CG1-CE2 4.38Å; V566-F568 PolarHBondContact O-N 3.34Å; F568-R570 PolarHBondContact O-N 3.08Å | ||
| 569 | C | 29.7 | Very low | 31.1 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -66.2 | 98 | 163.8 | -73.4 | 0 | 0 | 0 | 0 | 109.4 | I567 S571 | I567-C569 PolarHBondContact O-N 2.78Å; C569-S571 PolarHBondContact O-N 2.89Å | ||
| 570 | R | 28.2 | Very low | 31 | Very low | 234 Ų | 234 | 155.8 Ų | 155.8 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 106.1 | 172.9 | -70.3 | 177.7 | 172.6 | 174.4 | -4 | 110.2 | F568 | F568-R570 PolarHBondContact O-N 3.08Š| ||
| 571 | S | 32.8 | Very low | 31 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 136.1 | 153.2 | -67.4 | 0 | 0 | 0 | 0 | 108.8 | C569 | C569-S571 PolarHBondContact O-N 2.89Š| ||
| 572 | R | 32.7 | Very low | 31 | Very low | 227 Ų | 227 | 155.3 Ų | 155.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -104.5 | 126.9 | -169.6 | -169.5 | 179 | -175.5 | -179.3 | -0.3 | 111.1 | ||||
| 573 | D | 31.8 | Very low | 31.2 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 13.6 | 112.7 | 158.8 | -45.5 | -55.2 | 0 | 0 | 0 | 118.4 | ||||
| 574 | G | 32.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 151.3 Ų | 151.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -150 | 92.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 575 | S | 34.5 | Very low | 31.3 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 150 | -172.7 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 576 | L | 31.9 | Very low | 31.5 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -173.7 | 138.5 | 131.1 | -100.2 | 169.1 | 0 | 0 | 0 | 110.1 | ||||
| 577 | P | 30.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -111.9 | 147.8 | -176.2 | 38.9 | -31 | 0 | 0 | 0 | 114.7 | ||||
| 578 | C | 31.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -167 | 159.9 | 153.8 | -95.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 579 | S | 31.8 | Very low | 32.5 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -173.5 | 154.8 | -34.1 | -98.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 580 | F | 28.8 | Very low | 32.6 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 79% | 0.789 | 80% | 0.801 | S | S | * | * | trans | -3.8 | 141.8 | 162.8 | -74 | -99.3 | 0 | 0 | 0 | 118.9 | ||||
| 581 | S | 34.1 | Very low | 33 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | cis | -170.7 | 145.7 | 41.9 | 27.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 582 | R | 32.1 | Very low | 33.1 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | 34.8 | 135.2 | 130 | -68.1 | -179.4 | 171.5 | -178.5 | -1.9 | 122.9 | |||||
| 583 | I | 34.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 75.4 | 143 | 134.2 | -67.4 | 171.5 | 0 | 0 | 0 | 114.8 | ||||
| 584 | D | 32.5 | Very low | 33.4 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | cis | -136.7 | -177.6 | 23.9 | -139.5 | -32.3 | 0 | 0 | 0 | 116.1 | ||||
| 585 | N | 31.3 | Very low | 33.6 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -100.9 | 162.7 | 174.6 | -48.3 | -95.9 | 0 | 0 | 0 | 111.4 | ||||
| 586 | T | 34.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -157.9 | 146.9 | 143.2 | -77.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 587 | L | 32.2 | Very low | 33.8 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | trans | -93.9 | 155.4 | -178.4 | -71.3 | 72.3 | 0 | 0 | 0 | 111.8 | ||||
| 588 | M | 39.2 | Very low | 33.9 | Very low | 190 Ų | 190 | 128.4 Ų | 128.4 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -145.3 | 123.2 | 142 | -87.3 | -57.4 | -179.1 | 0 | 0 | 110.2 | ||||
| 589 | P | 34.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -113.5 | 145.1 | 174.1 | 37.5 | -28.3 | 0 | 0 | 0 | 113.7 | ||||
| 590 | G | 33.8 | Very low | 34 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 149.8 | 145.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 591 | A | 35.9 | Very low | 34.1 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | cis | -140.3 | 171.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 592 | S | 33.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 144.1 | -176.6 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 593 | G | 35.7 | Very low | 34.2 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -140.2 | 117.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 594 | S | 36.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -3.5 | 142.9 | 174 | -156.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 595 | A | 36.8 | Very low | 33.9 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -83.7 | 162.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 596 | G | 33.7 | Very low | 34.2 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -148.5 | 109.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 597 | P | 35.8 | Very low | 34 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -109.2 | 175.6 | -174.5 | 39.6 | -33.8 | 0 | 0 | 0 | 114.2 | ||||
| 598 | K | 34.5 | Very low | 34 | Very low | 190 Ų | 190 | 125 Ų | 125 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 78.3 | 133.6 | 174.9 | -53 | 171.8 | -174.4 | 176.6 | 0 | 114 | ||||
| 599 | S | 31.5 | Very low | 33.5 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | cis | 135.1 | 108.7 | -8 | 59.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 600 | V | 33.6 | Very low | 33.4 | Very low | 152 Ų | 152 | 123.8 Ų | 123.8 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -136.2 | 142.4 | 157.9 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 601 | S | 30.7 | Very low | 33.2 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | -138.9 | -167.6 | -178.4 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 602 | I | 33.7 | Very low | 32.8 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | 81.7 | 134.3 | 171.2 | -50 | 147.5 | 0 | 0 | 0 | 113.7 | ||||
| 603 | P | 33.4 | Very low | 32.8 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | cis | -143.7 | 172.6 | -33.8 | 41.2 | -22.8 | 0 | 0 | 0 | 116.3 | ||||
| 604 | N | 32.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 14.7 | 139.7 | 141.6 | -53.5 | -15.8 | 0 | 0 | 0 | 123.1 | ||||
| 605 | S | 28.7 | Very low | 32.3 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 151.7 | 164.7 | -34.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 606 | P | 37.3 | Very low | 32 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133.7 | 163.4 | 33.6 | -30.8 | 0 | 0 | 0 | 111.9 | ||
| 607 | N | 30 | Very low | 32 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 135.8 | 163.5 | -85.6 | -60.6 | 0 | 0 | 0 | 109.8 | ||
| 608 | L | 33.3 | Very low | 31.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -136.4 | 94.6 | 165.8 | -82.5 | 175.7 | 0 | 0 | 0 | 111.1 | ||||
| 609 | N | 28.8 | Very low | 31.6 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -78.9 | 141.4 | 151.4 | -84.9 | -53.7 | 0 | 0 | 0 | 108.5 | ||||
| 610 | V | 31.9 | Very low | 31.3 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -169.5 | 131.6 | 136.9 | 134.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 611 | R | 29.2 | Very low | 31.1 | Very low | 242 Ų | 242 | 140 Ų | 140 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | 36.9 | 129.9 | 158.8 | -66.7 | -179 | 164.7 | 133.9 | -2.1 | 121.6 | ||||
| 612 | A | 28.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 147 Ų | 147 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -103.7 | 148.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 613 | A | 32.2 | Very low | 30.7 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -162.3 | 146.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 614 | N | 31.7 | Very low | 30.6 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | cis | -134.1 | 164 | 1.5 | -102.2 | -25.6 | 0 | 0 | 0 | 110.5 | ||||
| 615 | Q | 31.4 | Very low | 30.4 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | trans | -88.8 | 144.5 | 170.4 | -66.8 | -175 | 2.3 | 0 | 0 | 111.8 | H617 | Q615-H617 PolarHBondContact OE1-CE1 3.18Š| ||
| 616 | G | 30.9 | Very low | 30.5 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -119.8 | 111.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 617 | H | 32.3 | Very low | 30 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 69% | 0.694 | 83% | 0.83 | S | S | * | * | trans | -77.9 | 150.6 | 171.8 | -93 | 53.2 | 0 | 0 | 0 | 110.6 | Q615 | Q615-H617 PolarHBondContact OE1-CE1 3.18Š| ||
| 618 | L | 32 | Very low | 29.9 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | -178.6 | 140.7 | 105.1 | -93.9 | 166.5 | 0 | 0 | 0 | 114 | |||||
| 619 | R | 30.6 | Very low | 29.6 | Very low | 234 Ų | 234 | 151.9 Ų | 151.9 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | 40.1 | 111.6 | 152 | -69.5 | 175.9 | 177.2 | -147 | -1.7 | 119.4 | ||||
