| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.1 | Low | 89.7 | Confident | 138 Ų | 138 | 66.2 Ų | 66.2 | 68% | 0.68 | 32% | 0.322 | S | S | * | . | 0 | -46.2 | 0 | -79.8 | -159.5 | -74.6 | 0 | 0 | 112 | E3 L4 Q48 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.08Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.08Å; M1-Q48 PolarHBondContact O-NE2 3.49Å; M1-Q48 VanDerWaalsContact O-NE2 3.11Å | |||
| 2 | E | 81.8 | Confident | 90.1 | Very high | 156 Ų | 156 | 64.8 Ų | 64.8 | 73% | 0.729 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55.9 | -36.5 | 176.7 | -67.4 | 178.8 | 177.2 | 0 | 0 | 114.1 | L4 E5 Q6 | E2-L4 PolarHBondContact O-N 2.9Å; E2-E5 PolarHBondContact O-N 3Å; E2-Q6 WeakPolarHBondContact O-CG 3.47Å; E2-Q6 PolarHBondContact O-N 3.08Å |
| 3 | E | 89.6 | Confident | 90.6 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.8 | -33.5 | 175.2 | -64.3 | -179.4 | 166.2 | 0 | 0 | 113.2 | M1 G7 Q32 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.08Å; E3-G7 PolarHBondContact O-N 3.39Å; E3-Q32 PolarHBondContact OE2-NE2 3.31Å |
| 4 | L | 93.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.4 | -43 | 178.9 | -67.8 | 174 | 0 | 0 | 0 | 111 | M1 E2 G7 L8 F28 S30 A35 Q48 | M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.08Å; E2-L4 PolarHBondContact O-N 2.9Å; L4-G7 PolarHBondContact O-N 3.25Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 3.03Å; L4-F28 HydrophobicContact CD2-CD1 3.92Å; L4-F28 HydrophobicContact CD2-CE1 4.07Å; L4-F28 WeakPolarHBondContact O-CD1 3.37Å; L4-S30 VanDerWaalsContact CD2-OG 3.29Å; L4-S30 WeakPolarHBondContact CD2-OG 3.46Å; L4-A35 HydrophobicContact CB-CB 3.99Å; L4-Q48 HydrophobicContact CD1-CG 4.41Å |
| 5 | E | 92.9 | Very high | 91 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 178.3 | -64.9 | -56.6 | 142.3 | 0 | 0 | 111.6 | E2 G7 L8 L9 A35 H46 Q48 | E2-E5 PolarHBondContact O-N 3Å; E5-G7 VanDerWaalsContact C-N 3.35Å; E5-L8 PolarHBondContact O-N 3.29Å; E5-L9 PolarHBondContact O-N 3.35Å; E5-A35 WeakPolarHBondContact OE1-CB 3.42Å; E5-H46 IonicContact OE1-CE1 2.99Å; E5-H46 PolarHBondContact OE1-CE1 2.91Å; E5-H46 IonicContact OE1-NE2 3.11Å; E5-H46 PolarHBondContact OE1-NE2 3.48Å; E5-H46 IonicContact OE2-NE2 3.01Å; E5-Q48 PolarHBondContact OE1-NE2 2.94Å |
| 6 | Q | 91.8 | Very high | 90.9 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 172.5 | -70.7 | -177.7 | 15.4 | 0 | 0 | 111.4 | E2 L8 L9 M10 | E2-Q6 WeakPolarHBondContact O-CG 3.47Å; E2-Q6 PolarHBondContact O-N 3.08Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 3.46Å; Q6-L9 PolarHBondContact O-N 3.28Å; Q6-M10 WeakPolarHBondContact O-CG 3.46Å; Q6-M10 PolarHBondContact O-N 3.49Å |
| 7 | G | 93.8 | Very high | 90.7 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E3 L4 E5 M10 Q11 | E3-G7 PolarHBondContact O-N 3.39Å; L4-G7 PolarHBondContact O-N 3.25Å; E5-G7 VanDerWaalsContact C-N 3.35Å; G7-M10 PolarHBondContact O-N 2.91Å; G7-Q11 WeakPolarHBondContact O-CG 3.46Å; G7-Q11 PolarHBondContact O-NE2 3.24Å |
| 8 | L | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 177.6 | -178.1 | 63.8 | 0 | 0 | 0 | 113 | L4 E5 Q6 M10 Q11 K26 F28 A35 L37 | L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 3.03Å; E5-L8 PolarHBondContact O-N 3.29Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 3.46Å; L8-M10 PolarHBondContact O-N 2.83Å; L8-Q11 PolarHBondContact O-N 3.1Å; L8-Q11 VanDerWaalsContact O-N 3.13Å; L8-K26 HydrophobicContact CD1-CB 4.4Å; L8-K26 HydrophobicContact CD1-CD 4.23Å; L8-K26 HydrophobicContact CD1-CG 3.84Å; L8-K26 WeakPolarHBondContact CD1-O 3.41Å; L8-K26 PolarHBondContact O-NZ 3.15Å; L8-F28 HydrophobicContact CB-CB 4.08Å; L8-F28 HydrophobicContact CD1-CB 4.44Å; L8-A35 HydrophobicContact CB-CB 4.22Å; L8-A35 HydrophobicContact CD2-CB 3.76Å; L8-A35 HydrophobicContact CG-CB 4.48Å; L8-L37 HydrophobicContact CD2-CB 4.29Å |
| 9 | L | 95.1 | Very high | 90 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -31.2 | 175.2 | -173.6 | 58.3 | 0 | 0 | 0 | 111.9 | E5 Q6 Q11 Q133 H134 V226 | E5-L9 PolarHBondContact O-N 3.35Å; Q6-L9 PolarHBondContact O-N 3.28Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q133 HydrophobicContact CD1-CB 4.47Å; L9-Q133 WeakPolarHBondContact CD1-O 3.17Å; L9-H134 WeakPolarHBondContact CD1-ND1 3.17Å; L9-V226 HydrophobicContact CD2-CG2 3.3Å; L9-V226 HydrophobicContact CG-CG2 4.03Å |
| 10 | M | 93.6 | Very high | 89.6 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 10.7 | 179.9 | -54.9 | -65.3 | -98.2 | 0 | 0 | 113.2 | Q6 G7 L8 M219 K223 V226 | Q6-M10 WeakPolarHBondContact O-CG 3.46Å; Q6-M10 PolarHBondContact O-N 3.49Å; G7-M10 PolarHBondContact O-N 2.91Å; L8-M10 PolarHBondContact O-N 2.83Å; M10-M219 WeakPolarHBondContact O-CE 3.35Å; M10-K223 HydrophobicContact CE-CB 4.33Å; M10-K223 HydrophobicContact CE-CG 3.52Å; M10-K223 HydrophobicContact SD-CG 3.92Å; M10-V226 HydrophobicContact SD-CG2 4.21Å |
| 11 | Q | 94.8 | Very high | 89.5 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -97.1 | 140.9 | 173.1 | -60.1 | -53.2 | -53.8 | 0 | 0 | 111.1 | G7 L8 L9 K26 V27 F28 | G7-Q11 WeakPolarHBondContact O-CG 3.46Å; G7-Q11 PolarHBondContact O-NE2 3.24Å; L8-Q11 PolarHBondContact O-N 3.1Å; L8-Q11 VanDerWaalsContact O-N 3.13Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; Q11-K26 HydrophobicContact CB-CB 4.15Å; Q11-K26 HydrophobicContact CB-CD 4.47Å; Q11-V27 WeakPolarHBondContact CG-O 3.26Å; Q11-F28 HydrophobicContact CG-CB 4.08Å; Q11-F28 HydrophobicContact CG-CD2 4.46Å |
| 12 | P | 95.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.9 | 169.8 | 32.1 | -34.7 | 0 | 0 | 0 | 109.9 | K26 Q215 M219 | P12-K26 WeakPolarHBondContact O-CB 3.38Å; P12-Q215 HydrophobicContact CB-CB 4.13Å; P12-Q215 HydrophobicContact CB-CG 4.4Å; P12-M219 HydrophobicContact CB-CG 4Å; P12-M219 HydrophobicContact CB-SD 4.09Å |
| 13 | W | 96 | Very high | 91.4 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 137.9 | 164.1 | -70.5 | 94.3 | 0 | 0 | 0 | 109.8 | L24 K26 L37 H134 L135 F210 V211 Q215 Y218 | W13-L24 HydrophobicContact CE3-CB 3.7Å; W13-L24 HydrophobicContact CZ3-CB 4Å; W13-K26 HydrophobicContact CD2-CD 4.24Å; W13-K26 HydrophobicContact CD2-CG 4.35Å; W13-K26 HydrophobicContact CE3-CG 4.26Å; W13-K26 HydrophobicContact CZ2-CD 4.41Å; W13-K26 HydrophobicContact CZ3-CG 4.43Å; W13-L37 HydrophobicContact CH2-CB 4.42Å; W13-L37 HydrophobicContact CH2-CD2 3.61Å; W13-L37 HydrophobicContact CH2-CG 4.07Å; W13-L37 HydrophobicContact CZ2-CD2 3.78Å; W13-H134 HydrophobicContact CZ2-CB 4.38Å; W13-H134 PolarHBondContact NE1-O 3.31Å; W13-L135 HydrophobicContact CH2-CD2 4.23Å; W13-L135 HydrophobicContact CZ2-CD1 4.32Å; W13-L135 HydrophobicContact CZ2-CD2 3.42Å; W13-L135 VanDerWaalsContact CZ2-CD2 3.42Å; W13-L135 HydrophobicContact CZ2-CG 3.78Å; W13-F210 HydrophobicContact CB-CD1 4.46Å; W13-F210 HydrophobicContact CB-CE1 3.69Å; W13-F210 HydrophobicContact CB-CZ 4.48Å; W13-F210 AromaticContact CD1-CE1 3.67Å; W13-F210 AromaticContact CD1-CZ 3.8Å; W13-F210 AromaticContact CG-CE1 3.73Å; W13-F210 HydrophobicContact CG-CE1 3.73Å; W13-F210 HydrophobicContact CG-CZ 4.31Å; W13-V211 HydrophobicContact CB-CG2 4.36Å; W13-Q215 VanDerWaalsContact O-CD 3.27Å; W13-Q215 WeakPolarHBondContact O-CG 3.5Å; W13-Q215 PolarHBondContact O-OE1 2.85Å; W13-Y218 AromaticContact CD1-CE1 3.74Å; W13-Y218 AromaticContact CD1-CE2 3.65Å; W13-Y218 AromaticContact CD1-CZ 3.4Å; W13-Y218 VanDerWaalsContact CD1-CZ 3.4Å; W13-Y218 AromaticContact NE1-CE2 3.57Å; W13-Y218 AromaticContact NE1-CZ 3.38Å; W13-Y218 PolarHBondContact NE1-OH 2.85Å |
| 14 | A | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 159.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L24 A25 L84 | A14-L24 CarbonylContact O-C 3.54Å; A14-L24 VanDerWaalsContact O-CA 3.29Å; A14-L24 WeakPolarHBondContact O-CA 3.37Å; A14-A25 PolarHBondContact N-O 3.41Å; A14-A25 PolarHBondContact O-N 3.47Å; A14-L84 VanDerWaalsContact CB-CA 3.49Å; A14-L84 HydrophobicContact CB-CB 3.69Å; A14-L84 HydrophobicContact CB-CD2 3.44Å; A14-L84 VanDerWaalsContact CB-CD2 3.44Å; A14-L84 HydrophobicContact CB-CG 4.14Å; A14-L84 WeakPolarHBondContact CB-O 3.47Å |
| 15 | W | 93.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 8% | 0.076 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.5 | 179.8 | -180 | 90.4 | 0 | 0 | 0 | 109.1 | Q17 L24 A87 D206 K208 V211 | W15-Q17 HydrophobicContact CH2-CB 3.72Å; W15-Q17 HydrophobicContact CH2-CG 4.19Å; W15-Q17 HydrophobicContact CZ2-CB 4.45Å; W15-Q17 VanDerWaalsContact CZ2-OE1 3.27Å; W15-Q17 HydrophobicContact CZ3-CB 3.74Å; W15-L24 HydrophobicContact CB-CD2 4.16Å; W15-L24 HydrophobicContact CG-CD2 4.46Å; W15-A87 HydrophobicContact CE3-CB 3.55Å; W15-A87 HydrophobicContact CZ3-CB 3.8Å; W15-D206 VanDerWaalsContact CZ2-OD2 3.27Å; W15-D206 WeakPolarHBondContact CZ2-OD2 3.3Å; W15-D206 PolarHBondContact NE1-O 2.88Å; W15-D206 PolarHBondContact NE1-OD2 3.39Å; W15-K208 HydrophobicContact CD2-CB 4.39Å; W15-K208 HydrophobicContact CD2-CD 4.41Å; W15-K208 HydrophobicContact CD2-CG 4.39Å; W15-K208 HydrophobicContact CG-CB 4.21Å; W15-K208 HydrophobicContact CG-CG 4.44Å; W15-K208 HydrophobicContact CH2-CD 4.45Å; W15-K208 HydrophobicContact CZ2-CD 4.37Å; W15-V211 HydrophobicContact CB-CB 4.12Å; W15-V211 HydrophobicContact CB-CG1 4.12Å; W15-V211 HydrophobicContact CB-CG2 3.98Å |
| 16 | L | 90.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.2 | -177.4 | -178.3 | 66.8 | 0 | 0 | 0 | 109.4 | L18 S22 L23 F95 L106 | L16-L18 HydrophobicContact CD2-CD2 4.22Å; L16-L18 HydrophobicContact CG-CD2 4.43Å; L16-S22 WeakPolarHBondContact O-CA 3.49Å; L16-L23 PolarHBondContact N-O 2.84Å; L16-L23 PolarHBondContact O-N 2.93Å; L16-F95 HydrophobicContact CD1-CD1 4.43Å; L16-F95 HydrophobicContact CD1-CD2 4.12Å; L16-F95 HydrophobicContact CD1-CE2 4.37Å; L16-F95 HydrophobicContact CD1-CG 4.19Å; L16-F95 HydrophobicContact CD2-CD1 4.01Å; L16-F95 HydrophobicContact CD2-CG 4.28Å; L16-L106 HydrophobicContact CD2-CD1 4.25Å; L16-L106 HydrophobicContact CD2-CD2 4.21Å |
| 17 | Q | 88.1 | Confident | 92.1 | Very high | 105 Ų | 105 | 36.1 Ų | 36.1 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.1 | 171 | -175.4 | 64.5 | 66.3 | 0 | 0 | 110 | W15 N21 | W15-Q17 HydrophobicContact CH2-CB 3.72Å; W15-Q17 HydrophobicContact CH2-CG 4.19Å; W15-Q17 HydrophobicContact CZ2-CB 4.45Å; W15-Q17 VanDerWaalsContact CZ2-OE1 3.27Å; W15-Q17 HydrophobicContact CZ3-CB 3.74Å; Q17-N21 PolarHBondContact NE2-O 3.47Å |
| 18 | L | 87 | Confident | 92.2 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | trans | -108.8 | 173.7 | 169.2 | -56.6 | 164.6 | 0 | 0 | 0 | 109.4 | L16 E20 N21 L23 F95 C97 L106 | L16-L18 HydrophobicContact CD2-CD2 4.22Å; L16-L18 HydrophobicContact CG-CD2 4.43Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.43Å; L18-N21 CarbonylContact C-O 3.51Å; L18-N21 WeakPolarHBondContact CA-O 3.34Å; L18-N21 VanDerWaalsContact CB-O 3.23Å; L18-N21 WeakPolarHBondContact CB-O 3.41Å; L18-N21 VanDerWaalsContact CB-OD1 3.26Å; L18-N21 WeakPolarHBondContact CB-OD1 3.35Å; L18-N21 WeakPolarHBondContact CD1-OD1 3.09Å; L18-N21 PolarHBondContact N-O 3.42Å; L18-L23 HydrophobicContact CD1-CD1 3.49Å; L18-L23 VanDerWaalsContact CD1-CD1 3.49Å; L18-L23 HydrophobicContact CD1-CG 3.68Å; L18-F95 HydrophobicContact CD2-CB 3.36Å; L18-F95 HydrophobicContact CD2-CG 4.49Å; L18-C97 HydrophobicContact CD1-CB 3.65Å; L18-L106 HydrophobicContact CD2-CD1 3.95Å | ||
| 19 | A | 79.7 | Confident | 92.2 | Very high | 96 Ų | 96 | 39 Ų | 39 | 79% | 0.793 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -61.4 | -37.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 20 | E | 82.7 | Confident | 92.2 | Very high | 190 Ų | 190 | 39.2 Ų | 39.2 | 89% | 0.888 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -116.9 | -18.3 | -172.9 | -62.7 | -178.6 | -178 | 0 | 0 | 113.4 | L18 | L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.43Å |
| 21 | N | 87.3 | Confident | 92.1 | Very high | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | trans | -147.7 | -177.1 | -172.9 | 58.9 | -23.8 | 0 | 0 | 0 | 111.4 | Q17 L18 | Q17-N21 PolarHBondContact NE2-O 3.47Å; L18-N21 CarbonylContact C-O 3.51Å; L18-N21 WeakPolarHBondContact CA-O 3.34Å; L18-N21 VanDerWaalsContact CB-O 3.23Å; L18-N21 WeakPolarHBondContact CB-O 3.41Å; L18-N21 VanDerWaalsContact CB-OD1 3.26Å; L18-N21 WeakPolarHBondContact CB-OD1 3.35Å; L18-N21 WeakPolarHBondContact CD1-OD1 3.09Å; L18-N21 PolarHBondContact N-O 3.42Å | ||
| 22 | S | 91.8 | Very high | 92 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.5 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | L16 D206 | L16-S22 WeakPolarHBondContact O-CA 3.49Å; S22-D206 WeakPolarHBondContact OG-CB 3.5Å |
| 23 | L | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.2 | 178.2 | -63.2 | 174.5 | 0 | 0 | 0 | 110.4 | L16 L18 V38 D40 L104 L106 | L16-L23 PolarHBondContact N-O 2.84Å; L16-L23 PolarHBondContact O-N 2.93Å; L18-L23 HydrophobicContact CD1-CD1 3.49Å; L18-L23 VanDerWaalsContact CD1-CD1 3.49Å; L18-L23 HydrophobicContact CD1-CG 3.68Å; L23-V38 HydrophobicContact CB-CG1 3.99Å; L23-V38 HydrophobicContact CD1-CG1 3.63Å; L23-V38 HydrophobicContact CD2-CG1 4.3Å; L23-V38 HydrophobicContact CG-CG1 4.19Å; L23-D40 HydrophobicContact CD2-CB 3.65Å; L23-L104 HydrophobicContact CD1-CD2 4.3Å; L23-L106 HydrophobicContact CD1-CD1 4.31Å |
| 24 | L | 95.8 | Very high | 92 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.5 | 159.8 | -62.9 | -168.7 | 0 | 0 | 0 | 108.9 | W13 A14 W15 V38 S39 L41 F210 V211 | W13-L24 HydrophobicContact CE3-CB 3.7Å; W13-L24 HydrophobicContact CZ3-CB 4Å; A14-L24 CarbonylContact O-C 3.54Å; A14-L24 VanDerWaalsContact O-CA 3.29Å; A14-L24 WeakPolarHBondContact O-CA 3.37Å; W15-L24 HydrophobicContact CB-CD2 4.16Å; W15-L24 HydrophobicContact CG-CD2 4.46Å; L24-V38 CarbonylContact O-C 3.46Å; L24-V38 VanDerWaalsContact O-CA 3.3Å; L24-V38 WeakPolarHBondContact O-CA 3.29Å; L24-S39 PolarHBondContact N-O 2.87Å; L24-S39 PolarHBondContact O-N 3.48Å; L24-L41 HydrophobicContact CD1-CD2 3.51Å; L24-L41 HydrophobicContact CG-CD2 4.1Å; L24-F210 HydrophobicContact CD1-CD1 3.99Å; L24-F210 HydrophobicContact CD1-CE1 4.37Å; L24-V211 HydrophobicContact CD2-CG2 3.53Å |
| 25 | A | 95.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A14 L37 V38 L84 | A14-A25 PolarHBondContact N-O 3.41Å; A14-A25 PolarHBondContact O-N 3.47Å; A25-L37 CarbonylContact C-O 3.58Å; A25-L37 VanDerWaalsContact CA-O 3.28Å; A25-L37 WeakPolarHBondContact CA-O 3.32Å; A25-V38 HydrophobicContact CB-CG2 4.42Å; A25-L84 HydrophobicContact CB-CD2 4.48Å |
| 26 | K | 95.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 143.1 | 165.2 | 60.3 | 173.7 | -172.1 | 173.1 | 0 | 109.5 | L8 Q11 P12 W13 L37 H134 Y218 | L8-K26 HydrophobicContact CD1-CB 4.4Å; L8-K26 HydrophobicContact CD1-CD 4.23Å; L8-K26 HydrophobicContact CD1-CG 3.84Å; L8-K26 WeakPolarHBondContact CD1-O 3.41Å; L8-K26 PolarHBondContact O-NZ 3.15Å; Q11-K26 HydrophobicContact CB-CB 4.15Å; Q11-K26 HydrophobicContact CB-CD 4.47Å; P12-K26 WeakPolarHBondContact O-CB 3.38Å; W13-K26 HydrophobicContact CD2-CD 4.24Å; W13-K26 HydrophobicContact CD2-CG 4.35Å; W13-K26 HydrophobicContact CE3-CG 4.26Å; W13-K26 HydrophobicContact CZ2-CD 4.41Å; W13-K26 HydrophobicContact CZ3-CG 4.43Å; K26-L37 HydrophobicContact CG-CB 3.99Å; K26-L37 PolarHBondContact N-O 3.19Å; K26-L37 PolarHBondContact O-N 2.87Å; K26-H134 PolarHBondContact NZ-ND1 3.17Å; K26-Y218 PolarHBondContact NZ-OH 3.46Å; K26-Y218 VanDerWaalsContact NZ-OH 3.1Å |
| 27 | V | 95.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141 | -173.9 | 74.4 | 0 | 0 | 0 | 0 | 109.8 | Q11 I29 A35 L36 L80 L84 | Q11-V27 WeakPolarHBondContact CG-O 3.26Å; V27-I29 HydrophobicContact CG1-CG1 4.47Å; V27-I29 HydrophobicContact CG2-CD1 4.17Å; V27-I29 HydrophobicContact CG2-CG1 3.81Å; V27-A35 WeakPolarHBondContact CA-O 3.16Å; V27-A35 WeakPolarHBondContact CG2-O 3.44Å; V27-L36 HydrophobicContact CB-CD1 3.84Å; V27-L36 HydrophobicContact CG2-CB 4.19Å; V27-L36 HydrophobicContact CG2-CD1 3.96Å; V27-L80 HydrophobicContact CG1-CB 4.4Å; V27-L80 HydrophobicContact CG1-CD1 4.05Å; V27-L80 HydrophobicContact CG2-CD1 4.37Å; V27-L84 HydrophobicContact CB-CD1 4.45Å; V27-L84 HydrophobicContact CG1-CD1 3.37Å |
| 28 | F | 95.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 37 Ų | 37 | 25% | 0.25 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.6 | 168.6 | -179.9 | -103.8 | 0 | 0 | 0 | 109.4 | L4 L8 Q11 Y34 A35 | L4-F28 HydrophobicContact CD2-CD1 3.92Å; L4-F28 HydrophobicContact CD2-CE1 4.07Å; L4-F28 WeakPolarHBondContact O-CD1 3.37Å; L8-F28 HydrophobicContact CB-CB 4.08Å; L8-F28 HydrophobicContact CD1-CB 4.44Å; Q11-F28 HydrophobicContact CG-CB 4.08Å; Q11-F28 HydrophobicContact CG-CD2 4.46Å; F28-Y34 CarbonylContact O-C 3.6Å; F28-Y34 WeakPolarHBondContact O-CA 3.37Å; F28-Y34 WeakPolarHBondContact O-CB 3.34Å; F28-A35 PolarHBondContact N-O 3.48Å; F28-A35 PolarHBondContact O-N 2.76Å |
| 29 | I | 95.4 | Very high | 93.6 | Very high | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.5 | -177.7 | -54.6 | -177.2 | 0 | 0 | 0 | 108.7 | V27 L73 L76 D77 L80 | V27-I29 HydrophobicContact CG1-CG1 4.47Å; V27-I29 HydrophobicContact CG2-CD1 4.17Å; V27-I29 HydrophobicContact CG2-CG1 3.81Å; I29-L73 HydrophobicContact CG2-CB 3.94Å; I29-L73 HydrophobicContact CG2-CD2 3.98Å; I29-L76 HydrophobicContact CD1-CB 4.04Å; I29-D77 HydrophobicContact CB-CB 4.17Å; I29-D77 HydrophobicContact CD1-CB 3.95Å; I29-D77 HydrophobicContact CG2-CB 4.18Å; I29-L80 HydrophobicContact CD1-CD1 4.19Å |
| 30 | S | 94.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -179.4 | 173.9 | 85 | 0 | 0 | 0 | 0 | 110.7 | L4 Q32 G33 | L4-S30 VanDerWaalsContact CD2-OG 3.29Å; L4-S30 WeakPolarHBondContact CD2-OG 3.46Å; S30-Q32 PolarHBondContact O-N 3.46Å; S30-Q32 PolarHBondContact OG-N 2.71Å; S30-Q32 VanDerWaalsContact OG-N 3.11Å; S30-G33 PolarHBondContact N-O 2.81Å; S30-G33 PolarHBondContact O-N 3.44Å; S30-G33 VanDerWaalsContact O-O 3.08Å |
| 31 | K | 91.9 | Very high | 95 | Very high | 164 Ų | 164 | 28.7 Ų | 28.7 | 71% | 0.713 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20 | 174.4 | -61 | -178.1 | -177.7 | 177.8 | 0 | 113 | T51 V70 | K31-T51 VanDerWaalsContact O-CG2 3.29Å; K31-T51 WeakPolarHBondContact O-CG2 3.45Å; K31-V70 HydrophobicContact CB-CG1 4.45Å; K31-V70 HydrophobicContact CG-CG1 4.17Å |
| 32 | Q | 92.4 | Very high | 95.3 | Very high | 97 Ų | 97 | 33.8 Ų | 33.8 | 45% | 0.453 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -15.1 | -177.3 | -59.7 | 176.8 | 27.8 | 0 | 0 | 112.8 | E3 S30 D50 T51 | E3-Q32 PolarHBondContact OE2-NE2 3.31Å; S30-Q32 PolarHBondContact O-N 3.46Å; S30-Q32 PolarHBondContact OG-N 2.71Å; S30-Q32 VanDerWaalsContact OG-N 3.11Å; Q32-D50 WeakPolarHBondContact O-CA 3.35Å; Q32-T51 WeakPolarHBondContact O-CG2 3.09Å; Q32-T51 PolarHBondContact O-N 2.92Å |
| 33 | G | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.7 | -158.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S30 V49 | S30-G33 PolarHBondContact N-O 2.81Å; S30-G33 PolarHBondContact O-N 3.44Å; S30-G33 VanDerWaalsContact O-O 3.08Å; G33-V49 WeakPolarHBondContact CA-O 3.41Å |
| 34 | Y | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 159.5 | 174.7 | 66 | -108.6 | 0 | 0 | 0 | 112.5 | F28 L36 E47 Q48 V49 R57 L73 L76 W119 F121 | F28-Y34 CarbonylContact O-C 3.6Å; F28-Y34 WeakPolarHBondContact O-CA 3.37Å; F28-Y34 WeakPolarHBondContact O-CB 3.34Å; Y34-L36 HydrophobicContact CD2-CB 4.24Å; Y34-L36 HydrophobicContact CE2-CB 4.31Å; Y34-E47 HydrophobicContact CE2-CG 4.28Å; Y34-E47 VanDerWaalsContact CE2-OE2 3.29Å; Y34-E47 WeakPolarHBondContact CE2-OE2 3.09Å; Y34-E47 PolarHBondContact OH-OE2 3.47Å; Y34-Q48 WeakPolarHBondContact O-CA 3.42Å; Y34-V49 HydrophobicContact CD1-CG2 3.36Å; Y34-V49 HydrophobicContact CD2-CG2 3.88Å; Y34-V49 HydrophobicContact CE1-CB 4.45Å; Y34-V49 HydrophobicContact CE1-CG2 3.13Å; Y34-V49 HydrophobicContact CE2-CB 4.46Å; Y34-V49 HydrophobicContact CE2-CG1 4.08Å; Y34-V49 HydrophobicContact CE2-CG2 3.64Å; Y34-V49 HydrophobicContact CG-CG2 3.73Å; Y34-V49 PolarHBondContact N-O 2.79Å; Y34-V49 PolarHBondContact O-N 3.11Å; Y34-R57 PolarHBondContact OH-NH1 3.01Å; Y34-R57 VanDerWaalsContact OH-NH1 3.11Å; Y34-L73 HydrophobicContact CD1-CD2 3.73Å; Y34-L76 HydrophobicContact CE1-CD1 4.32Å; Y34-W119 AromaticContact CE1-CZ2 3.65Å; Y34-W119 HydrophobicContact CE1-CZ2 3.65Å; Y34-W119 AromaticContact CZ-NE1 3.96Å; Y34-W119 WeakPolarHBondContact OH-CZ2 3.12Å; Y34-W119 PolarHBondContact OH-NE1 3.21Å; Y34-F121 HydrophobicContact CE1-CD1 4.43Å; Y34-F121 HydrophobicContact CE1-CE1 4.09Å; Y34-F121 AromaticContact CE2-CD1 3.77Å; Y34-F121 HydrophobicContact CE2-CD1 3.77Å; Y34-F121 AromaticContact CE2-CE1 3.98Å; Y34-F121 HydrophobicContact CE2-CE1 3.98Å; Y34-F121 AromaticContact CZ-CD1 3.59Å; Y34-F121 AromaticContact CZ-CE1 3.68Å; Y34-F121 VanDerWaalsContact OH-CD1 3.29Å; Y34-F121 WeakPolarHBondContact OH-CD1 3.5Å |
