| 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 | 87.3 | Confident | 87.9 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | 0 | -59.7 | 0 | -161.1 | 54.7 | 71.2 | 0 | 0 | 113.3 | V3 F4 Q5 G14 L16 T20 M24 | M1-V3 VanDerWaalsContact C-N 3.28Å; M1-V3 PolarHBondContact O-N 3.44Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-F4 WeakPolarHBondContact O-CB 3Å; M1-F4 PolarHBondContact O-N 3.38Å; M1-Q5 PolarHBondContact O-N 3.19Å; M1-G14 VanDerWaalsContact CB-O 3.3Å; M1-G14 WeakPolarHBondContact CB-O 3.42Å; M1-G14 VanDerWaalsContact CG-O 3.24Å; M1-G14 WeakPolarHBondContact CG-O 3.46Å; M1-L16 HydrophobicContact CE-CB 4.3Å; M1-L16 HydrophobicContact CE-CD1 3.86Å; M1-L16 HydrophobicContact SD-CD1 4.46Å; M1-T20 HydrophobicContact CG-CG2 4.49Å; M1-T20 HydrophobicContact SD-CG2 3.61Å; M1-M24 HydrophobicContact CE-CE 3.71Å; M1-M24 HydrophobicContact SD-CE 3.36Å; M1-M24 WeakPolarHBondContact SD-CE 3.23Å | |||
| 2 | K | 88.6 | Confident | 88 | Confident | 120 Ų | 120 | 41.8 Ų | 41.8 | 52% | 0.522 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -50.1 | -42.5 | -176 | -66.8 | -171.8 | 175.6 | -176.6 | 0 | 114.7 | F4 Q5 E6 T13 | K2-F4 PolarHBondContact O-N 2.63Å; K2-Q5 WeakPolarHBondContact O-CB 3.38Å; K2-Q5 PolarHBondContact O-N 3.2Å; K2-Q5 VanDerWaalsContact O-N 3.16Å; K2-E6 WeakPolarHBondContact O-CG 3.4Å; K2-E6 PolarHBondContact O-N 3.35Å; K2-T13 WeakPolarHBondContact CE-O 3.48Å |
| 3 | V | 85 | Confident | 88.2 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -44 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | M1 Q5 E6 M7 V34 | M1-V3 VanDerWaalsContact C-N 3.28Å; M1-V3 PolarHBondContact O-N 3.44Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-Q5 VanDerWaalsContact C-N 3.3Å; V3-Q5 PolarHBondContact O-N 3.45Å; V3-E6 WeakPolarHBondContact O-CB 3.45Å; V3-E6 PolarHBondContact O-N 2.91Å; V3-M7 HydrophobicContact CG1-CG 4.33Å; V3-M7 VanDerWaalsContact O-CG 3.28Å; V3-M7 WeakPolarHBondContact O-CG 3.41Å; V3-M7 PolarHBondContact O-N 3.31Å; V3-V34 HydrophobicContact CB-CG2 4.3Å; V3-V34 HydrophobicContact CG1-CG2 3.35Å |
| 4 | F | 88.6 | Confident | 88.5 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 175.1 | 168 | -98 | 0 | 0 | 0 | 111.3 | M1 K2 E6 M7 A8 T20 K23 M24 R28 | M1-F4 WeakPolarHBondContact O-CB 3Å; M1-F4 PolarHBondContact O-N 3.38Å; K2-F4 PolarHBondContact O-N 2.63Å; F4-E6 VanDerWaalsContact C-N 3.34Å; F4-E6 PolarHBondContact O-N 3.02Å; F4-M7 PolarHBondContact O-N 3.49Å; F4-A8 HydrophobicContact CE1-CB 4.27Å; F4-A8 HydrophobicContact CE2-CB 4.42Å; F4-A8 HydrophobicContact CZ-CB 4.1Å; F4-A8 VanDerWaalsContact O-CB 3.29Å; F4-A8 WeakPolarHBondContact O-CB 3.5Å; F4-A8 PolarHBondContact O-N 3.42Å; F4-T20 HydrophobicContact CD1-CG2 3.93Å; F4-T20 HydrophobicContact CE1-CG2 3.89Å; F4-K23 HydrophobicContact CE1-CB 3.96Å; F4-K23 HydrophobicContact CZ-CB 3.72Å; F4-M24 HydrophobicContact CD1-CE 3.61Å; F4-M24 HydrophobicContact CD1-CG 4.05Å; F4-M24 HydrophobicContact CE1-CB 4.48Å; F4-M24 HydrophobicContact CE1-CE 3.91Å; F4-M24 HydrophobicContact CE1-CG 3.38Å; F4-M24 HydrophobicContact CE1-SD 4.45Å; F4-M24 HydrophobicContact CE2-CG 4.12Å; F4-M24 HydrophobicContact CG-CE 4.03Å; F4-M24 HydrophobicContact CZ-CB 4.19Å; F4-M24 HydrophobicContact CZ-CG 3.41Å; F4-M24 VanDerWaalsContact CZ-CG 3.41Å; F4-R28 VanDerWaalsContact CD2-NH1 3.29Å |
| 5 | Q | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.6 | -69.6 | 169.1 | -35.5 | 0 | 0 | 111.9 | M1 K2 V3 A8 G9 I10 S12 T13 D15 T20 | M1-Q5 PolarHBondContact O-N 3.19Å; K2-Q5 WeakPolarHBondContact O-CB 3.38Å; K2-Q5 PolarHBondContact O-N 3.2Å; K2-Q5 VanDerWaalsContact O-N 3.16Å; V3-Q5 VanDerWaalsContact C-N 3.3Å; V3-Q5 PolarHBondContact O-N 3.45Å; Q5-A8 PolarHBondContact O-N 3.48Å; Q5-G9 PolarHBondContact O-N 3.1Å; Q5-G9 VanDerWaalsContact O-N 3.11Å; Q5-I10 CarbonylContact C-O 3.57Å; Q5-I10 HydrophobicContact CB-CD1 4.21Å; Q5-I10 HydrophobicContact CB-CG1 3.8Å; Q5-I10 HydrophobicContact CG-CD1 3.86Å; Q5-I10 HydrophobicContact CG-CG1 4.03Å; Q5-I10 WeakPolarHBondContact O-CG1 3.45Å; Q5-I10 PolarHBondContact O-N 3.36Å; Q5-I10 VanDerWaalsContact O-O 3.07Å; Q5-S12 VanDerWaalsContact OE1-CA 3.31Å; Q5-T13 VanDerWaalsContact OE1-N 3.16Å; Q5-D15 PolarHBondContact NE2-O 2.93Å; Q5-T20 HydrophobicContact CG-CG2 4.03Å; Q5-T20 PolarHBondContact NE2-OG1 2.92Å |
| 6 | E | 85.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 172.2 | -70.1 | 177.7 | -170.1 | 0 | 0 | 111.5 | K2 V3 F4 A8 G9 S12 K198 | K2-E6 WeakPolarHBondContact O-CG 3.4Å; K2-E6 PolarHBondContact O-N 3.35Å; V3-E6 WeakPolarHBondContact O-CB 3.45Å; V3-E6 PolarHBondContact O-N 2.91Å; F4-E6 VanDerWaalsContact C-N 3.34Å; F4-E6 PolarHBondContact O-N 3.02Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.06Å; E6-G9 PolarHBondContact O-N 3.48Å; E6-S12 WeakPolarHBondContact CG-OG 3.28Å; E6-K198 IonicContact OE2-NZ 2.73Å |
| 7 | M | 86 | Confident | 89.3 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | -179.5 | -65.3 | -62.3 | -64.7 | 0 | 0 | 112.7 | V3 F4 G9 D33 H196 S197 K198 N205 P206 | V3-M7 HydrophobicContact CG1-CG 4.33Å; V3-M7 VanDerWaalsContact O-CG 3.28Å; V3-M7 WeakPolarHBondContact O-CG 3.41Å; V3-M7 PolarHBondContact O-N 3.31Å; F4-M7 PolarHBondContact O-N 3.49Å; M7-G9 PolarHBondContact O-N 3.49Å; M7-D33 HydrophobicContact CE-CB 4.42Å; M7-D33 HydrophobicContact CG-CB 4.1Å; M7-H196 HydrophobicContact CE-CB 3.47Å; M7-H196 VanDerWaalsContact CE-CB 3.47Å; M7-S197 VanDerWaalsContact CE-O 3.27Å; M7-S197 WeakPolarHBondContact CE-O 3.41Å; M7-K198 HydrophobicContact CE-CG 4.45Å; M7-K198 HydrophobicContact SD-CB 4.41Å; M7-K198 HydrophobicContact SD-CD 4.4Å; M7-K198 HydrophobicContact SD-CG 3.35Å; M7-K198 WeakPolarHBondContact SD-CG 3.34Å; M7-N205 PolarHBondContact O-ND2 3.1Å; M7-N205 VanDerWaalsContact O-ND2 3.15Å; M7-P206 HydrophobicContact CB-CG 4.07Å; M7-P206 HydrophobicContact CE-CG 3.83Å |
| 8 | A | 88.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F4 Q5 E6 I10 K23 Q200 I207 | F4-A8 HydrophobicContact CE1-CB 4.27Å; F4-A8 HydrophobicContact CE2-CB 4.42Å; F4-A8 HydrophobicContact CZ-CB 4.1Å; F4-A8 VanDerWaalsContact O-CB 3.29Å; F4-A8 WeakPolarHBondContact O-CB 3.5Å; F4-A8 PolarHBondContact O-N 3.42Å; Q5-A8 PolarHBondContact O-N 3.48Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.06Å; A8-I10 HydrophobicContact CB-CG1 4.18Å; A8-K23 HydrophobicContact CB-CB 3.96Å; A8-K23 HydrophobicContact CB-CD 4.18Å; A8-K23 HydrophobicContact CB-CG 3.93Å; A8-K23 WeakPolarHBondContact O-CE 3.49Å; A8-K23 PolarHBondContact O-NZ 3.34Å; A8-Q200 PolarHBondContact O-NE2 3.47Å; A8-I207 HydrophobicContact CB-CD1 3.71Å |
| 9 | G | 88 | Confident | 89.6 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 45.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q5 E6 M7 Q200 | Q5-G9 PolarHBondContact O-N 3.1Å; Q5-G9 VanDerWaalsContact O-N 3.11Å; E6-G9 PolarHBondContact O-N 3.48Å; M7-G9 PolarHBondContact O-N 3.49Å; G9-Q200 PolarHBondContact O-NE2 3.09Å; G9-Q200 VanDerWaalsContact O-NE2 3.15Å |
| 10 | I | 89.8 | Confident | 89.7 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -117.9 | 160.5 | 171.2 | 58.1 | 170.1 | 0 | 0 | 0 | 110 | Q5 A8 S12 T20 K23 | Q5-I10 CarbonylContact C-O 3.57Å; Q5-I10 HydrophobicContact CB-CD1 4.21Å; Q5-I10 HydrophobicContact CB-CG1 3.8Å; Q5-I10 HydrophobicContact CG-CD1 3.86Å; Q5-I10 HydrophobicContact CG-CG1 4.03Å; Q5-I10 WeakPolarHBondContact O-CG1 3.45Å; Q5-I10 PolarHBondContact O-N 3.36Å; Q5-I10 VanDerWaalsContact O-O 3.07Å; A8-I10 HydrophobicContact CB-CG1 4.18Å; I10-S12 PolarHBondContact O-N 3.26Å; I10-T20 HydrophobicContact CD1-CG2 4.48Å; I10-K23 HydrophobicContact CD1-CB 4.35Å; I10-K23 HydrophobicContact CD1-CG 3.98Å; I10-K23 HydrophobicContact CG2-CD 4.36Å; I10-K23 HydrophobicContact CG2-CG 3.8Å |
| 11 | P | 88.7 | Confident | 89.8 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | trans | -52.9 | 125.6 | 178.8 | -28.1 | 36.2 | 0 | 0 | 0 | 112 | T13 | P11-T13 HydrophobicContact CB-CG2 4.1Å; P11-T13 PolarHBondContact O-N 3.36Å | ||
| 12 | S | 89 | Confident | 89.9 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | trans | -85.6 | 56.1 | -171.8 | -37.8 | 0 | 0 | 0 | 0 | 112 | Q5 E6 I10 G14 N252 | Q5-S12 VanDerWaalsContact OE1-CA 3.31Å; E6-S12 WeakPolarHBondContact CG-OG 3.28Å; I10-S12 PolarHBondContact O-N 3.26Å; S12-G14 PolarHBondContact O-N 3.01Å; S12-N252 VanDerWaalsContact CB-ND2 3.3Å; S12-N252 WeakPolarHBondContact CB-ND2 3.39Å; S12-N252 PolarHBondContact OG-ND2 2.83Å | ||
| 13 | T | 90.6 | Very high | 90 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | trans | -64.6 | -29.9 | -175.1 | 78.1 | 0 | 0 | 0 | 0 | 112 | K2 Q5 P11 D15 | K2-T13 WeakPolarHBondContact CE-O 3.48Å; Q5-T13 VanDerWaalsContact OE1-N 3.16Å; P11-T13 HydrophobicContact CB-CG2 4.1Å; P11-T13 PolarHBondContact O-N 3.36Å; T13-D15 VanDerWaalsContact CB-OD2 3.23Å; T13-D15 WeakPolarHBondContact CB-OD2 3.2Å; T13-D15 WeakPolarHBondContact OG1-CB 3.25Å; T13-D15 PolarHBondContact OG1-N 3.43Å; T13-D15 PolarHBondContact OG1-OD2 3.41Å | ||
| 14 | G | 91.9 | Very high | 90.1 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 94.3 | -9.1 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 S12 | M1-G14 VanDerWaalsContact CB-O 3.3Å; M1-G14 WeakPolarHBondContact CB-O 3.42Å; M1-G14 VanDerWaalsContact CG-O 3.24Å; M1-G14 WeakPolarHBondContact CG-O 3.46Å; S12-G14 PolarHBondContact O-N 3.01Å |
| 15 | D | 93.9 | Very high | 89.9 | Confident | 98 Ų | 98 | 52.3 Ų | 52.3 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -93.6 | 145.8 | -174.9 | -45.2 | -56.4 | 0 | 0 | 0 | 112.1 | Q5 T13 N17 T20 | Q5-D15 PolarHBondContact NE2-O 2.93Å; T13-D15 VanDerWaalsContact CB-OD2 3.23Å; T13-D15 WeakPolarHBondContact CB-OD2 3.2Å; T13-D15 WeakPolarHBondContact OG1-CB 3.25Å; T13-D15 PolarHBondContact OG1-N 3.43Å; T13-D15 PolarHBondContact OG1-OD2 3.41Å; D15-N17 PolarHBondContact O-N 3.48Å; D15-T20 PolarHBondContact O-OG1 3.3Å |
| 16 | L | 92.8 | Very high | 89.7 | Confident | 104 Ų | 104 | 56 Ų | 56 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | trans | -78.9 | 64 | 170.9 | -170.2 | 62.1 | 0 | 0 | 0 | 110.6 | M1 T20 I21 M24 | M1-L16 HydrophobicContact CE-CB 4.3Å; M1-L16 HydrophobicContact CE-CD1 3.86Å; M1-L16 HydrophobicContact SD-CD1 4.46Å; L16-T20 HydrophobicContact CD1-CG2 4.05Å; L16-I21 HydrophobicContact CD1-CG1 3.69Å; L16-I21 HydrophobicContact CG-CD1 4.12Å; L16-I21 HydrophobicContact CG-CG1 3.79Å; L16-M24 HydrophobicContact CD1-CE 4.29Å; L16-M24 HydrophobicContact CD1-SD 3.71Å | ||
| 17 | N | 92.7 | Very high | 89.7 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -80.2 | 170.6 | 178.1 | 62 | 39 | 0 | 0 | 0 | 112.2 | D15 S19 T20 I21 | D15-N17 PolarHBondContact O-N 3.48Å; N17-S19 PolarHBondContact O-N 3.24Å; N17-S19 WeakPolarHBondContact OD1-CB 3.36Å; N17-S19 PolarHBondContact OD1-N 3.25Å; N17-T20 WeakPolarHBondContact O-CB 3.44Å; N17-T20 PolarHBondContact O-N 2.78Å; N17-T20 WeakPolarHBondContact OD1-CB 3.14Å; N17-T20 PolarHBondContact OD1-N 2.71Å; N17-T20 PolarHBondContact OD1-OG1 3.17Å; N17-I21 WeakPolarHBondContact O-CG1 3.39Å; N17-I21 PolarHBondContact O-N 3.17Å | ||
| 18 | A | 93.1 | Very high | 89.8 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 72% | 0.719 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.3 | -36.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G22 | A18-G22 PolarHBondContact O-N 3.49Å |
| 19 | S | 92.3 | Very high | 89.7 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | N17 G22 K23 | N17-S19 PolarHBondContact O-N 3.24Å; N17-S19 WeakPolarHBondContact OD1-CB 3.36Å; N17-S19 PolarHBondContact OD1-N 3.25Å; S19-G22 PolarHBondContact O-N 2.91Å; S19-K23 PolarHBondContact O-N 2.78Å |
| 20 | T | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | M1 F4 Q5 I10 D15 L16 N17 G22 K23 M24 | M1-T20 HydrophobicContact CG-CG2 4.49Å; M1-T20 HydrophobicContact SD-CG2 3.61Å; F4-T20 HydrophobicContact CD1-CG2 3.93Å; F4-T20 HydrophobicContact CE1-CG2 3.89Å; Q5-T20 HydrophobicContact CG-CG2 4.03Å; Q5-T20 PolarHBondContact NE2-OG1 2.92Å; I10-T20 HydrophobicContact CD1-CG2 4.48Å; D15-T20 PolarHBondContact O-OG1 3.3Å; L16-T20 HydrophobicContact CD1-CG2 4.05Å; N17-T20 WeakPolarHBondContact O-CB 3.44Å; N17-T20 PolarHBondContact O-N 2.78Å; N17-T20 WeakPolarHBondContact OD1-CB 3.14Å; N17-T20 PolarHBondContact OD1-N 2.71Å; N17-T20 PolarHBondContact OD1-OG1 3.17Å; T20-G22 VanDerWaalsContact C-N 3.32Å; T20-G22 PolarHBondContact O-N 3.37Å; T20-K23 PolarHBondContact O-N 3.41Å; T20-M24 HydrophobicContact CG2-CE 4.02Å; T20-M24 HydrophobicContact CG2-SD 4.32Å; T20-M24 VanDerWaalsContact O-CG 3.32Å; T20-M24 WeakPolarHBondContact O-CG 3.15Å; T20-M24 PolarHBondContact O-N 3.27Å |
| 21 | I | 90.9 | Very high | 89.1 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.7 | -64.6 | 169.6 | 0 | 0 | 0 | 110.5 | L16 N17 K23 M24 R25 | L16-I21 HydrophobicContact CD1-CG1 3.69Å; L16-I21 HydrophobicContact CG-CD1 4.12Å; L16-I21 HydrophobicContact CG-CG1 3.79Å; N17-I21 WeakPolarHBondContact O-CG1 3.39Å; N17-I21 PolarHBondContact O-N 3.17Å; I21-K23 VanDerWaalsContact C-N 3.33Å; I21-K23 PolarHBondContact O-N 2.84Å; I21-M24 PolarHBondContact O-N 3.25Å; I21-R25 WeakPolarHBondContact O-CG 3.46Å; I21-R25 PolarHBondContact O-N 2.88Å |
| 22 | G | 90 | Very high | 88.8 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.5 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A18 S19 T20 R25 Q26 | A18-G22 PolarHBondContact O-N 3.49Å; S19-G22 PolarHBondContact O-N 2.91Å; T20-G22 VanDerWaalsContact C-N 3.32Å; T20-G22 PolarHBondContact O-N 3.37Å; G22-R25 PolarHBondContact O-N 3.07Å; G22-Q26 WeakPolarHBondContact O-CG 3.2Å |
| 23 | K | 89 | Confident | 88.4 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175 | -71.6 | -63.5 | -166.3 | 164.4 | 0 | 112.9 | F4 A8 I10 S19 T20 I21 R25 Q26 I207 | F4-K23 HydrophobicContact CE1-CB 3.96Å; F4-K23 HydrophobicContact CZ-CB 3.72Å; A8-K23 HydrophobicContact CB-CB 3.96Å; A8-K23 HydrophobicContact CB-CD 4.18Å; A8-K23 HydrophobicContact CB-CG 3.93Å; A8-K23 WeakPolarHBondContact O-CE 3.49Å; A8-K23 PolarHBondContact O-NZ 3.34Å; I10-K23 HydrophobicContact CD1-CB 4.35Å; I10-K23 HydrophobicContact CD1-CG 3.98Å; I10-K23 HydrophobicContact CG2-CD 4.36Å; I10-K23 HydrophobicContact CG2-CG 3.8Å; S19-K23 PolarHBondContact O-N 2.78Å; T20-K23 PolarHBondContact O-N 3.41Å; I21-K23 VanDerWaalsContact C-N 3.33Å; I21-K23 PolarHBondContact O-N 2.84Å; K23-R25 PolarHBondContact O-N 3.49Å; K23-Q26 WeakPolarHBondContact O-CB 3.48Å; K23-Q26 PolarHBondContact O-N 3.09Å; K23-I207 HydrophobicContact CD-CD1 3.94Å |