| 620 | G | 25.9 | Very low | 29.8 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -89 | 172.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 621 | C | 28.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | -122.6 | 140.4 | 164.6 | -86 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 622 | R | 25.5 | Very low | 30.2 | Very low | 241 Ų | 241 | 139 Ų | 139 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -74 | 139.6 | 164.4 | -73.4 | 177.2 | 168.9 | -178 | -4 | 109.4 | ||||
| 623 | Q | 31.6 | Very low | 30.7 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -162 | 158.7 | 131.8 | -107.1 | 166.2 | 39.2 | 0 | 0 | 110.1 | ||||
| 624 | P | 30.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -88.9 | 159.7 | -167.4 | 36.3 | -35.7 | 0 | 0 | 0 | 112.7 | ||||
| 625 | L | 28.9 | Very low | 31.2 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 94% | 0.937 | 72% | 0.721 | S | S | * | * | trans | -166.3 | 166.7 | 151.1 | -106.6 | 158.4 | 0 | 0 | 0 | 111 | ||||
| 626 | G | 29.1 | Very low | 31.9 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -64.7 | 132 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y628 | G626-Y628 PolarHBondContact O-N 2.7Š| ||
| 627 | G | 26.9 | Very low | 32.9 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 68% | 0.676 | S | S | * | * | trans | -77.3 | 115.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R629 | G627-R629 PolarHBondContact O-N 2.75Š| ||
| 628 | Y | 28.6 | Very low | 33.6 | Very low | 212 Ų | 212 | 123.7 Ų | 123.7 | 83% | 0.831 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -67 | 125.9 | 167.6 | -95.4 | -102.3 | 0 | 0 | 0 | 110.6 | G626 P630 | G626-Y628 PolarHBondContact O-N 2.7Å; Y628-P630 WeakPolarHBondContact O-CD 3.46Å |
| 629 | R | 27.9 | Very low | 34.4 | Very low | 227 Ų | 227 | 120.2 Ų | 120.2 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 118.7 | 163.1 | -84 | -173.2 | 172.3 | -173.7 | -1.8 | 109.8 | G627 C631 | G627-R629 PolarHBondContact O-N 2.75Å; R629-C631 PolarHBondContact O-N 3.13Å |
| 630 | P | 32.5 | Very low | 35.5 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 117.4 | 163.2 | -11.4 | 28.4 | 0 | 0 | 0 | 108.5 | Y628 | Y628-P630 WeakPolarHBondContact O-CD 3.46Š|
| 631 | C | 31 | Very low | 36.8 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 62% | 0.622 | 62% | 0.619 | S | S | * | * | trans | -123.5 | 82.1 | 172.8 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | R629 | R629-C631 PolarHBondContact O-N 3.13Š| ||
| 632 | V | 38.5 | Very low | 37.8 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 42% | 0.424 | 60% | 0.596 | S | S | . | * | trans | -152.8 | 117.5 | 135 | -179.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 633 | S | 38.2 | Very low | 38.5 | Very low | 57 Ų | 57 | 107.9 Ų | 107.9 | 40% | 0.399 | 57% | 0.571 | S | S | . | * | trans | -97.2 | 137 | 166.4 | -72.9 | 0 | 0 | 0 | 0 | 108.1 | H635 | S633-H635 PolarHBondContact O-CD2 3.13Å; S633-H635 PolarHBondContact O-N 3.13Å | ||
| 634 | Y | 33.1 | Very low | 39.1 | Very low | 43 Ų | 43 | 102.9 Ų | 102.9 | 17% | 0.169 | 56% | 0.555 | C | S | . | * | trans | -59.2 | 107.3 | 175.9 | -99.9 | -101.7 | 0 | 0 | 0 | 110.9 | I304 Q308 R639 Q713 | I304-Y634 HydrophobicContact CD1-CE2 4.05Å; I304-Y634 WeakPolarHBondContact CD1-OH 3.17Å; I304-Y634 HydrophobicContact CG2-CE2 3.88Å; Q308-Y634 VanDerWaalsContact OE1-CE1 3.28Å; Y634-R639 VanDerWaalsContact O-CD 3.22Å; Y634-R639 WeakPolarHBondContact O-CD 3.38Å; Y634-R639 PolarHBondContact O-NH1 2.62Å; Y634-Q713 VanDerWaalsContact CD2-OE1 3.3Å; Y634-Q713 VanDerWaalsContact CE2-NE2 3.32Å | ||
| 635 | H | 41.8 | Very low | 39.6 | Very low | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | trans | -115.1 | 63.3 | 177.9 | -69.5 | -54.6 | 0 | 0 | 0 | 110.6 | S633 | S633-H635 PolarHBondContact O-CD2 3.13Å; S633-H635 PolarHBondContact O-N 3.13Å | ||
| 636 | S | 47.1 | Very low | 40 | Very low | 17 Ų | 17 | 99.2 Ų | 99.2 | 12% | 0.119 | 54% | 0.535 | C | S | . | . | trans | -79.3 | 148.6 | 165.6 | 67.5 | 0 | 0 | 0 | 0 | 110.5 | Y638 R639 Q640 | S636-Y638 PolarHBondContact O-N 3.49Å; S636-R639 PolarHBondContact O-N 3.44Å; S636-R639 WeakPolarHBondContact OG-CB 3.49Å; S636-R639 PolarHBondContact OG-N 3.49Å; S636-Q640 PolarHBondContact O-N 3.46Å; S636-Q640 VanDerWaalsContact O-N 3.11Å | ||
| 637 | T | 51.6 | Low | 40.4 | Very low | 89 Ų | 89 | 99.4 Ų | 99.4 | 55% | 0.546 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56 | -40.7 | 173.4 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | R639 Q640 Q641 | T637-R639 VanDerWaalsContact C-N 3.29Å; T637-R639 PolarHBondContact O-N 3.44Å; T637-Q640 PolarHBondContact O-N 3.05Å; T637-Q641 WeakPolarHBondContact O-CB 3.45Å; T637-Q641 WeakPolarHBondContact O-CG 3.37Å; T637-Q641 PolarHBondContact O-N 3.19Å |
| 638 | Y | 46.7 | Very low | 40.9 | Very low | 114 Ų | 114 | 99.6 Ų | 99.6 | 45% | 0.447 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54 | -41.8 | 172.2 | -179.3 | -90.9 | 0 | 0 | 0 | 112.7 | S636 N642 | S636-Y638 PolarHBondContact O-N 3.49Å; Y638-N642 WeakPolarHBondContact CD2-ND2 3.48Å; Y638-N642 WeakPolarHBondContact CE2-ND2 3.32Å; Y638-N642 WeakPolarHBondContact O-CB 3.41Å; Y638-N642 PolarHBondContact O-N 2.83Å; Y638-N642 PolarHBondContact O-ND2 2.83Å |
| 639 | R | 47.8 | Very low | 41.2 | Very low | 73 Ų | 73 | 98.7 Ų | 98.7 | 28% | 0.275 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.8 | -36.5 | 179.9 | -161.6 | -176 | -168.4 | -162.3 | 2.3 | 112.3 | Y634 S636 T637 F643 | Y634-R639 VanDerWaalsContact O-CD 3.22Å; Y634-R639 WeakPolarHBondContact O-CD 3.38Å; Y634-R639 PolarHBondContact O-NH1 2.62Å; S636-R639 PolarHBondContact O-N 3.44Å; S636-R639 WeakPolarHBondContact OG-CB 3.49Å; S636-R639 PolarHBondContact OG-N 3.49Å; T637-R639 VanDerWaalsContact C-N 3.29Å; T637-R639 PolarHBondContact O-N 3.44Å; R639-F643 HydrophobicContact CG-CB 4.46Å; R639-F643 CarbonylContact O-C 3.49Å; R639-F643 WeakPolarHBondContact O-CA 3.24Å; R639-F643 PolarHBondContact O-N 3Å |
| 640 | Q | 54.4 | Low | 41.5 | Very low | 108 Ų | 108 | 93.9 Ų | 93.9 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 173.8 | -68.2 | 176.5 | -11.4 | 0 | 0 | 111.7 | S636 T637 | S636-Q640 PolarHBondContact O-N 3.46Å; S636-Q640 VanDerWaalsContact O-N 3.11Å; T637-Q640 PolarHBondContact O-N 3.05Å |
| 641 | Q | 53.7 | Low | 41.4 | Very low | 154 Ų | 154 | 93.5 Ų | 93.5 | 72% | 0.72 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.8 | -40.1 | -179.7 | -71.9 | 173.3 | -8.8 | 0 | 0 | 113.1 | T637 | T637-Q641 WeakPolarHBondContact O-CB 3.45Å; T637-Q641 WeakPolarHBondContact O-CG 3.37Å; T637-Q641 PolarHBondContact O-N 3.19Å |
| 642 | N | 48.7 | Very low | 41.4 | Very low | 83 Ų | 83 | 96.6 Ų | 96.6 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -98 | -20.9 | -174 | -64.2 | -81 | 0 | 0 | 0 | 114.5 | Y638 | Y638-N642 WeakPolarHBondContact CD2-ND2 3.48Å; Y638-N642 WeakPolarHBondContact CE2-ND2 3.32Å; Y638-N642 WeakPolarHBondContact O-CB 3.41Å; Y638-N642 PolarHBondContact O-N 2.83Å; Y638-N642 PolarHBondContact O-ND2 2.83Å |
| 643 | F | 41.4 | Very low | 41.1 | Very low | 85 Ų | 85 | 102.5 Ų | 102.5 | 37% | 0.373 | 55% | 0.548 | S | S | . | . | trans | -139.8 | 58.6 | -175.4 | -59.6 | -77.2 | 0 | 0 | 0 | 113.3 | R639 T645 L646 | R639-F643 HydrophobicContact CG-CB 4.46Å; R639-F643 CarbonylContact O-C 3.49Å; R639-F643 WeakPolarHBondContact O-CA 3.24Å; R639-F643 PolarHBondContact O-N 3Å; F643-T645 PolarHBondContact O-N 3.38Å; F643-T645 VanDerWaalsContact O-N 3.09Å; F643-L646 HydrophobicContact CB-CD1 4.26Å; F643-L646 PolarHBondContact O-N 2.93Å | ||
| 644 | P | 42.4 | Very low | 40.8 | Very low | 88 Ų | 88 | 109.3 Ų | 109.3 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -61.7 | -19.8 | -175.8 | 25.4 | -35.7 | 0 | 0 | 0 | 114.5 | L646 | P644-L646 VanDerWaalsContact C-N 3.28Å; P644-L646 PolarHBondContact O-N 3.15Å |
| 645 | T | 41.6 | Very low | 40.7 | Very low | 134 Ų | 134 | 110.3 Ų | 110.3 | 82% | 0.822 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -77.8 | 0.8 | 179.1 | 36.4 | 0 | 0 | 0 | 0 | 115.3 | F643 | F643-T645 PolarHBondContact O-N 3.38Å; F643-T645 VanDerWaalsContact O-N 3.09Å |
| 646 | L | 37.9 | Very low | 40.2 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 43% | 0.429 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -112.1 | 10.6 | -175.4 | -65.4 | 179.4 | 0 | 0 | 0 | 115.3 | F643 P644 | F643-L646 HydrophobicContact CB-CD1 4.26Å; F643-L646 PolarHBondContact O-N 2.93Å; P644-L646 VanDerWaalsContact C-N 3.28Å; P644-L646 PolarHBondContact O-N 3.15Å |
| 647 | T | 37.5 | Very low | 39.3 | Very low | 72 Ų | 72 | 127 Ų | 127 | 44% | 0.442 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -84.5 | 121.2 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | Q649 | T647-Q649 PolarHBondContact O-N 3.09Š|
| 648 | S | 37.5 | Very low | 38.3 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | trans | -65.4 | 113.2 | 179 | 53 | 0 | 0 | 0 | 0 | 112.2 | T650 | S648-T650 PolarHBondContact O-N 3.33Š| ||
| 649 | Q | 34.2 | Very low | 37.4 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 91% | 0.907 | 69% | 0.691 | S | S | * | * | trans | -72.4 | 110.7 | 174.1 | -65.8 | -179.6 | 0.4 | 0 | 0 | 110.8 | T647 | T647-Q649 PolarHBondContact O-N 3.09Š| ||