| 35 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L4 E5 L8 V27 F28 E47 | L4-A35 HydrophobicContact CB-CB 3.99Å; E5-A35 WeakPolarHBondContact OE1-CB 3.42Å; L8-A35 HydrophobicContact CB-CB 4.22Å; L8-A35 HydrophobicContact CD2-CB 3.76Å; L8-A35 HydrophobicContact CG-CB 4.48Å; V27-A35 WeakPolarHBondContact CA-O 3.16Å; V27-A35 WeakPolarHBondContact CG2-O 3.44Å; F28-A35 PolarHBondContact N-O 3.48Å; F28-A35 PolarHBondContact O-N 2.76Å; A35-E47 CarbonylContact C-O 3.59Å; A35-E47 WeakPolarHBondContact CA-O 3.27Å |
| 36 | L | 97.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.6 | -176.5 | 173.8 | 67.5 | 0 | 0 | 0 | 108.8 | V27 Y34 V38 H46 E47 F121 | V27-L36 HydrophobicContact CB-CD1 3.84Å; V27-L36 HydrophobicContact CG2-CB 4.19Å; V27-L36 HydrophobicContact CG2-CD1 3.96Å; Y34-L36 HydrophobicContact CD2-CB 4.24Å; Y34-L36 HydrophobicContact CE2-CB 4.31Å; L36-V38 HydrophobicContact CD1-CG2 3.99Å; L36-V38 HydrophobicContact CD2-CG2 3.94Å; L36-V38 HydrophobicContact CG-CG2 3.79Å; L36-H46 WeakPolarHBondContact O-CA 3.44Å; L36-H46 PolarHBondContact O-CD2 3.37Å; L36-E47 PolarHBondContact N-O 3.06Å; L36-E47 PolarHBondContact O-N 2.8Å; L36-F121 HydrophobicContact CD2-CB 3.72Å; L36-F121 HydrophobicContact CD2-CD1 3.44Å; L36-F121 VanDerWaalsContact CD2-CD1 3.44Å; L36-F121 HydrophobicContact CD2-CD2 4.32Å; L36-F121 HydrophobicContact CD2-CE1 4.13Å; L36-F121 HydrophobicContact CD2-CG 3.57Å |
| 37 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.1 | 169.8 | -153.3 | 73.3 | 0 | 0 | 0 | 109.4 | L8 W13 A25 K26 V44 W45 H46 A126 H134 | L8-L37 HydrophobicContact CD2-CB 4.29Å; W13-L37 HydrophobicContact CH2-CB 4.42Å; W13-L37 HydrophobicContact CH2-CD2 3.61Å; W13-L37 HydrophobicContact CH2-CG 4.07Å; W13-L37 HydrophobicContact CZ2-CD2 3.78Å; A25-L37 CarbonylContact C-O 3.58Å; A25-L37 VanDerWaalsContact CA-O 3.28Å; A25-L37 WeakPolarHBondContact CA-O 3.32Å; K26-L37 HydrophobicContact CG-CB 3.99Å; K26-L37 PolarHBondContact N-O 3.19Å; K26-L37 PolarHBondContact O-N 2.87Å; L37-V44 HydrophobicContact CD1-CG1 3.9Å; L37-V44 HydrophobicContact CD2-CG1 4.08Å; L37-V44 HydrophobicContact CG-CG1 3.79Å; L37-W45 WeakPolarHBondContact CA-O 3.45Å; L37-W45 WeakPolarHBondContact CD1-O 3.48Å; L37-H46 HydrophobicContact CD1-CB 3.8Å; L37-A126 HydrophobicContact CD1-CB 4.12Å; L37-H134 HydrophobicContact CD2-CB 3.67Å; L37-H134 VanDerWaalsContact CD2-CD2 3.47Å; L37-H134 WeakPolarHBondContact CD2-CD2 3.26Å |
| 38 | V | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.5 | -176.7 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | L23 L24 A25 L36 V44 W45 L104 | L23-V38 HydrophobicContact CB-CG1 3.99Å; L23-V38 HydrophobicContact CD1-CG1 3.63Å; L23-V38 HydrophobicContact CD2-CG1 4.3Å; L23-V38 HydrophobicContact CG-CG1 4.19Å; L24-V38 CarbonylContact O-C 3.46Å; L24-V38 VanDerWaalsContact O-CA 3.3Å; L24-V38 WeakPolarHBondContact O-CA 3.29Å; A25-V38 HydrophobicContact CB-CG2 4.42Å; L36-V38 HydrophobicContact CD1-CG2 3.99Å; L36-V38 HydrophobicContact CD2-CG2 3.94Å; L36-V38 HydrophobicContact CG-CG2 3.79Å; V38-V44 CarbonylContact O-C 3.59Å; V38-V44 WeakPolarHBondContact O-CA 3.35Å; V38-W45 PolarHBondContact N-O 3.42Å; V38-W45 PolarHBondContact O-N 3.39Å; V38-L104 HydrophobicContact CB-CD2 4.11Å; V38-L104 HydrophobicContact CG1-CD2 3.68Å |
| 39 | S | 96.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.8 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | L24 L41 Q43 | L24-S39 PolarHBondContact N-O 2.87Å; L24-S39 PolarHBondContact O-N 3.48Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact OG-N 3.05Å; S39-L41 VanDerWaalsContact OG-N 3.08Å; S39-Q43 VanDerWaalsContact CA-O 3.28Å; S39-Q43 WeakPolarHBondContact CA-O 3.5Å; S39-Q43 WeakPolarHBondContact CB-O 3.45Å; S39-Q43 PolarHBondContact OG-O 3.36Å |
| 40 | D | 95.1 | Very high | 96.1 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | trans | -99 | 16.7 | 169.5 | 66.9 | -13 | 0 | 0 | 0 | 111.7 | L23 Q42 Q43 W45 | L23-D40 HydrophobicContact CD2-CB 3.65Å; D40-Q42 PolarHBondContact O-N 3.44Å; D40-Q42 WeakPolarHBondContact OD1-CA 3.27Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Q42 PolarHBondContact OD1-N 3.36Å; D40-Q43 PolarHBondContact OD1-N 2.98Å; D40-W45 HydrophobicContact CB-CH2 4.32Å; D40-W45 HydrophobicContact CB-CZ3 4.08Å; D40-W45 WeakPolarHBondContact OD2-CH2 3.12Å | ||
| 41 | L | 95.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 34% | 0.34 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 68.8 | -2.4 | -171.5 | -49.4 | 176.8 | 0 | 0 | 0 | 115.6 | L24 S39 I204 | L24-L41 HydrophobicContact CD1-CD2 3.51Å; L24-L41 HydrophobicContact CG-CD2 4.1Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact OG-N 3.05Å; S39-L41 VanDerWaalsContact OG-N 3.08Å; L41-I204 HydrophobicContact CD1-CD1 4.47Å |
| 42 | Q | 94.2 | Very high | 96.3 | Very high | 162 Ų | 162 | 37.3 Ų | 37.3 | 76% | 0.757 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -107.1 | -43.9 | 174.2 | -59.4 | -58.4 | -40.2 | 0 | 0 | 111.1 | D40 | D40-Q42 PolarHBondContact O-N 3.44Å; D40-Q42 WeakPolarHBondContact OD1-CA 3.27Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Q42 PolarHBondContact OD1-N 3.36Å |
| 43 | Q | 95.8 | Very high | 96.4 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | trans | -128.5 | 165.6 | 179.3 | -67.3 | -178.6 | 88.5 | 0 | 0 | 110.3 | S39 D40 W45 L125 | S39-Q43 VanDerWaalsContact CA-O 3.28Å; S39-Q43 WeakPolarHBondContact CA-O 3.5Å; S39-Q43 WeakPolarHBondContact CB-O 3.45Å; S39-Q43 PolarHBondContact OG-O 3.36Å; D40-Q43 PolarHBondContact OD1-N 2.98Å; Q43-W45 HydrophobicContact CB-CE3 4.43Å; Q43-W45 HydrophobicContact CB-CH2 3.53Å; Q43-W45 HydrophobicContact CB-CZ2 3.57Å; Q43-W45 HydrophobicContact CB-CZ3 3.98Å; Q43-W45 HydrophobicContact CG-CH2 4.49Å; Q43-W45 HydrophobicContact CG-CZ2 4.34Å; Q43-L125 HydrophobicContact CB-CD2 4.47Å | ||
| 44 | V | 97.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.8 | 177.6 | -172.6 | 0 | 0 | 0 | 0 | 107.3 | L37 V38 A126 V131 L135 | L37-V44 HydrophobicContact CD1-CG1 3.9Å; L37-V44 HydrophobicContact CD2-CG1 4.08Å; L37-V44 HydrophobicContact CG-CG1 3.79Å; V38-V44 CarbonylContact O-C 3.59Å; V38-V44 WeakPolarHBondContact O-CA 3.35Å; V44-A126 HydrophobicContact CB-CB 3.95Å; V44-A126 HydrophobicContact CG1-CB 3.66Å; V44-A126 WeakPolarHBondContact O-CB 3.33Å; V44-A126 PolarHBondContact O-N 2.84Å; V44-V131 HydrophobicContact CB-CG2 3.98Å; V44-V131 HydrophobicContact CG1-CG2 4.37Å; V44-V131 HydrophobicContact CG2-CG2 4.06Å; V44-L135 HydrophobicContact CG2-CD1 3.66Å |
| 45 | W | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148.9 | 175.7 | -57.7 | -93.4 | 0 | 0 | 0 | 111 | L37 V38 D40 Q43 H99 D102 L104 C123 I124 | L37-W45 WeakPolarHBondContact CA-O 3.45Å; L37-W45 WeakPolarHBondContact CD1-O 3.48Å; V38-W45 PolarHBondContact N-O 3.42Å; V38-W45 PolarHBondContact O-N 3.39Å; D40-W45 HydrophobicContact CB-CH2 4.32Å; D40-W45 HydrophobicContact CB-CZ3 4.08Å; D40-W45 WeakPolarHBondContact OD2-CH2 3.12Å; Q43-W45 HydrophobicContact CB-CE3 4.43Å; Q43-W45 HydrophobicContact CB-CH2 3.53Å; Q43-W45 HydrophobicContact CB-CZ2 3.57Å; Q43-W45 HydrophobicContact CB-CZ3 3.98Å; Q43-W45 HydrophobicContact CG-CH2 4.49Å; Q43-W45 HydrophobicContact CG-CZ2 4.34Å; W45-H99 AromaticContact CH2-CE1 3.67Å; W45-H99 AromaticContact CZ2-CE1 3.72Å; W45-H99 AromaticContact CZ2-ND1 3.96Å; W45-D102 PolarHBondContact NE1-O 2.9Å; W45-L104 HydrophobicContact CB-CB 4.19Å; W45-L104 HydrophobicContact CB-CD2 4.45Å; W45-L104 HydrophobicContact CD2-CB 3.78Å; W45-L104 HydrophobicContact CD2-CD1 4.39Å; W45-L104 HydrophobicContact CD2-CD2 4.02Å; W45-L104 HydrophobicContact CD2-CG 4.3Å; W45-L104 HydrophobicContact CE3-CB 4.44Å; W45-L104 HydrophobicContact CE3-CD1 4.43Å; W45-L104 HydrophobicContact CE3-CD2 3.84Å; W45-L104 HydrophobicContact CE3-CG 4.48Å; W45-L104 HydrophobicContact CG-CB 3.64Å; W45-L104 HydrophobicContact CG-CD2 4.3Å; W45-L104 HydrophobicContact CH2-CD1 4.31Å; W45-L104 HydrophobicContact CZ2-CD1 4.3Å; W45-L104 HydrophobicContact CZ3-CD1 4.39Å; W45-L104 HydrophobicContact CZ3-CD2 4.38Å; W45-C123 HydrophobicContact CB-CB 3.5Å; W45-C123 VanDerWaalsContact CB-CB 3.5Å; W45-C123 HydrophobicContact CG-CB 4.42Å; W45-I124 CarbonylContact C-O 3.59Å; W45-I124 WeakPolarHBondContact CA-O 3.46Å; W45-I124 WeakPolarHBondContact CB-O 3.38Å |
| 46 | H | 97.9 | Very high | 96.1 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.1 | -177.7 | 174.3 | -110.4 | 0 | 0 | 0 | 110 | E5 L36 L37 C123 I124 A126 L130 | E5-H46 IonicContact OE1-CE1 2.99Å; E5-H46 PolarHBondContact OE1-CE1 2.91Å; E5-H46 IonicContact OE1-NE2 3.11Å; E5-H46 PolarHBondContact OE1-NE2 3.48Å; E5-H46 IonicContact OE2-NE2 3.01Å; L36-H46 WeakPolarHBondContact O-CA 3.44Å; L36-H46 PolarHBondContact O-CD2 3.37Å; L37-H46 HydrophobicContact CD1-CB 3.8Å; H46-C123 WeakPolarHBondContact O-CA 3.37Å; H46-I124 PolarHBondContact N-O 3.49Å; H46-I124 PolarHBondContact O-N 3.42Å; H46-A126 HydrophobicContact CB-CB 3.97Å; H46-L130 HydrophobicContact CB-CD1 4.13Å |
| 47 | E | 97.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.2 | 164.9 | -172.6 | -176 | -143.9 | 0 | 0 | 109.3 | Y34 A35 L36 V49 R57 F121 H122 C123 | Y34-E47 HydrophobicContact CE2-CG 4.28Å; Y34-E47 VanDerWaalsContact CE2-OE2 3.29Å; Y34-E47 WeakPolarHBondContact CE2-OE2 3.09Å; Y34-E47 PolarHBondContact OH-OE2 3.47Å; A35-E47 CarbonylContact C-O 3.59Å; A35-E47 WeakPolarHBondContact CA-O 3.27Å; L36-E47 PolarHBondContact N-O 3.06Å; L36-E47 PolarHBondContact O-N 2.8Å; E47-V49 HydrophobicContact CG-CG1 3.77Å; E47-R57 IonicContact OE1-CZ 3.56Å; E47-R57 IonicContact OE1-NH1 3.49Å; E47-R57 PolarHBondContact OE1-NH1 2.93Å; E47-R57 IonicContact OE1-NH2 2.96Å; E47-R57 PolarHBondContact OE1-NH2 3.29Å; E47-R57 IonicContact OE2-NH1 2.71Å; E47-R57 PolarHBondContact OE2-NH1 3.29Å; E47-F121 VanDerWaalsContact OE2-CA 3.24Å; E47-F121 WeakPolarHBondContact OE2-CA 3.34Å; E47-F121 WeakPolarHBondContact OE2-CB 3.48Å; E47-F121 WeakPolarHBondContact OE2-CD1 3.46Å; E47-H122 WeakPolarHBondContact CG-O 3.48Å; E47-H122 PolarHBondContact OE1-N 2.96Å; E47-H122 PolarHBondContact OE2-N 3.45Å; E47-C123 HydrophobicContact CB-CB 4.36Å |
| 48 | Q | 96.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.3 | 168.3 | -175.6 | 176.2 | 41.7 | 0 | 0 | 108.8 | M1 L4 E5 Y34 | M1-Q48 PolarHBondContact O-NE2 3.49Å; M1-Q48 VanDerWaalsContact O-NE2 3.11Å; L4-Q48 HydrophobicContact CD1-CG 4.41Å; E5-Q48 PolarHBondContact OE1-NE2 2.94Å; Y34-Q48 WeakPolarHBondContact O-CA 3.42Å |
| 49 | V | 96.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.9 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | G33 Y34 E47 V53 V54 | G33-V49 WeakPolarHBondContact CA-O 3.41Å; Y34-V49 HydrophobicContact CD1-CG2 3.36Å; Y34-V49 HydrophobicContact CD2-CG2 3.88Å; Y34-V49 HydrophobicContact CE1-CB 4.45Å; Y34-V49 HydrophobicContact CE1-CG2 3.13Å; Y34-V49 HydrophobicContact CE2-CB 4.46Å; Y34-V49 HydrophobicContact CE2-CG1 4.08Å; Y34-V49 HydrophobicContact CE2-CG2 3.64Å; Y34-V49 HydrophobicContact CG-CG2 3.73Å; Y34-V49 PolarHBondContact N-O 2.79Å; Y34-V49 PolarHBondContact O-N 3.11Å; E47-V49 HydrophobicContact CG-CG1 3.77Å; V49-V53 HydrophobicContact CB-CB 4.2Å; V49-V53 HydrophobicContact CB-CG1 4.08Å; V49-V53 HydrophobicContact CG1-CG1 4Å; V49-V54 HydrophobicContact CB-CG2 4.49Å; V49-V54 HydrophobicContact CG2-CG2 3.68Å |
| 50 | D | 95.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 178.8 | 171.2 | 69.9 | 21 | 0 | 0 | 0 | 111.9 | Q32 S52 V53 V54 | Q32-D50 WeakPolarHBondContact O-CA 3.35Å; D50-S52 PolarHBondContact O-N 3.2Å; D50-S52 WeakPolarHBondContact OD1-CA 3.12Å; D50-S52 VanDerWaalsContact OD1-CB 3.32Å; D50-S52 WeakPolarHBondContact OD1-CB 3.26Å; D50-S52 PolarHBondContact OD1-N 3.22Å; D50-S52 PolarHBondContact OD1-OG 3.38Å; D50-S52 PolarHBondContact OD2-OG 3.22Å; D50-V53 PolarHBondContact O-N 3.26Å; D50-V53 PolarHBondContact OD1-N 2.94Å; D50-V54 WeakPolarHBondContact O-CG2 3.23Å; D50-V54 PolarHBondContact O-N 2.9Å |
| 51 | T | 95 | Very high | 95.5 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -24.2 | 179.1 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | K31 Q32 S55 P69 L73 | K31-T51 VanDerWaalsContact O-CG2 3.29Å; K31-T51 WeakPolarHBondContact O-CG2 3.45Å; Q32-T51 WeakPolarHBondContact O-CG2 3.09Å; Q32-T51 PolarHBondContact O-N 2.92Å; T51-S55 WeakPolarHBondContact O-CB 3.35Å; T51-S55 PolarHBondContact O-N 3.23Å; T51-P69 HydrophobicContact CG2-CB 4.41Å; T51-L73 HydrophobicContact CG2-CD1 4.37Å |
| 52 | S | 94.7 | Very high | 95.3 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.1 | -48.4 | 180 | 78.5 | 0 | 0 | 0 | 0 | 110.8 | D50 V54 S55 Q56 | D50-S52 PolarHBondContact O-N 3.2Å; D50-S52 WeakPolarHBondContact OD1-CA 3.12Å; D50-S52 VanDerWaalsContact OD1-CB 3.32Å; D50-S52 WeakPolarHBondContact OD1-CB 3.26Å; D50-S52 PolarHBondContact OD1-N 3.22Å; D50-S52 PolarHBondContact OD1-OG 3.38Å; D50-S52 PolarHBondContact OD2-OG 3.22Å; S52-V54 VanDerWaalsContact C-N 3.27Å; S52-V54 PolarHBondContact O-N 2.85Å; S52-S55 WeakPolarHBondContact O-CB 3.36Å; S52-S55 PolarHBondContact O-N 2.95Å; S52-Q56 PolarHBondContact O-N 3.46Å |
| 53 | V | 95.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | V49 D50 S55 Q56 R57 | V49-V53 HydrophobicContact CB-CB 4.2Å; V49-V53 HydrophobicContact CB-CG1 4.08Å; V49-V53 HydrophobicContact CG1-CG1 4Å; D50-V53 PolarHBondContact O-N 3.26Å; D50-V53 PolarHBondContact OD1-N 2.94Å; V53-S55 PolarHBondContact O-N 3.1Å; V53-Q56 PolarHBondContact O-N 3.3Å; V53-R57 VanDerWaalsContact O-CB 3.28Å; V53-R57 WeakPolarHBondContact O-CB 3.31Å; V53-R57 PolarHBondContact O-N 3.09Å |
| 54 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | V49 D50 S52 Q56 A58 P69 F72 L73 W119 | V49-V54 HydrophobicContact CB-CG2 4.49Å; V49-V54 HydrophobicContact CG2-CG2 3.68Å; D50-V54 WeakPolarHBondContact O-CG2 3.23Å; D50-V54 PolarHBondContact O-N 2.9Å; S52-V54 VanDerWaalsContact C-N 3.27Å; S52-V54 PolarHBondContact O-N 2.85Å; V54-Q56 PolarHBondContact O-N 2.91Å; V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 3.2Å; V54-P69 HydrophobicContact CB-CB 4.38Å; V54-P69 HydrophobicContact CG1-CB 3.97Å; V54-F72 HydrophobicContact CG1-CB 4.3Å; V54-L73 HydrophobicContact CG1-CG 4.26Å; V54-L73 HydrophobicContact CG2-CD2 3.98Å; V54-L73 HydrophobicContact CG2-CG 4.42Å; V54-W119 HydrophobicContact CB-CH2 4.17Å; V54-W119 HydrophobicContact CG1-CH2 3.98Å; V54-W119 HydrophobicContact CG1-CZ3 4.38Å; V54-W119 HydrophobicContact CG2-CH2 4.04Å; V54-W119 HydrophobicContact CG2-CZ2 4.44Å |
| 55 | S | 93.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 177.5 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | T51 S52 V53 K59 | T51-S55 WeakPolarHBondContact O-CB 3.35Å; T51-S55 PolarHBondContact O-N 3.23Å; S52-S55 WeakPolarHBondContact O-CB 3.36Å; S52-S55 PolarHBondContact O-N 2.95Å; V53-S55 PolarHBondContact O-N 3.1Å; S55-K59 VanDerWaalsContact O-CG 3.26Å; S55-K59 WeakPolarHBondContact O-CG 3.46Å; S55-K59 PolarHBondContact O-N 3.16Å; S55-K59 VanDerWaalsContact O-N 3.15Å |
| 56 | Q | 94.9 | Very high | 93.2 | Very high | 137 Ų | 137 | 70.4 Ų | 70.4 | 64% | 0.64 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64 | -52 | -179.9 | -179.3 | 178.7 | -6.7 | 0 | 0 | 111.4 | S52 V53 V54 A58 K59 E60 | S52-Q56 PolarHBondContact O-N 3.46Å; V53-Q56 PolarHBondContact O-N 3.3Å; V54-Q56 PolarHBondContact O-N 2.91Å; Q56-A58 PolarHBondContact O-N 3.49Å; Q56-K59 PolarHBondContact O-N 3.38Å; Q56-E60 PolarHBondContact O-N 3.21Å |
| 57 | R | 95.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 71.3 Ų | 71.3 | 11% | 0.106 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | -177.7 | -168.2 | -177.5 | -59 | 175.1 | 2.1 | 111.8 | Y34 E47 V53 K59 E60 L61 W119 N120 | Y34-R57 PolarHBondContact OH-NH1 3.01Å; Y34-R57 VanDerWaalsContact OH-NH1 3.11Å; E47-R57 IonicContact OE1-CZ 3.56Å; E47-R57 IonicContact OE1-NH1 3.49Å; E47-R57 PolarHBondContact OE1-NH1 2.93Å; E47-R57 IonicContact OE1-NH2 2.96Å; E47-R57 PolarHBondContact OE1-NH2 3.29Å; E47-R57 IonicContact OE2-NH1 2.71Å; E47-R57 PolarHBondContact OE2-NH1 3.29Å; V53-R57 VanDerWaalsContact O-CB 3.28Å; V53-R57 WeakPolarHBondContact O-CB 3.31Å; V53-R57 PolarHBondContact O-N 3.09Å; R57-K59 PolarHBondContact O-N 3.37Å; R57-E60 PolarHBondContact O-N 3.38Å; R57-L61 HydrophobicContact CG-CD1 3.79Å; R57-L61 HydrophobicContact CG-CG 4.3Å; R57-L61 WeakPolarHBondContact O-CB 3.41Å; R57-L61 WeakPolarHBondContact O-CG 3.25Å; R57-L61 PolarHBondContact O-N 2.97Å; R57-W119 HydrophobicContact CB-CH2 4.05Å; R57-W119 HydrophobicContact CB-CZ3 4.15Å; R57-W119 HydrophobicContact CG-CH2 4.23Å; R57-W119 HydrophobicContact CG-CZ3 4.2Å; R57-N120 VanDerWaalsContact CD-O 3.32Å; R57-N120 WeakPolarHBondContact CD-O 3.44Å; R57-N120 PolarHBondContact NH1-O 3.26Å |
| 58 | A | 92.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V54 Q56 E60 N62 F72 W119 | V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 3.2Å; Q56-A58 PolarHBondContact O-N 3.49Å; A58-E60 VanDerWaalsContact C-N 3.34Å; A58-E60 PolarHBondContact O-N 3.29Å; A58-N62 WeakPolarHBondContact O-CA 3.4Å; A58-N62 VanDerWaalsContact O-CB 3.31Å; A58-N62 WeakPolarHBondContact O-CB 3.48Å; A58-N62 PolarHBondContact O-N 3.27Å; A58-N62 PolarHBondContact O-ND2 3.1Å; A58-F72 HydrophobicContact CB-CD1 4.38Å; A58-F72 HydrophobicContact CB-CD2 3.74Å; A58-F72 HydrophobicContact CB-CE1 4.27Å; A58-F72 HydrophobicContact CB-CE2 3.6Å; A58-F72 HydrophobicContact CB-CG 4.12Å; A58-F72 HydrophobicContact CB-CZ 3.88Å; A58-W119 HydrophobicContact CB-CZ3 4.21Å |
| 59 | K | 92.6 | Very high | 92 | Very high | 144 Ų | 144 | 73.4 Ų | 73.4 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 177 | -74.9 | 173 | -176.9 | 179 | 0 | 112.6 | S55 Q56 R57 | S55-K59 VanDerWaalsContact O-CG 3.26Å; S55-K59 WeakPolarHBondContact O-CG 3.46Å; S55-K59 PolarHBondContact O-N 3.16Å; S55-K59 VanDerWaalsContact O-N 3.15Å; Q56-K59 PolarHBondContact O-N 3.38Å; R57-K59 PolarHBondContact O-N 3.37Å |
| 60 | E | 94.9 | Very high | 91.8 | Very high | 132 Ų | 132 | 75.8 Ų | 75.8 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.4 | -49.1 | 178.9 | -174.9 | 179 | 173.8 | 0 | 0 | 111.9 | Q56 R57 A58 | Q56-E60 PolarHBondContact O-N 3.21Å; R57-E60 PolarHBondContact O-N 3.38Å; A58-E60 VanDerWaalsContact C-N 3.34Å; A58-E60 PolarHBondContact O-N 3.29Å |
| 61 | L | 94.1 | Very high | 91.6 | Very high | 45 Ų | 45 | 74.9 Ų | 74.9 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -79.3 | -31.3 | -175.2 | -62.3 | 179.9 | 0 | 0 | 0 | 113 | R57 N120 | R57-L61 HydrophobicContact CG-CD1 3.79Å; R57-L61 HydrophobicContact CG-CG 4.3Å; R57-L61 WeakPolarHBondContact O-CB 3.41Å; R57-L61 WeakPolarHBondContact O-CG 3.25Å; R57-L61 PolarHBondContact O-N 2.97Å; L61-N120 HydrophobicContact CD1-CB 4.23Å; L61-N120 WeakPolarHBondContact CD2-ND2 3.34Å |
| 62 | N | 92.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | trans | -124.3 | 63.6 | -172.7 | -53.7 | -81.6 | 0 | 0 | 0 | 111.4 | A58 R64 L65 Y118 | A58-N62 WeakPolarHBondContact O-CA 3.4Å; A58-N62 VanDerWaalsContact O-CB 3.31Å; A58-N62 WeakPolarHBondContact O-CB 3.48Å; A58-N62 PolarHBondContact O-N 3.27Å; A58-N62 PolarHBondContact O-ND2 3.1Å; N62-R64 PolarHBondContact O-N 3.2Å; N62-L65 HydrophobicContact CB-CB 3.91Å; N62-L65 HydrophobicContact CB-CD1 3.91Å; N62-L65 HydrophobicContact CB-CG 4.15Å; N62-L65 PolarHBondContact O-N 2.87Å; N62-Y118 PolarHBondContact ND2-O 3.29Å; N62-Y118 PolarHBondContact OD1-N 3.41Å | ||