| 24 | M | 87.6 | Confident | 87.4 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -29.4 | 178.8 | -74.9 | -178.5 | 165.6 | 0 | 0 | 112.9 | M1 F4 L16 T20 I21 Q26 | M1-M24 HydrophobicContact CE-CE 3.71Å; M1-M24 HydrophobicContact SD-CE 3.36Å; M1-M24 WeakPolarHBondContact SD-CE 3.23Å; F4-M24 HydrophobicContact CD1-CE 3.61Å; F4-M24 HydrophobicContact CD1-CG 4.05Å; F4-M24 HydrophobicContact CE1-CB 4.48Å; F4-M24 HydrophobicContact CE1-CE 3.91Å; F4-M24 HydrophobicContact CE1-CG 3.38Å; F4-M24 HydrophobicContact CE1-SD 4.45Å; F4-M24 HydrophobicContact CE2-CG 4.12Å; F4-M24 HydrophobicContact CG-CE 4.03Å; F4-M24 HydrophobicContact CZ-CB 4.19Å; F4-M24 HydrophobicContact CZ-CG 3.41Å; F4-M24 VanDerWaalsContact CZ-CG 3.41Å; L16-M24 HydrophobicContact CD1-CE 4.29Å; L16-M24 HydrophobicContact CD1-SD 3.71Å; T20-M24 HydrophobicContact CG2-CE 4.02Å; T20-M24 HydrophobicContact CG2-SD 4.32Å; T20-M24 VanDerWaalsContact O-CG 3.32Å; T20-M24 WeakPolarHBondContact O-CG 3.15Å; T20-M24 PolarHBondContact O-N 3.27Å; I21-M24 PolarHBondContact O-N 3.25Å; M24-Q26 VanDerWaalsContact C-N 3.29Å |
| 25 | R | 85.5 | Confident | 85.9 | Confident | 193 Ų | 193 | 59.8 Ų | 59.8 | 73% | 0.728 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.8 | 176 | -69.7 | 174.3 | 177.8 | -179 | 0.1 | 113.5 | I21 G22 K23 | I21-R25 WeakPolarHBondContact O-CG 3.46Å; I21-R25 PolarHBondContact O-N 2.88Å; G22-R25 PolarHBondContact O-N 3.07Å; K23-R25 PolarHBondContact O-N 3.49Å |
| 26 | Q | 85.9 | Confident | 83.5 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -71.2 | 153.7 | 176.3 | -63.1 | -171.6 | -44.2 | 0 | 0 | 110.5 | G22 K23 M24 I207 | G22-Q26 WeakPolarHBondContact O-CG 3.2Å; K23-Q26 WeakPolarHBondContact O-CB 3.48Å; K23-Q26 PolarHBondContact O-N 3.09Å; M24-Q26 VanDerWaalsContact C-N 3.29Å; Q26-I207 HydrophobicContact CB-CG2 3.84Å |
| 27 | R | 86.3 | Confident | 81 | Confident | 45 Ų | 45 | 69 Ų | 69 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | trans | -64.2 | 134.1 | 174.8 | -73 | 171.1 | 159.3 | 132.7 | 10.6 | 109.9 | N139 L141 G176 N177 Y208 | R27-N139 VanDerWaalsContact CA-ND2 3.33Å; R27-N139 WeakPolarHBondContact CA-ND2 3.32Å; R27-N139 WeakPolarHBondContact CG-ND2 3.41Å; R27-N139 PolarHBondContact N-ND2 3.49Å; R27-L141 HydrophobicContact CB-CD1 3.82Å; R27-L141 HydrophobicContact CB-CG 4.36Å; R27-L141 HydrophobicContact CG-CD1 3.93Å; R27-L141 HydrophobicContact CG-CD2 4.32Å; R27-L141 HydrophobicContact CG-CG 4.37Å; R27-G176 VanDerWaalsContact CZ-O 3.32Å; R27-G176 PolarHBondContact NH1-O 3.41Å; R27-G176 PolarHBondContact NH2-O 3.37Å; R27-N177 PolarHBondContact NH1-O 2.89Å; R27-Y208 HydrophobicContact CB-CD2 4.05Å; R27-Y208 PolarHBondContact O-N 2.87Å | ||
| 28 | R | 87.5 | Confident | 79 | Confident | 53 Ų | 53 | 70 Ų | 70 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -150.8 | 161.3 | -176.1 | 62.6 | 175.3 | -60.5 | 167.3 | 11.5 | 112.5 | F4 D33 P206 Y208 | F4-R28 VanDerWaalsContact CD2-NH1 3.29Å; R28-D33 IonicContact CZ-OD2 2.7Å; R28-D33 IonicContact NH1-OD2 2.82Å; R28-D33 IonicContact NH2-OD1 3.94Å; R28-D33 PolarHBondContact NH2-OD1 2.8Å; R28-D33 IonicContact NH2-OD2 2.59Å; R28-D33 PolarHBondContact NH2-OD2 3.12Å; R28-P206 CarbonylContact C-O 3.46Å; R28-P206 WeakPolarHBondContact CA-O 3.21Å; R28-P206 WeakPolarHBondContact CB-O 3.4Å; R28-Y208 WeakPolarHBondContact O-CE2 3.28Å |
| 29 | C | 85.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | trans | -64.9 | 142.2 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | I31 H186 E187 H196 P206 Y208 | C29-I31 PolarHBondContact O-N 3.33Å; C29-I31 PolarHBondContact SG-N 3.06Å; C29-I31 VanDerWaalsContact SG-N 3.41Å; C29-H186 WeakPolarHBondContact CB-NE2 3.28Å; C29-E187 PolarHBondContact SG-OE1 3.43Å; C29-E187 VanDerWaalsContact SG-OE1 3.34Å; C29-H196 WeakPolarHBondContact CB-NE2 3.32Å; C29-P206 PolarHBondContact N-O 3.34Å; C29-Y208 WeakPolarHBondContact CA-OH 3.46Å; C29-Y208 HydrophobicContact CB-CE1 4.19Å; C29-Y208 WeakPolarHBondContact CB-OH 3.44Å | ||
| 30 | G | 82 | Confident | 75.3 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -72.9 | -13.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A142 | G30-A142 PolarHBondContact N-O 3.49Š|
| 31 | I | 83.5 | Confident | 73.8 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -71.6 | 137.6 | 179.5 | -60.1 | -175.4 | 0 | 0 | 0 | 110.4 | C29 D33 T144 Y146 H190 H196 | C29-I31 PolarHBondContact O-N 3.33Å; C29-I31 PolarHBondContact SG-N 3.06Å; C29-I31 VanDerWaalsContact SG-N 3.41Å; I31-D33 PolarHBondContact O-N 2.89Å; I31-T144 VanDerWaalsContact CD1-O 3.23Å; I31-T144 WeakPolarHBondContact CD1-O 3.37Å; I31-Y146 HydrophobicContact CD1-CE2 3.84Å; I31-Y146 HydrophobicContact CG2-CE2 4Å; I31-H190 HydrophobicContact CD1-CB 3.93Å; I31-H190 WeakPolarHBondContact CD1-CD2 3.39Å; I31-H190 VanDerWaalsContact CD1-CG 3.47Å; I31-H196 PolarHBondContact O-CE1 2.94Å |
| 32 | A | 83 | Confident | 71.9 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | trans | -62.2 | 129.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V34 | A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.09Å | ||
| 33 | D | 81.1 | Confident | 70.2 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -59.2 | -34.8 | 178.7 | -66.2 | -27.6 | 0 | 0 | 0 | 113.6 | M7 R28 I31 H196 P206 | M7-D33 HydrophobicContact CE-CB 4.42Å; M7-D33 HydrophobicContact CG-CB 4.1Å; R28-D33 IonicContact CZ-OD2 2.7Å; R28-D33 IonicContact NH1-OD2 2.82Å; R28-D33 IonicContact NH2-OD1 3.94Å; R28-D33 PolarHBondContact NH2-OD1 2.8Å; R28-D33 IonicContact NH2-OD2 2.59Å; R28-D33 PolarHBondContact NH2-OD2 3.12Å; I31-D33 PolarHBondContact O-N 2.89Å; D33-H196 IonicContact OD1-CE1 3.76Å; D33-H196 IonicContact OD1-ND1 3.34Å; D33-H196 PolarHBondContact OD1-ND1 2.99Å; D33-P206 WeakPolarHBondContact OD1-CB 3.12Å |
| 34 | V | 69.3 | Low | 68.9 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 38% | 0.376 | 37% | 0.374 | S | S | . | . | trans | -118.3 | 101.8 | 179.3 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | V3 A32 F36 | V3-V34 HydrophobicContact CB-CG2 4.3Å; V3-V34 HydrophobicContact CG1-CG2 3.35Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.09Å; V34-F36 HydrophobicContact CB-CE2 4.49Å; V34-F36 HydrophobicContact CG1-CD1 4.49Å; V34-F36 HydrophobicContact CG1-CD2 4.1Å; V34-F36 HydrophobicContact CG1-CE1 4.44Å; V34-F36 HydrophobicContact CG1-CE2 4.05Å; V34-F36 HydrophobicContact CG1-CG 4.33Å; V34-F36 HydrophobicContact CG1-CZ 4.22Å; V34-F36 PolarHBondContact O-N 2.92Å | ||
| 35 | Q | 61.1 | Low | 68.6 | Low | 54 Ų | 54 | 75.6 Ų | 75.6 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | trans | -87 | 103 | 164.9 | -62.9 | -173.2 | 29.9 | 0 | 0 | 107.4 | K37 K38 Y146 | Q35-K37 PolarHBondContact O-N 3.4Å; Q35-K38 HydrophobicContact CB-CB 4.01Å; Q35-K38 HydrophobicContact CB-CG 4.32Å; Q35-K38 PolarHBondContact O-N 3.16Å; Q35-Y146 VanDerWaalsContact NE2-CE2 3.32Å; Q35-Y146 PolarHBondContact NE2-OH 3.38Å | ||
| 36 | F | 42.6 | Very low | 68.7 | Low | 195 Ų | 195 | 69.6 Ų | 69.6 | 86% | 0.855 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 3.3 | -173.7 | -84.7 | -84.7 | 0 | 0 | 0 | 116.2 | V34 | V34-F36 HydrophobicContact CB-CE2 4.49Å; V34-F36 HydrophobicContact CG1-CD1 4.49Å; V34-F36 HydrophobicContact CG1-CD2 4.1Å; V34-F36 HydrophobicContact CG1-CE1 4.44Å; V34-F36 HydrophobicContact CG1-CE2 4.05Å; V34-F36 HydrophobicContact CG1-CG 4.33Å; V34-F36 HydrophobicContact CG1-CZ 4.22Å; V34-F36 PolarHBondContact O-N 2.92Å |
| 37 | K | 41.1 | Very low | 69 | Low | 201 Ų | 201 | 67 Ų | 67 | 87% | 0.874 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 3 | 174.5 | -64.6 | -173.9 | 179.3 | 177.9 | 0 | 114.9 | Q35 | Q35-K37 PolarHBondContact O-N 3.4Š|
| 38 | K | 50.7 | Low | 69.1 | Low | 73 Ų | 73 | 70.1 Ų | 70.1 | 32% | 0.317 | 35% | 0.346 | S | S | . | . | trans | -120 | 111.7 | 179.5 | -54.9 | -160.2 | -161.6 | 172.2 | 0 | 109.5 | Q35 S45 | Q35-K38 HydrophobicContact CB-CB 4.01Å; Q35-K38 HydrophobicContact CB-CG 4.32Å; Q35-K38 PolarHBondContact O-N 3.16Å; K38-S45 PolarHBondContact NZ-OG 2.84Å | ||
| 39 | K | 49 | Very low | 69.1 | Low | 156 Ų | 156 | 71.6 Ų | 71.6 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | trans | -59.3 | 147.6 | 165.5 | -66.8 | -176 | 179.6 | -179.5 | 0 | 107.8 | F41 S42 | K39-F41 PolarHBondContact O-N 3.1Å; K39-S42 WeakPolarHBondContact O-CA 3.44Å; K39-S42 WeakPolarHBondContact O-CB 3.22Å; K39-S42 PolarHBondContact O-N 2.82Å | ||
| 40 | R | 58.3 | Low | 69.4 | Low | 19 Ų | 19 | 75.5 Ų | 75.5 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -32.2 | 171.7 | -174.3 | 177.5 | 175.9 | -166.9 | -9.6 | 113.1 | H196 S197 D221 D222 | R40-H196 VanDerWaalsContact CD-O 3.27Å; R40-H196 WeakPolarHBondContact CD-O 3.43Å; R40-H196 PolarHBondContact NE-O 2.93Å; R40-S197 VanDerWaalsContact CZ-CB 3.4Å; R40-S197 PolarHBondContact NH1-OG 3.47Å; R40-S197 VanDerWaalsContact NH1-OG 3.14Å; R40-S197 PolarHBondContact NH2-OG 3.25Å; R40-D221 IonicContact CZ-OD1 3.72Å; R40-D221 VanDerWaalsContact CZ-OD1 3.25Å; R40-D221 IonicContact CZ-OD2 3.72Å; R40-D221 IonicContact NH1-OD1 3.88Å; R40-D221 PolarHBondContact NH1-OD1 3.31Å; R40-D221 IonicContact NH1-OD2 2.7Å; R40-D221 PolarHBondContact NH1-OD2 3.08Å; R40-D221 IonicContact NH2-OD1 3Å; R40-D221 PolarHBondContact NH2-OD1 3.04Å; R40-D221 IonicContact NH2-OD2 3.6Å; R40-D221 PolarHBondContact NH2-OD2 3.47Å; R40-D222 IonicContact NH2-OD1 3.2Å |
| 41 | F | 58.7 | Low | 69.9 | Low | 12 Ų | 12 | 76.2 Ų | 76.2 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 32.6 | 175.3 | -55.8 | -15.2 | 0 | 0 | 0 | 112.8 | K39 K43 A225 W228 W241 | K39-F41 PolarHBondContact O-N 3.1Å; F41-K43 PolarHBondContact O-N 3.47Å; F41-A225 HydrophobicContact CD1-CB 3.7Å; F41-A225 VanDerWaalsContact CE1-CA 3.48Å; F41-A225 HydrophobicContact CE1-CB 3.46Å; F41-A225 VanDerWaalsContact CE1-CB 3.46Å; F41-A225 HydrophobicContact CZ-CB 4.49Å; F41-W228 HydrophobicContact CB-CB 4.43Å; F41-W228 HydrophobicContact CB-CD2 4.34Å; F41-W228 HydrophobicContact CB-CG 3.94Å; F41-W228 HydrophobicContact CD2-CB 4.49Å; F41-W228 AromaticContact CD2-CD2 3.89Å; F41-W228 HydrophobicContact CD2-CD2 3.89Å; F41-W228 HydrophobicContact CD2-CE3 4.05Å; F41-W228 HydrophobicContact CD2-CG 4.12Å; F41-W228 HydrophobicContact CE2-CE3 4.27Å; F41-W228 HydrophobicContact CG-CB 4.46Å; F41-W228 HydrophobicContact CG-CD2 4.46Å; F41-W228 HydrophobicContact CG-CG 4.25Å; F41-W241 HydrophobicContact CD2-CB 4.02Å; F41-W241 AromaticContact CD2-CD1 3.47Å; F41-W241 VanDerWaalsContact CD2-CD1 3.47Å; F41-W241 AromaticContact CD2-CG 3.75Å; F41-W241 HydrophobicContact CD2-CG 3.75Å; F41-W241 HydrophobicContact CE2-CB 3.3Å; F41-W241 AromaticContact CE2-CD1 3.31Å; F41-W241 AromaticContact CE2-CG 3.45Å; F41-W241 HydrophobicContact CE2-CG 3.45Å; F41-W241 VanDerWaalsContact CE2-CG 3.45Å; F41-W241 HydrophobicContact CZ-CB 3.85Å; F41-W241 AromaticContact CZ-CD1 3.54Å; F41-W241 HydrophobicContact CZ-CG 4Å |
| 42 | S | 52.9 | Low | 70.4 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | trans | -70 | 126.4 | -173.6 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | K39 L44 N229 | K39-S42 WeakPolarHBondContact O-CA 3.44Å; K39-S42 WeakPolarHBondContact O-CB 3.22Å; K39-S42 PolarHBondContact O-N 2.82Å; S42-L44 PolarHBondContact O-N 2.71Å; S42-L44 PolarHBondContact OG-N 3.06Å; S42-N229 PolarHBondContact O-OD1 3.46Å | ||
| 43 | K | 53.7 | Low | 70.9 | Confident | 147 Ų | 147 | 79 Ų | 79 | 64% | 0.639 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -6.7 | 175.2 | -64.6 | -175.2 | 176.5 | -176.3 | 0 | 114.9 | F41 | F41-K43 PolarHBondContact O-N 3.47Š|
| 44 | L | 62 | Low | 71.4 | Confident | 119 Ų | 119 | 83.9 Ų | 83.9 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -26.3 | -167.2 | -64.3 | 172.3 | 0 | 0 | 0 | 113.6 | S42 | S42-L44 PolarHBondContact O-N 2.71Å; S42-L44 PolarHBondContact OG-N 3.06Å |
| 45 | S | 81 | Confident | 72.6 | Confident | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -118.2 | 85.6 | -174.9 | -72.5 | 0 | 0 | 0 | 0 | 109.2 | K38 P147 G193 N229 | K38-S45 PolarHBondContact NZ-OG 2.84Å; S45-P147 WeakPolarHBondContact CA-O 2.92Å; S45-G193 VanDerWaalsContact O-CA 3.24Å; S45-G193 WeakPolarHBondContact O-CA 3.5Å; S45-N229 PolarHBondContact O-ND2 3.5Å |
| 46 | K | 88.1 | Confident | 74.2 | Confident | 66 Ų | 66 | 80 Ų | 80 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -146.3 | 150.8 | 178 | 63.7 | 176.2 | -179.3 | 169.3 | 0 | 109.7 | L48 N148 Y230 | K46-L48 HydrophobicContact CD-CD2 4.28Å; K46-L48 HydrophobicContact CG-CD2 3.96Å; K46-L48 PolarHBondContact O-N 3.22Å; K46-N148 PolarHBondContact O-ND2 2.59Å; K46-Y230 HydrophobicContact CB-CD1 4.49Å; K46-Y230 HydrophobicContact CB-CE1 3.87Å |
| 47 | W | 91.8 | Very high | 76.8 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 9% | 0.087 | 37% | 0.366 | C | S | . | . | trans | -67.1 | 101.6 | 175.2 | -69.9 | 105.7 | 0 | 0 | 0 | 112.2 | K50 L57 L59 D112 I113 P147 N156 A191 Y230 | W47-K50 HydrophobicContact CB-CB 3.96Å; W47-K50 HydrophobicContact CB-CG 4.16Å; W47-K50 HydrophobicContact CE3-CG 4.45Å; W47-L57 HydrophobicContact CB-CD1 3.76Å; W47-L57 HydrophobicContact CG-CD1 4.43Å; W47-L59 HydrophobicContact CB-CD2 4.21Å; W47-L59 VanDerWaalsContact CD1-CD1 3.48Å; W47-L59 HydrophobicContact CD2-CD2 3.62Å; W47-L59 HydrophobicContact CE3-CD2 4.16Å; W47-L59 HydrophobicContact CG-CD1 4.15Å; W47-L59 HydrophobicContact CG-CD2 3.64Å; W47-L59 HydrophobicContact CZ2-CD2 4.37Å; W47-D112 HydrophobicContact CH2-CB 3.98Å; W47-D112 WeakPolarHBondContact CH2-O 3.23Å; W47-D112 HydrophobicContact CZ2-CB 4.34Å; W47-D112 HydrophobicContact CZ3-CB 4.38Å; W47-I113 HydrophobicContact CZ2-CG1 3.98Å; W47-P147 HydrophobicContact CD2-CB 3.98Å; W47-P147 HydrophobicContact CD2-CG 4.23Å; W47-P147 HydrophobicContact CG-CB 4.09Å; W47-P147 HydrophobicContact CG-CG 4.18Å; W47-P147 HydrophobicContact CZ2-CG 4.48Å; W47-N156 HydrophobicContact CH2-CB 4.19Å; W47-N156 WeakPolarHBondContact CH2-O 3.45Å; W47-N156 WeakPolarHBondContact CZ2-O 3.36Å; W47-N156 HydrophobicContact CZ3-CB 4.39Å; W47-A191 PolarHBondContact NE1-O 2.95Å; W47-Y230 HydrophobicContact CB-CE1 4.43Å | ||
| 48 | L | 86.9 | Confident | 79.5 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 137.8 | 179.1 | -63.5 | 177.7 | 0 | 0 | 0 | 110.5 | K46 K50 | K46-L48 HydrophobicContact CD-CD2 4.28Å; K46-L48 HydrophobicContact CG-CD2 3.96Å; K46-L48 PolarHBondContact O-N 3.22Å; L48-K50 PolarHBondContact O-N 3.13Å; L48-K50 VanDerWaalsContact O-N 3.07Å |
| 49 | G | 88.2 | Confident | 81.7 | Confident | 85 Ų | 85 | 64 Ų | 64 | 88% | 0.876 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -9.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 50 | K | 92.8 | Very high | 84 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | trans | -89.4 | -10.6 | 177.3 | -63.1 | -72.3 | -172.2 | 156.1 | 0 | 113.9 | W47 L48 L57 R58 L59 D112 | W47-K50 HydrophobicContact CB-CB 3.96Å; W47-K50 HydrophobicContact CB-CG 4.16Å; W47-K50 HydrophobicContact CE3-CG 4.45Å; L48-K50 PolarHBondContact O-N 3.13Å; L48-K50 VanDerWaalsContact O-N 3.07Å; K50-L57 HydrophobicContact CB-CD1 3.65Å; K50-R58 PolarHBondContact O-N 3.38Å; K50-L59 HydrophobicContact CB-CD2 4.37Å; K50-L59 HydrophobicContact CG-CD2 4.29Å; K50-D112 WeakPolarHBondContact CE-OD1 3.34Å; K50-D112 VanDerWaalsContact NZ-CG 3.34Å; K50-D112 IonicContact NZ-OD1 3.04Å; K50-D112 PolarHBondContact NZ-OD1 3.17Å; K50-D112 IonicContact NZ-OD2 2.84Å; K50-D112 PolarHBondContact NZ-OD2 3.41Å | ||