| 650 | T | 34.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | trans | -91.4 | 110.8 | 160.4 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | S648 | S648-T650 PolarHBondContact O-N 3.33Š| ||
| 651 | A | 30.4 | Very low | 35.3 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | -79.3 | 157.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 652 | N | 31 | Very low | 34.3 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | 66.8 | 129.3 | -169.9 | -54.8 | -13 | 0 | 0 | 0 | 112.6 | ||||
| 653 | E | 32.1 | Very low | 33.4 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | cis | -126.5 | -179.8 | 26.5 | -64.2 | -179.3 | 136.7 | 0 | 0 | 114.5 | ||||
| 654 | Q | 30.5 | Very low | 32.9 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -98.3 | 124.8 | -177.6 | -63 | 173.9 | -14.5 | 0 | 0 | 110.9 | ||||
| 655 | G | 31.2 | Very low | 32.4 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -166.4 | 46.8 | -170 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 656 | Y | 32.8 | Very low | 31.8 | Very low | 239 Ų | 239 | 136.2 Ų | 136.2 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 170 | 163.3 | -54.9 | -76.5 | 0 | 0 | 0 | 118.1 | ||||
| 657 | R | 27.3 | Very low | 31.6 | Very low | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -107.8 | 149.4 | -165.2 | -55.4 | 173.8 | 179.9 | 171 | -1.6 | 111.8 | ||||
| 658 | L | 30.5 | Very low | 31.4 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | -163 | 158.8 | 110.1 | -101.8 | 164.8 | 0 | 0 | 0 | 109.4 | |||||
| 659 | A | 27 | Very low | 31.2 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -127.7 | 145.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 660 | S | 32.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -117.3 | 154.3 | 169.7 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 661 | L | 26.4 | Very low | 31 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -117.6 | 130.8 | -174.2 | -72.3 | 159.9 | 0 | 0 | 0 | 109.9 | ||||
| 662 | S | 32.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -157.1 | 112.8 | 158.5 | 46.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 663 | A | 30.6 | Very low | 31 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -95.4 | -175.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 664 | S | 31.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | cis | -165.4 | 160 | -6 | 20.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 665 | L | 30.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | cis | -161.6 | 171.6 | 3.1 | -121.9 | 167.8 | 0 | 0 | 0 | 108 | ||||
| 666 | S | 29.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -143.8 | 141 | 157 | 67.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 667 | S | 32.2 | Very low | 31.2 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -151.5 | 135.6 | -177.8 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 668 | S | 33.3 | Very low | 31.6 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -142 | 107 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 669 | F | 34.4 | Very low | 31.8 | Very low | 197 Ų | 197 | 124.2 Ų | 124.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -92.1 | 136.7 | 167.5 | -87.9 | -90.9 | 0 | 0 | 0 | 109.8 | ||||
| 670 | H | 33.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | trans | -117.6 | 135.8 | 153.4 | -90 | -104.6 | 0 | 0 | 0 | 107.9 | I705 | H670-I705 HydrophobicContact CB-CD1 3.94Å; H670-I705 WeakPolarHBondContact CD2-CD1 3.35Å | ||
| 671 | S | 31.7 | Very low | 32.5 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -100.7 | 159.6 | 175 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 672 | L | 31.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 124 Ų | 124 | 60% | 0.597 | 74% | 0.739 | S | S | * | * | trans | -122.7 | 153.4 | 171.1 | -104.9 | 173.2 | 0 | 0 | 0 | 110.4 | H704 | L672-H704 HydrophobicContact CD1-CB 4.43Š| ||
| 673 | Q | 28.3 | Very low | 33.2 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -76.7 | 165.1 | -171.6 | -58.1 | 154.1 | -40.5 | 0 | 0 | 112.4 | ||||
| 674 | S | 30.1 | Very low | 33.4 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | 170.6 | 134.4 | 114.3 | -72.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 675 | V | 34.6 | Very low | 33.7 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | 52.5 | 159.8 | 165.9 | -80.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 676 | E | 32.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | cis | -161.2 | 161.4 | 5.4 | -125.9 | 153.5 | -109.3 | 0 | 0 | 107.4 | ||||
| 677 | S | 34.1 | Very low | 34.2 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -165.2 | -177.4 | -32.7 | 63 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 678 | S | 35.5 | Very low | 34.1 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 67.7 | 148.6 | 179.7 | 77 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 679 | S | 34.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | cis | -171.2 | 161 | -4.4 | 30.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 680 | A | 36.1 | Very low | 34.4 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | cis | -166.4 | -165.3 | -8.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 681 | F | 37.3 | Very low | 34.3 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 73.6 | 106.1 | -178.6 | -56.6 | -75.8 | 0 | 0 | 0 | 115 | ||||
| 682 | D | 36.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | 75.1 | 134.4 | 83.2 | -96.2 | -53.8 | 0 | 0 | 0 | 112.3 | R684 | D682-R684 IonicContact OD1-CZ 3.67Å; D682-R684 IonicContact OD1-NE 2.71Å; D682-R684 PolarHBondContact OD1-NE 3.29Å; D682-R684 IonicContact OD1-NH2 3.62Å; D682-R684 PolarHBondContact OD1-NH2 3.15Å | |||
| 683 | E | 37.3 | Very low | 34.5 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | cis | -125.6 | 152.4 | 13.1 | -59.5 | -177.1 | 92.7 | 0 | 0 | 111.7 | ||||
| 684 | R | 36.4 | Very low | 34.7 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | 53.2 | 138 | 91.7 | -43.2 | 172.4 | -159.5 | -166.1 | 6 | 114.8 | D682 | D682-R684 IonicContact OD1-CZ 3.67Å; D682-R684 IonicContact OD1-NE 2.71Å; D682-R684 PolarHBondContact OD1-NE 3.29Å; D682-R684 IonicContact OD1-NH2 3.62Å; D682-R684 PolarHBondContact OD1-NH2 3.15Å | |||
| 685 | D | 37.8 | Very low | 34.9 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | cis | -135.1 | 149 | 11 | -89.8 | -48.5 | 0 | 0 | 0 | 109.6 | ||||
| 686 | V | 34.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 142 Ų | 142 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | 104 | 145.1 | 45.3 | 169.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 687 | V | 36.5 | Very low | 34.6 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 86.6 | 127.4 | -177.6 | -164.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 688 | A | 30 | Very low | 34.6 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -158.6 | -169.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 689 | P | 40.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -126.9 | 170.1 | -66.2 | 37.8 | -25.1 | 0 | 0 | 0 | 113.1 | |||||
| 690 | L | 32.4 | Very low | 34.3 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -138 | 147.5 | 160.5 | -73.1 | 177.3 | 0 | 0 | 0 | 111.8 | ||||
| 691 | R | 31.6 | Very low | 34.1 | Very low | 238 Ų | 238 | 141.1 Ų | 141.1 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -116.8 | 161.2 | 172.9 | -73.5 | -176.3 | 174.7 | -179.3 | -1.7 | 110 | ||||
| 692 | P | 34.8 | Very low | 33.7 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -140 | 169.3 | 112.3 | 20.1 | 1.5 | 0 | 0 | 0 | 116.7 | |||||
| 693 | F | 34 | Very low | 33.6 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | trans | -24 | 165.1 | 163.1 | -59.2 | -95.5 | 0 | 0 | 0 | 119.9 | ||||
| 694 | A | 32.6 | Very low | 33.5 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -178.7 | 150.6 | -25.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 695 | K | 32.9 | Very low | 33 | Very low | 221 Ų | 221 | 138.2 Ų | 138.2 | 96% | 0.961 | 79% | 0.793 | S | S | * | * | trans | -159.8 | 150.3 | 153.5 | -117.8 | 170.8 | -175.7 | 175 | 0 | 109.9 | ||||
| 696 | A | 32.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -107.8 | 141.2 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 697 | S | 28.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -156 | 130 | 151.7 | -171 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 698 | P | 34.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -85.3 | 129.1 | -167.2 | 31.4 | -34.2 | 0 | 0 | 0 | 114.6 | ||||
| 699 | D | 31.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 43.7 | 94.7 | 148.7 | -58.1 | -16.6 | 0 | 0 | 0 | 119.9 | G701 | D699-G701 VanDerWaalsContact C-N 3.35Å; D699-G701 PolarHBondContact O-N 3.06Å | ||
| 700 | A | 32.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 94% | 0.942 | 76% | 0.764 | S | S | * | * | trans | -69.2 | 94.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 701 | G | 31.4 | Very low | 31.9 | Very low | 53 Ų | 53 | 129.8 Ų | 129.8 | 55% | 0.546 | 74% | 0.737 | S | S | . | * | trans | -85.3 | 114.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D699 | D699-G701 VanDerWaalsContact C-N 3.35Å; D699-G701 PolarHBondContact O-N 3.06Å | ||