| 63 | K | 89.4 | Confident | 91.4 | Very high | 188 Ų | 188 | 69.3 Ų | 69.3 | 82% | 0.817 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -19.6 | -174.9 | -61.3 | -175.2 | -178.9 | -179.8 | 0 | 115.7 | ||
| 64 | R | 84.7 | Confident | 91.2 | Very high | 235 Ų | 235 | 70 Ų | 70 | 89% | 0.887 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -11.6 | -179.8 | -61.4 | -178.8 | -175.7 | -96.7 | 1.8 | 113.4 | N62 | N62-R64 PolarHBondContact O-N 3.2Š|
| 65 | L | 83.2 | Confident | 91 | Very high | 31 Ų | 31 | 71.4 Ų | 71.4 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | trans | -95.6 | 121.3 | 179.9 | -68.9 | 179.1 | 0 | 0 | 0 | 109.9 | N62 F72 L112 L115 F117 | N62-L65 HydrophobicContact CB-CB 3.91Å; N62-L65 HydrophobicContact CB-CD1 3.91Å; N62-L65 HydrophobicContact CB-CG 4.15Å; N62-L65 PolarHBondContact O-N 2.87Å; L65-F72 HydrophobicContact CB-CE1 4.31Å; L65-F72 HydrophobicContact CB-CZ 4.05Å; L65-F72 HydrophobicContact CD1-CE1 4.27Å; L65-L112 HydrophobicContact CD1-CD2 4.48Å; L65-L115 HydrophobicContact CD2-CB 4.2Å; L65-L115 HydrophobicContact CD2-CD1 3.56Å; L65-F117 HydrophobicContact CD1-CD2 3.87Å | ||
| 66 | T | 83.9 | Confident | 91 | Very high | 147 Ų | 147 | 69.7 Ų | 69.7 | 90% | 0.902 | 36% | 0.358 | S | S | * | . | trans | -112.9 | 102.8 | 173.1 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 67 | A | 85.5 | Confident | 90.8 | Very high | 45 Ų | 45 | 64.4 Ų | 64.4 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | trans | -144.7 | 153 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | A71 F72 | A67-A71 HydrophobicContact CB-CB 4.22Å; A67-F72 HydrophobicContact CB-CD2 4.19Å; A67-F72 HydrophobicContact CB-CE2 3.73Å; A67-F72 HydrophobicContact CB-CZ 3.95Å; A67-F72 WeakPolarHBondContact O-CE2 3.42Å | ||
| 68 | P | 89.4 | Confident | 90.5 | Very high | 87 Ų | 87 | 68.2 Ų | 68.2 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | trans | -66.4 | 151.3 | 173.5 | 27.6 | -33.5 | 0 | 0 | 0 | 110.7 | V70 A71 F72 | P68-V70 PolarHBondContact O-N 3.01Å; P68-V70 VanDerWaalsContact O-N 3.1Å; P68-A71 HydrophobicContact CG-CB 3.96Å; P68-A71 WeakPolarHBondContact O-CB 3.4Å; P68-A71 PolarHBondContact O-N 3.37Å; P68-F72 PolarHBondContact O-N 3.45Å | ||
| 69 | P | 91.1 | Very high | 90.3 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53.3 | -35.5 | -179.2 | -29.1 | 36.7 | 0 | 0 | 0 | 114.1 | T51 V54 A71 F72 L73 | T51-P69 HydrophobicContact CG2-CB 4.41Å; V54-P69 HydrophobicContact CB-CB 4.38Å; V54-P69 HydrophobicContact CG1-CB 3.97Å; P69-A71 VanDerWaalsContact C-N 3.31Å; P69-A71 PolarHBondContact O-N 2.89Å; P69-F72 WeakPolarHBondContact O-CB 3.35Å; P69-F72 PolarHBondContact O-N 3Å; P69-L73 WeakPolarHBondContact O-CG 3.32Å; P69-L73 PolarHBondContact O-N 3.38Å |
| 70 | V | 92.2 | Very high | 90 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | K31 P68 L73 C74 | K31-V70 HydrophobicContact CB-CG1 4.45Å; K31-V70 HydrophobicContact CG-CG1 4.17Å; P68-V70 PolarHBondContact O-N 3.01Å; P68-V70 VanDerWaalsContact O-N 3.1Å; V70-L73 PolarHBondContact O-N 3.27Å; V70-C74 WeakPolarHBondContact O-CB 3.42Å; V70-C74 PolarHBondContact O-N 3.03Å; V70-C74 PolarHBondContact O-SG 3.43Å; V70-C74 VanDerWaalsContact O-SG 3.33Å |
| 71 | A | 91.4 | Very high | 89.5 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A67 P68 P69 C74 H75 | A67-A71 HydrophobicContact CB-CB 4.22Å; P68-A71 HydrophobicContact CG-CB 3.96Å; P68-A71 WeakPolarHBondContact O-CB 3.4Å; P68-A71 PolarHBondContact O-N 3.37Å; P69-A71 VanDerWaalsContact C-N 3.31Å; P69-A71 PolarHBondContact O-N 2.89Å; A71-C74 PolarHBondContact O-N 3.44Å; A71-H75 PolarHBondContact O-N 2.89Å |
| 72 | F | 91.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 172.5 | -74.3 | -64.8 | 0 | 0 | 0 | 112 | V54 A58 L65 A67 P68 P69 H75 L76 F117 | V54-F72 HydrophobicContact CG1-CB 4.3Å; A58-F72 HydrophobicContact CB-CD1 4.38Å; A58-F72 HydrophobicContact CB-CD2 3.74Å; A58-F72 HydrophobicContact CB-CE1 4.27Å; A58-F72 HydrophobicContact CB-CE2 3.6Å; A58-F72 HydrophobicContact CB-CG 4.12Å; A58-F72 HydrophobicContact CB-CZ 3.88Å; L65-F72 HydrophobicContact CB-CE1 4.31Å; L65-F72 HydrophobicContact CB-CZ 4.05Å; L65-F72 HydrophobicContact CD1-CE1 4.27Å; A67-F72 HydrophobicContact CB-CD2 4.19Å; A67-F72 HydrophobicContact CB-CE2 3.73Å; A67-F72 HydrophobicContact CB-CZ 3.95Å; A67-F72 WeakPolarHBondContact O-CE2 3.42Å; P68-F72 PolarHBondContact O-N 3.45Å; P69-F72 WeakPolarHBondContact O-CB 3.35Å; P69-F72 PolarHBondContact O-N 3Å; F72-H75 PolarHBondContact O-N 3.48Å; F72-L76 WeakPolarHBondContact O-CG 3.34Å; F72-L76 PolarHBondContact O-N 3.03Å; F72-F117 HydrophobicContact CD1-CD2 4.41Å; F72-F117 AromaticContact CD1-CE2 3.5Å; F72-F117 HydrophobicContact CD1-CE2 3.5Å; F72-F117 VanDerWaalsContact CD1-CE2 3.5Å; F72-F117 HydrophobicContact CD1-CZ 4.21Å; F72-F117 HydrophobicContact CE1-CD2 4.29Å; F72-F117 AromaticContact CE1-CE2 3.7Å; F72-F117 HydrophobicContact CE1-CE2 3.7Å |
| 73 | L | 94.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.2 | -70.5 | 164.5 | 0 | 0 | 0 | 111.5 | I29 Y34 T51 V54 P69 V70 H75 L76 D77 | I29-L73 HydrophobicContact CG2-CB 3.94Å; I29-L73 HydrophobicContact CG2-CD2 3.98Å; Y34-L73 HydrophobicContact CD1-CD2 3.73Å; T51-L73 HydrophobicContact CG2-CD1 4.37Å; V54-L73 HydrophobicContact CG1-CG 4.26Å; V54-L73 HydrophobicContact CG2-CD2 3.98Å; V54-L73 HydrophobicContact CG2-CG 4.42Å; P69-L73 WeakPolarHBondContact O-CG 3.32Å; P69-L73 PolarHBondContact O-N 3.38Å; V70-L73 PolarHBondContact O-N 3.27Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.19Å; L73-L76 PolarHBondContact O-N 3.37Å; L73-D77 WeakPolarHBondContact O-CB 3.21Å; L73-D77 PolarHBondContact O-N 3.06Å |
| 74 | C | 92.4 | Very high | 87 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 173 | -75.2 | 0 | 0 | 0 | 0 | 112.5 | V70 A71 D77 N78 | V70-C74 WeakPolarHBondContact O-CB 3.42Å; V70-C74 PolarHBondContact O-N 3.03Å; V70-C74 PolarHBondContact O-SG 3.43Å; V70-C74 VanDerWaalsContact O-SG 3.33Å; A71-C74 PolarHBondContact O-N 3.44Å; C74-D77 PolarHBondContact O-N 2.99Å; C74-N78 WeakPolarHBondContact O-CB 3.45Å; C74-N78 VanDerWaalsContact O-CG 3.22Å; C74-N78 PolarHBondContact O-N 3.09Å; C74-N78 PolarHBondContact O-ND2 3.21Å |
| 75 | H | 91.8 | Very high | 86.4 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 176.2 | -175.4 | 55.4 | 0 | 0 | 0 | 112.1 | A71 F72 L73 D77 N78 L79 S110 F117 | A71-H75 PolarHBondContact O-N 2.89Å; F72-H75 PolarHBondContact O-N 3.48Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.19Å; H75-D77 VanDerWaalsContact C-N 3.27Å; H75-D77 PolarHBondContact O-N 2.69Å; H75-N78 PolarHBondContact O-N 3.37Å; H75-L79 WeakPolarHBondContact O-CB 3.28Å; H75-L79 PolarHBondContact O-N 3.49Å; H75-S110 PolarHBondContact NE2-OG 2.78Å; H75-F117 AromaticContact CD2-CD1 3.61Å; H75-F117 AromaticContact CD2-CE1 3.7Å; H75-F117 AromaticContact CD2-CG 3.78Å; H75-F117 AromaticContact CD2-CZ 3.98Å; H75-F117 AromaticContact NE2-CD1 3.7Å; H75-F117 AromaticContact NE2-CG 3.82Å |
| 76 | L | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 175.8 | -71.9 | 173.1 | 0 | 0 | 0 | 112 | I29 Y34 F72 L73 L79 L80 V108 F117 W119 F121 | I29-L76 HydrophobicContact CD1-CB 4.04Å; Y34-L76 HydrophobicContact CE1-CD1 4.32Å; F72-L76 WeakPolarHBondContact O-CG 3.34Å; F72-L76 PolarHBondContact O-N 3.03Å; L73-L76 PolarHBondContact O-N 3.37Å; L76-L79 WeakPolarHBondContact O-CB 3.42Å; L76-L79 PolarHBondContact O-N 3.35Å; L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.97Å; L76-V108 HydrophobicContact CD2-CG1 4.46Å; L76-F117 HydrophobicContact CD2-CE1 3.79Å; L76-F117 HydrophobicContact CD2-CZ 4.08Å; L76-F117 HydrophobicContact CG-CZ 4.41Å; L76-W119 HydrophobicContact CD1-CD2 3.86Å; L76-W119 HydrophobicContact CD1-CE3 4.34Å; L76-W119 HydrophobicContact CD1-CG 4.17Å; L76-W119 HydrophobicContact CD1-CZ2 4.15Å; L76-W119 HydrophobicContact CD2-CB 3.9Å; L76-W119 HydrophobicContact CD2-CD2 4.25Å; L76-W119 HydrophobicContact CD2-CG 3.74Å; L76-F121 HydrophobicContact CD2-CZ 4.36Å |
| 77 | D | 91.6 | Very high | 84.8 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 176.2 | -173.6 | 52.3 | 0 | 0 | 0 | 112.2 | I29 L73 C74 H75 L79 L80 R81 | I29-D77 HydrophobicContact CB-CB 4.17Å; I29-D77 HydrophobicContact CD1-CB 3.95Å; I29-D77 HydrophobicContact CG2-CB 4.18Å; L73-D77 WeakPolarHBondContact O-CB 3.21Å; L73-D77 PolarHBondContact O-N 3.06Å; C74-D77 PolarHBondContact O-N 2.99Å; H75-D77 VanDerWaalsContact C-N 3.27Å; H75-D77 PolarHBondContact O-N 2.69Å; D77-L79 PolarHBondContact O-N 3.24Å; D77-L80 PolarHBondContact O-N 3.35Å; D77-R81 VanDerWaalsContact CG-CZ 3.49Å; D77-R81 VanDerWaalsContact O-CB 3.25Å; D77-R81 WeakPolarHBondContact O-CB 3.43Å; D77-R81 WeakPolarHBondContact O-CG 3.13Å; D77-R81 PolarHBondContact O-N 3.22Å; D77-R81 IonicContact OD1-CZ 2.87Å; D77-R81 IonicContact OD1-NE 3.45Å; D77-R81 PolarHBondContact OD1-NE 3.44Å; D77-R81 IonicContact OD1-NH2 3.53Å; D77-R81 PolarHBondContact OD1-NH2 3.34Å; D77-R81 IonicContact OD2-CZ 2.69Å; D77-R81 IonicContact OD2-NE 3.72Å; D77-R81 PolarHBondContact OD2-NE 3.45Å; D77-R81 IonicContact OD2-NH2 2.7Å; D77-R81 PolarHBondContact OD2-NH2 3.39Å |
| 78 | N | 89.1 | Confident | 83.6 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.7 | -31.4 | 174.2 | -69.9 | -21.7 | 0 | 0 | 0 | 112.6 | C74 H75 P82 | C74-N78 WeakPolarHBondContact O-CB 3.45Å; C74-N78 VanDerWaalsContact O-CG 3.22Å; C74-N78 PolarHBondContact O-N 3.09Å; C74-N78 PolarHBondContact O-ND2 3.21Å; H75-N78 PolarHBondContact O-N 3.37Å; N78-P82 WeakPolarHBondContact O-CD 3.49Å; N78-P82 WeakPolarHBondContact O-CG 3.2Å |
| 79 | L | 87.5 | Confident | 82.3 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.9 | -44.9 | 178.7 | -165.1 | 62.9 | 0 | 0 | 0 | 111.9 | H75 L76 D77 L83 A93 V108 | H75-L79 WeakPolarHBondContact O-CB 3.28Å; H75-L79 PolarHBondContact O-N 3.49Å; L76-L79 WeakPolarHBondContact O-CB 3.42Å; L76-L79 PolarHBondContact O-N 3.35Å; D77-L79 PolarHBondContact O-N 3.24Å; L79-L83 WeakPolarHBondContact O-CD1 3.33Å; L79-A93 HydrophobicContact CD1-CB 3.56Å; L79-A93 HydrophobicContact CD2-CB 3.95Å; L79-A93 HydrophobicContact CG-CB 3.79Å; L79-V108 HydrophobicContact CD2-CG1 4.44Å; L79-V108 HydrophobicContact CD2-CG2 3.5Å; L79-V108 HydrophobicContact CG-CG2 4.47Å |
| 80 | L | 87.1 | Confident | 80.8 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -82.7 | -36 | -174.8 | -68.5 | 174.7 | 0 | 0 | 0 | 112.7 | V27 I29 L76 D77 L83 L84 F95 F121 | V27-L80 HydrophobicContact CG1-CB 4.4Å; V27-L80 HydrophobicContact CG1-CD1 4.05Å; V27-L80 HydrophobicContact CG2-CD1 4.37Å; I29-L80 HydrophobicContact CD1-CD1 4.19Å; L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.97Å; D77-L80 PolarHBondContact O-N 3.35Å; L80-L83 WeakPolarHBondContact O-CB 3.46Å; L80-L83 PolarHBondContact O-N 2.96Å; L80-L84 HydrophobicContact CB-CD1 3.98Å; L80-L84 HydrophobicContact CB-CG 4.46Å; L80-L84 WeakPolarHBondContact O-CB 3.48Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.43Å; L80-F95 HydrophobicContact CD2-CE1 3.81Å; L80-F95 HydrophobicContact CD2-CZ 3.85Å; L80-F121 HydrophobicContact CD1-CZ 3.93Å |
| 81 | R | 83.6 | Confident | 79.5 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53 | -45.9 | -177.3 | -83.2 | -178.6 | -164.2 | -70.7 | -7 | 114.3 | D77 K85 | D77-R81 VanDerWaalsContact CG-CZ 3.49Å; D77-R81 VanDerWaalsContact O-CB 3.25Å; D77-R81 WeakPolarHBondContact O-CB 3.43Å; D77-R81 WeakPolarHBondContact O-CG 3.13Å; D77-R81 PolarHBondContact O-N 3.22Å; D77-R81 IonicContact OD1-CZ 2.87Å; D77-R81 IonicContact OD1-NE 3.45Å; D77-R81 PolarHBondContact OD1-NE 3.44Å; D77-R81 IonicContact OD1-NH2 3.53Å; D77-R81 PolarHBondContact OD1-NH2 3.34Å; D77-R81 IonicContact OD2-CZ 2.69Å; D77-R81 IonicContact OD2-NE 3.72Å; D77-R81 PolarHBondContact OD2-NE 3.45Å; D77-R81 IonicContact OD2-NH2 2.7Å; D77-R81 PolarHBondContact OD2-NH2 3.39Å; R81-K85 WeakPolarHBondContact O-CG 3.44Å; R81-K85 PolarHBondContact O-N 3.39Å |
| 82 | P | 80.1 | Confident | 78.7 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 178.6 | -21.2 | 33.8 | 0 | 0 | 0 | 111.6 | N78 L84 K85 D86 | N78-P82 WeakPolarHBondContact O-CD 3.49Å; N78-P82 WeakPolarHBondContact O-CG 3.2Å; P82-L84 VanDerWaalsContact C-N 3.28Å; P82-L84 PolarHBondContact O-N 3.38Å; P82-K85 PolarHBondContact O-N 2.88Å; P82-K85 VanDerWaalsContact O-N 3.1Å; P82-D86 PolarHBondContact O-N 3.19Å |
| 83 | L | 72.1 | Confident | 78.3 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 179.5 | -71.9 | 162.8 | 0 | 0 | 0 | 112.8 | L79 L80 K85 F95 | L79-L83 WeakPolarHBondContact O-CD1 3.33Å; L80-L83 WeakPolarHBondContact O-CB 3.46Å; L80-L83 PolarHBondContact O-N 2.96Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-F95 HydrophobicContact CD1-CD2 4.33Å; L83-F95 HydrophobicContact CD1-CE1 4.45Å; L83-F95 HydrophobicContact CD1-CE2 3.14Å; L83-F95 HydrophobicContact CD1-CZ 3.22Å; L83-F95 HydrophobicContact CD2-CE2 4.29Å; L83-F95 HydrophobicContact CG-CE2 4.34Å |
| 84 | L | 71.9 | Confident | 78 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -79.5 | -16.8 | -179.5 | -62 | 170.9 | 0 | 0 | 0 | 112.7 | A14 A25 V27 L80 P82 | A14-L84 VanDerWaalsContact CB-CA 3.49Å; A14-L84 HydrophobicContact CB-CB 3.69Å; A14-L84 HydrophobicContact CB-CD2 3.44Å; A14-L84 VanDerWaalsContact CB-CD2 3.44Å; A14-L84 HydrophobicContact CB-CG 4.14Å; A14-L84 WeakPolarHBondContact CB-O 3.47Å; A25-L84 HydrophobicContact CB-CD2 4.48Å; V27-L84 HydrophobicContact CB-CD1 4.45Å; V27-L84 HydrophobicContact CG1-CD1 3.37Å; L80-L84 HydrophobicContact CB-CD1 3.98Å; L80-L84 HydrophobicContact CB-CG 4.46Å; L80-L84 WeakPolarHBondContact O-CB 3.48Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.43Å; P82-L84 VanDerWaalsContact C-N 3.28Å; P82-L84 PolarHBondContact O-N 3.38Å |
| 85 | K | 73.1 | Confident | 77.9 | Confident | 177 Ų | 177 | 64.7 Ų | 64.7 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -94 | -39.2 | 177.9 | -77.7 | -177.2 | 177.2 | -174.1 | 0 | 112.6 | R81 P82 L83 | R81-K85 WeakPolarHBondContact O-CG 3.44Å; R81-K85 PolarHBondContact O-N 3.39Å; P82-K85 PolarHBondContact O-N 2.88Å; P82-K85 VanDerWaalsContact O-N 3.1Å; L83-K85 VanDerWaalsContact C-N 3.32Å |
| 86 | D | 69.6 | Low | 77.9 | Confident | 70 Ų | 70 | 65.9 Ų | 65.9 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | trans | -149.1 | 109.2 | 179 | -173 | -5.2 | 0 | 0 | 0 | 110.5 | P82 A88 H89 | P82-D86 PolarHBondContact O-N 3.19Å; D86-A88 PolarHBondContact O-N 3.3Å; D86-A88 VanDerWaalsContact O-N 3.16Å; D86-A88 WeakPolarHBondContact OD1-CB 3.5Å; D86-A88 PolarHBondContact OD1-N 3Å; D86-H89 WeakPolarHBondContact CB-ND1 3.42Å; D86-H89 PolarHBondContact O-N 3.27Å; D86-H89 IonicContact OD2-CE1 3.18Å; D86-H89 PolarHBondContact OD2-CE1 3.23Å; D86-H89 IonicContact OD2-ND1 2.74Å; D86-H89 PolarHBondContact OD2-ND1 3.13Å | ||
| 87 | A | 62.7 | Low | 77.9 | Confident | 49 Ų | 49 | 67 Ų | 67 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W15 | W15-A87 HydrophobicContact CE3-CB 3.55Å; W15-A87 HydrophobicContact CZ3-CB 3.8Å |
| 88 | A | 60.3 | Low | 77.9 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D86 | D86-A88 PolarHBondContact O-N 3.3Å; D86-A88 VanDerWaalsContact O-N 3.16Å; D86-A88 WeakPolarHBondContact OD1-CB 3.5Å; D86-A88 PolarHBondContact OD1-N 3Å |
| 89 | H | 61.5 | Low | 77.9 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 48% | 0.477 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -74.2 | 126.4 | 177.8 | -80.3 | 46.9 | 0 | 0 | 0 | 110.3 | D86 S91 | D86-H89 WeakPolarHBondContact CB-ND1 3.42Å; D86-H89 PolarHBondContact O-N 3.27Å; D86-H89 IonicContact OD2-CE1 3.18Å; D86-H89 PolarHBondContact OD2-CE1 3.23Å; D86-H89 IonicContact OD2-ND1 2.74Å; D86-H89 PolarHBondContact OD2-ND1 3.13Å; H89-S91 PolarHBondContact O-N 3.34Å |
| 90 | P | 59.6 | Low | 77.9 | Confident | 131 Ų | 131 | 71.7 Ų | 71.7 | 85% | 0.851 | 40% | 0.398 | S | S | * | . | trans | -64.9 | 104.2 | 174.9 | 25.5 | -30.7 | 0 | 0 | 0 | 108.4 | ||||
| 91 | S | 65.8 | Low | 77.9 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | trans | -85.4 | 142.2 | 174 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | H89 A93 | H89-S91 PolarHBondContact O-N 3.34Å; S91-A93 PolarHBondContact O-N 3.49Å; S91-A93 VanDerWaalsContact O-N 3.17Å; S91-A93 PolarHBondContact OG-N 3.4Å | ||
| 92 | E | 73.9 | Confident | 78.1 | Confident | 157 Ų | 157 | 75.6 Ų | 75.6 | 73% | 0.734 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -68 | -5.1 | 169.5 | -64.6 | 174.7 | 178.9 | 0 | 0 | 112 | ||
| 93 | A | 84.3 | Confident | 78.7 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 10% | 0.099 | 44% | 0.437 | C | S | . | . | trans | -93.1 | 135.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L79 S91 F95 V108 R109 | L79-A93 HydrophobicContact CD1-CB 3.56Å; L79-A93 HydrophobicContact CD2-CB 3.95Å; L79-A93 HydrophobicContact CG-CB 3.79Å; S91-A93 PolarHBondContact O-N 3.49Å; S91-A93 VanDerWaalsContact O-N 3.17Å; S91-A93 PolarHBondContact OG-N 3.4Å; A93-F95 HydrophobicContact CB-CD2 4.26Å; A93-F95 HydrophobicContact CB-CE2 3.44Å; A93-F95 VanDerWaalsContact CB-CE2 3.44Å; A93-F95 HydrophobicContact CB-CZ 3.89Å; A93-V108 HydrophobicContact CB-CG2 3.69Å; A93-R109 CarbonylContact C-O 3.55Å; A93-R109 VanDerWaalsContact CA-O 3.27Å; A93-R109 WeakPolarHBondContact CA-O 3.29Å | ||
| 94 | T | 88.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.7 | 162.5 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | R109 | T94-R109 PolarHBondContact N-O 2.97Å; T94-R109 PolarHBondContact O-N 3.12Å |
| 95 | F | 90 | Very high | 81 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 7% | 0.066 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 139.7 | 176.6 | -66.4 | -97.5 | 0 | 0 | 0 | 110.9 | L16 L18 L80 L83 A93 L106 R107 V108 | L16-F95 HydrophobicContact CD1-CD1 4.43Å; L16-F95 HydrophobicContact CD1-CD2 4.12Å; L16-F95 HydrophobicContact CD1-CE2 4.37Å; L16-F95 HydrophobicContact CD1-CG 4.19Å; L16-F95 HydrophobicContact CD2-CD1 4.01Å; L16-F95 HydrophobicContact CD2-CG 4.28Å; L18-F95 HydrophobicContact CD2-CB 3.36Å; L18-F95 HydrophobicContact CD2-CG 4.49Å; L80-F95 HydrophobicContact CD2-CE1 3.81Å; L80-F95 HydrophobicContact CD2-CZ 3.85Å; L83-F95 HydrophobicContact CD1-CD2 4.33Å; L83-F95 HydrophobicContact CD1-CE1 4.45Å; L83-F95 HydrophobicContact CD1-CE2 3.14Å; L83-F95 HydrophobicContact CD1-CZ 3.22Å; L83-F95 HydrophobicContact CD2-CE2 4.29Å; L83-F95 HydrophobicContact CG-CE2 4.34Å; A93-F95 HydrophobicContact CB-CD2 4.26Å; A93-F95 HydrophobicContact CB-CE2 3.44Å; A93-F95 VanDerWaalsContact CB-CE2 3.44Å; A93-F95 HydrophobicContact CB-CZ 3.89Å; F95-L106 HydrophobicContact CD1-CD1 4.48Å; F95-R107 WeakPolarHBondContact CA-O 3.35Å; F95-V108 HydrophobicContact CD1-CB 3.95Å; F95-V108 HydrophobicContact CD1-CG2 4.04Å; F95-V108 HydrophobicContact CE1-CB 3.68Å; F95-V108 HydrophobicContact CE1-CG2 3.5Å; F95-V108 HydrophobicContact CE2-CG2 4.06Å; F95-V108 HydrophobicContact CZ-CB 4.21Å; F95-V108 HydrophobicContact CZ-CG2 3.49Å; F95-V108 VanDerWaalsContact CZ-CG2 3.49Å |
| 96 | S | 91.4 | Very high | 82 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.7 | 169.5 | 73.7 | 0 | 0 | 0 | 0 | 109.7 | R107 | S96-R107 PolarHBondContact N-O 3.43Å; S96-R107 PolarHBondContact O-N 3.21Å |
| 97 | C | 92.4 | Very high | 83.2 | Confident | 24 Ų | 24 | 65 Ų | 65 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 130.2 | -174.9 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | L18 L104 I105 L106 | L18-C97 HydrophobicContact CD1-CB 3.65Å; C97-L104 WeakPolarHBondContact SG-CD1 3.49Å; C97-I105 WeakPolarHBondContact CA-O 3.18Å; C97-L106 HydrophobicContact CB-CD1 4.32Å |
| 98 | D | 91.4 | Very high | 84.6 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.2 | 173.8 | -56 | -44.6 | 0 | 0 | 0 | 109.7 | I105 R107 | D98-I105 PolarHBondContact N-O 3.41Å; D98-I105 PolarHBondContact O-N 2.91Å; D98-R107 IonicContact OD2-CZ 3.91Å; D98-R107 IonicContact OD2-NE 2.96Å; D98-R107 PolarHBondContact OD2-NE 2.86Å; D98-R107 IonicContact OD2-NH2 2.69Å; D98-R107 PolarHBondContact OD2-NH2 2.9Å |