| 51 | M | 92.9 | Very high | 85.9 | Confident | 49 Ų | 49 | 59 Ų | 59 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 121.8 | 173.8 | -174 | 62.9 | 74 | 0 | 0 | 110.1 | D55 L57 Y230 | M51-D55 VanDerWaalsContact SD-CA 3.54Å; M51-L57 HydrophobicContact CE-CB 3.75Å; M51-L57 HydrophobicContact SD-CB 4.17Å; M51-Y230 VanDerWaalsContact CE-CB 3.48Å; M51-Y230 HydrophobicContact CE-CD1 3.41Å; M51-Y230 VanDerWaalsContact CE-CD1 3.41Å; M51-Y230 HydrophobicContact CE-CE1 4.43Å; M51-Y230 HydrophobicContact CE-CG 3.67Å |
| 52 | S | 94.1 | Very high | 87.7 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | trans | -73.7 | 167.4 | 173.8 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | H54 D55 V56 | S52-H54 PolarHBondContact O-N 3.15Å; S52-H54 VanDerWaalsContact O-N 3.09Å; S52-H54 PolarHBondContact OG-N 3.02Å; S52-D55 PolarHBondContact O-N 3.32Å; S52-V56 PolarHBondContact N-O 3.23Å; S52-V56 WeakPolarHBondContact OG-CB 3.37Å; S52-V56 PolarHBondContact OG-N 3.25Å; S52-V56 VanDerWaalsContact OG-N 3.11Å; S52-V56 PolarHBondContact OG-O 3.49Å; S52-V56 VanDerWaalsContact OG-O 3.12Å | ||
| 53 | S | 92.2 | Very high | 89.8 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16 | 173.4 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 54 | H | 92.6 | Very high | 91.9 | Very high | 141 Ų | 141 | 56 Ų | 56 | 65% | 0.653 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 23.9 | -179.1 | -57.1 | 100.7 | 0 | 0 | 0 | 113 | S52 V56 | S52-H54 PolarHBondContact O-N 3.15Å; S52-H54 VanDerWaalsContact O-N 3.09Å; S52-H54 PolarHBondContact OG-N 3.02Å; H54-V56 PolarHBondContact O-N 3Å |
| 55 | D | 93.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 62.2 | 23.2 | 177.4 | -50.1 | -61.3 | 0 | 0 | 0 | 115.6 | M51 S52 R96 K99 I231 | M51-D55 VanDerWaalsContact SD-CA 3.54Å; S52-D55 PolarHBondContact O-N 3.32Å; D55-R96 IonicContact OD1-CZ 3.74Å; D55-R96 IonicContact OD1-NE 3.19Å; D55-R96 PolarHBondContact OD1-NE 2.85Å; D55-R96 IonicContact OD1-NH1 3.31Å; D55-R96 PolarHBondContact OD1-NH1 3.2Å; D55-R96 IonicContact OD1-NH2 3.57Å; D55-R96 PolarHBondContact OD1-NH2 2.91Å; D55-R96 IonicContact OD2-CZ 3.31Å; D55-R96 IonicContact OD2-NE 3.62Å; D55-R96 PolarHBondContact OD2-NE 2.81Å; D55-R96 IonicContact OD2-NH2 3.28Å; D55-R96 PolarHBondContact OD2-NH2 3.04Å; D55-K99 PolarHBondContact O-N 3.45Å; D55-I231 HydrophobicContact CB-CD1 3.64Å; D55-I231 WeakPolarHBondContact OD1-CD1 3.39Å |
| 56 | V | 96 | Very high | 94.3 | Very high | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116 | 173.3 | -169.5 | 0 | 0 | 0 | 0 | 109.1 | S52 H54 R58 K99 E101 | S52-V56 PolarHBondContact N-O 3.23Å; S52-V56 WeakPolarHBondContact OG-CB 3.37Å; S52-V56 PolarHBondContact OG-N 3.25Å; S52-V56 VanDerWaalsContact OG-N 3.11Å; S52-V56 PolarHBondContact OG-O 3.49Å; S52-V56 VanDerWaalsContact OG-O 3.12Å; H54-V56 PolarHBondContact O-N 3Å; V56-R58 HydrophobicContact CG1-CG 4.01Å; V56-K99 CarbonylContact C-O 3.54Å; V56-K99 WeakPolarHBondContact CA-O 2.92Å; V56-K99 HydrophobicContact CG2-CB 4.21Å; V56-K99 HydrophobicContact CG2-CD 4.27Å; V56-E101 HydrophobicContact CG1-CB 4.17Å; V56-E101 HydrophobicContact CG1-CG 3.71Å; V56-E101 VanDerWaalsContact CG1-OE1 3.28Å; V56-E101 WeakPolarHBondContact CG1-OE1 3.34Å |
| 57 | L | 96.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.3 | 166.9 | 179.9 | 61 | 0 | 0 | 0 | 108.7 | W47 K50 M51 L59 K99 L100 E101 L192 Y230 | W47-L57 HydrophobicContact CB-CD1 3.76Å; W47-L57 HydrophobicContact CG-CD1 4.43Å; K50-L57 HydrophobicContact CB-CD1 3.65Å; M51-L57 HydrophobicContact CE-CB 3.75Å; M51-L57 HydrophobicContact SD-CB 4.17Å; L57-L59 HydrophobicContact CD1-CD1 4.47Å; L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD1-CG 4.24Å; L57-L59 HydrophobicContact CD2-CD1 3.86Å; L57-L59 HydrophobicContact CD2-CG 4.42Å; L57-L59 HydrophobicContact CG-CD1 4.04Å; L57-L59 HydrophobicContact CG-CG 4.04Å; L57-K99 PolarHBondContact N-O 3Å; L57-L100 HydrophobicContact CB-CD2 3.88Å; L57-L100 HydrophobicContact CD2-CD2 3.91Å; L57-L100 HydrophobicContact CG-CD2 4.4Å; L57-E101 PolarHBondContact O-N 3.31Å; L57-L192 HydrophobicContact CD2-CD2 3.98Å; L57-Y230 HydrophobicContact CD1-CE1 4.23Å; L57-Y230 HydrophobicContact CD2-CD1 4.09Å; L57-Y230 HydrophobicContact CD2-CD2 4.41Å; L57-Y230 HydrophobicContact CD2-CE1 3.53Å; L57-Y230 HydrophobicContact CD2-CE2 3.92Å; L57-Y230 VanDerWaalsContact CD2-CZ 3.46Å; L57-Y230 HydrophobicContact CG-CE1 4.46Å |
| 58 | R | 97.2 | Very high | 94.9 | Very high | 130 Ų | 130 | 62.3 Ų | 62.3 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.8 | 178.2 | -66.9 | 172.8 | -176.2 | -75 | -20.6 | 109.3 | K50 V56 E101 | K50-R58 PolarHBondContact O-N 3.38Å; V56-R58 HydrophobicContact CG1-CG 4.01Å; R58-E101 WeakPolarHBondContact CA-O 3.08Å; R58-E101 HydrophobicContact CG-CB 4.18Å; R58-E101 IonicContact CZ-OE1 2.55Å; R58-E101 IonicContact CZ-OE2 3.6Å; R58-E101 IonicContact NH1-OE1 2.73Å; R58-E101 IonicContact NH1-OE2 3.85Å; R58-E101 PolarHBondContact NH1-OE2 3.47Å; R58-E101 IonicContact NH2-OE1 2.62Å; R58-E101 PolarHBondContact NH2-OE1 2.87Å; R58-E101 IonicContact NH2-OE2 2.83Å; R58-E101 PolarHBondContact NH2-OE2 3.46Å |
| 59 | L | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.7 | 177.9 | -63.1 | 170.6 | 0 | 0 | 0 | 110.7 | W47 K50 L57 E101 F102 S103 D112 I113 L192 | W47-L59 HydrophobicContact CB-CD2 4.21Å; W47-L59 VanDerWaalsContact CD1-CD1 3.48Å; W47-L59 HydrophobicContact CD2-CD2 3.62Å; W47-L59 HydrophobicContact CE3-CD2 4.16Å; W47-L59 HydrophobicContact CG-CD1 4.15Å; W47-L59 HydrophobicContact CG-CD2 3.64Å; W47-L59 HydrophobicContact CZ2-CD2 4.37Å; K50-L59 HydrophobicContact CB-CD2 4.37Å; K50-L59 HydrophobicContact CG-CD2 4.29Å; L57-L59 HydrophobicContact CD1-CD1 4.47Å; L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD1-CG 4.24Å; L57-L59 HydrophobicContact CD2-CD1 3.86Å; L57-L59 HydrophobicContact CD2-CG 4.42Å; L57-L59 HydrophobicContact CG-CD1 4.04Å; L57-L59 HydrophobicContact CG-CG 4.04Å; L59-E101 PolarHBondContact N-O 3.21Å; L59-F102 HydrophobicContact CB-CD1 3.97Å; L59-F102 HydrophobicContact CB-CE1 4.09Å; L59-F102 HydrophobicContact CD1-CE1 3.99Å; L59-F102 WeakPolarHBondContact O-CA 3.25Å; L59-S103 PolarHBondContact O-N 3.29Å; L59-S103 VanDerWaalsContact O-N 3.15Å; L59-D112 WeakPolarHBondContact CA-OD2 3.47Å; L59-D112 HydrophobicContact CB-CB 4.39Å; L59-D112 HydrophobicContact CD2-CB 3.94Å; L59-I113 HydrophobicContact CD1-CD1 4.22Å; L59-L192 HydrophobicContact CD1-CD2 3.99Å |
| 60 | K | 97.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.1 | 173.8 | -69.6 | 176.5 | 179.1 | 178.1 | 0 | 111 | S103 D110 D112 I113 | K60-S103 CarbonylContact C-O 3.52Å; K60-S103 WeakPolarHBondContact CA-O 2.78Å; K60-S103 WeakPolarHBondContact CG-OG 3.39Å; K60-D110 WeakPolarHBondContact CB-O 3.36Å; K60-D110 VanDerWaalsContact CD-O 3.23Å; K60-D110 WeakPolarHBondContact CD-O 3.42Å; K60-D110 WeakPolarHBondContact CD-OD2 3.27Å; K60-D110 IonicContact NZ-OD1 3.12Å; K60-D110 PolarHBondContact NZ-OD1 3.14Å; K60-D110 IonicContact NZ-OD2 2.81Å; K60-D110 PolarHBondContact NZ-OD2 2.61Å; K60-D112 PolarHBondContact N-OD2 3.31Å; K60-D112 CarbonylContact O-C 3.53Å; K60-D112 WeakPolarHBondContact O-CA 3.27Å; K60-D112 WeakPolarHBondContact O-CB 3.14Å; K60-D112 PolarHBondContact O-N 2.64Å; K60-I113 PolarHBondContact O-N 2.05Å |
| 61 | W | 97.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.4 | 176.6 | 60.7 | -94.9 | 0 | 0 | 0 | 111.4 | I63 R76 V79 R80 F83 S103 E104 S105 I113 | W61-I63 HydrophobicContact CZ3-CD1 4.34Å; W61-I63 HydrophobicContact CZ3-CG1 4.16Å; W61-R76 HydrophobicContact CH2-CG 4.2Å; W61-V79 HydrophobicContact CD2-CG1 3.75Å; W61-V79 HydrophobicContact CE3-CG1 3.47Å; W61-V79 VanDerWaalsContact CE3-CG1 3.47Å; W61-V79 HydrophobicContact CH2-CB 4.35Å; W61-V79 HydrophobicContact CH2-CG1 3.86Å; W61-V79 HydrophobicContact CZ2-CG1 4.11Å; W61-V79 HydrophobicContact CZ3-CB 4.23Å; W61-V79 HydrophobicContact CZ3-CG1 3.52Å; W61-R80 HydrophobicContact CH2-CG 3.89Å; W61-R80 HydrophobicContact CZ2-CG 3.43Å; W61-R80 VanDerWaalsContact CZ2-CG 3.43Å; W61-F83 HydrophobicContact CB-CD2 4.43Å; W61-F83 HydrophobicContact CB-CE2 3.51Å; W61-F83 HydrophobicContact CB-CZ 3.57Å; W61-F83 AromaticContact CD1-CD2 3.41Å; W61-F83 VanDerWaalsContact CD1-CD2 3.41Å; W61-F83 AromaticContact CD1-CE2 3.37Å; W61-F83 AromaticContact CD1-CG 3.97Å; W61-F83 AromaticContact CD1-CZ 3.88Å; W61-F83 HydrophobicContact CD2-CD2 4.11Å; W61-F83 AromaticContact CD2-CE2 3.82Å; W61-F83 HydrophobicContact CD2-CE2 3.82Å; W61-F83 AromaticContact CG-CD2 3.74Å; W61-F83 HydrophobicContact CG-CD2 3.74Å; W61-F83 AromaticContact CG-CE2 3.25Å; W61-F83 HydrophobicContact CG-CE2 3.25Å; W61-F83 AromaticContact CG-CZ 3.79Å; W61-F83 HydrophobicContact CG-CZ 3.79Å; W61-F83 AromaticContact NE1-CD2 3.61Å; W61-F83 AromaticContact NE1-CE2 3.97Å; W61-S103 VanDerWaalsContact CD1-O 3.31Å; W61-S103 PolarHBondContact N-O 3.12Å; W61-E104 HydrophobicContact CD2-CB 4.4Å; W61-E104 HydrophobicContact CD2-CG 4.43Å; W61-E104 HydrophobicContact CE3-CG 4.09Å; W61-E104 HydrophobicContact CH2-CB 3.8Å; W61-E104 VanDerWaalsContact CH2-CD 3.44Å; W61-E104 HydrophobicContact CH2-CG 3.58Å; W61-E104 HydrophobicContact CZ2-CB 3.61Å; W61-E104 HydrophobicContact CZ2-CG 3.93Å; W61-E104 HydrophobicContact CZ3-CB 4.27Å; W61-E104 HydrophobicContact CZ3-CG 3.67Å; W61-E104 CarbonylContact O-C 3.58Å; W61-E104 WeakPolarHBondContact O-CA 3.32Å; W61-S105 PolarHBondContact O-N 2.89Å; W61-I113 CarbonylContact C-O 3.59Å; W61-I113 WeakPolarHBondContact CA-O 3.42Å; W61-I113 HydrophobicContact CB-CB 4.28Å |
| 62 | K | 97.2 | Very high | 96 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.7 | 173.3 | -164.2 | -174.4 | -169.5 | 72.3 | 0 | 110 | A64 S105 S106 S111 I113 D114 I115 | K62-A64 PolarHBondContact O-N 3.14Å; K62-S105 PolarHBondContact NZ-O 2.71Å; K62-S106 PolarHBondContact NZ-O 3.43Å; K62-S111 WeakPolarHBondContact CB-OG 3.28Å; K62-S111 PolarHBondContact N-OG 2.64Å; K62-I113 PolarHBondContact N-O 3.42Å; K62-D114 CarbonylContact O-C 3.52Å; K62-D114 WeakPolarHBondContact O-CA 3.29Å; K62-I115 PolarHBondContact O-N 3Å |
| 63 | I | 97.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 104.1 | 165.1 | -58.3 | 166.5 | 0 | 0 | 0 | 106.9 | W61 Y66 T75 R76 V79 I115 | W61-I63 HydrophobicContact CZ3-CD1 4.34Å; W61-I63 HydrophobicContact CZ3-CG1 4.16Å; I63-Y66 HydrophobicContact CB-CD2 4.41Å; I63-Y66 HydrophobicContact CB-CE1 4.23Å; I63-Y66 HydrophobicContact CB-CE2 3.86Å; I63-Y66 HydrophobicContact CD1-CD1 4.31Å; I63-Y66 HydrophobicContact CD1-CE1 3.45Å; I63-Y66 VanDerWaalsContact CD1-CE1 3.45Å; I63-Y66 WeakPolarHBondContact CD1-OH 3.14Å; I63-Y66 HydrophobicContact CG1-CE1 4.43Å; I63-Y66 HydrophobicContact CG2-CD1 3.91Å; I63-Y66 HydrophobicContact CG2-CD2 3.68Å; I63-Y66 HydrophobicContact CG2-CE1 3.9Å; I63-Y66 HydrophobicContact CG2-CE2 3.65Å; I63-Y66 HydrophobicContact CG2-CG 3.82Å; I63-T75 HydrophobicContact CD1-CG2 4.29Å; I63-R76 HydrophobicContact CD1-CB 4.34Å; I63-V79 HydrophobicContact CD1-CB 4.39Å; I63-V79 HydrophobicContact CD1-CG2 3.84Å; I63-V79 HydrophobicContact CG1-CG2 4.21Å; I63-I115 CarbonylContact C-O 3.6Å; I63-I115 WeakPolarHBondContact CA-O 3.02Å; I63-I115 HydrophobicContact CG1-CB 4.38Å |
| 64 | A | 96.2 | Very high | 96.4 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -39.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K62 D114 I115 L116 | K62-A64 PolarHBondContact O-N 3.14Å; A64-D114 HydrophobicContact CB-CB 4.26Å; A64-I115 PolarHBondContact N-O 2.82Å; A64-L116 HydrophobicContact CB-CD1 4.33Å |
| 65 | K | 97.2 | Very high | 96.6 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 127.3 | 175.9 | -172.6 | 177.9 | 169 | -166.2 | 0 | 110.6 | L116 F117 | K65-L116 HydrophobicContact CB-CD1 3.56Å; K65-L116 HydrophobicContact CD-CD1 4.29Å; K65-F117 WeakPolarHBondContact CD-O 3.35Å; K65-F117 VanDerWaalsContact O-CD2 3.3Å; K65-F117 WeakPolarHBondContact O-CD2 3.48Å; K65-F117 PolarHBondContact O-N 3.03Å |
| 66 | Y | 97.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | trans | -83.2 | 145.7 | 176.3 | -71 | -98.4 | 0 | 0 | 0 | 111.5 | I63 P72 T75 | I63-Y66 HydrophobicContact CB-CD2 4.41Å; I63-Y66 HydrophobicContact CB-CE1 4.23Å; I63-Y66 HydrophobicContact CB-CE2 3.86Å; I63-Y66 HydrophobicContact CD1-CD1 4.31Å; I63-Y66 HydrophobicContact CD1-CE1 3.45Å; I63-Y66 VanDerWaalsContact CD1-CE1 3.45Å; I63-Y66 WeakPolarHBondContact CD1-OH 3.14Å; I63-Y66 HydrophobicContact CG1-CE1 4.43Å; I63-Y66 HydrophobicContact CG2-CD1 3.91Å; I63-Y66 HydrophobicContact CG2-CD2 3.68Å; I63-Y66 HydrophobicContact CG2-CE1 3.9Å; I63-Y66 HydrophobicContact CG2-CE2 3.65Å; I63-Y66 HydrophobicContact CG2-CG 3.82Å; Y66-P72 HydrophobicContact CD1-CB 3.81Å; Y66-P72 HydrophobicContact CD1-CG 4.46Å; Y66-P72 HydrophobicContact CE1-CB 3.86Å; Y66-P72 WeakPolarHBondContact CE1-O 3.3Å; Y66-P72 HydrophobicContact CG-CB 4.28Å; Y66-T75 HydrophobicContact CD1-CG2 4.27Å; Y66-T75 HydrophobicContact CE1-CG2 4.4Å | ||
| 67 | S | 97 | Very high | 96.9 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | trans | -62.1 | 133.7 | 162.1 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | K69 L70 D163 | S67-K69 PolarHBondContact O-N 2.73Å; S67-K69 WeakPolarHBondContact OG-CB 3.38Å; S67-K69 PolarHBondContact OG-N 3.4Å; S67-K69 VanDerWaalsContact OG-N 3.15Å; S67-L70 PolarHBondContact O-N 3.29Å; S67-D163 WeakPolarHBondContact CA-OD1 3.4Å; S67-D163 WeakPolarHBondContact CB-OD1 3.22Å; S67-D163 PolarHBondContact OG-OD1 3.14Å | ||
| 68 | Q | 95.1 | Very high | 97 | Very high | 177 Ų | 177 | 61.7 Ų | 61.7 | 83% | 0.827 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.6 | 172.5 | -62.3 | -61.7 | -39.4 | 0 | 0 | 112.6 | ||
| 69 | K | 94 | Very high | 97 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -11.8 | -179.2 | -58.6 | 166.5 | 178 | 171.8 | 0 | 112.8 | S67 D163 S164 E165 | S67-K69 PolarHBondContact O-N 2.73Å; S67-K69 WeakPolarHBondContact OG-CB 3.38Å; S67-K69 PolarHBondContact OG-N 3.4Å; S67-K69 VanDerWaalsContact OG-N 3.15Å; K69-D163 PolarHBondContact NZ-O 3.23Å; K69-S164 PolarHBondContact NZ-O 3.11Å; K69-S164 VanDerWaalsContact NZ-O 3.07Å; K69-E165 PolarHBondContact NZ-O 3.35Å |
| 70 | L | 95.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -116.4 | 143.3 | -177.9 | -61.3 | 179.2 | 0 | 0 | 0 | 110.4 | S67 P72 T75 F117 W167 L169 F180 | S67-L70 PolarHBondContact O-N 3.29Å; L70-P72 WeakPolarHBondContact O-CD 3.37Å; L70-T75 WeakPolarHBondContact CB-OG1 3.3Å; L70-F117 HydrophobicContact CD1-CE1 4Å; L70-F117 HydrophobicContact CD1-CZ 3.94Å; L70-W167 HydrophobicContact CD1-CB 3.85Å; L70-W167 HydrophobicContact CD1-CG 4.48Å; L70-W167 HydrophobicContact CD2-CB 3.93Å; L70-W167 WeakPolarHBondContact CD2-O 3.41Å; L70-W167 HydrophobicContact CG-CB 4.11Å; L70-L169 HydrophobicContact CD1-CD2 4.24Å; L70-L169 HydrophobicContact CD2-CD2 4.15Å; L70-L169 HydrophobicContact CD2-CG 4.06Å; L70-F180 HydrophobicContact CD1-CG 4.46Å |