| 702 | D | 29.1 | Very low | 32.2 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -59.6 | 137.1 | 169.8 | -100.2 | -45.8 | 0 | 0 | 0 | 110.8 | ||||
| 703 | H | 35.1 | Very low | 32.4 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 80% | 0.801 | 70% | 0.703 | S | S | * | * | trans | -125.4 | 102.7 | 177.2 | -83.3 | 17.8 | 0 | 0 | 0 | 109.7 | ||||
| 704 | H | 34.1 | Very low | 32.4 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | trans | -56.1 | 144.8 | 177 | -79.5 | -84.5 | 0 | 0 | 0 | 112.2 | L672 G706 | L672-H704 HydrophobicContact CD1-CB 4.43Å; H704-G706 PolarHBondContact O-N 3.47Å | ||
| 705 | I | 27.6 | Very low | 32.7 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | trans | -69.2 | 103.8 | -178.8 | -69.4 | 156.3 | 0 | 0 | 0 | 109.6 | H670 | H670-I705 HydrophobicContact CB-CD1 3.94Å; H670-I705 WeakPolarHBondContact CD2-CD1 3.35Å | ||
| 706 | G | 28 | Very low | 32.9 | Very low | 47 Ų | 47 | 114 Ų | 114 | 49% | 0.485 | 66% | 0.661 | S | S | . | * | trans | -107.1 | 135.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | H704 Y708 | H704-G706 PolarHBondContact O-N 3.47Å; G706-Y708 WeakPolarHBondContact O-CD2 3.33Å; G706-Y708 PolarHBondContact O-N 2.85Å | ||
| 707 | S | 26.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | trans | -69.9 | 92.7 | -178 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | N709 | S707-N709 PolarHBondContact O-N 3.39Š| ||
| 708 | Y | 28.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | trans | -72.8 | 107.7 | 174.5 | -86.3 | -86.6 | 0 | 0 | 0 | 111.5 | G706 V710 | G706-Y708 WeakPolarHBondContact O-CD2 3.33Å; G706-Y708 PolarHBondContact O-N 2.85Å; Y708-V710 PolarHBondContact O-N 3.45Å | ||
| 709 | N | 34.6 | Very low | 33.7 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 123.2 | 159.2 | -91.6 | -43.9 | 0 | 0 | 0 | 109.1 | S707 | S707-N709 PolarHBondContact O-N 3.39Š|
| 710 | V | 35.7 | Very low | 34.1 | Very low | 88 Ų | 88 | 111.4 Ų | 111.4 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 129.4 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | Y708 Q712 | Y708-V710 PolarHBondContact O-N 3.45Å; V710-Q712 PolarHBondContact O-N 2.81Å |
| 711 | P | 34.4 | Very low | 34.6 | Very low | 55 Ų | 55 | 110.1 Ų | 110.1 | 36% | 0.357 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 138.2 | 176 | -22.7 | 31.5 | 0 | 0 | 0 | 111.5 | E252 Q713 | E252-P711 WeakPolarHBondContact OE2-CG 3.27Å; P711-Q713 PolarHBondContact O-N 3.25Å; P711-Q713 VanDerWaalsContact O-N 3.1Å |
| 712 | Q | 38 | Very low | 35.3 | Very low | 142 Ų | 142 | 109.4 Ų | 109.4 | 66% | 0.664 | 56% | 0.564 | S | S | * | * | trans | -65.5 | 112.1 | 167 | -70.6 | -179.9 | -23.4 | 0 | 0 | 108.5 | V710 R714 | V710-Q712 PolarHBondContact O-N 2.81Å; Q712-R714 PolarHBondContact O-N 3.03Å | ||
| 713 | Q | 37.4 | Very low | 36 | Very low | 64 Ų | 64 | 106.6 Ų | 106.6 | 30% | 0.299 | 55% | 0.545 | S | S | . | . | trans | -59.6 | 111.5 | 169 | -69.5 | -162.8 | -17 | 0 | 0 | 109.4 | N253 Y634 P711 | N253-Q713 WeakPolarHBondContact OD1-CG 3.45Å; N253-Q713 PolarHBondContact OD1-NE2 3.43Å; Y634-Q713 VanDerWaalsContact CD2-OE1 3.3Å; Y634-Q713 VanDerWaalsContact CE2-NE2 3.32Å; P711-Q713 PolarHBondContact O-N 3.25Å; P711-Q713 VanDerWaalsContact O-N 3.1Å | ||
| 714 | R | 35.6 | Very low | 36.5 | Very low | 166 Ų | 166 | 105.5 Ų | 105.5 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | trans | -67.3 | 137.6 | 166.1 | -76.6 | 173.6 | 172.2 | -104.2 | 1.8 | 108.6 | Q712 D718 | Q712-R714 PolarHBondContact O-N 3.03Å; R714-D718 WeakPolarHBondContact CD-OD2 3.25Å; R714-D718 IonicContact CZ-OD2 2.89Å; R714-D718 IonicContact NE-OD2 2.6Å; R714-D718 IonicContact NH1-OD1 2.72Å; R714-D718 IonicContact NH1-OD2 3.23Å; R714-D718 PolarHBondContact NH1-OD2 3.43Å | ||
| 715 | T | 38.5 | Very low | 36.6 | Very low | 96 Ų | 96 | 105.4 Ų | 105.4 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | trans | -69 | 164.3 | 172.4 | 56 | 0 | 0 | 0 | 0 | 110 | W717 | T715-W717 PolarHBondContact O-N 3.26Š| ||
| 716 | S | 35.8 | Very low | 37.2 | Very low | 69 Ų | 69 | 104.9 Ų | 104.9 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 11.1 | -168.1 | 59.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 717 | W | 31.6 | Very low | 37.5 | Very low | 212 Ų | 212 | 113.1 Ų | 113.1 | 80% | 0.803 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -28.5 | -175.5 | -70.3 | 81.8 | 0 | 0 | 0 | 113.6 | T715 | T715-W717 PolarHBondContact O-N 3.26Š|
| 718 | D | 42.3 | Very low | 37.9 | Very low | 73 Ų | 73 | 112.8 Ų | 112.8 | 39% | 0.39 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -6.8 | -172.3 | -67.2 | -36.4 | 0 | 0 | 0 | 115.1 | R714 E720 C721 | R714-D718 WeakPolarHBondContact CD-OD2 3.25Å; R714-D718 IonicContact CZ-OD2 2.89Å; R714-D718 IonicContact NE-OD2 2.6Å; R714-D718 IonicContact NH1-OD1 2.72Å; R714-D718 IonicContact NH1-OD2 3.23Å; R714-D718 PolarHBondContact NH1-OD2 3.43Å; D718-E720 PolarHBondContact O-N 3.48Å; D718-C721 PolarHBondContact O-N 3.48Å; D718-C721 VanDerWaalsContact O-N 3.14Å |
| 719 | H | 38.6 | Very low | 38.2 | Very low | 20 Ų | 20 | 109.5 Ų | 109.5 | 9% | 0.093 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -61.9 | -20.1 | -168.5 | -165 | -53.6 | 0 | 0 | 0 | 113.7 | L722 E723 | H719-L722 WeakPolarHBondContact O-CB 3.38Å; H719-L722 PolarHBondContact O-N 3.13Å; H719-E723 IonicContact CE1-OE1 2.68Å |
| 720 | E | 41.1 | Very low | 38.1 | Very low | 129 Ų | 129 | 112 Ų | 112 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.4 | -25.9 | -179.3 | -148.6 | 145.4 | -87.5 | 0 | 0 | 113.2 | R257 D718 L722 | R257-E720 IonicContact CZ-OE1 3.34Å; R257-E720 IonicContact NH1-OE1 2.73Å; R257-E720 PolarHBondContact NH1-OE1 2.77Å; R257-E720 IonicContact NH2-OE1 3.75Å; D718-E720 PolarHBondContact O-N 3.48Å; E720-L722 VanDerWaalsContact C-N 3.34Å |
| 721 | C | 41.6 | Very low | 37.8 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.7 | -25 | 169 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | D718 Q724 | D718-C721 PolarHBondContact O-N 3.48Å; D718-C721 VanDerWaalsContact O-N 3.14Å; C721-Q724 PolarHBondContact O-N 2.92Å |
| 722 | L | 46.2 | Very low | 37.8 | Very low | 39 Ų | 39 | 113.6 Ų | 113.6 | 20% | 0.204 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -76.3 | -34.5 | -171.9 | -143.6 | 74.6 | 0 | 0 | 0 | 112.9 | I285 H719 E720 Q724 M725 | I285-L722 HydrophobicContact CD1-CD2 3.52Å; I285-L722 HydrophobicContact CD1-CG 3.93Å; H719-L722 WeakPolarHBondContact O-CB 3.38Å; H719-L722 PolarHBondContact O-N 3.13Å; E720-L722 VanDerWaalsContact C-N 3.34Å; L722-Q724 PolarHBondContact O-N 3.09Å; L722-M725 HydrophobicContact CD1-CE 3.76Å; L722-M725 PolarHBondContact O-N 3.19Å |
| 723 | E | 43.9 | Very low | 37.5 | Very low | 99 Ų | 99 | 113 Ų | 113 | 46% | 0.463 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -21.4 | 175.7 | -64.5 | -162.9 | 160.6 | 0 | 0 | 112.5 | K260 H719 | K260-E723 IonicContact NZ-OE1 3.68Å; K260-E723 PolarHBondContact NZ-OE1 2.97Å; K260-E723 IonicContact NZ-OE2 3.57Å; H719-E723 IonicContact CE1-OE1 2.68Å |
| 724 | Q | 45.5 | Very low | 37.3 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -74.6 | -31.6 | 178.1 | -59.6 | -172.9 | 13.2 | 0 | 0 | 113.1 | C721 L722 N726 | C721-Q724 PolarHBondContact O-N 2.92Å; L722-Q724 PolarHBondContact O-N 3.09Å; Q724-N726 VanDerWaalsContact C-N 3.3Å; Q724-N726 PolarHBondContact O-N 2.79Å |
| 725 | M | 36.5 | Very low | 37.3 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 66% | 0.66 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -77.3 | -9.9 | -176.7 | -67.9 | -170.4 | -72.1 | 0 | 0 | 114.5 | L722 | L722-M725 HydrophobicContact CD1-CE 3.76Å; L722-M725 PolarHBondContact O-N 3.19Å |
| 726 | N | 41.2 | Very low | 37.2 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -102.2 | 14.5 | -175.1 | -84.1 | -68.9 | 0 | 0 | 0 | 114.8 | Q724 | Q724-N726 VanDerWaalsContact C-N 3.3Å; Q724-N726 PolarHBondContact O-N 2.79Å |
| 727 | R | 34.6 | Very low | 37.2 | Very low | 220 Ų | 220 | 120.4 Ų | 120.4 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -83.9 | 125.2 | 166.8 | -81 | -167 | 174.3 | -152.5 | 0.3 | 110.8 | A729 | R727-A729 PolarHBondContact O-N 3.15Š|
| 728 | P | 34.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | trans | -71.7 | 109.9 | 169.4 | 29.3 | -32.1 | 0 | 0 | 0 | 109.6 | L730 | P728-L730 PolarHBondContact O-N 3.41Š| ||
| 729 | A | 34.4 | Very low | 36.9 | Very low | 100 Ų | 100 | 115.7 Ų | 115.7 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | trans | -78.7 | 108.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R727 | R727-A729 PolarHBondContact O-N 3.15Š| ||
| 730 | L | 33.6 | Very low | 36.8 | Very low | 179 Ų | 179 | 122.5 Ų | 122.5 | 94% | 0.937 | 71% | 0.71 | S | S | * | * | trans | -67.4 | 139.3 | 167.4 | -71 | 166.7 | 0 | 0 | 0 | 109.3 | P728 | P728-L730 PolarHBondContact O-N 3.41Š| ||