| 99 | H | 89.3 | Confident | 86.2 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.9 | 168.4 | -70.8 | -100.9 | 0 | 0 | 0 | 109.6 | W45 L104 | W45-H99 AromaticContact CH2-CE1 3.67Å; W45-H99 AromaticContact CZ2-CE1 3.72Å; W45-H99 AromaticContact CZ2-ND1 3.96Å; H99-L104 WeakPolarHBondContact CE1-CD1 3.4Å; H99-L104 WeakPolarHBondContact NE2-CD1 3.45Å |
| 100 | V | 88.2 | Confident | 87.6 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 99.3 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | D102 A103 I105 | V100-D102 PolarHBondContact O-N 3.05Å; V100-A103 PolarHBondContact N-O 3.32Å; V100-A103 WeakPolarHBondContact O-CB 3.09Å; V100-A103 PolarHBondContact O-N 2.97Å; V100-I105 HydrophobicContact CG2-CD1 3.87Å; V100-I105 HydrophobicContact CG2-CG1 4.42Å |
| 101 | A | 87.4 | Confident | 89 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 81% | 0.81 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | -123.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A103 | A101-A103 VanDerWaalsContact C-N 3.29Š|
| 102 | D | 87.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1.6 | 179.3 | -60.3 | -26.1 | 0 | 0 | 0 | 113.3 | W45 V100 L125 | W45-D102 PolarHBondContact NE1-O 2.9Å; V100-D102 PolarHBondContact O-N 3.05Å; D102-L125 HydrophobicContact CB-CD1 3.94Å; D102-L125 HydrophobicContact CB-CG 4.24Å |
| 103 | A | 93 | Very high | 89.9 | Confident | 31 Ų | 31 | 59 Ų | 59 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V100 A101 C123 | V100-A103 PolarHBondContact N-O 3.32Å; V100-A103 WeakPolarHBondContact O-CB 3.09Å; V100-A103 PolarHBondContact O-N 2.97Å; A101-A103 VanDerWaalsContact C-N 3.29Å; A103-C123 CarbonylContact C-O 3.45Å; A103-C123 WeakPolarHBondContact CA-O 3.46Å |
| 104 | L | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.2 | 174.1 | -170 | 84.3 | 0 | 0 | 0 | 108.9 | L23 V38 W45 C97 H99 C123 | L23-L104 HydrophobicContact CD1-CD2 4.3Å; V38-L104 HydrophobicContact CB-CD2 4.11Å; V38-L104 HydrophobicContact CG1-CD2 3.68Å; W45-L104 HydrophobicContact CB-CB 4.19Å; W45-L104 HydrophobicContact CB-CD2 4.45Å; W45-L104 HydrophobicContact CD2-CB 3.78Å; W45-L104 HydrophobicContact CD2-CD1 4.39Å; W45-L104 HydrophobicContact CD2-CD2 4.02Å; W45-L104 HydrophobicContact CD2-CG 4.3Å; W45-L104 HydrophobicContact CE3-CB 4.44Å; W45-L104 HydrophobicContact CE3-CD1 4.43Å; W45-L104 HydrophobicContact CE3-CD2 3.84Å; W45-L104 HydrophobicContact CE3-CG 4.48Å; W45-L104 HydrophobicContact CG-CB 3.64Å; W45-L104 HydrophobicContact CG-CD2 4.3Å; W45-L104 HydrophobicContact CH2-CD1 4.31Å; W45-L104 HydrophobicContact CZ2-CD1 4.3Å; W45-L104 HydrophobicContact CZ3-CD1 4.39Å; W45-L104 HydrophobicContact CZ3-CD2 4.38Å; C97-L104 WeakPolarHBondContact SG-CD1 3.49Å; H99-L104 WeakPolarHBondContact CE1-CD1 3.4Å; H99-L104 WeakPolarHBondContact NE2-CD1 3.45Å; L104-C123 HydrophobicContact CB-CB 4.25Å; L104-C123 PolarHBondContact N-O 2.9Å; L104-C123 PolarHBondContact O-N 3.16Å |
| 105 | I | 95.8 | Very high | 89.7 | Confident | 26 Ų | 26 | 60 Ų | 60 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 104.1 | 173.5 | -54.2 | 179.3 | 0 | 0 | 0 | 108.6 | C97 D98 V100 R107 N120 F121 | C97-I105 WeakPolarHBondContact CA-O 3.18Å; D98-I105 PolarHBondContact N-O 3.41Å; D98-I105 PolarHBondContact O-N 2.91Å; V100-I105 HydrophobicContact CG2-CD1 3.87Å; V100-I105 HydrophobicContact CG2-CG1 4.42Å; I105-R107 HydrophobicContact CG2-CG 4.14Å; I105-N120 HydrophobicContact CG2-CB 4.14Å; I105-F121 CarbonylContact C-O 3.6Å; I105-F121 VanDerWaalsContact CA-O 3.29Å; I105-F121 WeakPolarHBondContact CA-O 3.34Å |
| 106 | L | 94.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.8 | 173.9 | -178.8 | 70.4 | 0 | 0 | 0 | 108.8 | L16 L18 L23 F95 C97 N120 F121 | L16-L106 HydrophobicContact CD2-CD1 4.25Å; L16-L106 HydrophobicContact CD2-CD2 4.21Å; L18-L106 HydrophobicContact CD2-CD1 3.95Å; L23-L106 HydrophobicContact CD1-CD1 4.31Å; F95-L106 HydrophobicContact CD1-CD1 4.48Å; C97-L106 HydrophobicContact CB-CD1 4.32Å; L106-N120 CarbonylContact O-C 3.54Å; L106-N120 WeakPolarHBondContact O-CA 3.45Å; L106-F121 HydrophobicContact CB-CB 4.15Å; L106-F121 HydrophobicContact CB-CD2 4.17Å; L106-F121 HydrophobicContact CD2-CD2 4.03Å; L106-F121 HydrophobicContact CG-CD2 4.16Å; L106-F121 PolarHBondContact N-O 2.94Å; L106-F121 WeakPolarHBondContact O-CD2 3.15Å; L106-F121 PolarHBondContact O-N 2.96Å |
| 107 | R | 94.5 | Very high | 89.8 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.3 | -179.6 | -49.4 | -172.7 | -175.4 | -84.3 | -3.4 | 109.8 | F95 S96 D98 I105 W119 N120 | F95-R107 WeakPolarHBondContact CA-O 3.35Å; S96-R107 PolarHBondContact N-O 3.43Å; S96-R107 PolarHBondContact O-N 3.21Å; D98-R107 IonicContact OD2-CZ 3.91Å; D98-R107 IonicContact OD2-NE 2.96Å; D98-R107 PolarHBondContact OD2-NE 2.86Å; D98-R107 IonicContact OD2-NH2 2.69Å; D98-R107 PolarHBondContact OD2-NH2 2.9Å; I105-R107 HydrophobicContact CG2-CG 4.14Å; R107-W119 WeakPolarHBondContact CA-O 3.36Å; R107-N120 WeakPolarHBondContact CG-OD1 3.42Å; R107-N120 PolarHBondContact NH1-ND2 3.4Å; R107-N120 VanDerWaalsContact NH1-ND2 3.19Å; R107-N120 PolarHBondContact NH1-OD1 2.77Å |
| 108 | V | 92.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.3 | 170.5 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | L76 L79 A93 F95 W119 F121 | L76-V108 HydrophobicContact CD2-CG1 4.46Å; L79-V108 HydrophobicContact CD2-CG1 4.44Å; L79-V108 HydrophobicContact CD2-CG2 3.5Å; L79-V108 HydrophobicContact CG-CG2 4.47Å; A93-V108 HydrophobicContact CB-CG2 3.69Å; F95-V108 HydrophobicContact CD1-CB 3.95Å; F95-V108 HydrophobicContact CD1-CG2 4.04Å; F95-V108 HydrophobicContact CE1-CB 3.68Å; F95-V108 HydrophobicContact CE1-CG2 3.5Å; F95-V108 HydrophobicContact CE2-CG2 4.06Å; F95-V108 HydrophobicContact CZ-CB 4.21Å; F95-V108 HydrophobicContact CZ-CG2 3.49Å; F95-V108 VanDerWaalsContact CZ-CG2 3.49Å; V108-W119 HydrophobicContact CG1-CB 3.56Å; V108-W119 HydrophobicContact CG1-CG 4.33Å; V108-W119 PolarHBondContact N-O 2.73Å; V108-W119 PolarHBondContact O-N 3.08Å; V108-F121 HydrophobicContact CG1-CE2 4.01Å |
| 109 | R | 92.6 | Very high | 90.2 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.4 | 172.6 | 179.3 | -177.6 | -177.5 | -165 | -3.7 | 107.8 | A93 T94 F117 Y118 | A93-R109 CarbonylContact C-O 3.55Å; A93-R109 VanDerWaalsContact CA-O 3.27Å; A93-R109 WeakPolarHBondContact CA-O 3.29Å; T94-R109 PolarHBondContact N-O 2.97Å; T94-R109 PolarHBondContact O-N 3.12Å; R109-F117 WeakPolarHBondContact CA-O 3.34Å; R109-Y118 HydrophobicContact CB-CD1 4.25Å; R109-Y118 HydrophobicContact CB-CE1 4.33Å; R109-Y118 HydrophobicContact CG-CD1 3.97Å; R109-Y118 HydrophobicContact CG-CE1 3.62Å |
| 110 | S | 91.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | -173.3 | 174.1 | 67 | 0 | 0 | 0 | 0 | 110.9 | H75 F117 | H75-S110 PolarHBondContact NE2-OG 2.78Å; S110-F117 PolarHBondContact N-O 3.46Å; S110-F117 PolarHBondContact O-N 2.97Å; S110-F117 WeakPolarHBondContact OG-CD1 3.41Å |
| 111 | E | 87.7 | Confident | 90.9 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.8 | 170.6 | -163.2 | 179.5 | 124.5 | 0 | 0 | 109.9 | G114 L115 | E111-G114 WeakPolarHBondContact OE1-CA 3.45Å; E111-G114 PolarHBondContact OE1-N 2.78Å; E111-G114 VanDerWaalsContact OE1-N 3.09Å; E111-L115 CarbonylContact C-O 3.59Å; E111-L115 WeakPolarHBondContact CA-O 3.43Å |
| 112 | L | 82 | Confident | 91.3 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 104 | 171.3 | 177.6 | 55.7 | 0 | 0 | 0 | 108.2 | L65 G114 L115 F117 | L65-L112 HydrophobicContact CD1-CD2 4.48Å; L112-G114 PolarHBondContact O-N 2.8Å; L112-L115 PolarHBondContact N-O 3.48Å; L112-L115 WeakPolarHBondContact O-CB 3.26Å; L112-L115 PolarHBondContact O-N 2.99Å; L112-L115 VanDerWaalsContact O-N 3.09Å; L112-F117 HydrophobicContact CB-CB 4.12Å; L112-F117 HydrophobicContact CD2-CD2 4.49Å |
| 113 | S | 77.3 | Confident | 91.7 | Very high | 121 Ų | 121 | 46.2 Ų | 46.2 | 85% | 0.846 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 48 | 178.4 | -54 | 0 | 0 | 0 | 0 | 114.1 | L115 | S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.26Å |
| 114 | G | 82.4 | Confident | 91.9 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | E111 L112 | E111-G114 WeakPolarHBondContact OE1-CA 3.45Å; E111-G114 PolarHBondContact OE1-N 2.78Å; E111-G114 VanDerWaalsContact OE1-N 3.09Å; L112-G114 PolarHBondContact O-N 2.8Å |
| 115 | L | 86.3 | Confident | 92 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.6 | -176.3 | -64.1 | 175 | 0 | 0 | 0 | 111.5 | L65 E111 L112 S113 F117 | L65-L115 HydrophobicContact CD2-CB 4.2Å; L65-L115 HydrophobicContact CD2-CD1 3.56Å; E111-L115 CarbonylContact C-O 3.59Å; E111-L115 WeakPolarHBondContact CA-O 3.43Å; L112-L115 PolarHBondContact N-O 3.48Å; L112-L115 WeakPolarHBondContact O-CB 3.26Å; L112-L115 PolarHBondContact O-N 2.99Å; L112-L115 VanDerWaalsContact O-N 3.09Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.26Å; L115-F117 PolarHBondContact O-N 2.81Å |
| 116 | P | 90.9 | Very high | 92.1 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 127.8 | 172.5 | -24.3 | 34.1 | 0 | 0 | 0 | 111.5 | Y118 | P116-Y118 HydrophobicContact CB-CD2 4.5Å; P116-Y118 HydrophobicContact CB-CE2 3.57Å |
| 117 | F | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.9 | 175.1 | 178.9 | -98.5 | 0 | 0 | 0 | 110 | L65 F72 H75 L76 R109 S110 L112 L115 W119 | L65-F117 HydrophobicContact CD1-CD2 3.87Å; F72-F117 HydrophobicContact CD1-CD2 4.41Å; F72-F117 AromaticContact CD1-CE2 3.5Å; F72-F117 HydrophobicContact CD1-CE2 3.5Å; F72-F117 VanDerWaalsContact CD1-CE2 3.5Å; F72-F117 HydrophobicContact CD1-CZ 4.21Å; F72-F117 HydrophobicContact CE1-CD2 4.29Å; F72-F117 AromaticContact CE1-CE2 3.7Å; F72-F117 HydrophobicContact CE1-CE2 3.7Å; H75-F117 AromaticContact CD2-CD1 3.61Å; H75-F117 AromaticContact CD2-CE1 3.7Å; H75-F117 AromaticContact CD2-CG 3.78Å; H75-F117 AromaticContact CD2-CZ 3.98Å; H75-F117 AromaticContact NE2-CD1 3.7Å; H75-F117 AromaticContact NE2-CG 3.82Å; L76-F117 HydrophobicContact CD2-CE1 3.79Å; L76-F117 HydrophobicContact CD2-CZ 4.08Å; L76-F117 HydrophobicContact CG-CZ 4.41Å; R109-F117 WeakPolarHBondContact CA-O 3.34Å; S110-F117 PolarHBondContact N-O 3.46Å; S110-F117 PolarHBondContact O-N 2.97Å; S110-F117 WeakPolarHBondContact OG-CD1 3.41Å; L112-F117 HydrophobicContact CB-CB 4.12Å; L112-F117 HydrophobicContact CD2-CD2 4.49Å; L115-F117 PolarHBondContact O-N 2.81Å; F117-W119 HydrophobicContact CE1-CB 3.88Å; F117-W119 HydrophobicContact CZ-CB 4.12Å; F117-W119 HydrophobicContact CZ-CE3 4.46Å |
| 118 | Y | 94.6 | Very high | 92.3 | Very high | 89 Ų | 89 | 57 Ų | 57 | 35% | 0.349 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.3 | -179.9 | -58 | -85 | 0 | 0 | 0 | 110.9 | N62 R109 P116 | N62-Y118 PolarHBondContact ND2-O 3.29Å; N62-Y118 PolarHBondContact OD1-N 3.41Å; R109-Y118 HydrophobicContact CB-CD1 4.25Å; R109-Y118 HydrophobicContact CB-CE1 4.33Å; R109-Y118 HydrophobicContact CG-CD1 3.97Å; R109-Y118 HydrophobicContact CG-CE1 3.62Å; P116-Y118 HydrophobicContact CB-CD2 4.5Å; P116-Y118 HydrophobicContact CB-CE2 3.57Å |
| 119 | W | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.8 | 171.8 | -174.1 | -94.3 | 0 | 0 | 0 | 111.4 | Y34 V54 R57 A58 L76 R107 V108 F117 F121 | Y34-W119 AromaticContact CE1-CZ2 3.65Å; Y34-W119 HydrophobicContact CE1-CZ2 3.65Å; Y34-W119 AromaticContact CZ-NE1 3.96Å; Y34-W119 WeakPolarHBondContact OH-CZ2 3.12Å; Y34-W119 PolarHBondContact OH-NE1 3.21Å; V54-W119 HydrophobicContact CB-CH2 4.17Å; V54-W119 HydrophobicContact CG1-CH2 3.98Å; V54-W119 HydrophobicContact CG1-CZ3 4.38Å; V54-W119 HydrophobicContact CG2-CH2 4.04Å; V54-W119 HydrophobicContact CG2-CZ2 4.44Å; R57-W119 HydrophobicContact CB-CH2 4.05Å; R57-W119 HydrophobicContact CB-CZ3 4.15Å; R57-W119 HydrophobicContact CG-CH2 4.23Å; R57-W119 HydrophobicContact CG-CZ3 4.2Å; A58-W119 HydrophobicContact CB-CZ3 4.21Å; L76-W119 HydrophobicContact CD1-CD2 3.86Å; L76-W119 HydrophobicContact CD1-CE3 4.34Å; L76-W119 HydrophobicContact CD1-CG 4.17Å; L76-W119 HydrophobicContact CD1-CZ2 4.15Å; L76-W119 HydrophobicContact CD2-CB 3.9Å; L76-W119 HydrophobicContact CD2-CD2 4.25Å; L76-W119 HydrophobicContact CD2-CG 3.74Å; R107-W119 WeakPolarHBondContact CA-O 3.36Å; V108-W119 HydrophobicContact CG1-CB 3.56Å; V108-W119 HydrophobicContact CG1-CG 4.33Å; V108-W119 PolarHBondContact N-O 2.73Å; V108-W119 PolarHBondContact O-N 3.08Å; F117-W119 HydrophobicContact CE1-CB 3.88Å; F117-W119 HydrophobicContact CZ-CB 4.12Å; F117-W119 HydrophobicContact CZ-CE3 4.46Å; W119-F121 AromaticContact CD1-CD1 3.91Å; W119-F121 AromaticContact CD1-CD2 3.83Å; W119-F121 AromaticContact CD1-CE1 3.63Å; W119-F121 AromaticContact CD1-CE2 3.54Å; W119-F121 AromaticContact CD1-CG 3.99Å; W119-F121 AromaticContact CD1-CZ 3.41Å; W119-F121 VanDerWaalsContact CD1-CZ 3.41Å; W119-F121 AromaticContact NE1-CD1 3.51Å; W119-F121 AromaticContact NE1-CE1 3.35Å; W119-F121 AromaticContact NE1-CG 3.95Å; W119-F121 AromaticContact NE1-CZ 3.67Å |
| 120 | N | 96.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.6 | 175.8 | -59.5 | -33.2 | 0 | 0 | 0 | 108.2 | R57 L61 I105 L106 R107 H122 | R57-N120 VanDerWaalsContact CD-O 3.32Å; R57-N120 WeakPolarHBondContact CD-O 3.44Å; R57-N120 PolarHBondContact NH1-O 3.26Å; L61-N120 HydrophobicContact CD1-CB 4.23Å; L61-N120 WeakPolarHBondContact CD2-ND2 3.34Å; I105-N120 HydrophobicContact CG2-CB 4.14Å; L106-N120 CarbonylContact O-C 3.54Å; L106-N120 WeakPolarHBondContact O-CA 3.45Å; R107-N120 WeakPolarHBondContact CG-OD1 3.42Å; R107-N120 PolarHBondContact NH1-ND2 3.4Å; R107-N120 VanDerWaalsContact NH1-ND2 3.19Å; R107-N120 PolarHBondContact NH1-OD1 2.77Å; N120-H122 PolarHBondContact O-ND1 3.06Å |
| 121 | F | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125 | 167.1 | -56.7 | -85.5 | 0 | 0 | 0 | 108.3 | Y34 L36 E47 L76 L80 I105 L106 V108 W119 | Y34-F121 HydrophobicContact CE1-CD1 4.43Å; Y34-F121 HydrophobicContact CE1-CE1 4.09Å; Y34-F121 AromaticContact CE2-CD1 3.77Å; Y34-F121 HydrophobicContact CE2-CD1 3.77Å; Y34-F121 AromaticContact CE2-CE1 3.98Å; Y34-F121 HydrophobicContact CE2-CE1 3.98Å; Y34-F121 AromaticContact CZ-CD1 3.59Å; Y34-F121 AromaticContact CZ-CE1 3.68Å; Y34-F121 VanDerWaalsContact OH-CD1 3.29Å; Y34-F121 WeakPolarHBondContact OH-CD1 3.5Å; L36-F121 HydrophobicContact CD2-CB 3.72Å; L36-F121 HydrophobicContact CD2-CD1 3.44Å; L36-F121 VanDerWaalsContact CD2-CD1 3.44Å; L36-F121 HydrophobicContact CD2-CD2 4.32Å; L36-F121 HydrophobicContact CD2-CE1 4.13Å; L36-F121 HydrophobicContact CD2-CG 3.57Å; E47-F121 VanDerWaalsContact OE2-CA 3.24Å; E47-F121 WeakPolarHBondContact OE2-CA 3.34Å; E47-F121 WeakPolarHBondContact OE2-CB 3.48Å; E47-F121 WeakPolarHBondContact OE2-CD1 3.46Å; L76-F121 HydrophobicContact CD2-CZ 4.36Å; L80-F121 HydrophobicContact CD1-CZ 3.93Å; I105-F121 CarbonylContact C-O 3.6Å; I105-F121 VanDerWaalsContact CA-O 3.29Å; I105-F121 WeakPolarHBondContact CA-O 3.34Å; L106-F121 HydrophobicContact CB-CB 4.15Å; L106-F121 HydrophobicContact CB-CD2 4.17Å; L106-F121 HydrophobicContact CD2-CD2 4.03Å; L106-F121 HydrophobicContact CG-CD2 4.16Å; L106-F121 PolarHBondContact N-O 2.94Å; L106-F121 WeakPolarHBondContact O-CD2 3.15Å; L106-F121 PolarHBondContact O-N 2.96Å; V108-F121 HydrophobicContact CG1-CE2 4.01Å; W119-F121 AromaticContact CD1-CD1 3.91Å; W119-F121 AromaticContact CD1-CD2 3.83Å; W119-F121 AromaticContact CD1-CE1 3.63Å; W119-F121 AromaticContact CD1-CE2 3.54Å; W119-F121 AromaticContact CD1-CG 3.99Å; W119-F121 AromaticContact CD1-CZ 3.41Å; W119-F121 VanDerWaalsContact CD1-CZ 3.41Å; W119-F121 AromaticContact NE1-CD1 3.51Å; W119-F121 AromaticContact NE1-CE1 3.35Å; W119-F121 AromaticContact NE1-CG 3.95Å; W119-F121 AromaticContact NE1-CZ 3.67Å |
| 122 | H | 96.5 | Very high | 93.4 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.366 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 88.6 | -179.7 | -59.3 | 82.7 | 0 | 0 | 0 | 108.3 | E47 N120 | E47-H122 WeakPolarHBondContact CG-O 3.48Å; E47-H122 PolarHBondContact OE1-N 2.96Å; E47-H122 PolarHBondContact OE2-N 3.45Å; N120-H122 PolarHBondContact O-ND1 3.06Å |
| 123 | C | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.5 | -174.8 | -46.9 | 0 | 0 | 0 | 0 | 110.4 | W45 H46 E47 A103 L104 | W45-C123 HydrophobicContact CB-CB 3.5Å; W45-C123 VanDerWaalsContact CB-CB 3.5Å; W45-C123 HydrophobicContact CG-CB 4.42Å; H46-C123 WeakPolarHBondContact O-CA 3.37Å; E47-C123 HydrophobicContact CB-CB 4.36Å; A103-C123 CarbonylContact C-O 3.45Å; A103-C123 WeakPolarHBondContact CA-O 3.46Å; L104-C123 HydrophobicContact CB-CB 4.25Å; L104-C123 PolarHBondContact N-O 2.9Å; L104-C123 PolarHBondContact O-N 3.16Å |
| 124 | I | 96.6 | Very high | 95.1 | Very high | 112 Ų | 112 | 48.2 Ų | 48.2 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 165.3 | 172.9 | 59.7 | 170.5 | 0 | 0 | 0 | 109.4 | W45 H46 A126 | W45-I124 CarbonylContact C-O 3.59Å; W45-I124 WeakPolarHBondContact CA-O 3.46Å; W45-I124 WeakPolarHBondContact CB-O 3.38Å; H46-I124 PolarHBondContact N-O 3.49Å; H46-I124 PolarHBondContact O-N 3.42Å; I124-A126 PolarHBondContact O-N 2.87Å |
| 125 | L | 97.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 40% | 0.398 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 128.6 | 175 | -69.6 | 175.3 | 0 | 0 | 0 | 111.3 | Q43 D102 | Q43-L125 HydrophobicContact CB-CD2 4.47Å; D102-L125 HydrophobicContact CB-CD1 3.94Å; D102-L125 HydrophobicContact CB-CG 4.24Å |
| 126 | A | 97.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 12% | 0.116 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 141.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L37 V44 H46 I124 L130 V131 | L37-A126 HydrophobicContact CD1-CB 4.12Å; V44-A126 HydrophobicContact CB-CB 3.95Å; V44-A126 HydrophobicContact CG1-CB 3.66Å; V44-A126 WeakPolarHBondContact O-CB 3.33Å; V44-A126 PolarHBondContact O-N 2.84Å; H46-A126 HydrophobicContact CB-CB 3.97Å; I124-A126 PolarHBondContact O-N 2.87Å; A126-L130 HydrophobicContact CB-CB 4.44Å; A126-V131 HydrophobicContact CB-CG2 4.14Å |
| 127 | S | 97 | Very high | 96.7 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 150.7 | 176.4 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | S129 L130 V131 | S127-S129 PolarHBondContact O-N 2.8Å; S127-S129 VanDerWaalsContact O-N 3.09Å; S127-L130 PolarHBondContact O-N 3.43Å; S127-L130 WeakPolarHBondContact OG-CG 3.43Å; S127-L130 PolarHBondContact OG-N 2.81Å; S127-V131 PolarHBondContact O-N 3.23Å; S127-V131 VanDerWaalsContact O-N 3.09Å |
| 128 | P | 97.6 | Very high | 96.9 | Very high | 112 Ų | 112 | 51 Ų | 51 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55.7 | -30.4 | 176.6 | -27.3 | 35.2 | 0 | 0 | 0 | 113.6 | S132 | P128-S132 VanDerWaalsContact O-CB 3.32Å; P128-S132 WeakPolarHBondContact O-CB 3.28Å; P128-S132 PolarHBondContact O-N 3.03Å |
| 129 | S | 96.6 | Very high | 97.1 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 174.7 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | S127 S132 Q133 | S127-S129 PolarHBondContact O-N 2.8Å; S127-S129 VanDerWaalsContact O-N 3.09Å; S129-S132 WeakPolarHBondContact O-CB 3.2Å; S129-S132 PolarHBondContact O-N 2.93Å; S129-Q133 WeakPolarHBondContact O-CB 3.41Å; S129-Q133 WeakPolarHBondContact O-CG 3.47Å; S129-Q133 PolarHBondContact O-N 3Å |
| 130 | L | 96.2 | Very high | 97.2 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.7 | -71.2 | 174 | 0 | 0 | 0 | 111.4 | H46 A126 S127 S132 Q133 H134 | H46-L130 HydrophobicContact CB-CD1 4.13Å; A126-L130 HydrophobicContact CB-CB 4.44Å; S127-L130 PolarHBondContact O-N 3.43Å; S127-L130 WeakPolarHBondContact OG-CG 3.43Å; S127-L130 PolarHBondContact OG-N 2.81Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 2.81Å; L130-Q133 PolarHBondContact O-N 2.86Å; L130-H134 VanDerWaalsContact O-CB 3.26Å; L130-H134 WeakPolarHBondContact O-CB 3.41Å; L130-H134 PolarHBondContact O-CD2 2.98Å; L130-H134 PolarHBondContact O-N 3.34Å |
| 131 | V | 97.9 | Very high | 97.3 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | V44 A126 S127 L135 I136 | V44-V131 HydrophobicContact CB-CG2 3.98Å; V44-V131 HydrophobicContact CG1-CG2 4.37Å; V44-V131 HydrophobicContact CG2-CG2 4.06Å; A126-V131 HydrophobicContact CB-CG2 4.14Å; S127-V131 PolarHBondContact O-N 3.23Å; S127-V131 VanDerWaalsContact O-N 3.09Å; V131-L135 HydrophobicContact CG1-CD1 4.48Å; V131-L135 WeakPolarHBondContact O-CB 3.28Å; V131-L135 PolarHBondContact O-N 3.12Å; V131-I136 HydrophobicContact CG1-CD1 4.12Å; V131-I136 HydrophobicContact CG1-CG1 4.33Å; V131-I136 PolarHBondContact O-N 3.21Å |