| 71 | H | 96.3 | Very high | 97.1 | Very high | 128 Ų | 128 | 60 Ų | 60 | 59% | 0.593 | 30% | 0.298 | S | S | * | . | trans | -68.4 | 124.1 | 175.1 | -170.6 | -79.5 | 0 | 0 | 0 | 109.8 | E73 A74 T75 | H71-E73 PolarHBondContact ND1-N 3.28Å; H71-E73 PolarHBondContact O-N 2.85Å; H71-A74 HydrophobicContact CB-CB 4.04Å; H71-A74 PolarHBondContact O-N 2.9Å; H71-T75 PolarHBondContact O-N 3.06Å; H71-T75 PolarHBondContact O-OG1 3.26Å | ||
| 72 | P | 97 | Very high | 97.1 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.4 | -48.5 | -172.7 | -29.7 | 36.3 | 0 | 0 | 0 | 114 | Y66 L70 A74 T75 R76 | Y66-P72 HydrophobicContact CD1-CB 3.81Å; Y66-P72 HydrophobicContact CD1-CG 4.46Å; Y66-P72 HydrophobicContact CE1-CB 3.86Å; Y66-P72 WeakPolarHBondContact CE1-O 3.3Å; Y66-P72 HydrophobicContact CG-CB 4.28Å; L70-P72 WeakPolarHBondContact O-CD 3.37Å; P72-A74 VanDerWaalsContact C-N 3.35Å; P72-A74 PolarHBondContact O-N 2.87Å; P72-T75 WeakPolarHBondContact O-CB 3.24Å; P72-T75 PolarHBondContact O-N 2.88Å; P72-R76 WeakPolarHBondContact O-CB 3.34Å; P72-R76 PolarHBondContact O-N 3.16Å |
| 73 | E | 97.2 | Very high | 97.1 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 179.9 | -68.5 | -58.4 | 152.2 | 0 | 0 | 113.1 | H71 T75 R76 L77 | H71-E73 PolarHBondContact ND1-N 3.28Å; H71-E73 PolarHBondContact O-N 2.85Å; E73-T75 VanDerWaalsContact C-N 3.34Å; E73-R76 PolarHBondContact O-N 2.84Å; E73-L77 WeakPolarHBondContact O-CG 3.44Å; E73-L77 PolarHBondContact O-N 3.04Å |
| 74 | A | 97.2 | Very high | 97.1 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | H71 P72 L77 V78 L169 | H71-A74 HydrophobicContact CB-CB 4.04Å; H71-A74 PolarHBondContact O-N 2.9Å; P72-A74 VanDerWaalsContact C-N 3.35Å; P72-A74 PolarHBondContact O-N 2.87Å; A74-L77 PolarHBondContact O-N 3.44Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 3.27Å; A74-L169 HydrophobicContact CB-CD1 3.57Å |
| 75 | T | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 174.5 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | I63 Y66 L70 H71 P72 E73 L77 V78 V79 F117 F180 | I63-T75 HydrophobicContact CD1-CG2 4.29Å; Y66-T75 HydrophobicContact CD1-CG2 4.27Å; Y66-T75 HydrophobicContact CE1-CG2 4.4Å; L70-T75 WeakPolarHBondContact CB-OG1 3.3Å; H71-T75 PolarHBondContact O-N 3.06Å; H71-T75 PolarHBondContact O-OG1 3.26Å; P72-T75 WeakPolarHBondContact O-CB 3.24Å; P72-T75 PolarHBondContact O-N 2.88Å; E73-T75 VanDerWaalsContact C-N 3.34Å; T75-L77 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 3.21Å; T75-V78 WeakPolarHBondContact O-CB 3.44Å; T75-V78 PolarHBondContact O-N 2.93Å; T75-V79 WeakPolarHBondContact O-CG2 3.16Å; T75-V79 PolarHBondContact O-N 3.45Å; T75-F117 HydrophobicContact CG2-CE2 4.27Å; T75-F117 HydrophobicContact CG2-CZ 4.36Å; T75-F180 HydrophobicContact CG2-CE1 3.92Å; T75-F180 HydrophobicContact CG2-CZ 4.2Å |
| 76 | R | 98 | Very high | 97.2 | Very high | 68 Ų | 68 | 56 Ų | 56 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.6 | -171.9 | -177.5 | -178.5 | -173.3 | 5.6 | 112.8 | W61 I63 P72 E73 V79 R80 E104 | W61-R76 HydrophobicContact CH2-CG 4.2Å; I63-R76 HydrophobicContact CD1-CB 4.34Å; P72-R76 WeakPolarHBondContact O-CB 3.34Å; P72-R76 PolarHBondContact O-N 3.16Å; E73-R76 PolarHBondContact O-N 2.84Å; R76-V79 PolarHBondContact O-N 3.07Å; R76-R80 VanDerWaalsContact CZ-NH2 3.29Å; R76-R80 VanDerWaalsContact NE-NH2 3.18Å; R76-R80 PolarHBondContact O-N 2.96Å; R76-R80 VanDerWaalsContact O-N 3.08Å; R76-E104 IonicContact CZ-OE1 3.21Å; R76-E104 VanDerWaalsContact CZ-OE1 3.26Å; R76-E104 IonicContact CZ-OE2 2.72Å; R76-E104 IonicContact NE-OE1 2.82Å; R76-E104 PolarHBondContact NE-OE1 2.85Å; R76-E104 IonicContact NE-OE2 3.41Å; R76-E104 PolarHBondContact NE-OE2 3.26Å; R76-E104 IonicContact NH2-OE1 2.66Å; R76-E104 PolarHBondContact NH2-OE1 3.45Å; R76-E104 VanDerWaalsContact NH2-OE1 3.12Å; R76-E104 IonicContact NH2-OE2 3.41Å; R76-E104 PolarHBondContact NH2-OE2 3.43Å |
| 77 | L | 97.7 | Very high | 97.1 | Very high | 101 Ų | 101 | 55 Ų | 55 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 174.2 | -71.3 | 174.7 | 0 | 0 | 0 | 111.9 | E73 A74 T75 V79 R80 S81 | E73-L77 WeakPolarHBondContact O-CG 3.44Å; E73-L77 PolarHBondContact O-N 3.04Å; A74-L77 PolarHBondContact O-N 3.44Å; T75-L77 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 3.21Å; L77-V79 VanDerWaalsContact C-N 3.34Å; L77-V79 PolarHBondContact O-N 3.01Å; L77-R80 WeakPolarHBondContact O-CB 3.47Å; L77-R80 PolarHBondContact O-N 2.92Å; L77-S81 PolarHBondContact O-N 2.94Å; L77-S81 PolarHBondContact O-OG 3.39Å |
| 78 | V | 97.6 | Very high | 97 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 174.6 | 163.2 | 0 | 0 | 0 | 0 | 111.3 | A74 T75 R80 S81 A82 L169 F180 P181 | A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 3.27Å; T75-V78 WeakPolarHBondContact O-CB 3.44Å; T75-V78 PolarHBondContact O-N 2.93Å; V78-R80 PolarHBondContact O-N 3.21Å; V78-S81 PolarHBondContact O-N 2.93Å; V78-A82 WeakPolarHBondContact O-CB 3.33Å; V78-A82 PolarHBondContact O-N 3.4Å; V78-L169 HydrophobicContact CG2-CD2 4.25Å; V78-F180 HydrophobicContact CB-CE1 4.41Å; V78-F180 HydrophobicContact CG1-CD1 3.81Å; V78-F180 HydrophobicContact CG1-CE1 3.67Å; V78-P181 HydrophobicContact CG1-CB 3.74Å; V78-P181 HydrophobicContact CG1-CG 3.64Å; V78-P181 HydrophobicContact CG2-CG 4.21Å |
| 79 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | W61 I63 T75 R76 L77 S81 A82 F83 I115 F180 L184 | W61-V79 HydrophobicContact CD2-CG1 3.75Å; W61-V79 HydrophobicContact CE3-CG1 3.47Å; W61-V79 VanDerWaalsContact CE3-CG1 3.47Å; W61-V79 HydrophobicContact CH2-CB 4.35Å; W61-V79 HydrophobicContact CH2-CG1 3.86Å; W61-V79 HydrophobicContact CZ2-CG1 4.11Å; W61-V79 HydrophobicContact CZ3-CB 4.23Å; W61-V79 HydrophobicContact CZ3-CG1 3.52Å; I63-V79 HydrophobicContact CD1-CB 4.39Å; I63-V79 HydrophobicContact CD1-CG2 3.84Å; I63-V79 HydrophobicContact CG1-CG2 4.21Å; T75-V79 WeakPolarHBondContact O-CG2 3.16Å; T75-V79 PolarHBondContact O-N 3.45Å; R76-V79 PolarHBondContact O-N 3.07Å; L77-V79 VanDerWaalsContact C-N 3.34Å; L77-V79 PolarHBondContact O-N 3.01Å; V79-S81 VanDerWaalsContact C-N 3.34Å; V79-S81 PolarHBondContact O-N 3.31Å; V79-A82 PolarHBondContact O-N 3.41Å; V79-F83 HydrophobicContact CG1-CD2 3.85Å; V79-F83 HydrophobicContact CG1-CE2 3.75Å; V79-F83 WeakPolarHBondContact O-CD2 3.28Å; V79-F83 PolarHBondContact O-N 3.2Å; V79-F83 VanDerWaalsContact O-N 3.09Å; V79-I115 HydrophobicContact CB-CD1 4.48Å; V79-I115 HydrophobicContact CG1-CD1 3.53Å; V79-I115 HydrophobicContact CG2-CD1 4.04Å; V79-F180 HydrophobicContact CG2-CE1 4.37Å; V79-F180 HydrophobicContact CG2-CZ 4.17Å; V79-L184 HydrophobicContact CB-CD2 4.1Å; V79-L184 HydrophobicContact CG1-CD2 4.43Å; V79-L184 HydrophobicContact CG2-CD2 3.62Å |
| 80 | R | 98.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.5 | -47.4 | 173.4 | -76.8 | 172.9 | 179.5 | 156.3 | -4.9 | 112.3 | W61 R76 L77 V78 K84 E104 | W61-R80 HydrophobicContact CH2-CG 3.89Å; W61-R80 HydrophobicContact CZ2-CG 3.43Å; W61-R80 VanDerWaalsContact CZ2-CG 3.43Å; R76-R80 VanDerWaalsContact CZ-NH2 3.29Å; R76-R80 VanDerWaalsContact NE-NH2 3.18Å; R76-R80 PolarHBondContact O-N 2.96Å; R76-R80 VanDerWaalsContact O-N 3.08Å; L77-R80 WeakPolarHBondContact O-CB 3.47Å; L77-R80 PolarHBondContact O-N 2.92Å; V78-R80 PolarHBondContact O-N 3.21Å; R80-K84 WeakPolarHBondContact O-CB 3.31Å; R80-K84 PolarHBondContact O-N 3.44Å; R80-E104 IonicContact CZ-OE2 3.56Å; R80-E104 IonicContact NE-OE2 3.25Å; R80-E104 IonicContact NH2-OE2 2.74Å; R80-E104 PolarHBondContact NH2-OE2 3.22Å |
| 81 | S | 97.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 179.7 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | L77 V78 V79 K84 I85 | L77-S81 PolarHBondContact O-N 2.94Å; L77-S81 PolarHBondContact O-OG 3.39Å; V78-S81 PolarHBondContact O-N 2.93Å; V79-S81 VanDerWaalsContact C-N 3.34Å; V79-S81 PolarHBondContact O-N 3.31Å; S81-K84 WeakPolarHBondContact O-CB 3.43Å; S81-K84 PolarHBondContact O-N 3.48Å; S81-I85 PolarHBondContact O-N 3.44Å |
| 82 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V78 V79 K84 I85 L184 V185 I188 | V78-A82 WeakPolarHBondContact O-CB 3.33Å; V78-A82 PolarHBondContact O-N 3.4Å; V79-A82 PolarHBondContact O-N 3.41Å; A82-K84 VanDerWaalsContact C-N 3.27Å; A82-K84 PolarHBondContact O-N 3.1Å; A82-I85 PolarHBondContact O-N 2.94Å; A82-L184 HydrophobicContact CB-CB 4.49Å; A82-L184 HydrophobicContact CB-CD2 3.61Å; A82-L184 HydrophobicContact CB-CG 3.85Å; A82-V185 HydrophobicContact CB-CG2 3.69Å; A82-I188 HydrophobicContact CB-CD1 3.74Å |
| 83 | F | 98.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 171.6 | -82.3 | -69.7 | 0 | 0 | 0 | 112.2 | W61 V79 I85 W86 S87 F102 I113 I115 I188 | W61-F83 HydrophobicContact CB-CD2 4.43Å; W61-F83 HydrophobicContact CB-CE2 3.51Å; W61-F83 HydrophobicContact CB-CZ 3.57Å; W61-F83 AromaticContact CD1-CD2 3.41Å; W61-F83 VanDerWaalsContact CD1-CD2 3.41Å; W61-F83 AromaticContact CD1-CE2 3.37Å; W61-F83 AromaticContact CD1-CG 3.97Å; W61-F83 AromaticContact CD1-CZ 3.88Å; W61-F83 HydrophobicContact CD2-CD2 4.11Å; W61-F83 AromaticContact CD2-CE2 3.82Å; W61-F83 HydrophobicContact CD2-CE2 3.82Å; W61-F83 AromaticContact CG-CD2 3.74Å; W61-F83 HydrophobicContact CG-CD2 3.74Å; W61-F83 AromaticContact CG-CE2 3.25Å; W61-F83 HydrophobicContact CG-CE2 3.25Å; W61-F83 AromaticContact CG-CZ 3.79Å; W61-F83 HydrophobicContact CG-CZ 3.79Å; W61-F83 AromaticContact NE1-CD2 3.61Å; W61-F83 AromaticContact NE1-CE2 3.97Å; V79-F83 HydrophobicContact CG1-CD2 3.85Å; V79-F83 HydrophobicContact CG1-CE2 3.75Å; V79-F83 WeakPolarHBondContact O-CD2 3.28Å; V79-F83 PolarHBondContact O-N 3.2Å; V79-F83 VanDerWaalsContact O-N 3.09Å; F83-I85 VanDerWaalsContact C-N 3.28Å; F83-I85 PolarHBondContact O-N 3.26Å; F83-W86 PolarHBondContact O-N 3.03Å; F83-W86 VanDerWaalsContact O-N 3.1Å; F83-S87 PolarHBondContact O-N 2.99Å; F83-F102 HydrophobicContact CB-CB 3.97Å; F83-F102 HydrophobicContact CB-CD2 3.82Å; F83-F102 HydrophobicContact CB-CE2 4.44Å; F83-F102 HydrophobicContact CB-CG 3.92Å; F83-F102 HydrophobicContact CD1-CB 4.12Å; F83-F102 AromaticContact CD1-CD1 3.36Å; F83-F102 HydrophobicContact CD1-CD1 3.36Å; F83-F102 AromaticContact CD1-CD2 3.8Å; F83-F102 HydrophobicContact CD1-CD2 3.8Å; F83-F102 AromaticContact CD1-CE1 3.53Å; F83-F102 HydrophobicContact CD1-CE1 3.53Å; F83-F102 AromaticContact CD1-CE2 3.96Å; F83-F102 HydrophobicContact CD1-CE2 3.96Å; F83-F102 AromaticContact CD1-CG 3.49Å; F83-F102 HydrophobicContact CD1-CG 3.49Å; F83-F102 VanDerWaalsContact CD1-CG 3.49Å; F83-F102 AromaticContact CD1-CZ 3.81Å; F83-F102 HydrophobicContact CD1-CZ 3.81Å; F83-F102 AromaticContact CE1-CD1 3.73Å; F83-F102 HydrophobicContact CE1-CD1 3.73Å; F83-F102 AromaticContact CE1-CE1 3.75Å; F83-F102 HydrophobicContact CE1-CE1 3.75Å; F83-F102 HydrophobicContact CE1-CG 4.3Å; F83-F102 HydrophobicContact CE1-CZ 4.35Å; F83-F102 HydrophobicContact CG-CB 4.14Å; F83-F102 HydrophobicContact CG-CD1 4.23Å; F83-F102 HydrophobicContact CG-CD2 4.24Å; F83-F102 AromaticContact CG-CG 3.96Å; F83-F102 HydrophobicContact CG-CG 3.96Å; F83-I113 HydrophobicContact CE1-CD1 4.02Å; F83-I113 HydrophobicContact CZ-CD1 4.23Å; F83-I113 HydrophobicContact CZ-CG2 4.28Å; F83-I115 HydrophobicContact CE2-CD1 4.16Å; F83-I188 HydrophobicContact CD1-CD1 3.9Å; F83-I188 HydrophobicContact CD1-CG1 4.23Å; F83-I188 HydrophobicContact CD1-CG2 3.9Å; F83-I188 HydrophobicContact CD2-CD1 4.04Å; F83-I188 HydrophobicContact CE1-CD1 4Å; F83-I188 HydrophobicContact CE1-CG1 3.87Å; F83-I188 HydrophobicContact CE1-CG2 3.81Å; F83-I188 HydrophobicContact CE2-CD1 4.12Å; F83-I188 HydrophobicContact CE2-CG1 4.44Å; F83-I188 HydrophobicContact CG-CD1 3.92Å; F83-I188 HydrophobicContact CZ-CD1 4.1Å; F83-I188 HydrophobicContact CZ-CG1 3.98Å |
| 84 | K | 97.4 | Very high | 93 | Very high | 117 Ų | 117 | 49.9 Ų | 49.9 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -33.1 | 178.1 | -169.9 | 173.1 | -177.4 | -67.9 | 0 | 113.1 | R80 S81 A82 W86 S87 D88 | R80-K84 WeakPolarHBondContact O-CB 3.31Å; R80-K84 PolarHBondContact O-N 3.44Å; S81-K84 WeakPolarHBondContact O-CB 3.43Å; S81-K84 PolarHBondContact O-N 3.48Å; A82-K84 VanDerWaalsContact C-N 3.27Å; A82-K84 PolarHBondContact O-N 3.1Å; K84-W86 PolarHBondContact O-N 3.32Å; K84-S87 WeakPolarHBondContact CA-OG 3.34Å; K84-S87 PolarHBondContact O-N 3.01Å; K84-S87 PolarHBondContact O-OG 3.24Å; K84-S87 VanDerWaalsContact O-OG 3.08Å; K84-D88 VanDerWaalsContact CE-OD2 3.29Å; K84-D88 WeakPolarHBondContact CE-OD2 3.41Å; K84-D88 WeakPolarHBondContact CG-OD2 3.37Å; K84-D88 IonicContact NZ-OD2 3.26Å; K84-D88 PolarHBondContact NZ-OD2 3.3Å; K84-D88 WeakPolarHBondContact O-CB 3.34Å; K84-D88 PolarHBondContact O-N 3.25Å |
| 85 | I | 97.2 | Very high | 92.3 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 174.9 | -72.6 | 164.9 | 0 | 0 | 0 | 111.3 | S81 A82 F83 V185 L213 V216 L218 | S81-I85 PolarHBondContact O-N 3.44Å; A82-I85 PolarHBondContact O-N 2.94Å; F83-I85 VanDerWaalsContact C-N 3.28Å; F83-I85 PolarHBondContact O-N 3.26Å; I85-V185 HydrophobicContact CD1-CG1 4.45Å; I85-V185 HydrophobicContact CD1-CG2 3.74Å; I85-V185 HydrophobicContact CG2-CG1 4.05Å; I85-L213 HydrophobicContact CD1-CD1 3.29Å; I85-L213 HydrophobicContact CD1-CG 3.77Å; I85-V216 HydrophobicContact CD1-CB 3.98Å; I85-V216 HydrophobicContact CD1-CG1 4.09Å; I85-V216 HydrophobicContact CG2-CG1 4.17Å; I85-L218 HydrophobicContact CG2-CD2 3.95Å; I85-L218 HydrophobicContact CG2-CG 4.15Å |
| 86 | W | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.8 | -39.6 | 177 | -72.1 | 102.1 | 0 | 0 | 0 | 112.5 | F83 K84 Q89 L100 F102 V185 I188 G189 L192 L194 V203 M204 L218 D222 L226 | F83-W86 PolarHBondContact O-N 3.03Å; F83-W86 VanDerWaalsContact O-N 3.1Å; K84-W86 PolarHBondContact O-N 3.32Å; W86-Q89 WeakPolarHBondContact O-CG 3.41Å; W86-L100 HydrophobicContact CB-CD1 3.91Å; W86-F102 HydrophobicContact CB-CE2 4.01Å; W86-F102 HydrophobicContact CB-CZ 4.41Å; W86-V185 PolarHBondContact NE1-O 3Å; W86-I188 HydrophobicContact CG-CG2 3.92Å; W86-G189 VanDerWaalsContact CZ2-CA 3.43Å; W86-L192 HydrophobicContact CB-CD1 4.1Å; W86-L192 HydrophobicContact CD2-CD1 3.72Å; W86-L192 HydrophobicContact CE3-CD1 3.81Å; W86-L192 HydrophobicContact CG-CD1 3.88Å; W86-L194 HydrophobicContact CH2-CD1 3.51Å; W86-L194 HydrophobicContact CZ3-CD1 3.59Å; W86-V203 HydrophobicContact CZ2-CG1 4.15Å; W86-M204 HydrophobicContact CH2-CG 4.35Å; W86-M204 HydrophobicContact CH2-SD 4.18Å; W86-M204 HydrophobicContact CZ2-SD 4.15Å; W86-L218 HydrophobicContact CD2-CD1 4.11Å; W86-L218 HydrophobicContact CD2-CD2 4.22Å; W86-L218 HydrophobicContact CE3-CD1 3.5Å; W86-L218 HydrophobicContact CE3-CD2 4.13Å; W86-L218 HydrophobicContact CE3-CG 4.49Å; W86-L218 HydrophobicContact CH2-CD2 3.98Å; W86-L218 HydrophobicContact CZ2-CD2 4.07Å; W86-L218 HydrophobicContact CZ3-CD1 3.75Å; W86-L218 HydrophobicContact CZ3-CD2 4.01Å; W86-D222 HydrophobicContact CH2-CB 4.34Å; W86-D222 HydrophobicContact CZ3-CB 4.49Å; W86-L226 HydrophobicContact CE3-CD2 4.2Å |