| 731 | G | 28.1 | Very low | 36.5 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -122 | 131.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 732 | S | 33.9 | Very low | 36.2 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -158.9 | 93.9 | 166.7 | 52.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 733 | T | 32.3 | Very low | 35.9 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 79.1 | 145.7 | 85.7 | 55.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 734 | E | 34.2 | Very low | 35.5 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | 86.6 | 118.7 | 167.1 | -46.9 | -156.7 | 155 | 0 | 0 | 119.4 | ||||
| 735 | S | 34.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -86.3 | -179.6 | 170.3 | 45.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 736 | V | 36.7 | Very low | 35.5 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | cis | -155.2 | 174.7 | 17.5 | -138.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 737 | N | 34.9 | Very low | 35.5 | Very low | 135 Ų | 135 | 133 Ų | 133 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 76.5 | 97 | 143.9 | -71.8 | -9.4 | 0 | 0 | 0 | 123.8 | ||||
| 738 | S | 34.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | 62.8 | 134.6 | 113.3 | 68.4 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 739 | G | 32.9 | Very low | 36.8 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 131.1 | 83 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 740 | L | 36 | Very low | 37 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | 55.2 | 97.5 | 91.5 | -69.4 | 178 | 0 | 0 | 0 | 117 | |||||
| 741 | N | 36.8 | Very low | 37.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | -173.1 | 171.6 | 104 | -102.8 | -24.8 | 0 | 0 | 0 | 113.8 | |||||
| 742 | N | 33.3 | Very low | 37.9 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -106.9 | 178.1 | -171.4 | -71.3 | -55.7 | 0 | 0 | 0 | 114 | ||||
| 743 | H | 40.4 | Very low | 38.2 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 115.8 | 139.4 | 163.8 | -60.6 | -57.6 | 0 | 0 | 0 | 113.9 | ||||
| 744 | S | 35.9 | Very low | 38.5 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | cis | -176.2 | 135.3 | -30.8 | -108.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 745 | L | 40.7 | Very low | 38.7 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 66.8 | 169.3 | 163.1 | -56.3 | 166.8 | 0 | 0 | 0 | 117.5 | ||||
| 746 | P | 40.5 | Very low | 38.9 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -130.4 | 176.4 | -49.4 | 37.8 | -23.1 | 0 | 0 | 0 | 113.8 | ||||
| 747 | P | 41.2 | Very low | 38.8 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -111 | -157.2 | -175.3 | 45.6 | -35.9 | 0 | 0 | 0 | 113.8 | ||||
| 748 | P | 50 | Low | 38.9 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -125.3 | -174.4 | -103.7 | 40.8 | -21.9 | 0 | 0 | 0 | 114.9 | |||||
| 749 | P | 48.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -109.5 | 167.6 | 166.9 | 37.8 | -29.3 | 0 | 0 | 0 | 114.5 | ||||
| 750 | S | 37.7 | Very low | 39 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -150.9 | 140.1 | -177.9 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 751 | A | 39.9 | Very low | 38.8 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -169.7 | 157.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 752 | A | 40.7 | Very low | 38.7 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | -172.5 | 157.8 | -26.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 753 | V | 40.3 | Very low | 39.3 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 143.2 | 150.4 | 161.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 754 | A | 39.5 | Very low | 39.1 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | cis | -170.8 | 154.6 | -19.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 755 | V | 37.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | 54.3 | 133.3 | 136.6 | 176.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 756 | K | 38.5 | Very low | 38.5 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | cis | -157.5 | 157.8 | 47.8 | -130.2 | 146.7 | -169.5 | 175.7 | 0 | 108.9 | ||||
| 757 | G | 34.5 | Very low | 38.1 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 82.5 | 133.5 | 73.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 758 | L | 36.6 | Very low | 37.8 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | cis | -156.9 | -175.3 | 16.4 | -90.1 | 158.6 | 0 | 0 | 0 | 113.3 | ||||
| 759 | Y | 34.1 | Very low | 36.7 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -94.7 | 178.3 | -163.3 | -72.9 | -104.6 | 0 | 0 | 0 | 117.8 | ||||
| 760 | N | 36.1 | Very low | 35.8 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | 96.4 | 147.1 | 158.7 | -53.2 | -61.1 | 0 | 0 | 0 | 116.7 | ||||
| 761 | R | 31.9 | Very low | 35.4 | Very low | 230 Ų | 230 | 141.6 Ų | 141.6 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | cis | -156.7 | 159.4 | -8.5 | -129.8 | -169.6 | 177.4 | -168.3 | 0.2 | 109.7 | ||||
| 762 | P | 35.5 | Very low | 34.9 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -110.2 | -163.9 | 175.4 | 40.8 | -30.3 | 0 | 0 | 0 | 112.4 | ||||
| 763 | P | 44.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | -123.2 | -175 | -51.9 | 36.9 | -21.6 | 0 | 0 | 0 | 111.9 | |||||
| 764 | L | 35.9 | Very low | 33.8 | Very low | 176 Ų | 176 | 144 Ų | 144 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -169.6 | 178.1 | 150.6 | -110.6 | 166.8 | 0 | 0 | 0 | 113.7 | ||||
| 765 | S | 32.7 | Very low | 33.2 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 57% | 0.566 | 78% | 0.777 | S | S | * | * | trans | -126.9 | 151.3 | -164 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 766 | N | 33 | Very low | 32.8 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | 165.6 | 140.9 | 117.2 | -89.3 | -40.1 | 0 | 0 | 0 | 117.4 | |||||
| 767 | N | 31.4 | Very low | 32.6 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 16.5 | 125 | 143.4 | -56.8 | -25 | 0 | 0 | 0 | 123.1 | ||||
| 768 | K | 34.1 | Very low | 32.2 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | 171.3 | 131.6 | 118.1 | -89.7 | 160 | -177.7 | -178.4 | 0 | 108.8 | |||||
| 769 | Y | 28 | Very low | 32 | Very low | 218 Ų | 218 | 159.2 Ų | 159.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | 93.1 | 128.8 | 52.6 | -102.9 | -77.8 | 0 | 0 | 0 | 114.8 | |||||
| 770 | M | 28.9 | Very low | 31.9 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | 70.1 | 151.3 | 176.7 | -56.9 | 177.1 | 66.1 | 0 | 0 | 116.8 | ||||
| 771 | G | 28.8 | Very low | 31.7 | Very low | 65 Ų | 65 | 161.2 Ų | 161.2 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 172.6 | 177.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 772 | S | 30.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 72.9 | 133.3 | 176.3 | -157.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 773 | L | 26.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | 59.7 | 132.3 | 57.4 | -55.2 | 170.9 | 0 | 0 | 0 | 112.5 | |||||
| 774 | D | 31.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 157.6 Ų | 157.6 | 58% | 0.578 | 79% | 0.788 | S | S | * | * | cis | -162 | 163.5 | 43.8 | -174.5 | 36.1 | 0 | 0 | 0 | 116.1 | R776 | D774-R776 IonicContact OD2-NH2 3.5Š| ||
| 775 | R | 26.7 | Very low | 31 | Very low | 193 Ų | 193 | 157.7 Ų | 157.7 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | 15.3 | 157.5 | 156.8 | -82.9 | 163.2 | 167.9 | 163.7 | -5.9 | 127.3 | ||||
| 776 | R | 29.9 | Very low | 31 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | 81 | 150 | 151.3 | -75.8 | 162 | -79 | -160.5 | -5.1 | 115.9 | D774 | D774-R776 IonicContact OD2-NH2 3.5Š| ||
| 777 | Y | 33.5 | Very low | 31.1 | Very low | 213 Ų | 213 | 157.7 Ų | 157.7 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | -135.9 | 166.6 | 16.2 | -109 | -75.3 | 0 | 0 | 0 | 114.5 | ||||
| 778 | L | 27 | Very low | 31.3 | Very low | 155 Ų | 155 | 156.7 Ų | 156.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -97.6 | 151.3 | 171.2 | -73.5 | 154 | 0 | 0 | 0 | 112.2 | ||||
| 779 | R | 31.2 | Very low | 31.1 | Very low | 222 Ų | 222 | 153.2 Ų | 153.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 164.4 | 140 | 119.6 | -92.5 | 171.9 | 174.8 | 174.4 | -0.8 | 115 | |||||
| 780 | L | 31.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | 49 | 136.1 | 138.1 | -54 | 167.7 | 0 | 0 | 0 | 119.2 | ||||
| 781 | R | 33 | Very low | 31.7 | Very low | 238 Ų | 238 | 155.1 Ų | 155.1 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | cis | -146.7 | 170.5 | 41.7 | -91.7 | -171 | 167.1 | -177.5 | -4.2 | 114.1 | ||||
| 782 | S | 28.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 155.9 Ų | 155.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -82.2 | 166.2 | 173.6 | 46 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 783 | G | 35.4 | Very low | 32.3 | Very low | 81 Ų | 81 | 156.1 Ų | 156.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -166.3 | 104.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 784 | E | 31.9 | Very low | 32.8 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -92.4 | 138.6 | -178 | -61.7 | 165.7 | 108 | 0 | 0 | 111.4 | ||||