| 132 | S | 97.5 | Very high | 97.4 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -61.7 | -48.3 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | P128 S129 L130 I136 R137 | P128-S132 VanDerWaalsContact O-CB 3.32Å; P128-S132 WeakPolarHBondContact O-CB 3.28Å; P128-S132 PolarHBondContact O-N 3.03Å; S129-S132 WeakPolarHBondContact O-CB 3.2Å; S129-S132 PolarHBondContact O-N 2.93Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 2.81Å; S132-I136 PolarHBondContact O-N 2.91Å; S132-R137 WeakPolarHBondContact O-CG 3.27Å; S132-R137 PolarHBondContact O-N 3.33Å |
| 133 | Q | 96.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -72 | -32.2 | -176.9 | -71.2 | 178.4 | -8 | 0 | 0 | 113.7 | L9 S129 L130 P138 | L9-Q133 HydrophobicContact CD1-CB 4.47Å; L9-Q133 WeakPolarHBondContact CD1-O 3.17Å; S129-Q133 WeakPolarHBondContact O-CB 3.41Å; S129-Q133 WeakPolarHBondContact O-CG 3.47Å; S129-Q133 PolarHBondContact O-N 3Å; L130-Q133 PolarHBondContact O-N 2.86Å; Q133-P138 WeakPolarHBondContact O-CD 3.01Å; Q133-P138 VanDerWaalsContact O-CG 3.26Å; Q133-P138 WeakPolarHBondContact O-CG 3.21Å |
| 134 | H | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -100.9 | -17 | -173.6 | -64.1 | -48.2 | 0 | 0 | 0 | 114.7 | L9 W13 K26 L37 L130 Y218 | L9-H134 WeakPolarHBondContact CD1-ND1 3.17Å; W13-H134 HydrophobicContact CZ2-CB 4.38Å; W13-H134 PolarHBondContact NE1-O 3.31Å; K26-H134 PolarHBondContact NZ-ND1 3.17Å; L37-H134 HydrophobicContact CD2-CB 3.67Å; L37-H134 VanDerWaalsContact CD2-CD2 3.47Å; L37-H134 WeakPolarHBondContact CD2-CD2 3.26Å; L130-H134 VanDerWaalsContact O-CB 3.26Å; L130-H134 WeakPolarHBondContact O-CB 3.41Å; L130-H134 PolarHBondContact O-CD2 2.98Å; L130-H134 PolarHBondContact O-N 3.34Å; H134-Y218 WeakPolarHBondContact O-CE2 3.43Å; H134-Y218 PolarHBondContact O-OH 3.19Å |
| 135 | L | 97.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -129 | -63.7 | -179.2 | -67.8 | 171.4 | 0 | 0 | 0 | 111.7 | W13 V44 V131 P138 L139 | W13-L135 HydrophobicContact CH2-CD2 4.23Å; W13-L135 HydrophobicContact CZ2-CD1 4.32Å; W13-L135 HydrophobicContact CZ2-CD2 3.42Å; W13-L135 VanDerWaalsContact CZ2-CD2 3.42Å; W13-L135 HydrophobicContact CZ2-CG 3.78Å; V44-L135 HydrophobicContact CG2-CD1 3.66Å; V131-L135 HydrophobicContact CG1-CD1 4.48Å; V131-L135 WeakPolarHBondContact O-CB 3.28Å; V131-L135 PolarHBondContact O-N 3.12Å; L135-P138 WeakPolarHBondContact O-CD 3.35Å; L135-L139 HydrophobicContact CB-CD1 4.37Å; L135-L139 HydrophobicContact CD2-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.04Å; L135-L139 WeakPolarHBondContact O-CD1 3.32Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.22Å |
| 136 | I | 98 | Very high | 97.6 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -63 | -54.3 | -165.7 | -58.2 | 171.5 | 0 | 0 | 0 | 111.9 | V131 S132 M140 | V131-I136 HydrophobicContact CG1-CD1 4.12Å; V131-I136 HydrophobicContact CG1-CG1 4.33Å; V131-I136 PolarHBondContact O-N 3.21Å; S132-I136 PolarHBondContact O-N 2.91Å; I136-M140 WeakPolarHBondContact O-CB 3.34Å; I136-M140 PolarHBondContact O-N 3.19Å |
| 137 | R | 97.6 | Very high | 97.7 | Very high | 139 Ų | 139 | 60.7 Ų | 60.7 | 53% | 0.525 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | -177.3 | -58.8 | 167 | 59.2 | 111.5 | 5.6 | 111.9 | S132 L139 M140 G141 E225 | S132-R137 WeakPolarHBondContact O-CG 3.27Å; S132-R137 PolarHBondContact O-N 3.33Å; R137-L139 PolarHBondContact O-N 2.95Å; R137-M140 PolarHBondContact O-N 2.96Å; R137-G141 PolarHBondContact O-N 3.35Å; R137-E225 VanDerWaalsContact C-OE1 3.23Å; R137-E225 WeakPolarHBondContact CB-OE2 3.45Å; R137-E225 IonicContact CZ-OE2 2.86Å; R137-E225 IonicContact NE-OE2 2.81Å; R137-E225 PolarHBondContact NE-OE2 3.1Å; R137-E225 IonicContact NH2-OE2 3.19Å |
| 138 | P | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.8 | -25.9 | 36.5 | 0 | 0 | 0 | 112.9 | Q133 L135 M140 G141 M142 Y218 V221 T222 | Q133-P138 WeakPolarHBondContact O-CD 3.01Å; Q133-P138 VanDerWaalsContact O-CG 3.26Å; Q133-P138 WeakPolarHBondContact O-CG 3.21Å; L135-P138 WeakPolarHBondContact O-CD 3.35Å; P138-M140 VanDerWaalsContact C-N 3.32Å; P138-M140 PolarHBondContact O-N 3.27Å; P138-G141 PolarHBondContact O-N 2.89Å; P138-M142 WeakPolarHBondContact O-CB 3.33Å; P138-M142 WeakPolarHBondContact O-CG 3.45Å; P138-M142 PolarHBondContact O-N 2.84Å; P138-Y218 HydrophobicContact CB-CD2 3.9Å; P138-Y218 HydrophobicContact CB-CE2 3.71Å; P138-Y218 HydrophobicContact CG-CE2 4.17Å; P138-V221 HydrophobicContact CB-CG1 4.44Å; P138-T222 HydrophobicContact CB-CG2 3.84Å; P138-T222 HydrophobicContact CG-CG2 3.68Å |
| 139 | L | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 179.8 | -70.2 | 171.3 | 0 | 0 | 0 | 112.1 | L135 R137 M142 S143 F210 | L135-L139 HydrophobicContact CB-CD1 4.37Å; L135-L139 HydrophobicContact CD2-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.04Å; L135-L139 WeakPolarHBondContact O-CD1 3.32Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.22Å; R137-L139 PolarHBondContact O-N 2.95Å; L139-M142 HydrophobicContact CD2-SD 4.07Å; L139-M142 PolarHBondContact O-N 2.86Å; L139-S143 WeakPolarHBondContact O-CB 3.38Å; L139-S143 PolarHBondContact O-N 2.99Å; L139-S143 PolarHBondContact O-OG 3.42Å; L139-F210 HydrophobicContact CD2-CD2 4.35Å; L139-F210 HydrophobicContact CD2-CE2 3.7Å; L139-F210 HydrophobicContact CD2-CZ 4.24Å |
| 140 | M | 98.4 | Very high | 97.8 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | 173.1 | -172.7 | 178.7 | -63.8 | 0 | 0 | 111.3 | I136 R137 P138 M142 S143 L144 | I136-M140 WeakPolarHBondContact O-CB 3.34Å; I136-M140 PolarHBondContact O-N 3.19Å; R137-M140 PolarHBondContact O-N 2.96Å; P138-M140 VanDerWaalsContact C-N 3.32Å; P138-M140 PolarHBondContact O-N 3.27Å; M140-M142 VanDerWaalsContact C-N 3.35Å; M140-M142 PolarHBondContact O-N 2.8Å; M140-S143 PolarHBondContact O-N 3.21Å; M140-L144 WeakPolarHBondContact O-CG 3.36Å; M140-L144 PolarHBondContact O-N 3.04Å |
| 141 | G | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 22% | 0.216 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | R137 P138 L144 A145 | R137-G141 PolarHBondContact O-N 3.35Å; P138-G141 PolarHBondContact O-N 2.89Å; G141-L144 PolarHBondContact O-N 2.81Å; G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 2.69Å |
| 142 | M | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.5 | -68.1 | 167.1 | 66.6 | 0 | 0 | 111.6 | P138 L139 M140 L144 A145 L146 F210 L214 L217 Y218 V221 | P138-M142 WeakPolarHBondContact O-CB 3.33Å; P138-M142 WeakPolarHBondContact O-CG 3.45Å; P138-M142 PolarHBondContact O-N 2.84Å; L139-M142 HydrophobicContact CD2-SD 4.07Å; L139-M142 PolarHBondContact O-N 2.86Å; M140-M142 VanDerWaalsContact C-N 3.35Å; M140-M142 PolarHBondContact O-N 2.8Å; M142-L144 VanDerWaalsContact C-N 3.33Å; M142-L144 PolarHBondContact O-N 3.34Å; M142-A145 PolarHBondContact O-N 3Å; M142-L146 WeakPolarHBondContact O-CB 3.48Å; M142-L146 WeakPolarHBondContact O-CG 3.46Å; M142-L146 PolarHBondContact O-N 2.81Å; M142-F210 HydrophobicContact CE-CE2 4.09Å; M142-F210 HydrophobicContact SD-CE2 4.48Å; M142-L214 HydrophobicContact CE-CB 3.7Å; M142-L214 HydrophobicContact CE-CD1 4.36Å; M142-L214 HydrophobicContact CE-CG 4.43Å; M142-L217 HydrophobicContact CB-CD2 3.97Å; M142-L217 HydrophobicContact CB-CG 4.35Å; M142-L217 HydrophobicContact CE-CB 4.42Å; M142-L217 HydrophobicContact CE-CD2 4.35Å; M142-L217 HydrophobicContact CE-CG 4.46Å; M142-L217 HydrophobicContact CG-CD2 4.15Å; M142-L217 HydrophobicContact CG-CG 4Å; M142-Y218 VanDerWaalsContact SD-CA 3.54Å; M142-Y218 HydrophobicContact SD-CD2 3.93Å; M142-Y218 HydrophobicContact SD-CG 4.28Å; M142-V221 HydrophobicContact CG-CB 4.24Å; M142-V221 HydrophobicContact CG-CG2 3.83Å |
| 143 | S | 98.2 | Very high | 97.9 | Very high | 76 Ų | 76 | 72.3 Ų | 72.3 | 53% | 0.531 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | L139 M140 L146 Q147 | L139-S143 WeakPolarHBondContact O-CB 3.38Å; L139-S143 PolarHBondContact O-N 2.99Å; L139-S143 PolarHBondContact O-OG 3.42Å; M140-S143 PolarHBondContact O-N 3.21Å; S143-L146 PolarHBondContact O-N 2.94Å; S143-Q147 WeakPolarHBondContact O-CB 3.29Å; S143-Q147 PolarHBondContact O-N 3.16Å |
| 144 | L | 98.3 | Very high | 98 | Very high | 116 Ų | 116 | 68.4 Ų | 68.4 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 174.7 | -67.9 | 171.1 | 0 | 0 | 0 | 112.1 | M140 G141 M142 Q147 C148 | M140-L144 WeakPolarHBondContact O-CG 3.36Å; M140-L144 PolarHBondContact O-N 3.04Å; G141-L144 PolarHBondContact O-N 2.81Å; M142-L144 VanDerWaalsContact C-N 3.33Å; M142-L144 PolarHBondContact O-N 3.34Å; L144-Q147 PolarHBondContact O-N 3.24Å; L144-C148 PolarHBondContact O-N 3.19Å; L144-C148 PolarHBondContact O-SG 2.81Å |
| 145 | A | 98.1 | Very high | 98 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G141 M142 Q147 C148 Q149 L217 | G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 2.69Å; M142-A145 PolarHBondContact O-N 3Å; A145-Q147 VanDerWaalsContact C-N 3.34Å; A145-C148 WeakPolarHBondContact O-CB 3.45Å; A145-C148 PolarHBondContact O-N 2.9Å; A145-Q149 WeakPolarHBondContact O-CG 3.37Å; A145-Q149 PolarHBondContact O-N 2.94Å; A145-L217 HydrophobicContact CB-CD1 4.33Å |
| 146 | L | 98.2 | Very high | 98.1 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 34% | 0.335 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.7 | -70.6 | 170.1 | 0 | 0 | 0 | 111.4 | M142 S143 C148 Q149 V150 L217 | M142-L146 WeakPolarHBondContact O-CB 3.48Å; M142-L146 WeakPolarHBondContact O-CG 3.46Å; M142-L146 PolarHBondContact O-N 2.81Å; S143-L146 PolarHBondContact O-N 2.94Å; L146-C148 VanDerWaalsContact C-N 3.29Å; L146-C148 PolarHBondContact O-N 2.82Å; L146-Q149 WeakPolarHBondContact O-CB 3.24Å; L146-Q149 PolarHBondContact O-N 2.88Å; L146-Q149 VanDerWaalsContact O-N 3.12Å; L146-V150 WeakPolarHBondContact O-CG2 3.47Å; L146-V150 PolarHBondContact O-N 3.3Å; L146-L217 HydrophobicContact CD1-CD2 4.03Å; L146-L217 HydrophobicContact CD2-CD2 3.8Å; L146-L217 HydrophobicContact CG-CD2 3.65Å |
| 147 | Q | 97.6 | Very high | 98.1 | Very high | 96 Ų | 96 | 74.8 Ų | 74.8 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 174.1 | -172.1 | 61.7 | 30 | 0 | 0 | 112.2 | S143 L144 A145 V150 R151 | S143-Q147 WeakPolarHBondContact O-CB 3.29Å; S143-Q147 PolarHBondContact O-N 3.16Å; L144-Q147 PolarHBondContact O-N 3.24Å; A145-Q147 VanDerWaalsContact C-N 3.34Å; Q147-V150 PolarHBondContact O-N 2.93Å; Q147-R151 PolarHBondContact O-N 3.2Å |
| 148 | C | 97.6 | Very high | 98.1 | Very high | 45 Ų | 45 | 71.9 Ų | 71.9 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 171.7 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | L144 A145 L146 V150 R151 E152 | L144-C148 PolarHBondContact O-N 3.19Å; L144-C148 PolarHBondContact O-SG 2.81Å; A145-C148 WeakPolarHBondContact O-CB 3.45Å; A145-C148 PolarHBondContact O-N 2.9Å; L146-C148 VanDerWaalsContact C-N 3.29Å; L146-C148 PolarHBondContact O-N 2.82Å; C148-V150 VanDerWaalsContact C-N 3.33Å; C148-V150 PolarHBondContact O-N 3.19Å; C148-R151 PolarHBondContact O-N 3.27Å; C148-R151 PolarHBondContact SG-NH2 2.78Å; C148-E152 WeakPolarHBondContact O-CG 3.37Å; C148-E152 PolarHBondContact O-N 3.44Å |
| 149 | Q | 97.9 | Very high | 98.2 | Very high | 94 Ų | 94 | 77.5 Ų | 77.5 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 176.4 | -67.8 | 176.6 | 8.4 | 0 | 0 | 112 | A145 L146 R151 E152 L153 | A145-Q149 WeakPolarHBondContact O-CG 3.37Å; A145-Q149 PolarHBondContact O-N 2.94Å; L146-Q149 WeakPolarHBondContact O-CB 3.24Å; L146-Q149 PolarHBondContact O-N 2.88Å; L146-Q149 VanDerWaalsContact O-N 3.12Å; Q149-R151 VanDerWaalsContact C-N 3.34Å; Q149-R151 PolarHBondContact O-N 2.94Å; Q149-E152 PolarHBondContact O-N 2.85Å; Q149-L153 WeakPolarHBondContact O-CB 3.37Å; Q149-L153 VanDerWaalsContact O-CG 3.25Å; Q149-L153 WeakPolarHBondContact O-CG 3.47Å; Q149-L153 PolarHBondContact O-N 3.1Å |
| 150 | V | 97.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 78.4 Ų | 78.4 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L146 Q147 C148 L153 A154 | L146-V150 WeakPolarHBondContact O-CG2 3.47Å; L146-V150 PolarHBondContact O-N 3.3Å; Q147-V150 PolarHBondContact O-N 2.93Å; C148-V150 VanDerWaalsContact C-N 3.33Å; C148-V150 PolarHBondContact O-N 3.19Å; V150-L153 PolarHBondContact O-N 2.93Å; V150-A154 WeakPolarHBondContact O-CB 3.41Å; V150-A154 PolarHBondContact O-N 3.41Å |
| 151 | R | 97.9 | Very high | 98.2 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.1 | -69.6 | -173.2 | -63.1 | -157 | -0.4 | 113.2 | Q147 C148 Q149 L153 A154 T155 | Q147-R151 PolarHBondContact O-N 3.2Å; C148-R151 PolarHBondContact O-N 3.27Å; C148-R151 PolarHBondContact SG-NH2 2.78Å; Q149-R151 VanDerWaalsContact C-N 3.34Å; Q149-R151 PolarHBondContact O-N 2.94Å; R151-L153 VanDerWaalsContact C-N 3.35Å; R151-A154 PolarHBondContact O-N 3.1Å; R151-T155 PolarHBondContact O-N 2.81Å; R151-T155 PolarHBondContact O-OG1 3.46Å |
| 152 | E | 98.3 | Very high | 98.2 | Very high | 137 Ų | 137 | 78.7 Ų | 78.7 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 176.5 | -73.3 | 178.5 | -157 | 0 | 0 | 111.3 | C148 Q149 T155 L156 | C148-E152 WeakPolarHBondContact O-CG 3.37Å; C148-E152 PolarHBondContact O-N 3.44Å; Q149-E152 PolarHBondContact O-N 2.85Å; E152-T155 PolarHBondContact O-N 3.47Å; E152-L156 PolarHBondContact O-N 3.18Å |
| 153 | L | 98.6 | Very high | 98.1 | Very high | 105 Ų | 105 | 81.4 Ų | 81.4 | 55% | 0.55 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 175.6 | -70.5 | 171.3 | 0 | 0 | 0 | 112.2 | Q149 V150 R151 T155 L156 L157 | Q149-L153 WeakPolarHBondContact O-CB 3.37Å; Q149-L153 VanDerWaalsContact O-CG 3.25Å; Q149-L153 WeakPolarHBondContact O-CG 3.47Å; Q149-L153 PolarHBondContact O-N 3.1Å; V150-L153 PolarHBondContact O-N 2.93Å; R151-L153 VanDerWaalsContact C-N 3.35Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 2.89Å; L153-L156 PolarHBondContact O-N 2.9Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.43Å |
| 154 | A | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 79.9 Ų | 79.9 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V150 R151 L156 L157 H158 F184 | V150-A154 WeakPolarHBondContact O-CB 3.41Å; V150-A154 PolarHBondContact O-N 3.41Å; R151-A154 PolarHBondContact O-N 3.1Å; A154-L156 VanDerWaalsContact C-N 3.34Å; A154-L156 PolarHBondContact O-N 3.35Å; A154-L157 PolarHBondContact O-N 2.94Å; A154-H158 PolarHBondContact O-CD2 3.11Å; A154-H158 PolarHBondContact O-N 2.9Å; A154-F184 HydrophobicContact CB-CE1 3.74Å; A154-F184 HydrophobicContact CB-CZ 4.24Å |
| 155 | T | 98.1 | Very high | 98 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 175.3 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | R151 E152 L153 L157 H158 M159 | R151-T155 PolarHBondContact O-N 2.81Å; R151-T155 PolarHBondContact O-OG1 3.46Å; E152-T155 PolarHBondContact O-N 3.47Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 2.89Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 2.92Å; T155-H158 PolarHBondContact O-N 3.48Å; T155-M159 WeakPolarHBondContact O-CG 3.46Å; T155-M159 PolarHBondContact O-N 3.09Å |
| 156 | L | 98.6 | Very high | 98 | Very high | 93 Ų | 93 | 81.8 Ų | 81.8 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 178.3 | -175.4 | 62.9 | 0 | 0 | 0 | 112.2 | E152 L153 A154 M159 K160 | E152-L156 PolarHBondContact O-N 3.18Å; L153-L156 PolarHBondContact O-N 2.9Å; A154-L156 VanDerWaalsContact C-N 3.34Å; A154-L156 PolarHBondContact O-N 3.35Å; L156-M159 PolarHBondContact O-N 2.97Å; L156-K160 WeakPolarHBondContact O-CG 3.21Å; L156-K160 PolarHBondContact O-N 2.89Å |
| 157 | L | 98.6 | Very high | 97.9 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 41% | 0.408 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 175.6 | -72.9 | 167.4 | 0 | 0 | 0 | 111.3 | L153 A154 T155 M159 K160 D161 F184 | L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.43Å; A154-L157 PolarHBondContact O-N 2.94Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 2.92Å; L157-M159 VanDerWaalsContact C-N 3.31Å; L157-M159 PolarHBondContact O-N 3.25Å; L157-K160 WeakPolarHBondContact O-CA 3.42Å; L157-K160 WeakPolarHBondContact O-CB 3.48Å; L157-K160 PolarHBondContact O-N 3.09Å; L157-D161 PolarHBondContact O-N 3.23Å; L157-F184 HydrophobicContact CB-CB 4Å; L157-F184 HydrophobicContact CB-CD1 3.74Å; L157-F184 HydrophobicContact CB-CE1 4.38Å; L157-F184 HydrophobicContact CB-CG 3.82Å; L157-F184 HydrophobicContact CD1-CD1 4.04Å; L157-F184 HydrophobicContact CD1-CD2 3.7Å; L157-F184 HydrophobicContact CD1-CE1 4.11Å; L157-F184 HydrophobicContact CD1-CE2 3.76Å; L157-F184 HydrophobicContact CD1-CG 3.85Å; L157-F184 HydrophobicContact CD1-CZ 3.97Å; L157-F184 HydrophobicContact CG-CG 4.41Å |
| 158 | H | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 81.7 Ų | 81.7 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 174.6 | -70.3 | -48.5 | 0 | 0 | 0 | 113 | A154 T155 K160 D161 L162 F184 | A154-H158 PolarHBondContact O-CD2 3.11Å; A154-H158 PolarHBondContact O-N 2.9Å; T155-H158 PolarHBondContact O-N 3.48Å; H158-K160 PolarHBondContact O-N 3.09Å; H158-D161 PolarHBondContact O-N 3.42Å; H158-L162 WeakPolarHBondContact O-CG 3.29Å; H158-L162 PolarHBondContact O-N 2.92Å; H158-L162 VanDerWaalsContact O-N 3.09Å; H158-F184 AromaticContact CE1-CD1 3.7Å; H158-F184 PolarHBondContact CE1-O 3.19Å; H158-F184 PolarHBondContact ND1-O 2.92Å; H158-F184 AromaticContact NE2-CD1 3.95Å |
| 159 | M | 98.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 86 Ų | 86 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 173.5 | -71.5 | -175.2 | 70 | 0 | 0 | 112.2 | T155 L156 L157 E163 | T155-M159 WeakPolarHBondContact O-CG 3.46Å; T155-M159 PolarHBondContact O-N 3.09Å; L156-M159 PolarHBondContact O-N 2.97Å; L157-M159 VanDerWaalsContact C-N 3.31Å; L157-M159 PolarHBondContact O-N 3.25Å; M159-E163 PolarHBondContact O-N 3.25Å |
| 160 | K | 98.4 | Very high | 97.5 | Very high | 85 Ų | 85 | 85.9 Ų | 85.9 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.1 | -37.3 | 176.4 | -71.8 | -75.3 | 159.8 | -158.9 | 0 | 112.2 | L156 L157 H158 L162 E163 I164 | L156-K160 WeakPolarHBondContact O-CG 3.21Å; L156-K160 PolarHBondContact O-N 2.89Å; L157-K160 WeakPolarHBondContact O-CA 3.42Å; L157-K160 WeakPolarHBondContact O-CB 3.48Å; L157-K160 PolarHBondContact O-N 3.09Å; H158-K160 PolarHBondContact O-N 3.09Å; K160-L162 VanDerWaalsContact C-N 3.34Å; K160-E163 IonicContact NZ-OE1 3.1Å; K160-E163 IonicContact NZ-OE2 2.71Å; K160-E163 PolarHBondContact NZ-OE2 3.35Å; K160-E163 WeakPolarHBondContact O-CB 3.42Å; K160-E163 PolarHBondContact O-N 2.94Å; K160-I164 VanDerWaalsContact O-CG1 3.29Å; K160-I164 WeakPolarHBondContact O-CG1 3.48Å; K160-I164 PolarHBondContact O-N 2.78Å |
| 161 | D | 98.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 85.3 Ų | 85.3 | 17% | 0.166 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.7 | -70.8 | -34.6 | 0 | 0 | 0 | 112 | L157 H158 E163 I164 Q165 F184 | L157-D161 PolarHBondContact O-N 3.23Å; H158-D161 PolarHBondContact O-N 3.42Å; D161-E163 VanDerWaalsContact C-N 3.34Å; D161-E163 PolarHBondContact O-N 3.17Å; D161-I164 PolarHBondContact O-N 3.35Å; D161-Q165 WeakPolarHBondContact O-CB 3.37Å; D161-Q165 PolarHBondContact O-N 3.24Å; D161-F184 WeakPolarHBondContact OD2-CB 3.09Å; D161-F184 PolarHBondContact OD2-N 2.89Å |
| 162 | L | 98 | Very high | 97.1 | Very high | 114 Ų | 114 | 79.9 Ų | 79.9 | 60% | 0.597 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 173.7 | -70.1 | 174.6 | 0 | 0 | 0 | 112.2 | H158 K160 Q165 D166 | H158-L162 WeakPolarHBondContact O-CG 3.29Å; H158-L162 PolarHBondContact O-N 2.92Å; H158-L162 VanDerWaalsContact O-N 3.09Å; K160-L162 VanDerWaalsContact C-N 3.34Å; L162-Q165 PolarHBondContact O-N 3.35Å; L162-D166 PolarHBondContact O-N 2.98Å |