| 87 | S | 96.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | F83 K84 Q89 L100 | F83-S87 PolarHBondContact O-N 2.99Å; K84-S87 WeakPolarHBondContact CA-OG 3.34Å; K84-S87 PolarHBondContact O-N 3.01Å; K84-S87 PolarHBondContact O-OG 3.24Å; K84-S87 VanDerWaalsContact O-OG 3.08Å; S87-Q89 PolarHBondContact O-N 3.02Å; S87-L100 WeakPolarHBondContact CB-O 3.39Å |
| 88 | D | 94.4 | Very high | 91.3 | Very high | 91 Ų | 91 | 49.9 Ų | 49.9 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 15.7 | -175 | -67.8 | 18.8 | 0 | 0 | 0 | 112.6 | K84 I90 | K84-D88 VanDerWaalsContact CE-OD2 3.29Å; K84-D88 WeakPolarHBondContact CE-OD2 3.41Å; K84-D88 WeakPolarHBondContact CG-OD2 3.37Å; K84-D88 IonicContact NZ-OD2 3.26Å; K84-D88 PolarHBondContact NZ-OD2 3.3Å; K84-D88 WeakPolarHBondContact O-CB 3.34Å; K84-D88 PolarHBondContact O-N 3.25Å; D88-I90 PolarHBondContact O-N 2.98Å |
| 89 | Q | 88.9 | Confident | 91.2 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 131.3 | 175.8 | 64.6 | 157.2 | -19.2 | 0 | 0 | 110.6 | W86 S87 A91 A98 L218 | W86-Q89 WeakPolarHBondContact O-CG 3.41Å; S87-Q89 PolarHBondContact O-N 3.02Å; Q89-A91 PolarHBondContact O-N 3.28Å; Q89-A91 VanDerWaalsContact O-N 3.15Å; Q89-A98 PolarHBondContact NE2-O 2.7Å; Q89-L218 HydrophobicContact CB-CD1 3.83Å |
| 90 | I | 81.3 | Confident | 91.1 | Very high | 130 Ų | 130 | 55.5 Ų | 55.5 | 67% | 0.667 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 120.4 | 174.3 | -60.1 | 172.1 | 0 | 0 | 0 | 107.7 | D88 | D88-I90 PolarHBondContact O-N 2.98Š|
| 91 | A | 81.6 | Confident | 91.1 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q89 P93 T97 | Q89-A91 PolarHBondContact O-N 3.28Å; Q89-A91 VanDerWaalsContact O-N 3.15Å; A91-P93 WeakPolarHBondContact O-CD 3.29Å; A91-T97 HydrophobicContact CB-CG2 4.14Å |
| 92 | I | 81.2 | Confident | 91.1 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 123.6 | 175.2 | -57.6 | 172.1 | 0 | 0 | 0 | 106.8 | M95 I220 K223 C224 I236 | I92-M95 HydrophobicContact CB-CG 3.66Å; I92-M95 HydrophobicContact CB-SD 3.7Å; I92-M95 HydrophobicContact CD1-CE 4.3Å; I92-M95 HydrophobicContact CD1-SD 3.96Å; I92-M95 HydrophobicContact CG1-SD 4.43Å; I92-M95 HydrophobicContact CG2-CG 3.79Å; I92-M95 HydrophobicContact CG2-SD 3.55Å; I92-M95 VanDerWaalsContact CG2-SD 3.55Å; I92-M95 WeakPolarHBondContact O-CG 3.33Å; I92-M95 PolarHBondContact O-N 3.46Å; I92-I220 HydrophobicContact CD1-CD1 3.72Å; I92-I220 HydrophobicContact CG1-CD1 3.87Å; I92-I220 HydrophobicContact CG2-CD1 4.5Å; I92-K223 HydrophobicContact CD1-CB 4.08Å; I92-K223 HydrophobicContact CG1-CB 4.41Å; I92-C224 VanDerWaalsContact CD1-SG 3.59Å; I92-I236 HydrophobicContact CG2-CD1 4.3Å; I92-I236 HydrophobicContact CG2-CG2 4.25Å |
| 93 | P | 77.3 | Confident | 91.1 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 151.9 | 177.9 | -29.2 | 37.7 | 0 | 0 | 0 | 112.5 | A91 M95 D291 | A91-P93 WeakPolarHBondContact O-CD 3.29Å; P93-M95 PolarHBondContact O-N 3.27Å; P93-D291 WeakPolarHBondContact CB-OD2 3.48Å |
| 94 | S | 80.2 | Confident | 91.1 | Very high | 85 Ų | 85 | 59 Ų | 59 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16.3 | 176.5 | -63.5 | 0 | 0 | 0 | 0 | 116.2 | D291 | S94-D291 WeakPolarHBondContact CB-OD2 3.37Å; S94-D291 PolarHBondContact OG-OD2 3.07Å |
| 95 | M | 83.7 | Confident | 91.1 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 16% | 0.163 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -141.5 | 148.6 | 172.7 | 60.6 | -178.7 | -79.7 | 0 | 0 | 115 | I92 P93 T97 N227 S234 I236 | I92-M95 HydrophobicContact CB-CG 3.66Å; I92-M95 HydrophobicContact CB-SD 3.7Å; I92-M95 HydrophobicContact CD1-CE 4.3Å; I92-M95 HydrophobicContact CD1-SD 3.96Å; I92-M95 HydrophobicContact CG1-SD 4.43Å; I92-M95 HydrophobicContact CG2-CG 3.79Å; I92-M95 HydrophobicContact CG2-SD 3.55Å; I92-M95 VanDerWaalsContact CG2-SD 3.55Å; I92-M95 WeakPolarHBondContact O-CG 3.33Å; I92-M95 PolarHBondContact O-N 3.46Å; P93-M95 PolarHBondContact O-N 3.27Å; M95-T97 PolarHBondContact O-N 3.25Å; M95-T97 PolarHBondContact O-OG1 3.25Å; M95-N227 HydrophobicContact CE-CB 4.03Å; M95-N227 WeakPolarHBondContact CE-ND2 3.22Å; M95-S234 WeakPolarHBondContact CE-OG 3.43Å; M95-S234 PolarHBondContact SD-OG 3.47Å; M95-I236 HydrophobicContact SD-CB 4.42Å; M95-I236 HydrophobicContact SD-CD1 4.42Å |
| 96 | R | 88.8 | Confident | 91 | Very high | 143 Ų | 143 | 57.5 Ų | 57.5 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | trans | -59.9 | 125 | 172.4 | -173 | 178.6 | -170 | -149 | 1.3 | 109 | D55 N227 I231 | D55-R96 IonicContact OD1-CZ 3.74Å; D55-R96 IonicContact OD1-NE 3.19Å; D55-R96 PolarHBondContact OD1-NE 2.85Å; D55-R96 IonicContact OD1-NH1 3.31Å; D55-R96 PolarHBondContact OD1-NH1 3.2Å; D55-R96 IonicContact OD1-NH2 3.57Å; D55-R96 PolarHBondContact OD1-NH2 2.91Å; D55-R96 IonicContact OD2-CZ 3.31Å; D55-R96 IonicContact OD2-NE 3.62Å; D55-R96 PolarHBondContact OD2-NE 2.81Å; D55-R96 IonicContact OD2-NH2 3.28Å; D55-R96 PolarHBondContact OD2-NH2 3.04Å; R96-N227 PolarHBondContact O-ND2 3.29Å; R96-N227 PolarHBondContact O-OD1 2.92Å; R96-I231 HydrophobicContact CB-CG2 4.02Å; R96-I231 HydrophobicContact CG-CG2 3.94Å | ||
| 97 | T | 90.2 | Very high | 90.8 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.16 | 33% | 0.332 | C | S | . | . | trans | -113.5 | 133.6 | -174.7 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | A91 M95 K99 N227 | A91-T97 HydrophobicContact CB-CG2 4.14Å; M95-T97 PolarHBondContact O-N 3.25Å; M95-T97 PolarHBondContact O-OG1 3.25Å; T97-K99 PolarHBondContact O-N 3.44Å; T97-N227 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 98 | A | 92.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | trans | -65.1 | 123.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q89 N227 I231 | Q89-A98 PolarHBondContact NE2-O 2.7Å; A98-N227 PolarHBondContact N-OD1 3.37Å; A98-I231 HydrophobicContact CB-CD1 3.91Å; A98-I231 HydrophobicContact CB-CG1 3.93Å | ||
| 99 | K | 95.4 | Very high | 90.2 | Very high | 132 Ų | 132 | 64 Ų | 64 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 132 | 173.2 | -64.4 | 176.7 | -177.9 | 177 | 0 | 108.4 | D55 V56 L57 T97 | D55-K99 PolarHBondContact O-N 3.45Å; V56-K99 CarbonylContact C-O 3.54Å; V56-K99 WeakPolarHBondContact CA-O 2.92Å; V56-K99 HydrophobicContact CG2-CB 4.21Å; V56-K99 HydrophobicContact CG2-CD 4.27Å; L57-K99 PolarHBondContact N-O 3Å; T97-K99 PolarHBondContact O-N 3.44Å |
| 100 | L | 97.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131 | 177.6 | -47.1 | -177.4 | 0 | 0 | 0 | 109.3 | L57 W86 S87 F102 L192 L226 | L57-L100 HydrophobicContact CB-CD2 3.88Å; L57-L100 HydrophobicContact CD2-CD2 3.91Å; L57-L100 HydrophobicContact CG-CD2 4.4Å; W86-L100 HydrophobicContact CB-CD1 3.91Å; S87-L100 WeakPolarHBondContact CB-O 3.39Å; L100-F102 HydrophobicContact CB-CD2 4.31Å; L100-F102 HydrophobicContact CB-CE2 3.58Å; L100-F102 HydrophobicContact CB-CZ 3.91Å; L100-F102 HydrophobicContact CD1-CE2 3.9Å; L100-F102 HydrophobicContact CD1-CZ 3.83Å; L100-F102 HydrophobicContact CG-CE2 4.41Å; L100-F102 HydrophobicContact CG-CZ 4.47Å; L100-L192 HydrophobicContact CD1-CD1 3.79Å; L100-L192 HydrophobicContact CD1-CD2 4.21Å; L100-L226 HydrophobicContact CD1-CD1 4.33Å; L100-L226 HydrophobicContact CD1-CD2 3.79Å; L100-L226 HydrophobicContact CD2-CD1 4.48Å; L100-L226 HydrophobicContact CG-CD2 4.38Å |
| 101 | E | 97.7 | Very high | 91 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 116.3 | 173.3 | -72.3 | -172.3 | -143.7 | 0 | 0 | 109.1 | V56 L57 R58 L59 | V56-E101 HydrophobicContact CG1-CB 4.17Å; V56-E101 HydrophobicContact CG1-CG 3.71Å; V56-E101 VanDerWaalsContact CG1-OE1 3.28Å; V56-E101 WeakPolarHBondContact CG1-OE1 3.34Å; L57-E101 PolarHBondContact O-N 3.31Å; R58-E101 WeakPolarHBondContact CA-O 3.08Å; R58-E101 HydrophobicContact CG-CB 4.18Å; R58-E101 IonicContact CZ-OE1 2.55Å; R58-E101 IonicContact CZ-OE2 3.6Å; R58-E101 IonicContact NH1-OE1 2.73Å; R58-E101 IonicContact NH1-OE2 3.85Å; R58-E101 PolarHBondContact NH1-OE2 3.47Å; R58-E101 IonicContact NH2-OE1 2.62Å; R58-E101 PolarHBondContact NH2-OE1 2.87Å; R58-E101 IonicContact NH2-OE2 2.83Å; R58-E101 PolarHBondContact NH2-OE2 3.46Å; L59-E101 PolarHBondContact N-O 3.21Å |
| 102 | F | 98.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.3 | 179.9 | -59.5 | -74 | 0 | 0 | 0 | 110.6 | L59 F83 W86 L100 L192 | L59-F102 HydrophobicContact CB-CD1 3.97Å; L59-F102 HydrophobicContact CB-CE1 4.09Å; L59-F102 HydrophobicContact CD1-CE1 3.99Å; L59-F102 WeakPolarHBondContact O-CA 3.25Å; F83-F102 HydrophobicContact CB-CB 3.97Å; F83-F102 HydrophobicContact CB-CD2 3.82Å; F83-F102 HydrophobicContact CB-CE2 4.44Å; F83-F102 HydrophobicContact CB-CG 3.92Å; F83-F102 HydrophobicContact CD1-CB 4.12Å; F83-F102 AromaticContact CD1-CD1 3.36Å; F83-F102 HydrophobicContact CD1-CD1 3.36Å; F83-F102 AromaticContact CD1-CD2 3.8Å; F83-F102 HydrophobicContact CD1-CD2 3.8Å; F83-F102 AromaticContact CD1-CE1 3.53Å; F83-F102 HydrophobicContact CD1-CE1 3.53Å; F83-F102 AromaticContact CD1-CE2 3.96Å; F83-F102 HydrophobicContact CD1-CE2 3.96Å; F83-F102 AromaticContact CD1-CG 3.49Å; F83-F102 HydrophobicContact CD1-CG 3.49Å; F83-F102 VanDerWaalsContact CD1-CG 3.49Å; F83-F102 AromaticContact CD1-CZ 3.81Å; F83-F102 HydrophobicContact CD1-CZ 3.81Å; F83-F102 AromaticContact CE1-CD1 3.73Å; F83-F102 HydrophobicContact CE1-CD1 3.73Å; F83-F102 AromaticContact CE1-CE1 3.75Å; F83-F102 HydrophobicContact CE1-CE1 3.75Å; F83-F102 HydrophobicContact CE1-CG 4.3Å; F83-F102 HydrophobicContact CE1-CZ 4.35Å; F83-F102 HydrophobicContact CG-CB 4.14Å; F83-F102 HydrophobicContact CG-CD1 4.23Å; F83-F102 HydrophobicContact CG-CD2 4.24Å; F83-F102 AromaticContact CG-CG 3.96Å; F83-F102 HydrophobicContact CG-CG 3.96Å; W86-F102 HydrophobicContact CB-CE2 4.01Å; W86-F102 HydrophobicContact CB-CZ 4.41Å; L100-F102 HydrophobicContact CB-CD2 4.31Å; L100-F102 HydrophobicContact CB-CE2 3.58Å; L100-F102 HydrophobicContact CB-CZ 3.91Å; L100-F102 HydrophobicContact CD1-CE2 3.9Å; L100-F102 HydrophobicContact CD1-CZ 3.83Å; L100-F102 HydrophobicContact CG-CE2 4.41Å; L100-F102 HydrophobicContact CG-CZ 4.47Å; F102-L192 HydrophobicContact CE1-CD2 4.26Å; F102-L192 HydrophobicContact CZ-CD1 4.28Å; F102-L192 HydrophobicContact CZ-CD2 3.98Å |
| 103 | S | 98 | Very high | 92.3 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.3 | 172.3 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | L59 K60 W61 | L59-S103 PolarHBondContact O-N 3.29Å; L59-S103 VanDerWaalsContact O-N 3.15Å; K60-S103 CarbonylContact C-O 3.52Å; K60-S103 WeakPolarHBondContact CA-O 2.78Å; K60-S103 WeakPolarHBondContact CG-OG 3.39Å; W61-S103 VanDerWaalsContact CD1-O 3.31Å; W61-S103 PolarHBondContact N-O 3.12Å |
| 104 | E | 98.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.2 | 176.3 | -171.4 | 175.3 | 178.4 | 0 | 0 | 110.4 | W61 R76 R80 | W61-E104 HydrophobicContact CD2-CB 4.4Å; W61-E104 HydrophobicContact CD2-CG 4.43Å; W61-E104 HydrophobicContact CE3-CG 4.09Å; W61-E104 HydrophobicContact CH2-CB 3.8Å; W61-E104 VanDerWaalsContact CH2-CD 3.44Å; W61-E104 HydrophobicContact CH2-CG 3.58Å; W61-E104 HydrophobicContact CZ2-CB 3.61Å; W61-E104 HydrophobicContact CZ2-CG 3.93Å; W61-E104 HydrophobicContact CZ3-CB 4.27Å; W61-E104 HydrophobicContact CZ3-CG 3.67Å; W61-E104 CarbonylContact O-C 3.58Å; W61-E104 WeakPolarHBondContact O-CA 3.32Å; R76-E104 IonicContact CZ-OE1 3.21Å; R76-E104 VanDerWaalsContact CZ-OE1 3.26Å; R76-E104 IonicContact CZ-OE2 2.72Å; R76-E104 IonicContact NE-OE1 2.82Å; R76-E104 PolarHBondContact NE-OE1 2.85Å; R76-E104 IonicContact NE-OE2 3.41Å; R76-E104 PolarHBondContact NE-OE2 3.26Å; R76-E104 IonicContact NH2-OE1 2.66Å; R76-E104 PolarHBondContact NH2-OE1 3.45Å; R76-E104 VanDerWaalsContact NH2-OE1 3.12Å; R76-E104 IonicContact NH2-OE2 3.41Å; R76-E104 PolarHBondContact NH2-OE2 3.43Å; R80-E104 IonicContact CZ-OE2 3.56Å; R80-E104 IonicContact NE-OE2 3.25Å; R80-E104 IonicContact NH2-OE2 2.74Å; R80-E104 PolarHBondContact NH2-OE2 3.22Å |
| 105 | S | 97.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -80 | 141.3 | 178.5 | -171.5 | 0 | 0 | 0 | 0 | 112.5 | W61 K62 S107 D110 S111 | W61-S105 PolarHBondContact O-N 2.89Å; K62-S105 PolarHBondContact NZ-O 2.71Å; S105-S107 WeakPolarHBondContact CB-O 3.43Å; S105-S107 PolarHBondContact OG-N 2.98Å; S105-S107 PolarHBondContact OG-O 3.41Å; S105-D110 WeakPolarHBondContact OG-CB 3.3Å; S105-D110 PolarHBondContact OG-O 2.88Å; S105-S111 PolarHBondContact OG-N 2.9Å | ||
| 106 | S | 94.1 | Very high | 94.7 | Very high | 106 Ų | 106 | 52.3 Ų | 52.3 | 74% | 0.741 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -75.6 | -30.1 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | K62 | K62-S106 PolarHBondContact NZ-O 3.43Š|
| 107 | S | 93.6 | Very high | 95.2 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -134.1 | 165.2 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | S105 D109 D110 | S105-S107 WeakPolarHBondContact CB-O 3.43Å; S105-S107 PolarHBondContact OG-N 2.98Å; S105-S107 PolarHBondContact OG-O 3.41Å; S107-D109 VanDerWaalsContact C-N 3.34Å; S107-D110 PolarHBondContact OG-N 3.06Å |
| 108 | A | 88.9 | Confident | 95.4 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 45% | 0.446 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -64.8 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D110 S111 | A108-D110 PolarHBondContact O-N 3.15Å; A108-D110 VanDerWaalsContact O-N 3.1Å; A108-S111 VanDerWaalsContact O-CB 3.22Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 3.37Å |
| 109 | D | 90.2 | Very high | 95.5 | Very high | 164 Ų | 164 | 48 Ų | 48 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.5 | -178 | -55.2 | -21.6 | 0 | 0 | 0 | 115.3 | S107 | S107-D109 VanDerWaalsContact C-N 3.34Š|
| 110 | D | 91.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 43 Ų | 43 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 2.1 | 177.2 | -178.8 | 49 | 0 | 0 | 0 | 112.1 | K60 S105 S107 A108 | K60-D110 WeakPolarHBondContact CB-O 3.36Å; K60-D110 VanDerWaalsContact CD-O 3.23Å; K60-D110 WeakPolarHBondContact CD-O 3.42Å; K60-D110 WeakPolarHBondContact CD-OD2 3.27Å; K60-D110 IonicContact NZ-OD1 3.12Å; K60-D110 PolarHBondContact NZ-OD1 3.14Å; K60-D110 IonicContact NZ-OD2 2.81Å; K60-D110 PolarHBondContact NZ-OD2 2.61Å; S105-D110 WeakPolarHBondContact OG-CB 3.3Å; S105-D110 PolarHBondContact OG-O 2.88Å; S107-D110 PolarHBondContact OG-N 3.06Å; A108-D110 PolarHBondContact O-N 3.15Å; A108-D110 VanDerWaalsContact O-N 3.1Å |
| 111 | S | 94.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | trans | -82.6 | 139 | 177.2 | -162.1 | 0 | 0 | 0 | 0 | 110.7 | K62 S105 A108 I113 D114 | K62-S111 WeakPolarHBondContact CB-OG 3.28Å; K62-S111 PolarHBondContact N-OG 2.64Å; S105-S111 PolarHBondContact OG-N 2.9Å; A108-S111 VanDerWaalsContact O-CB 3.22Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 3.37Å; S111-I113 PolarHBondContact OG-O 3.48Å; S111-D114 WeakPolarHBondContact CB-OD1 3.06Å; S111-D114 PolarHBondContact OG-OD1 3.47Å | ||