| 785 | I | 36.8 | Very low | 33 | Very low | 177 Ų | 177 | 157.3 Ų | 157.3 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -139.8 | 136.5 | 151.4 | -58.8 | -176.5 | 0 | 0 | 0 | 106.9 | ||||
| 786 | A | 33.2 | Very low | 33.5 | Very low | 81 Ų | 81 | 156.2 Ų | 156.2 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | trans | -139.9 | 159.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 787 | V | 34.5 | Very low | 33.7 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | 69.9 | 156.1 | 160 | 162.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 788 | P | 36.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | cis | -121 | 166.6 | 8.3 | 19.2 | 4.7 | 0 | 0 | 0 | 117 | ||||
| 789 | C | 28.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -66.7 | 152.6 | 161 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 790 | K | 36.8 | Very low | 34.3 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -118 | 135.5 | 153.9 | -81.5 | -173.1 | 173.3 | -178.2 | 0 | 109.7 | ||||
| 791 | R | 32.6 | Very low | 34.6 | Very low | 237 Ų | 237 | 148.6 Ų | 148.6 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | -83.1 | 140.4 | 172.6 | -56.2 | 175.7 | -160.3 | 161.2 | 6.6 | 108.6 | ||||
| 792 | G | 38.3 | Very low | 34.4 | Very low | 80 Ų | 80 | 143.4 Ų | 143.4 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -120.2 | 120.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 793 | T | 34.8 | Very low | 34.8 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -123.5 | 111.5 | -174 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 794 | E | 35.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -158.4 | 112 | 157.5 | -106.6 | 152.2 | -147.3 | 0 | 0 | 106.4 | ||||
| 795 | S | 35.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | 90.2 | 91.3 | 72.6 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 796 | N | 37 | Very low | 34.6 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 147 | 140.7 | -107.7 | -38.8 | 0 | 0 | 0 | 112.9 | ||||
| 797 | R | 34.5 | Very low | 34.6 | Very low | 225 Ų | 225 | 148 Ų | 148 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -139.6 | 160 | -164.2 | -82.7 | -175 | 162 | -173.8 | -4.4 | 108 | ||||
| 798 | L | 38.1 | Very low | 34.6 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | cis | -164.8 | -176.1 | -1.7 | -109.9 | 170.8 | 0 | 0 | 0 | 104.7 | ||||
| 799 | P | 36 | Very low | 34.3 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | cis | -129.4 | -166.9 | -18.1 | 40.5 | -23.6 | 0 | 0 | 0 | 112.4 | ||||
| 800 | A | 30.6 | Very low | 34.9 | Very low | 88 Ų | 88 | 153.1 Ų | 153.1 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 164.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 801 | Q | 36.9 | Very low | 34.7 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -130.8 | 136.8 | 157.4 | -83.8 | -171.6 | -28.5 | 0 | 0 | 110.3 | ||||
| 802 | T | 29.4 | Very low | 35 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -99.6 | 153.2 | 172.7 | -53.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 803 | I | 37.1 | Very low | 34.7 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | trans | -179.5 | 123.7 | 142.2 | -96.2 | 153.8 | 0 | 0 | 0 | 110.6 | ||||
| 804 | E | 35 | Very low | 34.8 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 32.6 | 115.4 | 141.7 | -65.4 | 147.2 | -153 | 0 | 0 | 119.9 | ||||
| 805 | T | 31.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 59.9 | 114.9 | 77.9 | 64.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 806 | L | 34.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | -178.1 | 155.9 | 126.5 | -101.4 | 163.5 | 0 | 0 | 0 | 113.3 | |||||
| 807 | D | 31.6 | Very low | 34.5 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 154.2 | 175.2 | -65.8 | -75.4 | 0 | 0 | 0 | 113.8 | ||||
| 808 | R | 35.4 | Very low | 34.4 | Very low | 239 Ų | 239 | 143.8 Ų | 143.8 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | 170.2 | 135 | 110.3 | -93.5 | 168.6 | 178.8 | 178.6 | 0.1 | 114.3 | |||||
| 809 | S | 29.6 | Very low | 34.9 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -75.3 | 155.6 | 151.4 | -49.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 810 | P | 42.2 | Very low | 34.8 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | -141.7 | -179.1 | 114.9 | 38 | -25.1 | 0 | 0 | 0 | 113.9 | |||||
| 811 | S | 33 | Very low | 35.1 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -121.5 | -178 | -176.4 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 812 | R | 37.4 | Very low | 34.7 | Very low | 239 Ų | 239 | 138.3 Ų | 138.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 85.7 | 155.6 | -177.2 | -60.8 | -177.6 | 172.3 | -159.7 | -1.9 | 116 | ||||
| 813 | S | 33.5 | Very low | 35 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | 178.1 | 154.8 | -32.8 | 60.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 814 | V | 36.3 | Very low | 34.6 | Very low | 134 Ų | 134 | 142 Ų | 142 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 69.3 | 150.7 | 163.6 | -178.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 815 | S | 33.1 | Very low | 34.7 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | cis | -162.6 | 173.3 | -42.7 | 70.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 816 | H | 34.5 | Very low | 34.7 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | trans | 23.3 | 125.6 | 161.4 | -57.3 | -69.7 | 0 | 0 | 0 | 121.7 | ||||
| 817 | F | 33.4 | Very low | 34.6 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -139.8 | 152 | 133.4 | -123.4 | -88.2 | 0 | 0 | 0 | 110.3 | ||||
| 818 | V | 33.9 | Very low | 34.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 66% | 0.655 | 80% | 0.797 | S | S | * | * | trans | -119 | 133.6 | -173.3 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 819 | P | 47.7 | Very low | 34.6 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 109 | 165.8 | 33.1 | -28.2 | 0 | 0 | 0 | 110.9 | ||||
| 820 | T | 34.7 | Very low | 35.1 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -83.5 | 135.6 | 165.5 | 47 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 821 | G | 35.5 | Very low | 34.6 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 171.2 | 76.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 822 | G | 29.5 | Very low | 34.6 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -106.7 | 137.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 823 | Y | 35.4 | Very low | 34.5 | Very low | 238 Ų | 238 | 136.9 Ų | 136.9 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 131.6 | 162 | -93.2 | -81.2 | 0 | 0 | 0 | 109.8 | ||||
| 824 | S | 29.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -93 | 156.4 | 178 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 825 | I | 35.5 | Very low | 34.2 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -173.8 | 99.5 | 149.1 | -100.9 | 147.9 | 0 | 0 | 0 | 105.2 | ||||
| 826 | E | 32.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 146 Ų | 146 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 89.7 | 95.6 | 92 | -83.3 | 179.9 | 166.6 | 0 | 0 | 112.3 | |||||
| 827 | T | 31.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | 76.4 | 103.9 | 93.8 | 55.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 828 | S | 35 | Very low | 34.3 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -154.9 | 130.7 | 137 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 829 | K | 32.9 | Very low | 34.3 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -104.9 | 176.3 | 166.8 | -71.3 | 177.4 | -179.9 | 175.4 | 0 | 107.5 | ||||
| 830 | P | 40.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | -125.2 | -175.1 | -37.2 | 34.4 | -18.8 | 0 | 0 | 0 | 110.7 | ||||
| 831 | Y | 32.3 | Very low | 33.7 | Very low | 223 Ų | 223 | 150 Ų | 150 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -135.4 | 121.5 | 142.2 | -111.2 | -84.7 | 0 | 0 | 0 | 110.1 | ||||
| 832 | S | 32.6 | Very low | 33.5 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -128.5 | 123.7 | 164.3 | 178.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 833 | T | 34.2 | Very low | 33.7 | Very low | 112 Ų | 112 | 159.1 Ų | 159.1 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -151.7 | 108.8 | 172.3 | -48.3 | 0 | 0 | 0 | 0 | 107.2 | D835 | T833-D835 PolarHBondContact O-N 2.74Š| ||
| 834 | E | 30.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -76.8 | 111.9 | 172.6 | -60.8 | 171.8 | 103.6 | 0 | 0 | 108.5 | ||||
| 835 | D | 33.5 | Very low | 33.7 | Very low | 128 Ų | 128 | 155.1 Ų | 155.1 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | -166.9 | 94.8 | 150.6 | -110.3 | -26.8 | 0 | 0 | 0 | 112.6 | T833 | T833-D835 PolarHBondContact O-N 2.74Š| ||