| 163 | E | 98.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 29% | 0.29 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.1 | -178.4 | 178.4 | -176.7 | 0 | 0 | 111.2 | M159 K160 D161 Q165 D166 Y167 | M159-E163 PolarHBondContact O-N 3.25Å; K160-E163 IonicContact NZ-OE1 3.1Å; K160-E163 IonicContact NZ-OE2 2.71Å; K160-E163 PolarHBondContact NZ-OE2 3.35Å; K160-E163 WeakPolarHBondContact O-CB 3.42Å; K160-E163 PolarHBondContact O-N 2.94Å; D161-E163 VanDerWaalsContact C-N 3.34Å; D161-E163 PolarHBondContact O-N 3.17Å; E163-Q165 VanDerWaalsContact C-N 3.33Å; E163-Q165 PolarHBondContact O-N 2.88Å; E163-D166 PolarHBondContact O-N 3.4Å; E163-Y167 HydrophobicContact CG-CD2 4.29Å; E163-Y167 HydrophobicContact CG-CE2 3.83Å; E163-Y167 WeakPolarHBondContact O-CD2 3.38Å; E163-Y167 PolarHBondContact O-N 2.9Å |
| 164 | I | 96.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 74.7 Ų | 74.7 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.2 | -68.5 | 164.8 | 0 | 0 | 0 | 111.1 | K160 D161 Y167 Q168 | K160-I164 VanDerWaalsContact O-CG1 3.29Å; K160-I164 WeakPolarHBondContact O-CG1 3.48Å; K160-I164 PolarHBondContact O-N 2.78Å; D161-I164 PolarHBondContact O-N 3.35Å; I164-Y167 PolarHBondContact O-N 2.92Å; I164-Q168 WeakPolarHBondContact O-CG 3.49Å; I164-Q168 PolarHBondContact O-N 2.96Å |
| 165 | Q | 96.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 78.9 Ų | 78.9 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.8 | -177.3 | 178.2 | -8.6 | 0 | 0 | 111.4 | D161 L162 E163 Y167 Q168 E169 | D161-Q165 WeakPolarHBondContact O-CB 3.37Å; D161-Q165 PolarHBondContact O-N 3.24Å; L162-Q165 PolarHBondContact O-N 3.35Å; E163-Q165 VanDerWaalsContact C-N 3.33Å; E163-Q165 PolarHBondContact O-N 2.88Å; Q165-Y167 VanDerWaalsContact C-N 3.3Å; Q165-Y167 PolarHBondContact O-N 2.62Å; Q165-Q168 WeakPolarHBondContact O-CB 3.45Å; Q165-Q168 PolarHBondContact O-N 3.49Å; Q165-E169 HydrophobicContact CG-CG 4.3Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.39Å; Q165-E169 PolarHBondContact NE2-OE1 3.28Å; Q165-E169 WeakPolarHBondContact O-CG 3.34Å; Q165-E169 PolarHBondContact O-N 3.26Å |
| 166 | D | 97.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 81.2 Ų | 81.2 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 177.1 | -177 | 62.5 | 0 | 0 | 0 | 112.2 | L162 E163 Q168 E169 S170 | L162-D166 PolarHBondContact O-N 2.98Å; E163-D166 PolarHBondContact O-N 3.4Å; D166-Q168 PolarHBondContact O-N 2.91Å; D166-E169 PolarHBondContact O-N 3.37Å; D166-S170 VanDerWaalsContact O-CB 3.26Å; D166-S170 WeakPolarHBondContact O-CB 3.42Å; D166-S170 PolarHBondContact O-N 3.48Å; D166-S170 PolarHBondContact O-OG 3.13Å |
| 167 | Y | 96.1 | Very high | 95.9 | Very high | 64 Ų | 64 | 83.1 Ų | 83.1 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 173.1 | -78.8 | -63.5 | 0 | 0 | 0 | 112.5 | E163 I164 Q165 S170 G171 A172 F312 | E163-Y167 HydrophobicContact CG-CD2 4.29Å; E163-Y167 HydrophobicContact CG-CE2 3.83Å; E163-Y167 WeakPolarHBondContact O-CD2 3.38Å; E163-Y167 PolarHBondContact O-N 2.9Å; I164-Y167 PolarHBondContact O-N 2.92Å; Q165-Y167 VanDerWaalsContact C-N 3.3Å; Q165-Y167 PolarHBondContact O-N 2.62Å; Y167-S170 PolarHBondContact O-N 3.29Å; Y167-G171 PolarHBondContact O-N 3.18Å; Y167-A172 HydrophobicContact CD1-CB 4.37Å; Y167-A172 WeakPolarHBondContact O-CB 3.41Å; Y167-A172 PolarHBondContact O-N 3.42Å; Y167-F312 HydrophobicContact CD2-CE2 4.44Å |
| 168 | Q | 93.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 89.8 Ų | 89.8 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.4 | -68.1 | 171.2 | 15.6 | 0 | 0 | 111.6 | I164 Q165 D166 S170 G171 | I164-Q168 WeakPolarHBondContact O-CG 3.49Å; I164-Q168 PolarHBondContact O-N 2.96Å; Q165-Q168 WeakPolarHBondContact O-CB 3.45Å; Q165-Q168 PolarHBondContact O-N 3.49Å; D166-Q168 PolarHBondContact O-N 2.91Å; Q168-S170 VanDerWaalsContact C-N 3.28Å; Q168-S170 PolarHBondContact O-N 2.85Å; Q168-G171 PolarHBondContact O-N 3.32Å; Q168-G171 VanDerWaalsContact O-N 3.08Å |
| 169 | E | 95.6 | Very high | 95.6 | Very high | 137 Ų | 137 | 90.3 Ų | 90.3 | 64% | 0.64 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.4 | -31.9 | 177.2 | -70.6 | -179.4 | -175.2 | 0 | 0 | 112.1 | Q165 D166 G171 | Q165-E169 HydrophobicContact CG-CG 4.3Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.39Å; Q165-E169 PolarHBondContact NE2-OE1 3.28Å; Q165-E169 WeakPolarHBondContact O-CG 3.34Å; Q165-E169 PolarHBondContact O-N 3.26Å; D166-E169 PolarHBondContact O-N 3.37Å; E169-G171 PolarHBondContact O-N 2.93Å |
| 170 | S | 96.1 | Very high | 95.5 | Very high | 90 Ų | 90 | 91.7 Ų | 91.7 | 63% | 0.629 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -0.9 | 172.8 | -62 | 0 | 0 | 0 | 0 | 113.9 | D166 Y167 Q168 | D166-S170 VanDerWaalsContact O-CB 3.26Å; D166-S170 WeakPolarHBondContact O-CB 3.42Å; D166-S170 PolarHBondContact O-N 3.48Å; D166-S170 PolarHBondContact O-OG 3.13Å; Y167-S170 PolarHBondContact O-N 3.29Å; Q168-S170 VanDerWaalsContact C-N 3.28Å; Q168-S170 PolarHBondContact O-N 2.85Å |
| 171 | G | 93.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 91.9 Ų | 91.9 | 46% | 0.464 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 12.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y167 Q168 E169 | Y167-G171 PolarHBondContact O-N 3.18Å; Q168-G171 PolarHBondContact O-N 3.32Å; Q168-G171 VanDerWaalsContact O-N 3.08Å; E169-G171 PolarHBondContact O-N 2.93Å |
| 172 | A | 93.2 | Very high | 95.3 | Very high | 21 Ų | 21 | 98.7 Ų | 98.7 | 17% | 0.174 | 50% | 0.496 | C | S | . | . | trans | -68.8 | 134.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y167 F312 | Y167-A172 HydrophobicContact CD1-CB 4.37Å; Y167-A172 WeakPolarHBondContact O-CB 3.41Å; Y167-A172 PolarHBondContact O-N 3.42Å; A172-F312 HydrophobicContact CB-CB 4.41Å; A172-F312 HydrophobicContact CB-CD1 3.84Å; A172-F312 HydrophobicContact CB-CG 4.42Å | ||
| 173 | T | 91.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 98.3 Ų | 98.3 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.7 | 176.7 | 52 | 0 | 0 | 0 | 0 | 110 | ||
| 174 | L | 93.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 97.3 Ų | 97.3 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 134.4 | 175 | -91.7 | 109.5 | 0 | 0 | 0 | 109.9 | R176 L179 F312 | L174-R176 VanDerWaalsContact C-N 3.29Å; L174-L179 HydrophobicContact CD2-CB 3.97Å; L174-F312 HydrophobicContact CD1-CE1 3.94Å; L174-F312 HydrophobicContact CD1-CZ 4.3Å; L174-F312 HydrophobicContact CG-CE1 3.82Å; L174-F312 HydrophobicContact CG-CZ 4.2Å |
| 175 | I | 92.6 | Very high | 95.3 | Very high | 94 Ų | 94 | 99.4 Ų | 99.4 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -74.1 | -26.2 | 172.6 | -60.1 | 170.8 | 0 | 0 | 0 | 110.9 | S311 Q313 | I175-S311 WeakPolarHBondContact CG1-O 3.48Å; I175-Q313 HydrophobicContact CD1-CG 4.47Å |
| 176 | R | 95.2 | Very high | 95.3 | Very high | 134 Ų | 134 | 98 Ų | 98 | 51% | 0.506 | 50% | 0.498 | S | S | . | . | trans | -133 | 98.8 | -177.7 | -58.9 | -177.5 | -173.3 | 108.9 | 0 | 110.7 | L174 R178 L179 | L174-R176 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 3.06Å; R176-R178 VanDerWaalsContact O-N 3.08Å; R176-L179 HydrophobicContact CB-CD1 3.96Å; R176-L179 HydrophobicContact CB-CG 4.07Å; R176-L179 WeakPolarHBondContact O-CB 2.86Å; R176-L179 PolarHBondContact O-N 3.39Å | ||
| 177 | D | 93.2 | Very high | 95.2 | Very high | 133 Ų | 133 | 98.3 Ų | 98.3 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -55.4 | -32.2 | -175.9 | -64.3 | -23.2 | 0 | 0 | 0 | 114.4 | L179 K180 | D177-L179 PolarHBondContact O-N 3.11Å; D177-L179 VanDerWaalsContact O-N 3.08Å; D177-K180 VanDerWaalsContact O-CB 3.25Å; D177-K180 WeakPolarHBondContact O-CB 3.27Å; D177-K180 PolarHBondContact O-N 3.21Å |
| 178 | R | 95.2 | Very high | 95.2 | Very high | 217 Ų | 217 | 98.4 Ų | 98.4 | 82% | 0.819 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -63.1 | -13.3 | 177.8 | 70.8 | -179.8 | -178.5 | -169.5 | -0 | 114.9 | R176 K180 | R176-R178 PolarHBondContact O-N 3.06Å; R176-R178 VanDerWaalsContact O-N 3.08Å; R178-K180 VanDerWaalsContact C-N 3.35Å |
| 179 | L | 95.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 98.5 Ų | 98.5 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -86.4 | -10.1 | 176.5 | -63.7 | 179.5 | 0 | 0 | 0 | 112.4 | L174 R176 D177 T181 | L174-L179 HydrophobicContact CD2-CB 3.97Å; R176-L179 HydrophobicContact CB-CD1 3.96Å; R176-L179 HydrophobicContact CB-CG 4.07Å; R176-L179 WeakPolarHBondContact O-CB 2.86Å; R176-L179 PolarHBondContact O-N 3.39Å; D177-L179 PolarHBondContact O-N 3.11Å; D177-L179 VanDerWaalsContact O-N 3.08Å; L179-T181 PolarHBondContact O-N 3.07Å |
| 180 | K | 95.3 | Very high | 95.4 | Very high | 149 Ų | 149 | 95 Ų | 95 | 65% | 0.648 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 121 | 176.2 | -173.9 | -179.5 | -179.3 | -179.2 | 0 | 109.4 | D177 R178 | D177-K180 VanDerWaalsContact O-CB 3.25Å; D177-K180 WeakPolarHBondContact O-CB 3.27Å; D177-K180 PolarHBondContact O-N 3.21Å; R178-K180 VanDerWaalsContact C-N 3.35Å |
| 181 | T | 96.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 55% | 0.546 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -94 | 155.4 | 172 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | L179 | L179-T181 PolarHBondContact O-N 3.07Š|
| 182 | E | 96.6 | Very high | 95.6 | Very high | 174 Ų | 174 | 100.2 Ų | 100.2 | 81% | 0.813 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 146.2 | 166.9 | -62.3 | -170 | 160.9 | 0 | 0 | 109.6 | F184 | E182-F184 PolarHBondContact O-N 2.86Š|
| 183 | P | 97.3 | Very high | 95.8 | Very high | 106 Ų | 106 | 102.8 Ų | 102.8 | 69% | 0.688 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 135.8 | 174.3 | -22.9 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 184 | F | 98.2 | Very high | 96 | Very high | 42 Ų | 42 | 104.1 Ų | 104.1 | 18% | 0.184 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 132.1 | -179.1 | 177.4 | -102.8 | 0 | 0 | 0 | 110.9 | A154 L157 H158 D161 E182 E186 F189 | A154-F184 HydrophobicContact CB-CE1 3.74Å; A154-F184 HydrophobicContact CB-CZ 4.24Å; L157-F184 HydrophobicContact CB-CB 4Å; L157-F184 HydrophobicContact CB-CD1 3.74Å; L157-F184 HydrophobicContact CB-CE1 4.38Å; L157-F184 HydrophobicContact CB-CG 3.82Å; L157-F184 HydrophobicContact CD1-CD1 4.04Å; L157-F184 HydrophobicContact CD1-CD2 3.7Å; L157-F184 HydrophobicContact CD1-CE1 4.11Å; L157-F184 HydrophobicContact CD1-CE2 3.76Å; L157-F184 HydrophobicContact CD1-CG 3.85Å; L157-F184 HydrophobicContact CD1-CZ 3.97Å; L157-F184 HydrophobicContact CG-CG 4.41Å; H158-F184 AromaticContact CE1-CD1 3.7Å; H158-F184 PolarHBondContact CE1-O 3.19Å; H158-F184 PolarHBondContact ND1-O 2.92Å; H158-F184 AromaticContact NE2-CD1 3.95Å; D161-F184 WeakPolarHBondContact OD2-CB 3.09Å; D161-F184 PolarHBondContact OD2-N 2.89Å; E182-F184 PolarHBondContact O-N 2.86Å; F184-E186 HydrophobicContact CE1-CB 4.26Å; F184-E186 HydrophobicContact CZ-CB 4.45Å; F184-F189 HydrophobicContact CE2-CB 3.9Å; F184-F189 HydrophobicContact CE2-CD1 4.48Å; F184-F189 HydrophobicContact CE2-CD2 4.3Å; F184-F189 AromaticContact CE2-CG 3.97Å; F184-F189 HydrophobicContact CE2-CG 3.97Å; F184-F189 HydrophobicContact CZ-CB 4.38Å; F184-F189 HydrophobicContact CZ-CG 4.48Å |
| 185 | E | 97.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 110 Ų | 110 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | trans | -133.9 | 122.1 | 174.7 | -161.1 | -75.6 | 132.1 | 0 | 0 | 109.2 | N187 S188 F189 | E185-N187 WeakPolarHBondContact OE1-CB 3.48Å; E185-N187 PolarHBondContact OE1-N 2.81Å; E185-N187 VanDerWaalsContact OE1-N 3.1Å; E185-N187 PolarHBondContact OE1-ND2 3.3Å; E185-N187 PolarHBondContact OE2-N 3.3Å; E185-S188 WeakPolarHBondContact OE2-CA 3.37Å; E185-S188 WeakPolarHBondContact OE2-CB 3.2Å; E185-S188 PolarHBondContact OE2-N 2.89Å; E185-F189 WeakPolarHBondContact O-CB 3.34Å; E185-F189 PolarHBondContact O-N 3.35Å; E185-F189 VanDerWaalsContact O-N 3.15Å | ||
| 186 | E | 95.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 110.3 Ų | 110.3 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | -167.8 | -174.3 | 176.3 | 174.9 | 0 | 0 | 112.6 | F184 F189 L190 | F184-E186 HydrophobicContact CE1-CB 4.26Å; F184-E186 HydrophobicContact CZ-CB 4.45Å; E186-F189 PolarHBondContact O-N 3.46Å; E186-L190 HydrophobicContact CG-CD1 4.06Å; E186-L190 HydrophobicContact CG-CG 4.44Å; E186-L190 WeakPolarHBondContact O-CB 3.25Å; E186-L190 VanDerWaalsContact O-CG 3.31Å; E186-L190 WeakPolarHBondContact O-CG 3.46Å; E186-L190 PolarHBondContact O-N 3.34Å |
| 187 | N | 96.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 109.4 Ų | 109.4 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -45.8 | -174.4 | -59.5 | -64.6 | 0 | 0 | 0 | 111.4 | E185 F189 L190 E191 | E185-N187 WeakPolarHBondContact OE1-CB 3.48Å; E185-N187 PolarHBondContact OE1-N 2.81Å; E185-N187 VanDerWaalsContact OE1-N 3.1Å; E185-N187 PolarHBondContact OE1-ND2 3.3Å; E185-N187 PolarHBondContact OE2-N 3.3Å; N187-F189 VanDerWaalsContact C-N 3.34Å; N187-F189 PolarHBondContact O-N 2.94Å; N187-L190 PolarHBondContact O-N 2.91Å; N187-E191 WeakPolarHBondContact O-CB 3.46Å; N187-E191 WeakPolarHBondContact O-CG 3.47Å; N187-E191 PolarHBondContact O-N 3.22Å |
| 188 | S | 96.6 | Very high | 96.4 | Very high | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | E185 L190 E191 Q192 | E185-S188 WeakPolarHBondContact OE2-CA 3.37Å; E185-S188 WeakPolarHBondContact OE2-CB 3.2Å; E185-S188 PolarHBondContact OE2-N 2.89Å; S188-L190 PolarHBondContact O-N 3.35Å; S188-E191 PolarHBondContact O-N 2.97Å; S188-Q192 WeakPolarHBondContact O-CB 3.44Å; S188-Q192 PolarHBondContact O-N 2.99Å |
| 189 | F | 97.2 | Very high | 96.3 | Very high | 95 Ų | 95 | 100 Ų | 100 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 174.9 | 172.3 | -96 | 0 | 0 | 0 | 111.7 | F184 E185 E186 N187 Q192 F193 | F184-F189 HydrophobicContact CE2-CB 3.9Å; F184-F189 HydrophobicContact CE2-CD1 4.48Å; F184-F189 HydrophobicContact CE2-CD2 4.3Å; F184-F189 AromaticContact CE2-CG 3.97Å; F184-F189 HydrophobicContact CE2-CG 3.97Å; F184-F189 HydrophobicContact CZ-CB 4.38Å; F184-F189 HydrophobicContact CZ-CG 4.48Å; E185-F189 WeakPolarHBondContact O-CB 3.34Å; E185-F189 PolarHBondContact O-N 3.35Å; E185-F189 VanDerWaalsContact O-N 3.15Å; E186-F189 PolarHBondContact O-N 3.46Å; N187-F189 VanDerWaalsContact C-N 3.34Å; N187-F189 PolarHBondContact O-N 2.94Å; F189-Q192 PolarHBondContact O-N 2.71Å; F189-F193 HydrophobicContact CZ-CD2 4.46Å; F189-F193 VanDerWaalsContact O-CB 3.27Å; F189-F193 WeakPolarHBondContact O-CB 3.26Å; F189-F193 PolarHBondContact O-N 3.44Å |
| 190 | L | 96.3 | Very high | 96.1 | Very high | 64 Ų | 64 | 103.7 Ų | 103.7 | 34% | 0.335 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 179.3 | -71.6 | 175.3 | 0 | 0 | 0 | 111.7 | E186 N187 S188 Q192 F193 M194 | E186-L190 HydrophobicContact CG-CD1 4.06Å; E186-L190 HydrophobicContact CG-CG 4.44Å; E186-L190 WeakPolarHBondContact O-CB 3.25Å; E186-L190 VanDerWaalsContact O-CG 3.31Å; E186-L190 WeakPolarHBondContact O-CG 3.46Å; E186-L190 PolarHBondContact O-N 3.34Å; N187-L190 PolarHBondContact O-N 2.91Å; S188-L190 PolarHBondContact O-N 3.35Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 3.43Å; L190-F193 PolarHBondContact O-N 2.74Å; L190-M194 WeakPolarHBondContact O-CB 3.47Å; L190-M194 WeakPolarHBondContact O-CG 3.36Å; L190-M194 PolarHBondContact O-N 2.78Å |
| 191 | E | 96.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 99.9 Ų | 99.9 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.3 | -45.8 | 176.6 | -74.9 | -179.7 | -175.2 | 0 | 0 | 111.7 | N187 S188 M194 K195 | N187-E191 WeakPolarHBondContact O-CB 3.46Å; N187-E191 WeakPolarHBondContact O-CG 3.47Å; N187-E191 PolarHBondContact O-N 3.22Å; S188-E191 PolarHBondContact O-N 2.97Å; E191-M194 PolarHBondContact O-N 3.01Å; E191-K195 WeakPolarHBondContact O-CB 3.46Å; E191-K195 PolarHBondContact O-N 3.11Å; E191-K195 VanDerWaalsContact O-N 3.1Å |
| 192 | Q | 96.9 | Very high | 95.7 | Very high | 101 Ų | 101 | 99.4 Ų | 99.4 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 176.1 | -172.3 | 178.6 | 5.7 | 0 | 0 | 111.4 | S188 F189 L190 M194 K195 E196 | S188-Q192 WeakPolarHBondContact O-CB 3.44Å; S188-Q192 PolarHBondContact O-N 2.99Å; F189-Q192 PolarHBondContact O-N 2.71Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 3.43Å; Q192-M194 PolarHBondContact O-N 3.09Å; Q192-K195 PolarHBondContact O-N 2.71Å; Q192-E196 HydrophobicContact CG-CG 4.17Å; Q192-E196 WeakPolarHBondContact CG-OE2 3.44Å; Q192-E196 PolarHBondContact NE2-OE2 3.45Å; Q192-E196 WeakPolarHBondContact O-CB 3.45Å; Q192-E196 PolarHBondContact O-N 2.87Å |
| 193 | F | 97.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 94.6 Ų | 94.6 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 178.4 | -177.1 | -87.1 | 0 | 0 | 0 | 111.5 | F189 L190 K195 K197 L198 A201 | F189-F193 HydrophobicContact CZ-CD2 4.46Å; F189-F193 VanDerWaalsContact O-CB 3.27Å; F189-F193 WeakPolarHBondContact O-CB 3.26Å; F189-F193 PolarHBondContact O-N 3.44Å; L190-F193 PolarHBondContact O-N 2.74Å; F193-K195 VanDerWaalsContact C-N 3.26Å; F193-K195 PolarHBondContact O-N 2.83Å; F193-K197 HydrophobicContact CD2-CB 3.73Å; F193-K197 HydrophobicContact CD2-CG 4.15Å; F193-K197 HydrophobicContact CE2-CB 3.78Å; F193-K197 HydrophobicContact CE2-CG 4.5Å; F193-K197 HydrophobicContact CG-CB 4.22Å; F193-K197 HydrophobicContact CZ-CB 4.32Å; F193-K197 WeakPolarHBondContact O-CA 3.28Å; F193-K197 PolarHBondContact O-N 3.34Å; F193-L198 HydrophobicContact CE1-CB 4.47Å; F193-L198 HydrophobicContact CE1-CD1 4.26Å; F193-L198 PolarHBondContact O-N 3.41Å; F193-A201 HydrophobicContact CZ-CB 4.02Å |
| 194 | M | 96.5 | Very high | 95.3 | Very high | 115 Ų | 115 | 95.2 Ų | 95.2 | 57% | 0.567 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -34.2 | -179.8 | -66.4 | -67 | -92 | 0 | 0 | 111.9 | L190 E191 Q192 L198 | L190-M194 WeakPolarHBondContact O-CB 3.47Å; L190-M194 WeakPolarHBondContact O-CG 3.36Å; L190-M194 PolarHBondContact O-N 2.78Å; E191-M194 PolarHBondContact O-N 3.01Å; Q192-M194 PolarHBondContact O-N 3.09Å; M194-L198 HydrophobicContact CE-CD2 4.18Å; M194-L198 WeakPolarHBondContact O-CB 3.5Å; M194-L198 HydrophobicContact SD-CD1 4.36Å; M194-L198 HydrophobicContact SD-CD2 3.8Å; M194-L198 HydrophobicContact SD-CG 4.49Å |
| 195 | K | 94.8 | Very high | 95 | Very high | 169 Ų | 169 | 95.9 Ų | 95.9 | 74% | 0.735 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80.8 | -44.5 | 178.7 | -175.9 | -177.4 | 176.8 | -171.7 | 0 | 113.3 | E191 Q192 F193 | E191-K195 WeakPolarHBondContact O-CB 3.46Å; E191-K195 PolarHBondContact O-N 3.11Å; E191-K195 VanDerWaalsContact O-N 3.1Å; Q192-K195 PolarHBondContact O-N 2.71Å; F193-K195 VanDerWaalsContact C-N 3.26Å; F193-K195 PolarHBondContact O-N 2.83Å |
| 196 | E | 96.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -103.3 | -30.5 | -165.5 | -62.6 | -177.4 | 178 | 0 | 0 | 113.9 | Q192 | Q192-E196 HydrophobicContact CG-CG 4.17Å; Q192-E196 WeakPolarHBondContact CG-OE2 3.44Å; Q192-E196 PolarHBondContact NE2-OE2 3.45Å; Q192-E196 WeakPolarHBondContact O-CB 3.45Å; Q192-E196 PolarHBondContact O-N 2.87Å |
| 197 | K | 95.8 | Very high | 94.6 | Very high | 116 Ų | 116 | 91.7 Ų | 91.7 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -32.3 | -169.4 | -56.5 | -57.2 | 178.1 | -170.6 | 0 | 113.4 | F193 P199 E200 A201 | F193-K197 HydrophobicContact CD2-CB 3.73Å; F193-K197 HydrophobicContact CD2-CG 4.15Å; F193-K197 HydrophobicContact CE2-CB 3.78Å; F193-K197 HydrophobicContact CE2-CG 4.5Å; F193-K197 HydrophobicContact CG-CB 4.22Å; F193-K197 HydrophobicContact CZ-CB 4.32Å; F193-K197 WeakPolarHBondContact O-CA 3.28Å; F193-K197 PolarHBondContact O-N 3.34Å; K197-P199 VanDerWaalsContact C-CD 3.45Å; K197-E200 PolarHBondContact O-N 3.32Å; K197-A201 VanDerWaalsContact O-CB 3.26Å; K197-A201 WeakPolarHBondContact O-CB 3.36Å; K197-A201 PolarHBondContact O-N 3.49Å |
| 198 | L | 95.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 90.9 Ų | 90.9 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.7 | -45.3 | -176.2 | -176 | 70.6 | 0 | 0 | 0 | 114 | F193 M194 E200 A201 C202 | F193-L198 HydrophobicContact CE1-CB 4.47Å; F193-L198 HydrophobicContact CE1-CD1 4.26Å; F193-L198 PolarHBondContact O-N 3.41Å; M194-L198 HydrophobicContact CE-CD2 4.18Å; M194-L198 WeakPolarHBondContact O-CB 3.5Å; M194-L198 HydrophobicContact SD-CD1 4.36Å; M194-L198 HydrophobicContact SD-CD2 3.8Å; M194-L198 HydrophobicContact SD-CG 4.49Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 2.98Å; L198-A201 PolarHBondContact O-N 3.44Å; L198-C202 HydrophobicContact CD1-CB 4.24Å; L198-C202 PolarHBondContact O-N 2.92Å; L198-C202 PolarHBondContact O-SG 2.89Å |