| 112 | D | 94.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -96.2 | -30.2 | 168.2 | -62.6 | -59.2 | 0 | 0 | 0 | 111.4 | W47 K50 L59 K60 N156 | W47-D112 HydrophobicContact CH2-CB 3.98Å; W47-D112 WeakPolarHBondContact CH2-O 3.23Å; W47-D112 HydrophobicContact CZ2-CB 4.34Å; W47-D112 HydrophobicContact CZ3-CB 4.38Å; K50-D112 WeakPolarHBondContact CE-OD1 3.34Å; K50-D112 VanDerWaalsContact NZ-CG 3.34Å; K50-D112 IonicContact NZ-OD1 3.04Å; K50-D112 PolarHBondContact NZ-OD1 3.17Å; K50-D112 IonicContact NZ-OD2 2.84Å; K50-D112 PolarHBondContact NZ-OD2 3.41Å; L59-D112 WeakPolarHBondContact CA-OD2 3.47Å; L59-D112 HydrophobicContact CB-CB 4.39Å; L59-D112 HydrophobicContact CD2-CB 3.94Å; K60-D112 PolarHBondContact N-OD2 3.31Å; K60-D112 CarbonylContact O-C 3.53Å; K60-D112 WeakPolarHBondContact O-CA 3.27Å; K60-D112 WeakPolarHBondContact O-CB 3.14Å; K60-D112 PolarHBondContact O-N 2.64Å; D112-N156 VanDerWaalsContact O-O 3.06Å |
| 113 | I | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 106.5 | -177.4 | -63.6 | 167.1 | 0 | 0 | 0 | 108.6 | W47 L59 K60 W61 K62 F83 S111 G157 I159 A191 | W47-I113 HydrophobicContact CZ2-CG1 3.98Å; L59-I113 HydrophobicContact CD1-CD1 4.22Å; K60-I113 PolarHBondContact O-N 2.05Å; W61-I113 CarbonylContact C-O 3.59Å; W61-I113 WeakPolarHBondContact CA-O 3.42Å; W61-I113 HydrophobicContact CB-CB 4.28Å; K62-I113 PolarHBondContact N-O 3.42Å; F83-I113 HydrophobicContact CE1-CD1 4.02Å; F83-I113 HydrophobicContact CZ-CD1 4.23Å; F83-I113 HydrophobicContact CZ-CG2 4.28Å; S111-I113 PolarHBondContact OG-O 3.48Å; I113-G157 WeakPolarHBondContact CG2-O 3.37Å; I113-I159 HydrophobicContact CG2-CD1 4Å; I113-I159 HydrophobicContact CG2-CG1 4.08Å; I113-A191 HydrophobicContact CD1-CB 3.9Å; I113-A191 HydrophobicContact CG1-CB 4.34Å |
| 114 | D | 96.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.5 | 172.4 | -77 | -10.6 | 0 | 0 | 0 | 111.4 | K62 A64 S111 D158 I159 | K62-D114 CarbonylContact O-C 3.52Å; K62-D114 WeakPolarHBondContact O-CA 3.29Å; A64-D114 HydrophobicContact CB-CB 4.26Å; S111-D114 WeakPolarHBondContact CB-OD1 3.06Å; S111-D114 PolarHBondContact OG-OD1 3.47Å; D114-D158 PolarHBondContact N-OD1 3.43Å; D114-D158 CarbonylContact O-C 3.55Å; D114-D158 WeakPolarHBondContact O-CA 3.44Å; D114-I159 PolarHBondContact O-N 3.21Å |
| 115 | I | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.5 | 177.3 | -62.9 | 166.6 | 0 | 0 | 0 | 108.5 | K62 I63 A64 V79 F83 F117 I159 F161 L184 | K62-I115 PolarHBondContact O-N 3Å; I63-I115 CarbonylContact C-O 3.6Å; I63-I115 WeakPolarHBondContact CA-O 3.02Å; I63-I115 HydrophobicContact CG1-CB 4.38Å; A64-I115 PolarHBondContact N-O 2.82Å; V79-I115 HydrophobicContact CB-CD1 4.48Å; V79-I115 HydrophobicContact CG1-CD1 3.53Å; V79-I115 HydrophobicContact CG2-CD1 4.04Å; F83-I115 HydrophobicContact CE2-CD1 4.16Å; I115-F117 HydrophobicContact CG2-CE2 4.35Å; I115-I159 WeakPolarHBondContact CA-O 3.43Å; I115-I159 HydrophobicContact CG1-CB 4.37Å; I115-I159 HydrophobicContact CG1-CD1 4.5Å; I115-F161 HydrophobicContact CG2-CD2 4.03Å; I115-F161 HydrophobicContact CG2-CE2 3.77Å; I115-L184 HydrophobicContact CD1-CD1 4.12Å |
| 116 | L | 97.2 | Very high | 93.4 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.6 | -174.4 | -176.6 | 75.2 | 0 | 0 | 0 | 111.1 | A64 K65 A118 I159 H160 F161 | A64-L116 HydrophobicContact CB-CD1 4.33Å; K65-L116 HydrophobicContact CB-CD1 3.56Å; K65-L116 HydrophobicContact CD-CD1 4.29Å; L116-A118 HydrophobicContact CD2-CB 3.99Å; L116-A118 HydrophobicContact CG-CB 4.12Å; L116-I159 PolarHBondContact N-O 2.95Å; L116-H160 CarbonylContact O-C 3.54Å; L116-H160 WeakPolarHBondContact O-CA 3.41Å; L116-F161 PolarHBondContact O-N 2.9Å |
| 117 | F | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.4 | 163.5 | -70.3 | -98.1 | 0 | 0 | 0 | 109.5 | K65 L70 T75 I115 F161 D163 W167 F180 | K65-F117 WeakPolarHBondContact CD-O 3.35Å; K65-F117 VanDerWaalsContact O-CD2 3.3Å; K65-F117 WeakPolarHBondContact O-CD2 3.48Å; K65-F117 PolarHBondContact O-N 3.03Å; L70-F117 HydrophobicContact CD1-CE1 4Å; L70-F117 HydrophobicContact CD1-CZ 3.94Å; T75-F117 HydrophobicContact CG2-CE2 4.27Å; T75-F117 HydrophobicContact CG2-CZ 4.36Å; I115-F117 HydrophobicContact CG2-CE2 4.35Å; F117-F161 HydrophobicContact CD1-CB 3.69Å; F117-F161 HydrophobicContact CD1-CG 4.41Å; F117-F161 HydrophobicContact CE1-CB 3.86Å; F117-F161 HydrophobicContact CE1-CG 4.15Å; F117-F161 HydrophobicContact CG-CB 4.27Å; F117-F161 HydrophobicContact CZ-CD2 4.43Å; F117-F161 HydrophobicContact CZ-CG 4.47Å; F117-D163 HydrophobicContact CB-CB 4Å; F117-W167 AromaticContact CE1-CD1 3.95Å; F117-W167 HydrophobicContact CE1-CG 4.32Å; F117-F180 AromaticContact CE1-CD2 3.99Å; F117-F180 HydrophobicContact CE1-CD2 3.99Å; F117-F180 AromaticContact CE1-CE2 3.93Å; F117-F180 HydrophobicContact CE1-CE2 3.93Å; F117-F180 HydrophobicContact CE2-CE2 4.08Å; F117-F180 HydrophobicContact CE2-CZ 4.2Å; F117-F180 AromaticContact CZ-CD2 3.72Å; F117-F180 HydrophobicContact CZ-CD2 3.72Å; F117-F180 HydrophobicContact CZ-CE1 4.37Å; F117-F180 AromaticContact CZ-CE2 3.26Å; F117-F180 HydrophobicContact CZ-CE2 3.26Å; F117-F180 HydrophobicContact CZ-CG 4.44Å; F117-F180 AromaticContact CZ-CZ 3.63Å; F117-F180 HydrophobicContact CZ-CZ 3.63Å |
| 118 | A | 96.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 167.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L116 H122 F128 F161 D162 D163 | L116-A118 HydrophobicContact CD2-CB 3.99Å; L116-A118 HydrophobicContact CG-CB 4.12Å; A118-H122 HydrophobicContact CB-CB 3.38Å; A118-F128 VanDerWaalsContact O-CD2 3.31Å; A118-F128 WeakPolarHBondContact O-CD2 3.33Å; A118-F161 PolarHBondContact N-O 3.31Å; A118-D162 CarbonylContact O-C 3.53Å; A118-D162 WeakPolarHBondContact O-CA 3.25Å; A118-D163 PolarHBondContact O-N 3.2Å |
| 119 | T | 94 | Very high | 92.9 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | trans | -126.4 | 143.6 | -177.8 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | D163 S164 | T119-D163 HydrophobicContact CG2-CB 3.84Å; T119-S164 VanDerWaalsContact CG2-OG 3.32Å; T119-S164 WeakPolarHBondContact CG2-OG 3.19Å | ||
| 120 | G | 91.6 | Very high | 92.6 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 57.7 | -135.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H122 P127 F128 | G120-H122 PolarHBondContact O-N 3.15Å; G120-H122 PolarHBondContact O-ND1 2.94Å; G120-P127 WeakPolarHBondContact O-CA 3.5Å; G120-F128 PolarHBondContact O-N 2.93Å |
| 121 | E | 93.2 | Very high | 92 | Very high | 146 Ų | 146 | 41 Ų | 41 | 68% | 0.682 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -66.3 | 118.3 | 170.9 | -64.8 | -67.1 | 161.6 | 0 | 0 | 110.4 | P127 | E121-P127 HydrophobicContact CG-CB 4.29Å; E121-P127 WeakPolarHBondContact OE1-CB 3.4Å; E121-P127 WeakPolarHBondContact OE1-CG 3.24Å |
| 122 | H | 93.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | trans | -135.7 | 25 | -171.7 | 60 | -83.1 | 0 | 0 | 0 | 115 | A118 G120 D124 Y126 F128 H143 H160 | A118-H122 HydrophobicContact CB-CB 3.38Å; G120-H122 PolarHBondContact O-N 3.15Å; G120-H122 PolarHBondContact O-ND1 2.94Å; H122-D124 IonicContact CD2-OD2 3.76Å; H122-D124 IonicContact CE1-OD1 3.05Å; H122-D124 IonicContact CE1-OD2 2.86Å; H122-D124 IonicContact NE2-OD1 3.08Å; H122-D124 IonicContact NE2-OD2 2.87Å; H122-D124 PolarHBondContact NE2-OD2 3.1Å; H122-Y126 PolarHBondContact CE1-O 2.98Å; H122-Y126 VanDerWaalsContact CE1-O 3.31Å; H122-F128 AromaticContact CE1-CD2 3.39Å; H122-F128 WeakPolarHBondContact CE1-CD2 3.15Å; H122-F128 AromaticContact CE1-CE2 3.33Å; H122-F128 WeakPolarHBondContact CE1-CE2 3.24Å; H122-F128 AromaticContact CE1-CZ 3.91Å; H122-F128 AromaticContact ND1-CD2 3.61Å; H122-F128 AromaticContact ND1-CE2 3.87Å; H122-F128 AromaticContact NE2-CE2 3.51Å; H122-F128 AromaticContact NE2-CZ 3.97Å; H122-H143 AromaticContact CE1-CE1 3.7Å; H122-H143 AromaticContact NE2-CE1 3.55Å; H122-H143 AromaticContact NE2-NE2 3.59Å; H122-H160 AromaticContact CD2-CE1 3.92Å; H122-H160 AromaticContact CD2-ND1 3.24Å; H122-H160 PolarHBondContact CD2-ND1 3.11Å; H122-H160 AromaticContact NE2-CG 3.71Å; H122-H160 AromaticContact NE2-ND1 3Å; H122-H160 PolarHBondContact NE2-ND1 3.38Å | ||
| 123 | G | 90.2 | Very high | 89.4 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 83% | 0.825 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 100.8 | -2.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 124 | D | 91.2 | Very high | 87.8 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -115.7 | -175.9 | 168.5 | 69.7 | 33.7 | 0 | 0 | 0 | 111.5 | H122 Y126 H143 F145 L155 H160 | H122-D124 IonicContact CD2-OD2 3.76Å; H122-D124 IonicContact CE1-OD1 3.05Å; H122-D124 IonicContact CE1-OD2 2.86Å; H122-D124 IonicContact NE2-OD1 3.08Å; H122-D124 IonicContact NE2-OD2 2.87Å; H122-D124 PolarHBondContact NE2-OD2 3.1Å; D124-Y126 VanDerWaalsContact C-N 3.34Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.44Å; D124-Y126 PolarHBondContact OD1-N 2.83Å; D124-H143 IonicContact OD1-CE1 2.58Å; D124-H143 IonicContact OD2-CE1 3.78Å; D124-H143 PolarHBondContact OD2-CE1 2.81Å; D124-H143 IonicContact OD2-NE2 3.32Å; D124-H143 PolarHBondContact OD2-NE2 3.04Å; D124-F145 HydrophobicContact CB-CE2 4.36Å; D124-F145 HydrophobicContact CB-CZ 3.72Å; D124-F145 WeakPolarHBondContact OD2-CE2 2.97Å; D124-F145 WeakPolarHBondContact OD2-CZ 3.31Å; D124-L155 HydrophobicContact CB-CD1 3.87Å; D124-H160 IonicContact OD2-CE1 3.89Å; D124-H160 PolarHBondContact OD2-CE1 3.18Å; D124-H160 IonicContact OD2-ND1 2.57Å; D124-H160 PolarHBondContact OD2-ND1 2.57Å |
| 125 | Q | 88.6 | Confident | 86.2 | Confident | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -90.6 | 11.9 | -177.7 | 67.4 | -150.3 | 36.8 | 0 | 0 | 114.5 | Y149 | Q125-Y149 PolarHBondContact NE2-OH 3.42Š|
| 126 | Y | 88.4 | Confident | 84.5 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 42% | 0.42 | 38% | 0.383 | S | S | . | . | trans | -129.5 | 72.6 | -173.8 | -59.1 | -63.9 | 0 | 0 | 0 | 110.6 | H122 D124 H143 F145 Y149 | H122-Y126 PolarHBondContact CE1-O 2.98Å; H122-Y126 VanDerWaalsContact CE1-O 3.31Å; D124-Y126 VanDerWaalsContact C-N 3.34Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.44Å; D124-Y126 PolarHBondContact OD1-N 2.83Å; Y126-H143 PolarHBondContact O-CE1 2.8Å; Y126-F145 AromaticContact CD2-CE1 3.88Å; Y126-F145 HydrophobicContact CD2-CE1 3.88Å; Y126-F145 AromaticContact CD2-CZ 3.98Å; Y126-F145 HydrophobicContact CD2-CZ 3.98Å; Y126-F145 AromaticContact CE2-CE1 3.81Å; Y126-F145 HydrophobicContact CE2-CE1 3.81Å; Y126-F145 HydrophobicContact CE2-CZ 4.38Å; Y126-Y149 WeakPolarHBondContact CE2-OH 3.38Å; Y126-Y149 PolarHBondContact OH-OH 3.41Å | ||
| 127 | P | 90.8 | Very high | 82.7 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -60.6 | 143.5 | -179 | 26.5 | -35.9 | 0 | 0 | 0 | 112.2 | G120 E121 | G120-P127 WeakPolarHBondContact O-CA 3.5Å; E121-P127 HydrophobicContact CG-CB 4.29Å; E121-P127 WeakPolarHBondContact OE1-CB 3.4Å; E121-P127 WeakPolarHBondContact OE1-CG 3.24Å | ||
| 128 | F | 90.6 | Very high | 81.1 | Confident | 11 Ų | 11 | 70.6 Ų | 70.6 | 5% | 0.048 | 43% | 0.43 | C | S | . | . | trans | -71.5 | 149.7 | 171.2 | -70.3 | -55.8 | 0 | 0 | 0 | 111.6 | A118 G120 H122 G130 I140 H143 H160 F161 D162 | A118-F128 VanDerWaalsContact O-CD2 3.31Å; A118-F128 WeakPolarHBondContact O-CD2 3.33Å; G120-F128 PolarHBondContact O-N 2.93Å; H122-F128 AromaticContact CE1-CD2 3.39Å; H122-F128 WeakPolarHBondContact CE1-CD2 3.15Å; H122-F128 AromaticContact CE1-CE2 3.33Å; H122-F128 WeakPolarHBondContact CE1-CE2 3.24Å; H122-F128 AromaticContact CE1-CZ 3.91Å; H122-F128 AromaticContact ND1-CD2 3.61Å; H122-F128 AromaticContact ND1-CE2 3.87Å; H122-F128 AromaticContact NE2-CE2 3.51Å; H122-F128 AromaticContact NE2-CZ 3.97Å; F128-G130 VanDerWaalsContact C-N 3.3Å; F128-I140 HydrophobicContact CD1-CG2 4.33Å; F128-I140 HydrophobicContact CE1-CG2 4.43Å; F128-H143 AromaticContact CE1-ND1 3.99Å; F128-H160 HydrophobicContact CE2-CB 4.03Å; F128-H160 HydrophobicContact CZ-CB 3.66Å; F128-F161 VanDerWaalsContact CE2-C 3.45Å; F128-F161 WeakPolarHBondContact CE2-O 3.31Å; F128-F161 VanDerWaalsContact CZ-C 3.48Å; F128-D162 HydrophobicContact CB-CB 3.93Å; F128-D162 HydrophobicContact CD1-CB 3.64Å; F128-D162 HydrophobicContact CD2-CB 3.93Å; F128-D162 HydrophobicContact CE1-CB 4.12Å; F128-D162 HydrophobicContact CE2-CB 4.36Å; F128-D162 HydrophobicContact CG-CB 3.55Å; F128-D162 HydrophobicContact CZ-CB 4.46Å | ||
| 129 | D | 86.2 | Confident | 80.3 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | trans | -86.1 | -3.4 | -177.2 | 62.1 | -43.4 | 0 | 0 | 0 | 113.8 | N136 S138 N139 I140 | D129-N136 PolarHBondContact O-ND2 3.25Å; D129-N136 PolarHBondContact OD2-ND2 2.75Å; D129-N136 PolarHBondContact OD2-OD1 3.05Å; D129-S138 VanDerWaalsContact CB-OG 3.24Å; D129-S138 WeakPolarHBondContact CB-OG 3.44Å; D129-S138 VanDerWaalsContact CG-OG 3.26Å; D129-S138 WeakPolarHBondContact OD2-CA 3.39Å; D129-S138 WeakPolarHBondContact OD2-CB 3.29Å; D129-S138 PolarHBondContact OD2-OG 3.03Å; D129-N139 PolarHBondContact OD2-N 2.7Å; D129-I140 PolarHBondContact OD1-N 2.73Å | ||
| 130 | G | 84.2 | Confident | 79.7 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | trans | 82.2 | 168.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | F128 N136 D162 | F128-G130 VanDerWaalsContact C-N 3.3Å; G130-N136 PolarHBondContact O-ND2 3.45Å; G130-D162 VanDerWaalsContact C-OD2 3.29Å; G130-D162 VanDerWaalsContact CA-OD2 3.3Å; G130-D162 WeakPolarHBondContact CA-OD2 3.44Å; G130-D162 PolarHBondContact N-OD2 3.29Å | ||
| 131 | G | 78.5 | Confident | 79.7 | Confident | 18 Ų | 18 | 69 Ų | 69 | 19% | 0.186 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -63.2 | 155.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q133 E165 | G131-Q133 WeakPolarHBondContact O-CG 3.19Å; G131-Q133 PolarHBondContact O-N 2.99Å; G131-E165 WeakPolarHBondContact CA-OE1 3.37Å |
| 132 | K | 70.8 | Confident | 79.7 | Confident | 156 Ų | 156 | 62.1 Ų | 62.1 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | trans | -44 | 98.8 | 177.7 | -168.4 | 179 | -177.4 | -178.4 | 0 | 113.4 | E165 | K132-E165 PolarHBondContact N-OE1 3.4Š| ||
| 133 | Q | 64 | Low | 79.6 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | trans | -110.5 | 148.3 | 175.5 | -65.6 | -131.3 | -11.9 | 0 | 0 | 110.8 | G131 G135 N136 | G131-Q133 WeakPolarHBondContact O-CG 3.19Å; G131-Q133 PolarHBondContact O-N 2.99Å; Q133-G135 PolarHBondContact O-N 3.38Å; Q133-G135 VanDerWaalsContact O-N 3.14Å; Q133-N136 HydrophobicContact CB-CB 4.38Å; Q133-N136 PolarHBondContact O-N 3.11Å | ||
| 134 | P | 62 | Low | 79.8 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 120.8 | 167.6 | -21.3 | 32.5 | 0 | 0 | 0 | 110.2 | ||
| 135 | G | 61.9 | Low | 79.8 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 87% | 0.866 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | -15.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q133 S137 | Q133-G135 PolarHBondContact O-N 3.38Å; Q133-G135 VanDerWaalsContact O-N 3.14Å; G135-S137 PolarHBondContact O-N 3.21Å |