| 836 | F | 34.7 | Very low | 33.6 | Very low | 196 Ų | 196 | 152.9 Ų | 152.9 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -152.5 | 78.5 | 141.3 | -134.6 | -85.8 | 0 | 0 | 0 | 111 | ||
| 837 | F | 36.7 | Very low | 33.5 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | 34.7 | 101.9 | 156.4 | -59.4 | -84.7 | 0 | 0 | 0 | 117.5 | ||||
| 838 | R | 32.5 | Very low | 34 | Very low | 231 Ų | 231 | 151.2 Ų | 151.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | 39.1 | 91.1 | 81.7 | -63.2 | -171.1 | -176.9 | 177.8 | 5.1 | 114 | |||||
| 839 | Y | 33 | Very low | 33.8 | Very low | 212 Ų | 212 | 155 Ų | 155 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -131.9 | 125.2 | 141 | -113.8 | -92.1 | 0 | 0 | 0 | 109.4 | ||||
| 840 | T | 38.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 151 Ų | 151 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 21.5 | 104.7 | 156.5 | 55.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 841 | T | 31.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | cis | 63 | 118.5 | 33.3 | -43.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 842 | R | 30.5 | Very low | 33.2 | Very low | 217 Ų | 217 | 152.1 Ų | 152.1 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | 65.3 | 140.8 | 165.2 | -79.8 | 173 | 171.2 | 164.8 | -3.3 | 116.1 | ||||
| 843 | M | 35.3 | Very low | 33 | Very low | 130 Ų | 130 | 153 Ų | 153 | 64% | 0.64 | 77% | 0.767 | S | S | * | * | cis | -141.4 | 157.8 | 28.3 | -85.5 | -55.8 | -162 | 0 | 0 | 115.6 | ||||
| 844 | Q | 34.2 | Very low | 33 | Very low | 153 Ų | 153 | 153 Ų | 153 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | 10.3 | 126.6 | 136.6 | -62.4 | 158 | -19.6 | 0 | 0 | 117.9 | ||||
| 845 | S | 29.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 155.3 Ų | 155.3 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | 69.7 | 76.4 | 56.6 | 83.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 846 | A | 34.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -156.9 | 143.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 847 | I | 30.2 | Very low | 32.6 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | -109.6 | 178.5 | 161.8 | -6.7 | 178.4 | 0 | 0 | 0 | 105.4 | ||||
| 848 | P | 40.4 | Very low | 32.4 | Very low | 96 Ų | 96 | 149 Ų | 149 | 62% | 0.623 | 78% | 0.777 | S | S | * | * | cis | -138 | -152.3 | -8.2 | 23.2 | 5.9 | 0 | 0 | 0 | 113.2 | ||||
| 849 | Y | 31.6 | Very low | 32.5 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 66.6 | 115.1 | 170.2 | -67.5 | -98.1 | 0 | 0 | 0 | 116.7 | ||||
| 850 | T | 30.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | 75.6 | 102.4 | 51.4 | 76.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 851 | S | 34.8 | Very low | 32.5 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -162.5 | 126.7 | 142.7 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 852 | R | 28.7 | Very low | 32.7 | Very low | 235 Ų | 235 | 144.9 Ų | 144.9 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | cis | 103.3 | 93.6 | 39.8 | -174.4 | -170.8 | -119.4 | -168.2 | 1.6 | 111.4 | ||||
| 853 | V | 28.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 45.9 | 113.1 | 141.1 | -172.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 854 | S | 32.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | -163.2 | 134.5 | 127.9 | -78.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 855 | R | 28.3 | Very low | 33.6 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | 75.7 | 144.3 | 53.1 | -86.7 | -165.9 | 170.7 | -166.1 | -1.2 | 114.1 | |||||
| 856 | T | 34.4 | Very low | 34.3 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 65.2 | 134 | -172.8 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 857 | S | 28.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | 118.7 | 130.5 | 2.6 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 858 | S | 31.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 68.9 | 151.8 | 155.7 | 54.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 859 | E | 34.1 | Very low | 35 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | 92.3 | 154.3 | 158.7 | -49.2 | -140 | 121 | 0 | 0 | 120.2 | ||||
| 860 | G | 36.6 | Very low | 35.3 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 86.4 | 88.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 861 | S | 36.3 | Very low | 35.9 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | cis | 54.4 | 134.3 | 41.6 | -85.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 862 | R | 36.2 | Very low | 36.4 | Very low | 212 Ų | 212 | 142 Ų | 142 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | cis | -170.6 | 156.8 | -0.1 | 162.8 | -173.7 | -73.1 | -156.9 | -0.3 | 107.7 | ||||
| 863 | L | 38 | Very low | 36.7 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 165.1 | 108 | 133.7 | -87.5 | 166.4 | 0 | 0 | 0 | 113.9 | ||||
| 864 | T | 41.1 | Very low | 37 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | 49.5 | 137.2 | 132.9 | 56.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 865 | R | 39 | Very low | 37.1 | Very low | 227 Ų | 227 | 137.5 Ų | 137.5 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | cis | -163.4 | 174.4 | 16.1 | -127.3 | 177.6 | 176.1 | 160.5 | -1.8 | 107.9 | ||||
| 866 | S | 44.2 | Very low | 37.7 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 56% | 0.559 | 77% | 0.769 | S | S | * | * | cis | -159.1 | 156.3 | 5 | -151.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 867 | N | 41 | Very low | 37.8 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | 11.9 | 147.4 | 143 | -58.1 | 14.3 | 0 | 0 | 0 | 121.9 | ||||
| 868 | N | 40.8 | Very low | 38.7 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | cis | -169.8 | 159.4 | -4.2 | -105.1 | -9 | 0 | 0 | 0 | 112.7 | ||||
| 869 | G | 38.2 | Very low | 39 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 92 | 117.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 870 | V | 38.6 | Very low | 39.1 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | cis | 96.5 | 91 | 14.6 | -172.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 871 | K | 42.3 | Very low | 39.4 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | 179.9 | 151.4 | 116.3 | -113.4 | 170.2 | 178.7 | 178 | 0 | 114.4 | |||||
| 872 | P | 44.4 | Very low | 40.2 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -121.5 | -164.2 | 178 | 43.8 | -32.5 | 0 | 0 | 0 | 115.2 | ||||
| 873 | C | 35.4 | Very low | 40.1 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 91% | 0.905 | 78% | 0.78 | S | S | * | * | trans | 85.1 | 147.1 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 874 | G | 35.7 | Very low | 40.3 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 172.8 | 171.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 875 | E | 34.3 | Very low | 40.1 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 66.3 | 155.5 | 170.1 | -40.7 | -167.1 | 152.6 | 0 | 0 | 118.5 | ||||
| 876 | K | 41.1 | Very low | 40.1 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -141.3 | -179.8 | 24.3 | -80.6 | -173.8 | 174.4 | -179.9 | 0 | 115.2 | ||||
| 877 | L | 37 | Very low | 39.7 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -112.5 | -145.3 | -166.6 | -68 | 151.3 | 0 | 0 | 0 | 113.6 | ||||
| 878 | P | 47.7 | Very low | 39.5 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -139.7 | -175.7 | -100.1 | 46.1 | -28.2 | 0 | 0 | 0 | 118 | |||||
| 879 | G | 37.3 | Very low | 39.1 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 94.5 | 168.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 880 | K | 36.4 | Very low | 38.9 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | cis | -158.5 | -175.4 | -7.3 | -122.4 | -161.9 | 172.1 | 179.3 | 0 | 109.6 | ||||
| 881 | P | 42.5 | Very low | 38.5 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -122 | -128.5 | -138 | 29.8 | -2.6 | 0 | 0 | 0 | 117 | ||||
| 882 | P | 53.2 | Low | 37.9 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -129.5 | -151.4 | -98.2 | 43.9 | -27.1 | 0 | 0 | 0 | 116.1 | |||||
| 883 | R | 35.2 | Very low | 37.2 | Very low | 238 Ų | 238 | 145.1 Ų | 145.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 92.1 | 141.5 | 173.6 | -124.9 | 175.2 | -168.1 | -178.4 | 3.1 | 112.8 | ||||
| 884 | V | 40.6 | Very low | 37.1 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 65% | 0.648 | 79% | 0.794 | S | S | * | * | -160.3 | 139.6 | 53.3 | 159.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 885 | Q | 37.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 39.5 | 155.9 | 147.2 | -65.1 | 173.8 | -78 | 0 | 0 | 122.4 | ||||
| 886 | D | 38.3 | Very low | 36.8 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | cis | -159 | 170.7 | -6.3 | -110.2 | -26.7 | 0 | 0 | 0 | 109.9 | ||||