| 199 | P | 93.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 90.4 Ų | 90.4 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.8 | -35.7 | -176.4 | -25.7 | 35.6 | 0 | 0 | 0 | 114.1 | K197 | K197-P199 VanDerWaalsContact C-CD 3.45Å |
| 200 | E | 92.1 | Very high | 94.3 | Very high | 165 Ų | 165 | 87.3 Ų | 87.3 | 77% | 0.771 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -85.2 | -40.1 | 176.6 | -171.1 | 176.1 | -174.8 | 0 | 0 | 111 | K197 L198 C202 S203 | K197-E200 PolarHBondContact O-N 3.32Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 2.98Å; E200-C202 VanDerWaalsContact C-N 3.34Å; E200-C202 PolarHBondContact O-N 3.31Å; E200-S203 WeakPolarHBondContact O-CB 3.2Å; E200-S203 PolarHBondContact O-N 3.06Å |
| 201 | A | 91.3 | Very high | 94.2 | Very high | 69 Ų | 69 | 85.7 Ų | 85.7 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.6 | -30.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F193 K197 L198 | F193-A201 HydrophobicContact CZ-CB 4.02Å; K197-A201 VanDerWaalsContact O-CB 3.26Å; K197-A201 WeakPolarHBondContact O-CB 3.36Å; K197-A201 PolarHBondContact O-N 3.49Å; L198-A201 PolarHBondContact O-N 3.44Å |
| 202 | C | 92.4 | Very high | 94 | Very high | 80 Ų | 80 | 85.1 Ų | 85.1 | 54% | 0.541 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.1 | 177.7 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | L198 E200 I204 | L198-C202 HydrophobicContact CD1-CB 4.24Å; L198-C202 PolarHBondContact O-N 2.92Å; L198-C202 PolarHBondContact O-SG 2.89Å; E200-C202 VanDerWaalsContact C-N 3.34Å; E200-C202 PolarHBondContact O-N 3.31Å; C202-I204 PolarHBondContact O-N 3.48Å; C202-I204 VanDerWaalsContact O-N 3.1Å |
| 203 | S | 93.8 | Very high | 93.9 | Very high | 73 Ų | 73 | 86.3 Ų | 86.3 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | trans | -68.8 | 107.9 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | E200 G205 | E200-S203 WeakPolarHBondContact O-CB 3.2Å; E200-S203 PolarHBondContact O-N 3.06Å; S203-G205 VanDerWaalsContact C-N 3.35Å | ||
| 204 | I | 91.5 | Very high | 93.9 | Very high | 118 Ų | 118 | 85.5 Ų | 85.5 | 61% | 0.605 | 47% | 0.467 | S | S | * | . | trans | -78.7 | -21.5 | 179.7 | 61.4 | 174.1 | 0 | 0 | 0 | 112.6 | L41 C202 D206 G207 | L41-I204 HydrophobicContact CD1-CD1 4.47Å; C202-I204 PolarHBondContact O-N 3.48Å; C202-I204 VanDerWaalsContact O-N 3.1Å; I204-D206 PolarHBondContact O-N 2.89Å; I204-G207 WeakPolarHBondContact O-CA 3.31Å; I204-G207 PolarHBondContact O-N 2.98Å | ||
| 205 | G | 91.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 80.8 Ų | 80.8 | 58% | 0.577 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | -123.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S203 | S203-G205 VanDerWaalsContact C-N 3.35Š|
| 206 | D | 91.7 | Very high | 93.9 | Very high | 62 Ų | 62 | 79.8 Ų | 79.8 | 33% | 0.332 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 9.7 | 177.5 | 66 | -9.9 | 0 | 0 | 0 | 113.5 | W15 S22 I204 K208 | W15-D206 VanDerWaalsContact CZ2-OD2 3.27Å; W15-D206 WeakPolarHBondContact CZ2-OD2 3.3Å; W15-D206 PolarHBondContact NE1-O 2.88Å; W15-D206 PolarHBondContact NE1-OD2 3.39Å; S22-D206 WeakPolarHBondContact OG-CB 3.5Å; I204-D206 PolarHBondContact O-N 2.89Å; D206-K208 VanDerWaalsContact C-N 3.28Å; D206-K208 PolarHBondContact O-N 2.96Å; D206-K208 WeakPolarHBondContact OD1-CB 3.35Å; D206-K208 PolarHBondContact OD1-N 3.35Å |
| 207 | G | 93.5 | Very high | 94 | Very high | 3 Ų | 3 | 76.7 Ų | 76.7 | 3% | 0.031 | 43% | 0.433 | C | S | . | . | S | Bend | trans | 83.4 | -4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I204 F210 V211 | I204-G207 WeakPolarHBondContact O-CA 3.31Å; I204-G207 PolarHBondContact O-N 2.98Å; G207-F210 WeakPolarHBondContact O-CB 3.31Å; G207-F210 PolarHBondContact O-N 3.11Å; G207-V211 PolarHBondContact O-N 3.42Å |
| 208 | K | 92.8 | Very high | 94.1 | Very high | 84 Ų | 84 | 71.2 Ų | 71.2 | 37% | 0.365 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.9 | -171.6 | 174.4 | -178.1 | 173.9 | 0 | 113.7 | W15 D206 F210 V211 M212 | W15-K208 HydrophobicContact CD2-CB 4.39Å; W15-K208 HydrophobicContact CD2-CD 4.41Å; W15-K208 HydrophobicContact CD2-CG 4.39Å; W15-K208 HydrophobicContact CG-CB 4.21Å; W15-K208 HydrophobicContact CG-CG 4.44Å; W15-K208 HydrophobicContact CH2-CD 4.45Å; W15-K208 HydrophobicContact CZ2-CD 4.37Å; D206-K208 VanDerWaalsContact C-N 3.28Å; D206-K208 PolarHBondContact O-N 2.96Å; D206-K208 WeakPolarHBondContact OD1-CB 3.35Å; D206-K208 PolarHBondContact OD1-N 3.35Å; K208-F210 VanDerWaalsContact C-N 3.27Å; K208-F210 PolarHBondContact O-N 3.27Å; K208-V211 PolarHBondContact O-N 2.94Å; K208-V211 VanDerWaalsContact O-N 3.13Å; K208-M212 HydrophobicContact CD-SD 4.2Å; K208-M212 HydrophobicContact CG-CG 4.11Å; K208-M212 HydrophobicContact CG-SD 3.74Å; K208-M212 WeakPolarHBondContact O-CG 3.5Å; K208-M212 PolarHBondContact O-N 3.46Å |
| 209 | P | 94.5 | Very high | 94.1 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 176.8 | -25 | 35.3 | 0 | 0 | 0 | 113.2 | M212 N213 | P209-M212 PolarHBondContact O-N 3.46Å; P209-N213 VanDerWaalsContact O-CB 3.31Å; P209-N213 WeakPolarHBondContact O-CB 3.4Å; P209-N213 PolarHBondContact O-N 3.29Å; P209-N213 PolarHBondContact O-ND2 2.93Å |
| 210 | F | 95.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 175.8 | 166.6 | -110.1 | 0 | 0 | 0 | 111.8 | W13 L24 L139 M142 G207 K208 L214 Q215 Y218 | W13-F210 HydrophobicContact CB-CD1 4.46Å; W13-F210 HydrophobicContact CB-CE1 3.69Å; W13-F210 HydrophobicContact CB-CZ 4.48Å; W13-F210 AromaticContact CD1-CE1 3.67Å; W13-F210 AromaticContact CD1-CZ 3.8Å; W13-F210 AromaticContact CG-CE1 3.73Å; W13-F210 HydrophobicContact CG-CE1 3.73Å; W13-F210 HydrophobicContact CG-CZ 4.31Å; L24-F210 HydrophobicContact CD1-CD1 3.99Å; L24-F210 HydrophobicContact CD1-CE1 4.37Å; L139-F210 HydrophobicContact CD2-CD2 4.35Å; L139-F210 HydrophobicContact CD2-CE2 3.7Å; L139-F210 HydrophobicContact CD2-CZ 4.24Å; M142-F210 HydrophobicContact CE-CE2 4.09Å; M142-F210 HydrophobicContact SD-CE2 4.48Å; G207-F210 WeakPolarHBondContact O-CB 3.31Å; G207-F210 PolarHBondContact O-N 3.11Å; K208-F210 VanDerWaalsContact C-N 3.27Å; K208-F210 PolarHBondContact O-N 3.27Å; F210-L214 HydrophobicContact CD2-CB 3.91Å; F210-L214 HydrophobicContact CD2-CD1 3.99Å; F210-L214 HydrophobicContact CE2-CB 4.31Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.49Å; F210-L214 VanDerWaalsContact O-N 3.12Å; F210-Q215 VanDerWaalsContact CZ-NE2 3.26Å; F210-Q215 PolarHBondContact O-NE2 2.91Å; F210-Y218 HydrophobicContact CZ-CD2 4.04Å; F210-Y218 HydrophobicContact CZ-CG 4.39Å |
| 211 | V | 94 | Very high | 94.6 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | W13 W15 L24 G207 K208 Q215 | W13-V211 HydrophobicContact CB-CG2 4.36Å; W15-V211 HydrophobicContact CB-CB 4.12Å; W15-V211 HydrophobicContact CB-CG1 4.12Å; W15-V211 HydrophobicContact CB-CG2 3.98Å; L24-V211 HydrophobicContact CD2-CG2 3.53Å; G207-V211 PolarHBondContact O-N 3.42Å; K208-V211 PolarHBondContact O-N 2.94Å; K208-V211 VanDerWaalsContact O-N 3.13Å; V211-Q215 HydrophobicContact CG1-CG 4.46Å; V211-Q215 WeakPolarHBondContact O-CG 3.46Å |
| 212 | M | 92.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 57.9 Ų | 57.9 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -76.1 | -37.6 | -177.5 | -67.6 | -175.7 | 71.8 | 0 | 0 | 112.9 | K208 P209 | K208-M212 HydrophobicContact CD-SD 4.2Å; K208-M212 HydrophobicContact CG-CG 4.11Å; K208-M212 HydrophobicContact CG-SD 3.74Å; K208-M212 WeakPolarHBondContact O-CG 3.5Å; K208-M212 PolarHBondContact O-N 3.46Å; P209-M212 PolarHBondContact O-N 3.46Å |
| 213 | N | 95 | Very high | 94.9 | Very high | 126 Ų | 126 | 58.3 Ų | 58.3 | 67% | 0.674 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -106.6 | -27.1 | -166.9 | -58.4 | -32.6 | 0 | 0 | 0 | 113.9 | P209 | P209-N213 VanDerWaalsContact O-CB 3.31Å; P209-N213 WeakPolarHBondContact O-CB 3.4Å; P209-N213 PolarHBondContact O-N 3.29Å; P209-N213 PolarHBondContact O-ND2 2.93Å |
| 214 | L | 97.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -116.1 | -4.6 | -163 | -63.4 | 176.8 | 0 | 0 | 0 | 115.1 | M142 F210 N216 L217 Y218 | M142-L214 HydrophobicContact CE-CB 3.7Å; M142-L214 HydrophobicContact CE-CD1 4.36Å; M142-L214 HydrophobicContact CE-CG 4.43Å; F210-L214 HydrophobicContact CD2-CB 3.91Å; F210-L214 HydrophobicContact CD2-CD1 3.99Å; F210-L214 HydrophobicContact CE2-CB 4.31Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.49Å; F210-L214 VanDerWaalsContact O-N 3.12Å; L214-N216 VanDerWaalsContact C-N 3.33Å; L214-N216 PolarHBondContact O-N 3.44Å; L214-L217 PolarHBondContact O-N 2.9Å; L214-Y218 WeakPolarHBondContact O-CB 3.33Å; L214-Y218 PolarHBondContact O-N 2.96Å |
| 215 | Q | 95.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -32 | -174.3 | -63.1 | -53.4 | -48.4 | 0 | 0 | 114 | P12 W13 F210 V211 Y218 M219 | P12-Q215 HydrophobicContact CB-CB 4.13Å; P12-Q215 HydrophobicContact CB-CG 4.4Å; W13-Q215 VanDerWaalsContact O-CD 3.27Å; W13-Q215 WeakPolarHBondContact O-CG 3.5Å; W13-Q215 PolarHBondContact O-OE1 2.85Å; F210-Q215 VanDerWaalsContact CZ-NE2 3.26Å; F210-Q215 PolarHBondContact O-NE2 2.91Å; V211-Q215 HydrophobicContact CG1-CG 4.46Å; V211-Q215 WeakPolarHBondContact O-CG 3.46Å; Q215-Y218 PolarHBondContact O-N 3.31Å; Q215-M219 VanDerWaalsContact O-CB 3.28Å; Q215-M219 WeakPolarHBondContact O-CB 3.26Å; Q215-M219 WeakPolarHBondContact O-CG 3.12Å; Q215-M219 PolarHBondContact O-N 3Å |
| 216 | N | 96.3 | Very high | 94.7 | Very high | 148 Ų | 148 | 55.6 Ų | 55.6 | 79% | 0.791 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 175.3 | -71.1 | -27.1 | 0 | 0 | 0 | 111.5 | L214 A220 | L214-N216 VanDerWaalsContact C-N 3.33Å; L214-N216 PolarHBondContact O-N 3.44Å; N216-A220 PolarHBondContact O-N 3.11Å; N216-A220 VanDerWaalsContact O-N 3.11Å |
| 217 | L | 98 | Very high | 94.4 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.2 | -43.8 | 177.4 | -177.9 | 64 | 0 | 0 | 0 | 111.1 | M142 A145 L146 L214 M219 A220 V221 | M142-L217 HydrophobicContact CB-CD2 3.97Å; M142-L217 HydrophobicContact CB-CG 4.35Å; M142-L217 HydrophobicContact CE-CB 4.42Å; M142-L217 HydrophobicContact CE-CD2 4.35Å; M142-L217 HydrophobicContact CE-CG 4.46Å; M142-L217 HydrophobicContact CG-CD2 4.15Å; M142-L217 HydrophobicContact CG-CG 4Å; A145-L217 HydrophobicContact CB-CD1 4.33Å; L146-L217 HydrophobicContact CD1-CD2 4.03Å; L146-L217 HydrophobicContact CD2-CD2 3.8Å; L146-L217 HydrophobicContact CG-CD2 3.65Å; L214-L217 PolarHBondContact O-N 2.9Å; L217-M219 VanDerWaalsContact C-N 3.29Å; L217-M219 PolarHBondContact O-N 3.43Å; L217-A220 PolarHBondContact O-N 3.2Å; L217-A220 VanDerWaalsContact O-N 3.1Å; L217-V221 HydrophobicContact CD1-CG2 4.29Å; L217-V221 HydrophobicContact CG-CG2 4.43Å; L217-V221 WeakPolarHBondContact O-CG2 3.22Å; L217-V221 PolarHBondContact O-N 3.01Å |
| 218 | Y | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.5 | -49.4 | 174.5 | 170.8 | -91.9 | 0 | 0 | 0 | 111.1 | W13 K26 H134 P138 M142 F210 L214 Q215 A220 V221 T222 | W13-Y218 AromaticContact CD1-CE1 3.74Å; W13-Y218 AromaticContact CD1-CE2 3.65Å; W13-Y218 AromaticContact CD1-CZ 3.4Å; W13-Y218 VanDerWaalsContact CD1-CZ 3.4Å; W13-Y218 AromaticContact NE1-CE2 3.57Å; W13-Y218 AromaticContact NE1-CZ 3.38Å; W13-Y218 PolarHBondContact NE1-OH 2.85Å; K26-Y218 PolarHBondContact NZ-OH 3.46Å; K26-Y218 VanDerWaalsContact NZ-OH 3.1Å; H134-Y218 WeakPolarHBondContact O-CE2 3.43Å; H134-Y218 PolarHBondContact O-OH 3.19Å; P138-Y218 HydrophobicContact CB-CD2 3.9Å; P138-Y218 HydrophobicContact CB-CE2 3.71Å; P138-Y218 HydrophobicContact CG-CE2 4.17Å; M142-Y218 VanDerWaalsContact SD-CA 3.54Å; M142-Y218 HydrophobicContact SD-CD2 3.93Å; M142-Y218 HydrophobicContact SD-CG 4.28Å; F210-Y218 HydrophobicContact CZ-CD2 4.04Å; F210-Y218 HydrophobicContact CZ-CG 4.39Å; L214-Y218 WeakPolarHBondContact O-CB 3.33Å; L214-Y218 PolarHBondContact O-N 2.96Å; Q215-Y218 PolarHBondContact O-N 3.31Å; Y218-A220 VanDerWaalsContact C-N 3.34Å; Y218-A220 PolarHBondContact O-N 3.43Å; Y218-V221 PolarHBondContact O-N 2.91Å; Y218-T222 HydrophobicContact CD1-CG2 4.36Å; Y218-T222 HydrophobicContact CD2-CG2 4.37Å; Y218-T222 HydrophobicContact CE1-CG2 3.9Å; Y218-T222 HydrophobicContact CE2-CG2 3.93Å; Y218-T222 WeakPolarHBondContact O-CG2 3.42Å; Y218-T222 PolarHBondContact O-N 3.37Å; Y218-T222 PolarHBondContact O-OG1 2.7Å |
| 219 | M | 96.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 178.1 | -75.7 | -66.9 | -69.1 | 0 | 0 | 113.5 | M10 P12 Q215 L217 T222 K223 | M10-M219 WeakPolarHBondContact O-CE 3.35Å; P12-M219 HydrophobicContact CB-CG 4Å; P12-M219 HydrophobicContact CB-SD 4.09Å; Q215-M219 VanDerWaalsContact O-CB 3.28Å; Q215-M219 WeakPolarHBondContact O-CB 3.26Å; Q215-M219 WeakPolarHBondContact O-CG 3.12Å; Q215-M219 PolarHBondContact O-N 3Å; L217-M219 VanDerWaalsContact C-N 3.29Å; L217-M219 PolarHBondContact O-N 3.43Å; M219-T222 WeakPolarHBondContact CA-OG1 3.43Å; M219-T222 PolarHBondContact O-OG1 3.01Å; M219-K223 WeakPolarHBondContact O-CB 3.37Å; M219-K223 VanDerWaalsContact O-CD 3.27Å; M219-K223 WeakPolarHBondContact O-CD 3.32Å; M219-K223 WeakPolarHBondContact O-CG 3.35Å; M219-K223 PolarHBondContact O-N 3.47Å |
| 220 | A | 97.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N216 L217 Y218 Q224 | N216-A220 PolarHBondContact O-N 3.11Å; N216-A220 VanDerWaalsContact O-N 3.11Å; L217-A220 PolarHBondContact O-N 3.2Å; L217-A220 VanDerWaalsContact O-N 3.1Å; Y218-A220 VanDerWaalsContact C-N 3.34Å; Y218-A220 PolarHBondContact O-N 3.43Å; A220-Q224 WeakPolarHBondContact O-CB 3.17Å; A220-Q224 PolarHBondContact O-N 3.24Å |
| 221 | V | 97.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 65.8 Ų | 65.8 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 179.1 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | P138 M142 L217 Y218 K223 Q224 E225 | P138-V221 HydrophobicContact CB-CG1 4.44Å; M142-V221 HydrophobicContact CG-CB 4.24Å; M142-V221 HydrophobicContact CG-CG2 3.83Å; L217-V221 HydrophobicContact CD1-CG2 4.29Å; L217-V221 HydrophobicContact CG-CG2 4.43Å; L217-V221 WeakPolarHBondContact O-CG2 3.22Å; L217-V221 PolarHBondContact O-N 3.01Å; Y218-V221 PolarHBondContact O-N 2.91Å; V221-K223 VanDerWaalsContact C-N 3.33Å; V221-K223 PolarHBondContact O-N 3.41Å; V221-Q224 WeakPolarHBondContact O-CB 3.4Å; V221-Q224 PolarHBondContact O-N 3.41Å; V221-Q224 VanDerWaalsContact O-N 3.11Å; V221-E225 PolarHBondContact O-N 3.24Å |
| 222 | T | 94.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | P138 Y218 M219 Q224 E225 V226 | P138-T222 HydrophobicContact CB-CG2 3.84Å; P138-T222 HydrophobicContact CG-CG2 3.68Å; Y218-T222 HydrophobicContact CD1-CG2 4.36Å; Y218-T222 HydrophobicContact CD2-CG2 4.37Å; Y218-T222 HydrophobicContact CE1-CG2 3.9Å; Y218-T222 HydrophobicContact CE2-CG2 3.93Å; Y218-T222 WeakPolarHBondContact O-CG2 3.42Å; Y218-T222 PolarHBondContact O-N 3.37Å; Y218-T222 PolarHBondContact O-OG1 2.7Å; M219-T222 WeakPolarHBondContact CA-OG1 3.43Å; M219-T222 PolarHBondContact O-OG1 3.01Å; T222-Q224 VanDerWaalsContact C-N 3.31Å; T222-Q224 PolarHBondContact O-N 2.73Å; T222-E225 PolarHBondContact O-N 3.44Å; T222-V226 WeakPolarHBondContact O-CG2 3.29Å; T222-V226 PolarHBondContact O-N 3.24Å; T222-V226 VanDerWaalsContact O-N 3.07Å |
| 223 | K | 94.4 | Very high | 87.6 | Confident | 88 Ų | 88 | 73.1 Ų | 73.1 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 173.6 | -76.4 | 171.5 | -176.6 | 178.6 | 0 | 112 | M10 M219 V221 V226 Q227 | M10-K223 HydrophobicContact CE-CB 4.33Å; M10-K223 HydrophobicContact CE-CG 3.52Å; M10-K223 HydrophobicContact SD-CG 3.92Å; M219-K223 WeakPolarHBondContact O-CB 3.37Å; M219-K223 VanDerWaalsContact O-CD 3.27Å; M219-K223 WeakPolarHBondContact O-CD 3.32Å; M219-K223 WeakPolarHBondContact O-CG 3.35Å; M219-K223 PolarHBondContact O-N 3.47Å; V221-K223 VanDerWaalsContact C-N 3.33Å; V221-K223 PolarHBondContact O-N 3.41Å; K223-V226 PolarHBondContact O-N 2.91Å; K223-Q227 VanDerWaalsContact O-CG 3.3Å; K223-Q227 WeakPolarHBondContact O-CG 3.44Å; K223-Q227 PolarHBondContact O-N 3.15Å; K223-Q227 VanDerWaalsContact O-N 3.11Å |
| 224 | Q | 94.1 | Very high | 85.2 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 179 | -174.4 | 63.4 | 23.4 | 0 | 0 | 111.3 | A220 V221 T222 V226 Q227 V228 | A220-Q224 WeakPolarHBondContact O-CB 3.17Å; A220-Q224 PolarHBondContact O-N 3.24Å; V221-Q224 WeakPolarHBondContact O-CB 3.4Å; V221-Q224 PolarHBondContact O-N 3.41Å; V221-Q224 VanDerWaalsContact O-N 3.11Å; T222-Q224 VanDerWaalsContact C-N 3.31Å; T222-Q224 PolarHBondContact O-N 2.73Å; Q224-V226 VanDerWaalsContact C-N 3.34Å; Q224-V226 PolarHBondContact O-N 3.24Å; Q224-Q227 PolarHBondContact O-N 3.48Å; Q224-V228 HydrophobicContact CG-CG2 4.41Å; Q224-V228 WeakPolarHBondContact O-CB 3.43Å; Q224-V228 VanDerWaalsContact O-CG2 3.26Å; Q224-V228 WeakPolarHBondContact O-CG2 3.34Å; Q224-V228 PolarHBondContact O-N 3.38Å |
| 225 | E | 90.5 | Very high | 82.8 | Confident | 52 Ų | 52 | 73.1 Ų | 73.1 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 177.8 | -74.1 | -166.4 | -137.6 | 0 | 0 | 112.3 | R137 V221 T222 V228 G229 | R137-E225 VanDerWaalsContact C-OE1 3.23Å; R137-E225 WeakPolarHBondContact CB-OE2 3.45Å; R137-E225 IonicContact CZ-OE2 2.86Å; R137-E225 IonicContact NE-OE2 2.81Å; R137-E225 PolarHBondContact NE-OE2 3.1Å; R137-E225 IonicContact NH2-OE2 3.19Å; V221-E225 PolarHBondContact O-N 3.24Å; T222-E225 PolarHBondContact O-N 3.44Å; E225-V228 PolarHBondContact O-N 3.33Å; E225-G229 PolarHBondContact O-N 3.11Å |
| 226 | V | 88.4 | Confident | 80.2 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | L9 M10 T222 K223 Q224 V228 G229 Q230 | L9-V226 HydrophobicContact CD2-CG2 3.3Å; L9-V226 HydrophobicContact CG-CG2 4.03Å; M10-V226 HydrophobicContact SD-CG2 4.21Å; T222-V226 WeakPolarHBondContact O-CG2 3.29Å; T222-V226 PolarHBondContact O-N 3.24Å; T222-V226 VanDerWaalsContact O-N 3.07Å; K223-V226 PolarHBondContact O-N 2.91Å; Q224-V226 VanDerWaalsContact C-N 3.34Å; Q224-V226 PolarHBondContact O-N 3.24Å; V226-V228 VanDerWaalsContact C-N 3.35Å; V226-V228 PolarHBondContact O-N 3.03Å; V226-G229 PolarHBondContact O-N 3.49Å; V226-Q230 WeakPolarHBondContact O-CG 3.32Å; V226-Q230 PolarHBondContact O-N 3.41Å |
| 227 | Q | 87 | Confident | 77.2 | Confident | 95 Ų | 95 | 75.5 Ų | 75.5 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 179 | -71.7 | 174.2 | 29.3 | 0 | 0 | 112.1 | K223 Q224 Q230 K231 | K223-Q227 VanDerWaalsContact O-CG 3.3Å; K223-Q227 WeakPolarHBondContact O-CG 3.44Å; K223-Q227 PolarHBondContact O-N 3.15Å; K223-Q227 VanDerWaalsContact O-N 3.11Å; Q224-Q227 PolarHBondContact O-N 3.48Å; Q227-Q230 PolarHBondContact O-N 3.01Å; Q227-K231 WeakPolarHBondContact O-CG 3.39Å; Q227-K231 PolarHBondContact O-N 3.43Å; Q227-K231 VanDerWaalsContact O-N 3.11Å |
| 228 | V | 83.6 | Confident | 74.3 | Confident | 57 Ų | 57 | 79 Ų | 79 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 177 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | Q224 E225 V226 Q230 K231 H232 | Q224-V228 HydrophobicContact CG-CG2 4.41Å; Q224-V228 WeakPolarHBondContact O-CB 3.43Å; Q224-V228 VanDerWaalsContact O-CG2 3.26Å; Q224-V228 WeakPolarHBondContact O-CG2 3.34Å; Q224-V228 PolarHBondContact O-N 3.38Å; E225-V228 PolarHBondContact O-N 3.33Å; V226-V228 VanDerWaalsContact C-N 3.35Å; V226-V228 PolarHBondContact O-N 3.03Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; V228-Q230 PolarHBondContact O-N 2.97Å; V228-K231 PolarHBondContact O-N 3.24Å; V228-H232 VanDerWaalsContact CG1-CE1 3.47Å; V228-H232 WeakPolarHBondContact CG1-CE1 3.45Å; V228-H232 PolarHBondContact O-N 3.23Å; V228-H232 PolarHBondContact O-ND1 2.94Å |
| 229 | G | 76.6 | Confident | 71.5 | Confident | 36 Ų | 36 | 87.7 Ų | 87.7 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E225 V226 H232 Q233 | E225-G229 PolarHBondContact O-N 3.11Å; V226-G229 PolarHBondContact O-N 3.49Å; G229-H232 PolarHBondContact O-N 3.24Å; G229-Q233 PolarHBondContact O-N 2.94Å |