| 136 | N | 63.2 | Low | 79.9 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | trans | -76.6 | 113.4 | 166.6 | -171.9 | 3.6 | 0 | 0 | 0 | 108.8 | D129 G130 Q133 S138 | D129-N136 PolarHBondContact O-ND2 3.25Å; D129-N136 PolarHBondContact OD2-ND2 2.75Å; D129-N136 PolarHBondContact OD2-OD1 3.05Å; G130-N136 PolarHBondContact O-ND2 3.45Å; Q133-N136 HydrophobicContact CB-CB 4.38Å; Q133-N136 PolarHBondContact O-N 3.11Å; N136-S138 PolarHBondContact OD1-N 2.88Å; N136-S138 VanDerWaalsContact OD1-N 3.09Å; N136-S138 PolarHBondContact OD1-O 3.27Å; N136-S138 PolarHBondContact OD1-OG 3.42Å | ||
| 137 | S | 58.8 | Low | 80 | Confident | 118 Ų | 118 | 47.4 Ų | 47.4 | 83% | 0.825 | 29% | 0.291 | S | S | * | . | trans | -89.9 | -19.6 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | G135 | G135-S137 PolarHBondContact O-N 3.21Š| ||
| 138 | S | 65.6 | Low | 79.5 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | trans | -83.4 | 159.2 | 169.9 | 47 | 0 | 0 | 0 | 0 | 109.5 | D129 N136 | D129-S138 VanDerWaalsContact CB-OG 3.24Å; D129-S138 WeakPolarHBondContact CB-OG 3.44Å; D129-S138 VanDerWaalsContact CG-OG 3.26Å; D129-S138 WeakPolarHBondContact OD2-CA 3.39Å; D129-S138 WeakPolarHBondContact OD2-CB 3.29Å; D129-S138 PolarHBondContact OD2-OG 3.03Å; N136-S138 PolarHBondContact OD1-N 2.88Å; N136-S138 VanDerWaalsContact OD1-N 3.09Å; N136-S138 PolarHBondContact OD1-O 3.27Å; N136-S138 PolarHBondContact OD1-OG 3.42Å | ||
| 139 | N | 77.9 | Confident | 78.9 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | trans | -151.8 | 50.8 | -176 | -171 | 11.7 | 0 | 0 | 0 | 106.6 | R27 D129 L141 | R27-N139 VanDerWaalsContact CA-ND2 3.33Å; R27-N139 WeakPolarHBondContact CA-ND2 3.32Å; R27-N139 WeakPolarHBondContact CG-ND2 3.41Å; R27-N139 PolarHBondContact N-ND2 3.49Å; D129-N139 PolarHBondContact OD2-N 2.7Å; N139-L141 PolarHBondContact O-N 3.42Å; N139-L141 WeakPolarHBondContact OD1-CD2 3.36Å | ||
| 140 | I | 83 | Confident | 78.3 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 103.7 | -177.1 | -63.1 | 172.9 | 0 | 0 | 0 | 106.4 | F128 D129 | F128-I140 HydrophobicContact CD1-CG2 4.33Å; F128-I140 HydrophobicContact CE1-CG2 4.43Å; D129-I140 PolarHBondContact OD1-N 2.73Å |
| 141 | L | 90.3 | Very high | 77.5 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -82.9 | -30.2 | -177.8 | -55 | -174 | 0 | 0 | 0 | 113 | R27 N139 D162 E165 W167 P178 V183 Y208 | R27-L141 HydrophobicContact CB-CD1 3.82Å; R27-L141 HydrophobicContact CB-CG 4.36Å; R27-L141 HydrophobicContact CG-CD1 3.93Å; R27-L141 HydrophobicContact CG-CD2 4.32Å; R27-L141 HydrophobicContact CG-CG 4.37Å; N139-L141 PolarHBondContact O-N 3.42Å; N139-L141 WeakPolarHBondContact OD1-CD2 3.36Å; L141-D162 PolarHBondContact O-N 3.32Å; L141-E165 HydrophobicContact CD2-CG 3.8Å; L141-W167 HydrophobicContact CB-CH2 3.68Å; L141-W167 HydrophobicContact CB-CZ2 4.27Å; L141-W167 HydrophobicContact CD1-CH2 4.37Å; L141-W167 HydrophobicContact CD1-CZ3 4.48Å; L141-W167 VanDerWaalsContact O-CZ2 3.28Å; L141-W167 WeakPolarHBondContact O-CZ2 3.2Å; L141-P178 HydrophobicContact CD1-CB 3.56Å; L141-P178 HydrophobicContact CD2-CB 4.15Å; L141-P178 HydrophobicContact CD2-CG 4.33Å; L141-P178 HydrophobicContact CG-CB 4.5Å; L141-V183 HydrophobicContact CD1-CG2 4.04Å; L141-Y208 HydrophobicContact CB-CE2 3.89Å; L141-Y208 HydrophobicContact CD1-CD2 3.58Å; L141-Y208 HydrophobicContact CD1-CE2 3.78Å; L141-Y208 HydrophobicContact CG-CD2 4.19Å; L141-Y208 HydrophobicContact CG-CE2 3.99Å | ||
| 142 | A | 93.4 | Very high | 76.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 160.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G30 H160 F161 V183 E187 | G30-A142 PolarHBondContact N-O 3.49Å; A142-H160 CarbonylContact C-O 3.57Å; A142-H160 WeakPolarHBondContact CA-O 3.25Å; A142-H160 WeakPolarHBondContact CB-O 3.31Å; A142-F161 HydrophobicContact CB-CD1 3.86Å; A142-F161 HydrophobicContact CB-CE1 4.13Å; A142-F161 HydrophobicContact CB-CG 4.42Å; A142-V183 HydrophobicContact CB-CG1 3.81Å; A142-E187 HydrophobicContact CB-CG 3.77Å |
| 143 | H | 91.8 | Very high | 76.6 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 161.3 | 163 | 61.7 | -133.3 | 0 | 0 | 0 | 110.6 | H122 D124 Y126 F128 F145 H160 | H122-H143 AromaticContact CE1-CE1 3.7Å; H122-H143 AromaticContact NE2-CE1 3.55Å; H122-H143 AromaticContact NE2-NE2 3.59Å; D124-H143 IonicContact OD1-CE1 2.58Å; D124-H143 IonicContact OD2-CE1 3.78Å; D124-H143 PolarHBondContact OD2-CE1 2.81Å; D124-H143 IonicContact OD2-NE2 3.32Å; D124-H143 PolarHBondContact OD2-NE2 3.04Å; Y126-H143 PolarHBondContact O-CE1 2.8Å; F128-H143 AromaticContact CE1-ND1 3.99Å; H143-F145 AromaticContact CD2-CE2 3.98Å; H143-F145 AromaticContact NE2-CE2 3.81Å; H143-H160 PolarHBondContact N-O 3.2Å; H143-H160 AromaticContact NE2-CG 3.64Å; H143-H160 AromaticContact NE2-ND1 3.24Å; H143-H160 PolarHBondContact NE2-ND1 3.39Å; H143-H160 PolarHBondContact O-N 2.88Å |
| 144 | T | 93.8 | Very high | 77.2 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.043 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.2 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | I31 D158 I159 E187 H190 A191 | I31-T144 VanDerWaalsContact CD1-O 3.23Å; I31-T144 WeakPolarHBondContact CD1-O 3.37Å; T144-D158 WeakPolarHBondContact CA-O 3.48Å; T144-I159 HydrophobicContact CG2-CG1 3.84Å; T144-E187 WeakPolarHBondContact CB-OE2 3.12Å; T144-E187 PolarHBondContact N-OE2 3.1Å; T144-E187 WeakPolarHBondContact OG1-CB 3.24Å; T144-E187 PolarHBondContact OG1-O 3.21Å; T144-E187 PolarHBondContact OG1-OE2 3.29Å; T144-H190 HydrophobicContact CG2-CB 3.67Å; T144-A191 HydrophobicContact CG2-CB 3.83Å |
| 145 | F | 91.5 | Very high | 78.2 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -81 | 133.9 | 169.9 | -63 | -83.7 | 0 | 0 | 0 | 110.2 | D124 Y126 H143 Y149 L155 G157 D158 H160 | D124-F145 HydrophobicContact CB-CE2 4.36Å; D124-F145 HydrophobicContact CB-CZ 3.72Å; D124-F145 WeakPolarHBondContact OD2-CE2 2.97Å; D124-F145 WeakPolarHBondContact OD2-CZ 3.31Å; Y126-F145 AromaticContact CD2-CE1 3.88Å; Y126-F145 HydrophobicContact CD2-CE1 3.88Å; Y126-F145 AromaticContact CD2-CZ 3.98Å; Y126-F145 HydrophobicContact CD2-CZ 3.98Å; Y126-F145 AromaticContact CE2-CE1 3.81Å; Y126-F145 HydrophobicContact CE2-CE1 3.81Å; Y126-F145 HydrophobicContact CE2-CZ 4.38Å; H143-F145 AromaticContact CD2-CE2 3.98Å; H143-F145 AromaticContact NE2-CE2 3.81Å; F145-Y149 HydrophobicContact CB-CD1 4.39Å; F145-Y149 HydrophobicContact CB-CG 4.26Å; F145-Y149 AromaticContact CD1-CD1 3.34Å; F145-Y149 HydrophobicContact CD1-CD1 3.34Å; F145-Y149 HydrophobicContact CD1-CD2 4.19Å; F145-Y149 AromaticContact CD1-CE1 3.37Å; F145-Y149 HydrophobicContact CD1-CE1 3.37Å; F145-Y149 HydrophobicContact CD1-CE2 4.19Å; F145-Y149 AromaticContact CD1-CG 3.79Å; F145-Y149 HydrophobicContact CD1-CG 3.79Å; F145-Y149 AromaticContact CD1-CZ 3.81Å; F145-Y149 AromaticContact CE1-CD1 3.98Å; F145-Y149 HydrophobicContact CE1-CD1 3.98Å; F145-Y149 AromaticContact CE1-CE1 3.53Å; F145-Y149 HydrophobicContact CE1-CE1 3.53Å; F145-Y149 AromaticContact CE1-CZ 3.93Å; F145-Y149 HydrophobicContact CG-CD1 4.22Å; F145-Y149 HydrophobicContact CG-CG 4.5Å; F145-L155 HydrophobicContact CB-CB 4.41Å; F145-L155 WeakPolarHBondContact CB-O 3.35Å; F145-L155 HydrophobicContact CD1-CB 4.22Å; F145-L155 HydrophobicContact CD2-CB 3.9Å; F145-L155 HydrophobicContact CD2-CD1 4.48Å; F145-L155 HydrophobicContact CD2-CD2 4.12Å; F145-L155 HydrophobicContact CD2-CG 4.39Å; F145-L155 HydrophobicContact CE1-CB 4.49Å; F145-L155 HydrophobicContact CE1-CD1 4.19Å; F145-L155 HydrophobicContact CE2-CB 4.22Å; F145-L155 HydrophobicContact CE2-CD1 3.96Å; F145-L155 HydrophobicContact CE2-CD2 3.96Å; F145-L155 HydrophobicContact CE2-CG 4.28Å; F145-L155 HydrophobicContact CG-CB 3.9Å; F145-L155 HydrophobicContact CZ-CD1 3.8Å; F145-G157 CarbonylContact O-C 3.46Å; F145-G157 WeakPolarHBondContact O-CA 3.17Å; F145-G157 PolarHBondContact O-N 2.72Å; F145-D158 HydrophobicContact CD2-CB 4.29Å; F145-D158 PolarHBondContact N-O 3.07Å; F145-H160 AromaticContact CE2-CE1 3.77Å |
| 146 | Y | 91 | Very high | 79.4 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 159.1 | 177.4 | -76 | -98.4 | 0 | 0 | 0 | 111 | I31 Q35 N148 Y149 H190 L194 | I31-Y146 HydrophobicContact CD1-CE2 3.84Å; I31-Y146 HydrophobicContact CG2-CE2 4Å; Q35-Y146 VanDerWaalsContact NE2-CE2 3.32Å; Q35-Y146 PolarHBondContact NE2-OH 3.38Å; Y146-N148 PolarHBondContact O-N 3.41Å; Y146-Y149 WeakPolarHBondContact O-CB 3.49Å; Y146-Y149 PolarHBondContact O-N 2.82Å; Y146-Y149 VanDerWaalsContact O-N 3.1Å; Y146-H190 AromaticContact CZ-ND1 3.65Å; Y146-H190 PolarHBondContact OH-CE1 2.7Å; Y146-H190 PolarHBondContact OH-ND1 3.19Å; Y146-L194 VanDerWaalsContact CE1-O 3.31Å; Y146-L194 WeakPolarHBondContact CE1-O 3.41Å; Y146-L194 PolarHBondContact OH-O 3.26Å |
| 147 | P | 90 | Very high | 80.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 140.3 | 168 | -24.9 | 35.3 | 0 | 0 | 0 | 111.5 | S45 W47 Y149 A191 | S45-P147 WeakPolarHBondContact CA-O 2.92Å; W47-P147 HydrophobicContact CD2-CB 3.98Å; W47-P147 HydrophobicContact CD2-CG 4.23Å; W47-P147 HydrophobicContact CG-CB 4.09Å; W47-P147 HydrophobicContact CG-CG 4.18Å; W47-P147 HydrophobicContact CZ2-CG 4.48Å; P147-Y149 PolarHBondContact O-N 3Å; P147-A191 WeakPolarHBondContact CG-O 3.35Å |
| 148 | N | 82 | Confident | 82.5 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.6 | -173 | -36.9 | -51 | 0 | 0 | 0 | 112.7 | K46 Y146 Q150 N156 | K46-N148 PolarHBondContact O-ND2 2.59Å; Y146-N148 PolarHBondContact O-N 3.41Å; N148-Q150 PolarHBondContact O-N 2.76Å; N148-N156 VanDerWaalsContact C-OD1 3.22Å; N148-N156 WeakPolarHBondContact CA-OD1 3.46Å; N148-N156 PolarHBondContact N-OD1 3.32Å |
| 149 | Y | 76.7 | Confident | 83.9 | Confident | 60 Ų | 60 | 40.6 Ų | 40.6 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -55.4 | -44 | 173.6 | 178.1 | -112.9 | 0 | 0 | 0 | 111 | Q125 Y126 F145 Y146 P147 L155 N156 | Q125-Y149 PolarHBondContact NE2-OH 3.42Å; Y126-Y149 WeakPolarHBondContact CE2-OH 3.38Å; Y126-Y149 PolarHBondContact OH-OH 3.41Å; F145-Y149 HydrophobicContact CB-CD1 4.39Å; F145-Y149 HydrophobicContact CB-CG 4.26Å; F145-Y149 AromaticContact CD1-CD1 3.34Å; F145-Y149 HydrophobicContact CD1-CD1 3.34Å; F145-Y149 HydrophobicContact CD1-CD2 4.19Å; F145-Y149 AromaticContact CD1-CE1 3.37Å; F145-Y149 HydrophobicContact CD1-CE1 3.37Å; F145-Y149 HydrophobicContact CD1-CE2 4.19Å; F145-Y149 AromaticContact CD1-CG 3.79Å; F145-Y149 HydrophobicContact CD1-CG 3.79Å; F145-Y149 AromaticContact CD1-CZ 3.81Å; F145-Y149 AromaticContact CE1-CD1 3.98Å; F145-Y149 HydrophobicContact CE1-CD1 3.98Å; F145-Y149 AromaticContact CE1-CE1 3.53Å; F145-Y149 HydrophobicContact CE1-CE1 3.53Å; F145-Y149 AromaticContact CE1-CZ 3.93Å; F145-Y149 HydrophobicContact CG-CD1 4.22Å; F145-Y149 HydrophobicContact CG-CG 4.5Å; Y146-Y149 WeakPolarHBondContact O-CB 3.49Å; Y146-Y149 PolarHBondContact O-N 2.82Å; Y146-Y149 VanDerWaalsContact O-N 3.1Å; P147-Y149 PolarHBondContact O-N 3Å; Y149-L155 WeakPolarHBondContact CB-O 3.36Å; Y149-N156 PolarHBondContact N-OD1 3.35Å |
| 150 | Q | 74.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 40 Ų | 40 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | trans | -137.7 | 138.6 | 174.6 | -72.3 | -171.3 | 28 | 0 | 0 | 110.7 | N148 Y152 D153 N156 | N148-Q150 PolarHBondContact O-N 2.76Å; Q150-Y152 PolarHBondContact O-N 2.97Å; Q150-D153 HydrophobicContact CB-CB 3.71Å; Q150-D153 HydrophobicContact CG-CB 4.36Å; Q150-D153 PolarHBondContact OE1-OD2 3.27Å; Q150-N156 PolarHBondContact N-OD1 2.87Å; Q150-N156 PolarHBondContact O-ND2 3.41Å; Q150-N156 PolarHBondContact O-OD1 3.01Å | ||
| 151 | P | 66.3 | Low | 85.5 | Confident | 114 Ų | 114 | 37.5 Ų | 37.5 | 74% | 0.74 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -66.6 | -19.7 | -177.8 | -18.5 | 30 | 0 | 0 | 0 | 114.7 | ||
| 152 | Y | 65.8 | Low | 85.7 | Confident | 221 Ų | 221 | 37.4 Ų | 37.4 | 87% | 0.867 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -132.1 | -0.1 | -167.2 | -54.2 | -66.9 | 0 | 0 | 0 | 114.5 | Q150 | Q150-Y152 PolarHBondContact O-N 2.97Š|
| 153 | D | 65.7 | Low | 85.8 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -110.4 | 140.6 | -177.3 | -169.8 | -48.4 | 0 | 0 | 0 | 109 | Q150 L155 N156 | Q150-D153 HydrophobicContact CB-CB 3.71Å; Q150-D153 HydrophobicContact CG-CB 4.36Å; Q150-D153 PolarHBondContact OE1-OD2 3.27Å; D153-L155 PolarHBondContact O-N 3.43Å; D153-L155 WeakPolarHBondContact OD1-CG 3.32Å; D153-L155 PolarHBondContact OD1-N 3.27Å; D153-L155 VanDerWaalsContact OD1-N 3.11Å; D153-N156 PolarHBondContact O-ND2 2.85Å |
| 154 | P | 76.3 | Confident | 85.9 | Confident | 105 Ų | 105 | 39.5 Ų | 39.5 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -61 | -17.9 | 179.7 | 25.2 | -37.8 | 0 | 0 | 0 | 115.1 | N156 | P154-N156 PolarHBondContact O-N 2.9Š|
| 155 | L | 83.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | trans | -72.2 | 55.1 | -175.5 | -62.4 | 173.7 | 0 | 0 | 0 | 113.6 | D124 F145 Y149 D153 D158 | D124-L155 HydrophobicContact CB-CD1 3.87Å; F145-L155 HydrophobicContact CB-CB 4.41Å; F145-L155 WeakPolarHBondContact CB-O 3.35Å; F145-L155 HydrophobicContact CD1-CB 4.22Å; F145-L155 HydrophobicContact CD2-CB 3.9Å; F145-L155 HydrophobicContact CD2-CD1 4.48Å; F145-L155 HydrophobicContact CD2-CD2 4.12Å; F145-L155 HydrophobicContact CD2-CG 4.39Å; F145-L155 HydrophobicContact CE1-CB 4.49Å; F145-L155 HydrophobicContact CE1-CD1 4.19Å; F145-L155 HydrophobicContact CE2-CB 4.22Å; F145-L155 HydrophobicContact CE2-CD1 3.96Å; F145-L155 HydrophobicContact CE2-CD2 3.96Å; F145-L155 HydrophobicContact CE2-CG 4.28Å; F145-L155 HydrophobicContact CG-CB 3.9Å; F145-L155 HydrophobicContact CZ-CD1 3.8Å; Y149-L155 WeakPolarHBondContact CB-O 3.36Å; D153-L155 PolarHBondContact O-N 3.43Å; D153-L155 WeakPolarHBondContact OD1-CG 3.32Å; D153-L155 PolarHBondContact OD1-N 3.27Å; D153-L155 VanDerWaalsContact OD1-N 3.11Å; L155-D158 HydrophobicContact CD2-CB 4.16Å; L155-D158 WeakPolarHBondContact CD2-OD2 3.38Å | ||
| 156 | N | 85.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -108.2 | 103.9 | 176.2 | -72.4 | -60.4 | 0 | 0 | 0 | 107.7 | W47 D112 N148 Y149 Q150 D153 P154 D158 | W47-N156 HydrophobicContact CH2-CB 4.19Å; W47-N156 WeakPolarHBondContact CH2-O 3.45Å; W47-N156 WeakPolarHBondContact CZ2-O 3.36Å; W47-N156 HydrophobicContact CZ3-CB 4.39Å; D112-N156 VanDerWaalsContact O-O 3.06Å; N148-N156 VanDerWaalsContact C-OD1 3.22Å; N148-N156 WeakPolarHBondContact CA-OD1 3.46Å; N148-N156 PolarHBondContact N-OD1 3.32Å; Y149-N156 PolarHBondContact N-OD1 3.35Å; Q150-N156 PolarHBondContact N-OD1 2.87Å; Q150-N156 PolarHBondContact O-ND2 3.41Å; Q150-N156 PolarHBondContact O-OD1 3.01Å; D153-N156 PolarHBondContact O-ND2 2.85Å; P154-N156 PolarHBondContact O-N 2.9Å; N156-D158 VanDerWaalsContact C-N 3.33Å |
| 157 | G | 92 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 90.8 | -14.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I113 F145 A191 | I113-G157 WeakPolarHBondContact CG2-O 3.37Å; F145-G157 CarbonylContact O-C 3.46Å; F145-G157 WeakPolarHBondContact O-CA 3.17Å; F145-G157 PolarHBondContact O-N 2.72Å; G157-A191 WeakPolarHBondContact O-CB 3.47Å |