| 887 | G | 37.2 | Very low | 36.8 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 131.5 | 102.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 888 | S | 36 | Very low | 36.7 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -17.9 | 149.5 | 152.5 | 51 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 889 | S | 31.5 | Very low | 36.1 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | 152.9 | 124.2 | -13.8 | 51 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 890 | L | 34.9 | Very low | 36.1 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 95% | 0.953 | 75% | 0.753 | S | S | * | * | trans | 178.2 | 143.1 | 143 | -101.3 | 162.7 | 0 | 0 | 0 | 110.7 | ||||
| 891 | Q | 29.4 | Very low | 36.3 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -94.2 | 141.8 | -170.3 | -63.7 | 170.2 | -61.6 | 0 | 0 | 113.1 | ||||
| 892 | R | 30.7 | Very low | 36.3 | Very low | 233 Ų | 233 | 139.5 Ų | 139.5 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -153.6 | 84.2 | 158.2 | -148.9 | 175.6 | -158.8 | 168.7 | 7 | 112.2 | Q894 | R892-Q894 PolarHBondContact O-N 3.32Š| ||
| 893 | N | 29.5 | Very low | 35.7 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -72.4 | 108.2 | 178 | -70.9 | -5.2 | 0 | 0 | 0 | 110.9 | ||||
| 894 | Q | 33.3 | Very low | 36.1 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -119.5 | 110 | 160.1 | -82.2 | -168.1 | -20.2 | 0 | 0 | 109.4 | R892 Q896 | R892-Q894 PolarHBondContact O-N 3.32Å; Q894-Q896 PolarHBondContact O-N 2.78Å; Q894-Q896 VanDerWaalsContact O-N 3.13Å | ||
| 895 | C | 31.7 | Very low | 35.9 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -77.1 | 95.4 | 171.8 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | K897 | C895-K897 PolarHBondContact O-N 2.66Å; C895-K897 VanDerWaalsContact O-N 3.13Å | ||
| 896 | Q | 31.9 | Very low | 35.9 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -67.5 | 106.5 | 168.1 | -75.4 | -175.4 | -31 | 0 | 0 | 109.8 | Q894 V898 | Q894-Q896 PolarHBondContact O-N 2.78Å; Q894-Q896 VanDerWaalsContact O-N 3.13Å; Q896-V898 PolarHBondContact O-N 2.72Å | ||
| 897 | K | 41.4 | Very low | 35.8 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -84.9 | 94.1 | 177.6 | -155.7 | -179.2 | -176.9 | -173.2 | 0 | 110.2 | C895 M899 | C895-K897 PolarHBondContact O-N 2.66Å; C895-K897 VanDerWaalsContact O-N 3.13Å; K897-M899 HydrophobicContact CD-CG 4.27Å; K897-M899 HydrophobicContact CD-SD 3.81Å; K897-M899 HydrophobicContact CG-CG 4.04Å; K897-M899 HydrophobicContact CG-SD 4.24Å; K897-M899 PolarHBondContact O-N 2.82Å | ||
| 898 | V | 34.3 | Very low | 35.7 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 61% | 0.606 | 72% | 0.719 | S | S | * | * | trans | -82.6 | 99.8 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | Q896 | Q896-V898 PolarHBondContact O-N 2.72Š| ||
| 899 | M | 35.1 | Very low | 35.5 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 43% | 0.429 | 71% | 0.71 | S | S | . | * | trans | -97.4 | 133.8 | 175.8 | -67.3 | 176.9 | 73.3 | 0 | 0 | 110.3 | Q22 K897 D903 | Q22-M899 PolarHBondContact NE2-O 2.97Å; K897-M899 HydrophobicContact CD-CG 4.27Å; K897-M899 HydrophobicContact CD-SD 3.81Å; K897-M899 HydrophobicContact CG-CG 4.04Å; K897-M899 HydrophobicContact CG-SD 4.24Å; K897-M899 PolarHBondContact O-N 2.82Å; M899-D903 WeakPolarHBondContact CA-OD2 3.27Å; M899-D903 HydrophobicContact CE-CB 3.44Å; M899-D903 VanDerWaalsContact CE-CB 3.44Å | ||
| 900 | T | 37.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 44% | 0.442 | 72% | 0.717 | S | S | . | * | trans | -102.2 | 174.7 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | H902 D903 | T900-H902 PolarHBondContact O-N 3.37Å; T900-D903 PolarHBondContact N-OD2 3.01Å; T900-D903 PolarHBondContact O-N 3.14Å | ||
| 901 | T | 40.9 | Very low | 35.4 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 49% | 0.485 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | 37.5 | -179.4 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 902 | H | 41.3 | Very low | 35.4 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 73% | 0.731 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -19.1 | 175.5 | -81.7 | 21.6 | 0 | 0 | 0 | 113.1 | T900 V904 | T900-H902 PolarHBondContact O-N 3.37Å; H902-V904 VanDerWaalsContact C-N 3.26Å; H902-V904 PolarHBondContact O-N 3.07Å |
| 903 | D | 42.2 | Very low | 35.4 | Very low | 85 Ų | 85 | 138 Ų | 138 | 46% | 0.455 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | 14.8 | -174.9 | -56.2 | -52.9 | 0 | 0 | 0 | 114.9 | M899 T900 | M899-D903 WeakPolarHBondContact CA-OD2 3.27Å; M899-D903 HydrophobicContact CE-CB 3.44Å; M899-D903 VanDerWaalsContact CE-CB 3.44Å; T900-D903 PolarHBondContact N-OD2 3.01Å; T900-D903 PolarHBondContact O-N 3.14Å |
| 904 | V | 42.5 | Very low | 35.7 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -4.4 | -170.1 | -163.6 | 0 | 0 | 0 | 0 | 112.7 | H902 | H902-V904 VanDerWaalsContact C-N 3.26Å; H902-V904 PolarHBondContact O-N 3.07Å |
| 905 | H | 36.9 | Very low | 35.6 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -96.9 | -16.6 | -171.3 | -119.1 | -73.2 | 0 | 0 | 0 | 115.8 | ||
| 906 | D | 38 | Very low | 35.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -98.6 | 9.9 | -171.3 | -79 | -32.5 | 0 | 0 | 0 | 115.5 | ||
| 907 | V | 36.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -111.3 | 10.1 | -177.1 | -165 | 0 | 0 | 0 | 0 | 112.7 | ||
| 908 | L | 34.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -123.5 | 10.6 | 179.3 | -68.7 | 174.4 | 0 | 0 | 0 | 113.9 | W910 | L908-W910 PolarHBondContact O-N 2.69Š| ||
| 909 | S | 30.9 | Very low | 35.4 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | -81 | 32 | -176 | 49 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 910 | W | 32.4 | Very low | 35.3 | Very low | 233 Ų | 233 | 134.1 Ų | 134.1 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -130.8 | 44.7 | -173.7 | -85.8 | 70.4 | 0 | 0 | 0 | 113.6 | L908 | L908-W910 PolarHBondContact O-N 2.69Š| ||
| 911 | Y | 32 | Very low | 35.1 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -161.4 | 96.1 | 158.6 | -100.5 | -70.2 | 0 | 0 | 0 | 110.4 | ||||
| 912 | D | 30.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -169.5 | 111.2 | 154 | -114.5 | -22.3 | 0 | 0 | 0 | 111.5 | ||||
| 913 | S | 30.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | 177.6 | 103.1 | 158.7 | -81.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 914 | E | 34.6 | Very low | 33.7 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 179.2 | 146.6 | 141.9 | -102.7 | -51.5 | 148 | 0 | 0 | 110.8 | ||
| 915 | G | 32.5 | Very low | 33.2 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 72.3 | 55 | 154.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 916 | S | 30.4 | Very low | 32.9 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -133 | 99.8 | 159.8 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 917 | N | 35.4 | Very low | 32.6 | Very low | 175 Ų | 175 | 139 Ų | 139 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | trans | -173.8 | 130.9 | 156.5 | -95.8 | -40.5 | 0 | 0 | 0 | 109.4 | ||||
| 918 | G | 34 | Very low | 32.4 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 160.2 | 48.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 919 | S | 34.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -72.9 | 132.4 | 173.6 | 43.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 920 | T | 32.3 | Very low | 32.7 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 84% | 0.84 | 85% | 0.852 | S | S | * | * | trans | -77 | 139.2 | 177.9 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 921 | S | 33.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | trans | -155.3 | 152.3 | 161 | -79.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 922 | P | 36.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 85% | 0.847 | S | S | * | * | trans | -128.2 | 168.5 | -140.6 | 41.8 | -28.5 | 0 | 0 | 0 | 117.2 | ||||
| 923 | L | 28.6 | Very low | 32.9 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 85% | 0.848 | 85% | 0.846 | S | S | * | * | trans | 75.9 | 148.9 | 155 | -73.9 | 161.3 | 0 | 0 | 0 | 120.2 | ||||
| 924 | K | 32.2 | Very low | 33 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | trans | 69.4 | 106.6 | 177.4 | -56.6 | -179.3 | -177.7 | 179.6 | 0 | 113.8 | ||||
| 925 | A | 30.3 | Very low | 32.9 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | cis | 87.8 | 149.1 | 40.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 926 | A | 31.8 | Very low | 32.9 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 80% | 0.802 | 85% | 0.849 | S | S | * | * | trans | 79.5 | 147.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 927 | T | 30.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | cis | -163.9 | 170.6 | -33.5 | -54.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 928 | V | 33.1 | Very low | 33 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 76% | 0.758 | 85% | 0.846 | S | S | * | * | trans | 89.5 | 132.5 | 155 | -147 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 929 | V | 38.5 | Very low | 32.9 | Very low | 211 Ų | 211 | 137.2 Ų | 137.2 | 100% | 1.279 | 86% | 0.855 | S | S | * | * | trans | 67.3 | 0 | 178.6 | -157.8 | 0 | 0 | 0 | 0 | 114.9 |
Retrieved 929 of 929 residues in 660.2 ms
(Link to these results)