| 230 | Q | 73.2 | Confident | 68.3 | Low | 109 Ų | 109 | 92.6 Ų | 92.6 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 178.2 | -72.7 | 176.5 | -9.9 | 0 | 0 | 112.9 | V226 Q227 V228 H232 Q233 G234 | V226-Q230 WeakPolarHBondContact O-CG 3.32Å; V226-Q230 PolarHBondContact O-N 3.41Å; Q227-Q230 PolarHBondContact O-N 3.01Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; V228-Q230 PolarHBondContact O-N 2.97Å; Q230-H232 VanDerWaalsContact C-N 3.32Å; Q230-H232 PolarHBondContact O-N 3.27Å; Q230-Q233 PolarHBondContact O-N 3.4Å; Q230-G234 PolarHBondContact O-N 2.94Å |
| 231 | K | 68.1 | Low | 65.3 | Low | 152 Ų | 152 | 94 Ų | 94 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 175.8 | -75.9 | -179.5 | -179.6 | -179.2 | 0 | 112.6 | Q227 V228 G234 T235 | Q227-K231 WeakPolarHBondContact O-CG 3.39Å; Q227-K231 PolarHBondContact O-N 3.43Å; Q227-K231 VanDerWaalsContact O-N 3.11Å; V228-K231 PolarHBondContact O-N 3.24Å; K231-G234 PolarHBondContact O-N 3.23Å; K231-T235 PolarHBondContact O-OG1 3.07Å |
| 232 | H | 60.8 | Low | 61.9 | Low | 143 Ų | 143 | 100.6 Ų | 100.6 | 66% | 0.662 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.9 | -29.5 | 177.7 | -69.7 | 95.1 | 0 | 0 | 0 | 112.8 | V228 G229 Q230 | V228-H232 VanDerWaalsContact CG1-CE1 3.47Å; V228-H232 WeakPolarHBondContact CG1-CE1 3.45Å; V228-H232 PolarHBondContact O-N 3.23Å; V228-H232 PolarHBondContact O-ND1 2.94Å; G229-H232 PolarHBondContact O-N 3.24Å; Q230-H232 VanDerWaalsContact C-N 3.32Å; Q230-H232 PolarHBondContact O-N 3.27Å |
| 233 | Q | 56.6 | Low | 58.8 | Low | 172 Ų | 172 | 106 Ų | 106 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.3 | -25.4 | 173.7 | -74.2 | -178.9 | 3.9 | 0 | 0 | 113.7 | G229 Q230 T235 | G229-Q233 PolarHBondContact O-N 2.94Å; Q230-Q233 PolarHBondContact O-N 3.4Å; Q233-T235 VanDerWaalsContact C-N 3.32Å; Q233-T235 PolarHBondContact O-N 2.87Å |
| 234 | G | 46.2 | Very low | 55.6 | Low | 65 Ų | 65 | 106 Ų | 106 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -81.7 | -1.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q230 K231 G236 | Q230-G234 PolarHBondContact O-N 2.94Å; K231-G234 PolarHBondContact O-N 3.23Å; G234-G236 VanDerWaalsContact C-N 3.35Å |
| 235 | T | 45.7 | Very low | 52.3 | Low | 118 Ų | 118 | 106.5 Ų | 106.5 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | trans | -101.5 | 44.4 | 178.1 | -39.3 | 0 | 0 | 0 | 0 | 110.7 | K231 Q233 | K231-T235 PolarHBondContact O-OG1 3.07Å; Q233-T235 VanDerWaalsContact C-N 3.32Å; Q233-T235 PolarHBondContact O-N 2.87Å | ||
| 236 | G | 41.2 | Very low | 49.6 | Very low | 63 Ų | 63 | 109.9 Ų | 109.9 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | trans | -80.5 | 126.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G234 | G234-G236 VanDerWaalsContact C-N 3.35Š| ||
| 237 | D | 32.4 | Very low | 46.7 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | -43.3 | 134.3 | -170.5 | -65.2 | -52.9 | 0 | 0 | 0 | 115.5 | Q239 | D237-Q239 PolarHBondContact O-N 3.11Š| ||
| 238 | P | 38.1 | Very low | 43.8 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | trans | -68.3 | 123.6 | 157 | 10.3 | 2.4 | 0 | 0 | 0 | 108.3 | T240 | P238-T240 PolarHBondContact O-N 3.41Å; P238-T240 PolarHBondContact O-OG1 3.28Å | ||
| 239 | Q | 39.6 | Very low | 41.2 | Very low | 181 Ų | 181 | 121.8 Ų | 121.8 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -43.1 | 116.2 | 168.6 | -67.2 | -147.5 | -48.4 | 0 | 0 | 110.9 | D237 | D237-Q239 PolarHBondContact O-N 3.11Š| ||
| 240 | T | 28.5 | Very low | 38.8 | Very low | 135 Ų | 135 | 128 Ų | 128 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | -111.2 | 93.1 | 160 | -22.1 | 0 | 0 | 0 | 0 | 107 | P238 | P238-T240 PolarHBondContact O-N 3.41Å; P238-T240 PolarHBondContact O-OG1 3.28Å | ||
| 241 | S | 34.1 | Very low | 36.7 | Very low | 86 Ų | 86 | 128 Ų | 128 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | -61.8 | 149.2 | 159.8 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 242 | N | 26.7 | Very low | 34.9 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 98.1 | 123.7 | -176.6 | -57.3 | -18.8 | 0 | 0 | 0 | 112.3 | ||||
| 243 | S | 28.6 | Very low | 33.1 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -168.5 | 162.1 | 12.3 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 244 | A | 27.8 | Very low | 31.6 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 69.8 | 99.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 245 | S | 25.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -51.9 | 147.4 | 142.1 | 46.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 246 | P | 33.7 | Very low | 29.8 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | -133.1 | 157.9 | 112.4 | 31.3 | -17.2 | 0 | 0 | 0 | 113.7 | |||||
| 247 | Q | 28 | Very low | 29.7 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -64.1 | 149.9 | -176.1 | -69.3 | 148 | -56.5 | 0 | 0 | 113.9 | ||||
| 248 | G | 24.3 | Very low | 29.5 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 95.6 | 108 | 136.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 249 | I | 28.9 | Very low | 29 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | -178.3 | 135.9 | 96.5 | -85.1 | 160.6 | 0 | 0 | 0 | 108.8 | |||||
| 250 | H | 26.4 | Very low | 28.3 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -60.9 | 140.6 | 173.5 | -95.7 | -99.7 | 0 | 0 | 0 | 114 | ||||
| 251 | S | 29.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 177.7 | 104.8 | 135.7 | 19.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 252 | Q | 29.7 | Very low | 27.8 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | 29.9 | 130.8 | 84 | -82.9 | -179.8 | -8.9 | 0 | 0 | 113.1 | |||||
| 253 | C | 22.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 136 Ų | 136 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | cis | -179.9 | 171.9 | -1.9 | -170.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 254 | V | 25.6 | Very low | 27.7 | Very low | 120 Ų | 120 | 135 Ų | 135 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 86.3 | 96 | 155.9 | -167.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 255 | N | 24.3 | Very low | 28.1 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | 6.5 | 138.1 | 123.1 | -59.4 | -46.4 | 0 | 0 | 0 | 115.3 | |||||
| 256 | Q | 29.6 | Very low | 28 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | cis | 172.4 | -164.6 | 49.3 | -140.9 | -168.9 | 76.6 | 0 | 0 | 108.7 | ||||
| 257 | P | 39.8 | Very low | 27.6 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | -105.9 | 172.7 | -121 | 42.5 | -26.5 | 0 | 0 | 0 | 114.4 | |||||
| 258 | E | 28.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -158.1 | 126.8 | 148.2 | -115.2 | 163.9 | -169.3 | 0 | 0 | 112.1 | ||||
| 259 | Q | 27.4 | Very low | 27.6 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -66.5 | 147.3 | 168.6 | -78 | 170.9 | -49.8 | 0 | 0 | 110.4 | ||||
| 260 | L | 25.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -174.6 | 116.8 | 118 | -113.3 | 117.7 | 0 | 0 | 0 | 112.2 | |||||
| 261 | V | 24.4 | Very low | 27.9 | Very low | 121 Ų | 121 | 137 Ų | 137 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 51.2 | 112.2 | 129.8 | -170.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 262 | S | 26.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | 33.3 | 121.3 | 125.6 | -158 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 263 | S | 28 | Very low | 27.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | 177.7 | 119.6 | 116.5 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 264 | A | 25.9 | Very low | 27.6 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -91 | 171 | 143.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 265 | P | 36.5 | Very low | 27.5 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | cis | -143 | 172.6 | 25.1 | 40.7 | -21.1 | 0 | 0 | 0 | 115.5 | ||||
| 266 | T | 23 | Very low | 27.5 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -167.2 | 137.7 | 131.3 | 15 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 267 | L | 25.3 | Very low | 27.3 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -72.7 | 148.4 | 169.9 | -76.2 | 149.4 | 0 | 0 | 0 | 112 | ||||
| 268 | S | 26.5 | Very low | 26.5 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -166.8 | 123.3 | 140.1 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 269 | V | 26.9 | Very low | 26.4 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | trans | -107.1 | 148.3 | 160.4 | 177.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 270 | P | 35.2 | Very low | 26.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | -145.5 | 141.7 | 98.3 | 28.4 | -6.6 | 0 | 0 | 0 | 116.8 | |||||
| 271 | E | 24.8 | Very low | 26.6 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | 32.7 | 130.3 | 138.5 | -61.9 | -178.8 | 150.3 | 0 | 0 | 123 | ||||
| 272 | K | 27.2 | Very low | 26.8 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | -162.8 | 133.6 | 116.7 | -132.3 | 172.7 | -177.4 | 176.2 | 0 | 114 | |||||
| 273 | E | 23.9 | Very low | 26.8 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -54.9 | 148.5 | 167.7 | -84 | 170.2 | 129 | 0 | 0 | 114.6 | ||||
| 274 | S | 26.1 | Very low | 26.8 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -149.8 | 124.8 | 145.9 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 275 | T | 23.5 | Very low | 26.9 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 83% | 0.828 | 84% | 0.839 | S | S | * | * | trans | -75.3 | 152.6 | -176.7 | -32.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 276 | A | 24 | Very low | 26.5 | Very low | 83 Ų | 83 | 153.7 Ų | 153.7 | 69% | 0.686 | 84% | 0.843 | S | S | * | * | trans | 76.9 | 116.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 277 | L | 24.7 | Very low | 26.8 | Very low | 158 Ų | 158 | 158.7 Ų | 158.7 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | -175.3 | 127.8 | 97.5 | -121.2 | 98.6 | 0 | 0 | 0 | 111.4 | |||||
| 278 | C | 23.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -61.1 | 140.3 | 163 | -78.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | R | 26.8 | Very low | 26.9 | Very low | 222 Ų | 222 | 160.3 Ų | 160.3 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | trans | -161.8 | 113.4 | 143.8 | -109.5 | 169.4 | -171.2 | -176.7 | 3.1 | 111.9 | ||||
| 280 | D | 26.2 | Very low | 27 | Very low | 156 Ų | 156 | 160 Ų | 160 | 83% | 0.834 | 85% | 0.85 | S | S | * | * | trans | 15.2 | 115.3 | 146.4 | -60 | -36 | 0 | 0 | 0 | 119.1 | ||||
| 281 | L | 30.2 | Very low | 26.7 | Very low | 175 Ų | 175 | 162.6 Ų | 162.6 | 92% | 0.916 | 85% | 0.852 | S | S | * | * | trans | -130.3 | 110.5 | 148.5 | -82.6 | 166.4 | 0 | 0 | 0 | 109.4 | ||||
| 282 | S | 28.1 | Very low | 26.8 | Very low | 113 Ų | 113 | 158 Ų | 158 | 79% | 0.79 | 85% | 0.854 | S | S | * | * | trans | -70.9 | 119.5 | 177.5 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | Q284 | S282-Q284 PolarHBondContact O-N 3.4Š| ||
| 283 | C | 27.3 | Very low | 26.7 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 89% | 0.892 | 85% | 0.849 | S | S | * | * | trans | -82.8 | 111.5 | 166.7 | -78.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 284 | Q | 27.4 | Very low | 26.9 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | -65 | 129.6 | 169.5 | -75.2 | 179.3 | -19.7 | 0 | 0 | 110.9 | S282 | S282-Q284 PolarHBondContact O-N 3.4Š| ||
| 285 | R | 27.5 | Very low | 27.4 | Very low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 84% | 0.843 | S | S | * | * | trans | -93.4 | 103.3 | 178.8 | -160.5 | 178.8 | -164.6 | -179.9 | 5.9 | 108.7 | ||||
| 286 | S | 28.3 | Very low | 28 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -84.4 | 115.2 | 171 | 38.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 287 | R | 29 | Very low | 28.7 | Very low | 252 Ų | 252 | 150.5 Ų | 150.5 | 95% | 0.951 | 84% | 0.844 | S | S | * | * | trans | -78.2 | 123.9 | 168.2 | -82.5 | 177.1 | 168.4 | 171.8 | -2.9 | 109 | ||||
| 288 | G | 26.4 | Very low | 29.3 | Very low | 79 Ų | 79 | 149.6 Ų | 149.6 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | -136.6 | 110.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 289 | R | 28 | Very low | 30 | Very low | 239 Ų | 239 | 149 Ų | 149 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -82.6 | 129.3 | 172.7 | -113 | -180 | 176.5 | -175 | -1.3 | 108.7 | ||||
| 290 | S | 29 | Very low | 30.5 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -153 | 138.1 | 144.7 | -168.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 291 | Q | 29.8 | Very low | 31.1 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -98.8 | 150.9 | -167.9 | -70.4 | -177.9 | -16.9 | 0 | 0 | 112.5 | ||||
| 292 | G | 26.1 | Very low | 31.4 | Very low | 86 Ų | 86 | 143.3 Ų | 143.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 90.4 | 119.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 293 | G | 25.2 | Very low | 31.8 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | cis | 175.8 | 142.4 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 294 | S | 28.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -168 | 94.1 | 148.4 | -176.9 | 0 | 0 | 0 | 0 | 106.2 | V296 | S294-V296 PolarHBondContact O-N 2.92Š| ||
| 295 | S | 35.6 | Very low | 33.1 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -91.8 | 95.4 | -174.7 | 177.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 296 | V | 37.1 | Very low | 33.6 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -135.5 | -17.4 | 162.8 | -170.5 | 0 | 0 | 0 | 0 | 113.7 | S294 | S294-V296 PolarHBondContact O-N 2.92Š|
| 297 | N | 38.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -113.5 | 26.9 | -169.9 | -75 | -17.9 | 0 | 0 | 0 | 117 | ||
| 298 | L | 38.1 | Very low | 34.9 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -113.8 | 5.2 | -179.9 | -75.7 | 170 | 0 | 0 | 0 | 115.8 | ||
| 299 | L | 36.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 58% | 0.576 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.5 | -17.4 | -177 | -101.3 | 119.9 | 0 | 0 | 0 | 115.4 | Q302 L303 | L299-Q302 PolarHBondContact O-N 3.1Å; L299-L303 HydrophobicContact CB-CD1 4.2Å; L299-L303 HydrophobicContact CD2-CD1 3.81Å; L299-L303 HydrophobicContact CD2-CG 4.42Å; L299-L303 PolarHBondContact O-N 2.61Å; L299-L303 VanDerWaalsContact O-N 3.09Å |
| 300 | W | 37.7 | Very low | 36.8 | Very low | 208 Ų | 208 | 120.8 Ų | 120.8 | 79% | 0.788 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.5 | -40 | -175.2 | -133.7 | -31.6 | 0 | 0 | 0 | 114.6 | Q302 L304 | W300-Q302 VanDerWaalsContact C-N 3.26Å; W300-Q302 PolarHBondContact O-N 3.33Å; W300-L304 PolarHBondContact O-N 3.46Å |
| 301 | P | 39.9 | Very low | 37.8 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 59% | 0.591 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69 | -24.4 | 177.7 | -19.7 | 32.6 | 0 | 0 | 0 | 113.4 | ||
| 302 | Q | 35.5 | Very low | 38.5 | Very low | 136 Ų | 136 | 109.7 Ų | 109.7 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -87.8 | -33.9 | -178.3 | -69.6 | -178.9 | -10 | 0 | 0 | 112.5 | L299 W300 M306 | L299-Q302 PolarHBondContact O-N 3.1Å; W300-Q302 VanDerWaalsContact C-N 3.26Å; W300-Q302 PolarHBondContact O-N 3.33Å; Q302-M306 PolarHBondContact O-N 3.37Å |
| 303 | L | 36.3 | Very low | 39.8 | Very low | 97 Ų | 97 | 112 Ų | 112 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.6 | -40.6 | 175.3 | -88.3 | 154.1 | 0 | 0 | 0 | 112.4 | L299 R305 M306 | L299-L303 HydrophobicContact CB-CD1 4.2Å; L299-L303 HydrophobicContact CD2-CD1 3.81Å; L299-L303 HydrophobicContact CD2-CG 4.42Å; L299-L303 PolarHBondContact O-N 2.61Å; L299-L303 VanDerWaalsContact O-N 3.09Å; L303-R305 VanDerWaalsContact C-N 3.32Å; L303-R305 PolarHBondContact O-N 3.28Å; L303-M306 PolarHBondContact O-N 3.47Å |
| 304 | L | 43.1 | Very low | 40.5 | Very low | 98 Ų | 98 | 112.9 Ų | 112.9 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.7 | -26.7 | 178 | -79.4 | 162.2 | 0 | 0 | 0 | 113.4 | W300 L308 | W300-L304 PolarHBondContact O-N 3.46Å; L304-L308 PolarHBondContact O-N 2.99Å |
| 305 | R | 38.7 | Very low | 41 | Very low | 172 Ų | 172 | 111.4 Ų | 111.4 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69 | -36.2 | 176.7 | -152.8 | 179.3 | -150.9 | -166 | 3.7 | 111.9 | L303 E309 | L303-R305 VanDerWaalsContact C-N 3.32Å; L303-R305 PolarHBondContact O-N 3.28Å; R305-E309 PolarHBondContact O-N 2.86Å |
| 306 | M | 37.6 | Very low | 41.4 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.4 | -30 | 178.5 | -76.1 | -179.2 | 140 | 0 | 0 | 113.3 | Q302 L303 N310 | Q302-M306 PolarHBondContact O-N 3.37Å; L303-M306 PolarHBondContact O-N 3.47Å; M306-N310 PolarHBondContact O-N 3.17Å; M306-N310 PolarHBondContact O-ND2 2.93Å |
| 307 | D | 41.3 | Very low | 41.6 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80.7 | -30.2 | 179.3 | -79.8 | -27.8 | 0 | 0 | 0 | 113.3 | S311 | D307-S311 PolarHBondContact O-OG 3.43Å |
| 308 | L | 44.8 | Very low | 41.8 | Very low | 53 Ų | 53 | 113.8 Ų | 113.8 | 28% | 0.277 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.4 | -42.6 | 174.3 | -89.7 | 151 | 0 | 0 | 0 | 111.9 | L304 N310 S311 F312 | L304-L308 PolarHBondContact O-N 2.99Å; L308-N310 PolarHBondContact O-N 2.96Å; L308-S311 PolarHBondContact O-N 3.36Å; L308-F312 HydrophobicContact CD2-CE2 3.95Å; L308-F312 WeakPolarHBondContact O-CD2 3.29Å |
| 309 | E | 44.8 | Very low | 42 | Very low | 119 Ų | 119 | 112.4 Ų | 112.4 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.4 | -28.7 | 176.9 | -75.9 | 176.5 | 176.1 | 0 | 0 | 112.8 | R305 S311 | R305-E309 PolarHBondContact O-N 2.86Å; E309-S311 VanDerWaalsContact C-N 3.3Å; E309-S311 PolarHBondContact O-N 3.03Å |
| 310 | N | 49.7 | Very low | 42.3 | Very low | 126 Ų | 126 | 112.6 Ų | 112.6 | 67% | 0.674 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -6.2 | 175.8 | -77.2 | -38 | 0 | 0 | 0 | 114.3 | M306 L308 | M306-N310 PolarHBondContact O-N 3.17Å; M306-N310 PolarHBondContact O-ND2 2.93Å; L308-N310 PolarHBondContact O-N 2.96Å |
| 311 | S | 49.8 | Very low | 42.6 | Very low | 27 Ų | 27 | 106.6 Ų | 106.6 | 19% | 0.189 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.5 | -12.5 | -173.2 | -62 | 0 | 0 | 0 | 0 | 114.2 | I175 D307 L308 E309 | I175-S311 WeakPolarHBondContact CG1-O 3.48Å; D307-S311 PolarHBondContact O-OG 3.43Å; L308-S311 PolarHBondContact O-N 3.36Å; E309-S311 VanDerWaalsContact C-N 3.3Å; E309-S311 PolarHBondContact O-N 3.03Å |
| 312 | F | 44.3 | Very low | 42.8 | Very low | 34 Ų | 34 | 107.7 Ų | 107.7 | 15% | 0.149 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.9 | 179.9 | -70.5 | -78.4 | 0 | 0 | 0 | 110.6 | Y167 A172 L174 L308 | Y167-F312 HydrophobicContact CD2-CE2 4.44Å; A172-F312 HydrophobicContact CB-CB 4.41Å; A172-F312 HydrophobicContact CB-CD1 3.84Å; A172-F312 HydrophobicContact CB-CG 4.42Å; L174-F312 HydrophobicContact CD1-CE1 3.94Å; L174-F312 HydrophobicContact CD1-CZ 4.3Å; L174-F312 HydrophobicContact CG-CE1 3.82Å; L174-F312 HydrophobicContact CG-CZ 4.2Å; L308-F312 HydrophobicContact CD2-CE2 3.95Å; L308-F312 WeakPolarHBondContact O-CD2 3.29Å |
| 313 | Q | 52.2 | Low | 43.3 | Very low | 135 Ų | 135 | 105.6 Ų | 105.6 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.5 | 171.7 | -118.3 | -179.2 | -20.3 | 0 | 0 | 109.6 | I175 | I175-Q313 HydrophobicContact CD1-CG 4.47Å |
| 314 | A | 40.9 | Very low | 43.8 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 81% | 0.81 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 125.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 315 | S | 37.9 | Very low | 43.9 | Very low | 87 Ų | 87 | 107 Ų | 107 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.6 | 171.6 | -71.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 316 | P | 44.8 | Very low | 44.4 | Very low | 201 Ų | 201 | 101.1 Ų | 101.1 | 100% | 1.305 | 58% | 0.581 | S | S | * | * | trans | -68.5 | 0 | -167.9 | 27 | -35.5 | 0 | 0 | 0 | 115.9 |
Retrieved 316 of 316 residues in 463.6 ms
(Link to these results)