| 158 | D | 94.8 | Very high | 86 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | trans | -60.2 | 141.4 | -176.3 | -68.7 | -6.9 | 0 | 0 | 0 | 113.1 | D114 T144 F145 L155 N156 | D114-D158 PolarHBondContact N-OD1 3.43Å; D114-D158 CarbonylContact O-C 3.55Å; D114-D158 WeakPolarHBondContact O-CA 3.44Å; T144-D158 WeakPolarHBondContact CA-O 3.48Å; F145-D158 HydrophobicContact CD2-CB 4.29Å; F145-D158 PolarHBondContact N-O 3.07Å; L155-D158 HydrophobicContact CD2-CB 4.16Å; L155-D158 WeakPolarHBondContact CD2-OD2 3.38Å; N156-D158 VanDerWaalsContact C-N 3.33Å | ||
| 159 | I | 96.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.8 | -174.2 | -54.5 | 174.3 | 0 | 0 | 0 | 109 | I113 D114 I115 L116 T144 F161 L184 E187 I188 A191 | I113-I159 HydrophobicContact CG2-CD1 4Å; I113-I159 HydrophobicContact CG2-CG1 4.08Å; D114-I159 PolarHBondContact O-N 3.21Å; I115-I159 WeakPolarHBondContact CA-O 3.43Å; I115-I159 HydrophobicContact CG1-CB 4.37Å; I115-I159 HydrophobicContact CG1-CD1 4.5Å; L116-I159 PolarHBondContact N-O 2.95Å; T144-I159 HydrophobicContact CG2-CG1 3.84Å; I159-F161 HydrophobicContact CB-CE2 4.31Å; I159-F161 HydrophobicContact CG2-CD2 4.06Å; I159-F161 HydrophobicContact CG2-CE2 3.32Å; I159-F161 HydrophobicContact CG2-CZ 3.67Å; I159-L184 HydrophobicContact CD1-CD1 4.06Å; I159-E187 HydrophobicContact CD1-CB 4.14Å; I159-E187 HydrophobicContact CG1-CB 4.34Å; I159-E187 HydrophobicContact CG2-CB 3.53Å; I159-E187 HydrophobicContact CG2-CG 3.91Å; I159-I188 HydrophobicContact CD1-CG1 3.9Å; I159-A191 HydrophobicContact CD1-CB 4.24Å; I159-A191 HydrophobicContact CG1-CB 4.32Å |
| 160 | H | 96.4 | Very high | 87.2 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.6 | 177.9 | -59.3 | 176.7 | 0 | 0 | 0 | 110.3 | L116 H122 D124 F128 A142 H143 F145 | L116-H160 CarbonylContact O-C 3.54Å; L116-H160 WeakPolarHBondContact O-CA 3.41Å; H122-H160 AromaticContact CD2-CE1 3.92Å; H122-H160 AromaticContact CD2-ND1 3.24Å; H122-H160 PolarHBondContact CD2-ND1 3.11Å; H122-H160 AromaticContact NE2-CG 3.71Å; H122-H160 AromaticContact NE2-ND1 3Å; H122-H160 PolarHBondContact NE2-ND1 3.38Å; D124-H160 IonicContact OD2-CE1 3.89Å; D124-H160 PolarHBondContact OD2-CE1 3.18Å; D124-H160 IonicContact OD2-ND1 2.57Å; D124-H160 PolarHBondContact OD2-ND1 2.57Å; F128-H160 HydrophobicContact CE2-CB 4.03Å; F128-H160 HydrophobicContact CZ-CB 3.66Å; A142-H160 CarbonylContact C-O 3.57Å; A142-H160 WeakPolarHBondContact CA-O 3.25Å; A142-H160 WeakPolarHBondContact CB-O 3.31Å; H143-H160 PolarHBondContact N-O 3.2Å; H143-H160 AromaticContact NE2-CG 3.64Å; H143-H160 AromaticContact NE2-ND1 3.24Å; H143-H160 PolarHBondContact NE2-ND1 3.39Å; H143-H160 PolarHBondContact O-N 2.88Å; F145-H160 AromaticContact CE2-CE1 3.77Å |
| 161 | F | 96.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.1 | 175.8 | -66.8 | -91.3 | 0 | 0 | 0 | 109.9 | I115 L116 F117 A118 F128 A142 I159 D163 W167 F180 V183 L184 | I115-F161 HydrophobicContact CG2-CD2 4.03Å; I115-F161 HydrophobicContact CG2-CE2 3.77Å; L116-F161 PolarHBondContact O-N 2.9Å; F117-F161 HydrophobicContact CD1-CB 3.69Å; F117-F161 HydrophobicContact CD1-CG 4.41Å; F117-F161 HydrophobicContact CE1-CB 3.86Å; F117-F161 HydrophobicContact CE1-CG 4.15Å; F117-F161 HydrophobicContact CG-CB 4.27Å; F117-F161 HydrophobicContact CZ-CD2 4.43Å; F117-F161 HydrophobicContact CZ-CG 4.47Å; A118-F161 PolarHBondContact N-O 3.31Å; F128-F161 VanDerWaalsContact CE2-C 3.45Å; F128-F161 WeakPolarHBondContact CE2-O 3.31Å; F128-F161 VanDerWaalsContact CZ-C 3.48Å; A142-F161 HydrophobicContact CB-CD1 3.86Å; A142-F161 HydrophobicContact CB-CE1 4.13Å; A142-F161 HydrophobicContact CB-CG 4.42Å; I159-F161 HydrophobicContact CB-CE2 4.31Å; I159-F161 HydrophobicContact CG2-CD2 4.06Å; I159-F161 HydrophobicContact CG2-CE2 3.32Å; I159-F161 HydrophobicContact CG2-CZ 3.67Å; F161-D163 PolarHBondContact O-N 3.07Å; F161-W167 HydrophobicContact CB-CZ2 3.86Å; F161-W167 AromaticContact CD1-CH2 3.62Å; F161-W167 HydrophobicContact CD1-CH2 3.62Å; F161-W167 AromaticContact CD1-CZ2 3.73Å; F161-W167 HydrophobicContact CD1-CZ2 3.73Å; F161-W167 HydrophobicContact CD1-CZ3 4.32Å; F161-W167 HydrophobicContact CE1-CH2 4.37Å; F161-W167 HydrophobicContact CG-CZ2 4.29Å; F161-F180 AromaticContact CD1-CD2 3.83Å; F161-F180 HydrophobicContact CD1-CD2 3.83Å; F161-F180 AromaticContact CD1-CE2 3.86Å; F161-F180 HydrophobicContact CD1-CE2 3.86Å; F161-F180 AromaticContact CD2-CE2 3.96Å; F161-F180 HydrophobicContact CD2-CE2 3.96Å; F161-F180 AromaticContact CE1-CD2 3.64Å; F161-F180 HydrophobicContact CE1-CD2 3.64Å; F161-F180 AromaticContact CE1-CE2 3.53Å; F161-F180 HydrophobicContact CE1-CE2 3.53Å; F161-F180 AromaticContact CE2-CE2 3.66Å; F161-F180 HydrophobicContact CE2-CE2 3.66Å; F161-F180 HydrophobicContact CE2-CZ 4.46Å; F161-F180 HydrophobicContact CG-CD2 4.36Å; F161-F180 HydrophobicContact CG-CE2 4.07Å; F161-F180 HydrophobicContact CZ-CD2 4.06Å; F161-F180 AromaticContact CZ-CE2 3.45Å; F161-F180 HydrophobicContact CZ-CE2 3.45Å; F161-F180 VanDerWaalsContact CZ-CE2 3.45Å; F161-F180 HydrophobicContact CZ-CZ 4.37Å; F161-V183 HydrophobicContact CD1-CG1 4.23Å; F161-V183 HydrophobicContact CE1-CB 4.21Å; F161-V183 HydrophobicContact CE1-CG1 3.7Å; F161-L184 HydrophobicContact CE1-CB 4.34Å; F161-L184 HydrophobicContact CE2-CD1 3.98Å; F161-L184 HydrophobicContact CZ-CB 3.8Å; F161-L184 HydrophobicContact CZ-CD1 3.64Å; F161-L184 HydrophobicContact CZ-CG 4.29Å |
| 162 | D | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 104.8 | 174.1 | -173.1 | 1.1 | 0 | 0 | 0 | 109.7 | A118 F128 G130 L141 S164 E165 W167 | A118-D162 CarbonylContact O-C 3.53Å; A118-D162 WeakPolarHBondContact O-CA 3.25Å; F128-D162 HydrophobicContact CB-CB 3.93Å; F128-D162 HydrophobicContact CD1-CB 3.64Å; F128-D162 HydrophobicContact CD2-CB 3.93Å; F128-D162 HydrophobicContact CE1-CB 4.12Å; F128-D162 HydrophobicContact CE2-CB 4.36Å; F128-D162 HydrophobicContact CG-CB 3.55Å; F128-D162 HydrophobicContact CZ-CB 4.46Å; G130-D162 VanDerWaalsContact C-OD2 3.29Å; G130-D162 VanDerWaalsContact CA-OD2 3.3Å; G130-D162 WeakPolarHBondContact CA-OD2 3.44Å; G130-D162 PolarHBondContact N-OD2 3.29Å; L141-D162 PolarHBondContact O-N 3.32Å; D162-S164 PolarHBondContact O-N 3.27Å; D162-S164 WeakPolarHBondContact OD1-CB 3.39Å; D162-S164 PolarHBondContact OD1-N 3.41Å; D162-S164 PolarHBondContact OD1-OG 3.2Å; D162-E165 HydrophobicContact CB-CG 4.24Å; D162-E165 WeakPolarHBondContact O-CB 2.96Å; D162-E165 PolarHBondContact O-N 3.45Å; D162-W167 PolarHBondContact O-NE1 3.03Å |
| 163 | D | 95.6 | Very high | 88.7 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -2.9 | 179.3 | -158.7 | 30 | 0 | 0 | 0 | 112.7 | S67 K69 F117 A118 T119 F161 E165 | S67-D163 WeakPolarHBondContact CA-OD1 3.4Å; S67-D163 WeakPolarHBondContact CB-OD1 3.22Å; S67-D163 PolarHBondContact OG-OD1 3.14Å; K69-D163 PolarHBondContact NZ-O 3.23Å; F117-D163 HydrophobicContact CB-CB 4Å; A118-D163 PolarHBondContact O-N 3.2Å; T119-D163 HydrophobicContact CG2-CB 3.84Å; F161-D163 PolarHBondContact O-N 3.07Å; D163-E165 VanDerWaalsContact C-N 3.25Å |
| 164 | S | 93.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 42 Ų | 42 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -25.8 | 170.5 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | K69 T119 D162 | K69-S164 PolarHBondContact NZ-O 3.11Å; K69-S164 VanDerWaalsContact NZ-O 3.07Å; T119-S164 VanDerWaalsContact CG2-OG 3.32Å; T119-S164 WeakPolarHBondContact CG2-OG 3.19Å; D162-S164 PolarHBondContact O-N 3.27Å; D162-S164 WeakPolarHBondContact OD1-CB 3.39Å; D162-S164 PolarHBondContact OD1-N 3.41Å; D162-S164 PolarHBondContact OD1-OG 3.2Å |
| 165 | E | 91.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -68 | 152.7 | 176.2 | -69 | -64 | 149.9 | 0 | 0 | 112.6 | K69 G131 K132 L141 D162 D163 W167 P178 | K69-E165 PolarHBondContact NZ-O 3.35Å; G131-E165 WeakPolarHBondContact CA-OE1 3.37Å; K132-E165 PolarHBondContact N-OE1 3.4Å; L141-E165 HydrophobicContact CD2-CG 3.8Å; D162-E165 HydrophobicContact CB-CG 4.24Å; D162-E165 WeakPolarHBondContact O-CB 2.96Å; D162-E165 PolarHBondContact O-N 3.45Å; D163-E165 VanDerWaalsContact C-N 3.25Å; E165-W167 HydrophobicContact CB-CD2 4.37Å; E165-W167 HydrophobicContact CB-CZ2 4.25Å; E165-W167 PolarHBondContact O-N 2.98Å; E165-P178 HydrophobicContact CB-CG 3.77Å; E165-P178 HydrophobicContact CG-CG 4.21Å |
| 166 | N | 91.2 | Very high | 88 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | trans | -92.5 | 71 | 175 | -72.1 | -36.6 | 0 | 0 | 0 | 109.8 | N177 | N166-N177 WeakPolarHBondContact O-CB 3.24Å; N166-N177 PolarHBondContact O-ND2 3.4Å | ||
| 167 | W | 93.2 | Very high | 88.1 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | trans | -53.7 | 138.9 | -178.4 | -65.4 | 106 | 0 | 0 | 0 | 113.1 | L70 F117 L141 F161 D162 E165 P178 F180 V183 | L70-W167 HydrophobicContact CD1-CB 3.85Å; L70-W167 HydrophobicContact CD1-CG 4.48Å; L70-W167 HydrophobicContact CD2-CB 3.93Å; L70-W167 WeakPolarHBondContact CD2-O 3.41Å; L70-W167 HydrophobicContact CG-CB 4.11Å; F117-W167 AromaticContact CE1-CD1 3.95Å; F117-W167 HydrophobicContact CE1-CG 4.32Å; L141-W167 HydrophobicContact CB-CH2 3.68Å; L141-W167 HydrophobicContact CB-CZ2 4.27Å; L141-W167 HydrophobicContact CD1-CH2 4.37Å; L141-W167 HydrophobicContact CD1-CZ3 4.48Å; L141-W167 VanDerWaalsContact O-CZ2 3.28Å; L141-W167 WeakPolarHBondContact O-CZ2 3.2Å; F161-W167 HydrophobicContact CB-CZ2 3.86Å; F161-W167 AromaticContact CD1-CH2 3.62Å; F161-W167 HydrophobicContact CD1-CH2 3.62Å; F161-W167 AromaticContact CD1-CZ2 3.73Å; F161-W167 HydrophobicContact CD1-CZ2 3.73Å; F161-W167 HydrophobicContact CD1-CZ3 4.32Å; F161-W167 HydrophobicContact CE1-CH2 4.37Å; F161-W167 HydrophobicContact CG-CZ2 4.29Å; D162-W167 PolarHBondContact O-NE1 3.03Å; E165-W167 HydrophobicContact CB-CD2 4.37Å; E165-W167 HydrophobicContact CB-CZ2 4.25Å; E165-W167 PolarHBondContact O-N 2.98Å; W167-P178 HydrophobicContact CD2-CG 4.14Å; W167-P178 HydrophobicContact CE3-CB 3.84Å; W167-P178 HydrophobicContact CE3-CG 3.74Å; W167-P178 HydrophobicContact CH2-CB 4.45Å; W167-P178 HydrophobicContact CZ3-CB 3.73Å; W167-P178 HydrophobicContact CZ3-CG 4.01Å; W167-F180 HydrophobicContact CB-CB 4.31Å; W167-F180 HydrophobicContact CD2-CB 4.21Å; W167-F180 HydrophobicContact CE3-CB 3.61Å; W167-F180 HydrophobicContact CE3-CD2 4.34Å; W167-F180 HydrophobicContact CE3-CG 4.49Å; W167-F180 HydrophobicContact CZ3-CB 4.24Å; W167-V183 HydrophobicContact CH2-CB 4.46Å; W167-V183 HydrophobicContact CH2-CG1 4.18Å; W167-V183 HydrophobicContact CH2-CG2 4.43Å; W167-V183 HydrophobicContact CZ3-CB 4.19Å; W167-V183 HydrophobicContact CZ3-CG1 4.41Å; W167-V183 HydrophobicContact CZ3-CG2 3.99Å | ||
| 168 | T | 93.5 | Very high | 88 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.104 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -120.1 | 143.7 | 171 | 178 | 0 | 0 | 0 | 0 | 111.4 | D170 N177 P178 Y179 F180 | T168-D170 WeakPolarHBondContact CG2-O 3.49Å; T168-D170 PolarHBondContact OG1-N 3.09Å; T168-D170 PolarHBondContact OG1-O 2.87Å; T168-N177 HydrophobicContact CG2-CB 4.1Å; T168-P178 WeakPolarHBondContact CG2-O 3.07Å; T168-P178 PolarHBondContact N-O 3.33Å; T168-Y179 HydrophobicContact CG2-CD2 4.39Å; T168-F180 PolarHBondContact O-N 3.32Å; T168-F180 VanDerWaalsContact O-N 3.07Å |
| 169 | L | 94 | Very high | 87.9 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -93.1 | -6.6 | 168.7 | -53.6 | -176.1 | 0 | 0 | 0 | 112.6 | L70 A74 V78 Y179 F180 | L70-L169 HydrophobicContact CD1-CD2 4.24Å; L70-L169 HydrophobicContact CD2-CD2 4.15Å; L70-L169 HydrophobicContact CD2-CG 4.06Å; A74-L169 HydrophobicContact CB-CD1 3.57Å; V78-L169 HydrophobicContact CG2-CD2 4.25Å; L169-Y179 WeakPolarHBondContact O-CE2 3.31Å; L169-F180 HydrophobicContact CD2-CB 4.33Å; L169-F180 HydrophobicContact CD2-CD1 3.67Å; L169-F180 HydrophobicContact CD2-CG 4.42Å |
| 170 | D | 89.5 | Confident | 87.8 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | trans | -108.8 | 116.6 | 178.5 | -179.3 | -12.9 | 0 | 0 | 0 | 109.5 | T168 Y172 R173 | T168-D170 WeakPolarHBondContact CG2-O 3.49Å; T168-D170 PolarHBondContact OG1-N 3.09Å; T168-D170 PolarHBondContact OG1-O 2.87Å; D170-Y172 PolarHBondContact O-N 3.08Å; D170-Y172 WeakPolarHBondContact OD1-CB 3.1Å; D170-Y172 WeakPolarHBondContact OD1-CD2 3.46Å; D170-Y172 PolarHBondContact OD1-N 3.32Å; D170-R173 HydrophobicContact CB-CB 4.06Å; D170-R173 HydrophobicContact CB-CG 4.2Å; D170-R173 PolarHBondContact O-N 2.83Å; D170-R173 PolarHBondContact OD1-N 2.89Å; D170-R173 WeakPolarHBondContact OD2-CD 3.01Å; D170-R173 WeakPolarHBondContact OD2-CG 3.23Å; D170-R173 IonicContact OD2-NE 3.19Å; D170-R173 PolarHBondContact OD2-NE 3.27Å | ||
| 171 | P | 84.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -68.7 | -23.1 | -178.3 | 29.3 | -33.6 | 0 | 0 | 0 | 112.4 | S174 Y179 S210 P212 | P171-S174 VanDerWaalsContact O-CB 3.27Å; P171-S174 WeakPolarHBondContact O-CB 3.11Å; P171-S174 PolarHBondContact O-OG 3.4Å; P171-Y179 HydrophobicContact CB-CD1 4.29Å; P171-Y179 HydrophobicContact CB-CD2 3.93Å; P171-Y179 HydrophobicContact CB-CE1 4.11Å; P171-Y179 HydrophobicContact CB-CE2 3.7Å; P171-Y179 HydrophobicContact CB-CG 4.23Å; P171-Y179 VanDerWaalsContact CD-CE2 3.45Å; P171-Y179 HydrophobicContact CG-CE2 4.03Å; P171-Y179 VanDerWaalsContact N-CE2 3.34Å; P171-S210 WeakPolarHBondContact CB-O 3.13Å; P171-P212 HydrophobicContact CB-CB 4.46Å; P171-P212 HydrophobicContact CB-CG 4.09Å; P171-P212 HydrophobicContact CG-CB 3.81Å; P171-P212 HydrophobicContact CG-CG 3.68Å |
| 172 | Y | 82.7 | Confident | 87.8 | Confident | 193 Ų | 193 | 44.7 Ų | 44.7 | 76% | 0.757 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -22.3 | -179.3 | -53.9 | -72.1 | 0 | 0 | 0 | 112.6 | D170 S174 | D170-Y172 PolarHBondContact O-N 3.08Å; D170-Y172 WeakPolarHBondContact OD1-CB 3.1Å; D170-Y172 WeakPolarHBondContact OD1-CD2 3.46Å; D170-Y172 PolarHBondContact OD1-N 3.32Å; Y172-S174 PolarHBondContact O-N 2.97Å |
| 173 | R | 70.6 | Confident | 87.8 | Confident | 185 Ų | 185 | 44.8 Ų | 44.8 | 70% | 0.698 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 12.6 | 171.1 | -67.6 | 176.9 | -176.4 | -164.4 | -2.6 | 113.1 | D170 S175 | D170-R173 HydrophobicContact CB-CB 4.06Å; D170-R173 HydrophobicContact CB-CG 4.2Å; D170-R173 PolarHBondContact O-N 2.83Å; D170-R173 PolarHBondContact OD1-N 2.89Å; D170-R173 WeakPolarHBondContact OD2-CD 3.01Å; D170-R173 WeakPolarHBondContact OD2-CG 3.23Å; D170-R173 IonicContact OD2-NE 3.19Å; D170-R173 PolarHBondContact OD2-NE 3.27Å; R173-S175 PolarHBondContact O-N 2.97Å |
| 174 | S | 64.6 | Low | 88 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | trans | -77.1 | 29.4 | -178 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | P171 Y172 G176 N177 | P171-S174 VanDerWaalsContact O-CB 3.27Å; P171-S174 WeakPolarHBondContact O-CB 3.11Å; P171-S174 PolarHBondContact O-OG 3.4Å; Y172-S174 PolarHBondContact O-N 2.97Å; S174-G176 PolarHBondContact O-N 2.68Å; S174-N177 PolarHBondContact O-N 3.23Å | ||
| 175 | S | 67.7 | Low | 88.2 | Confident | 116 Ų | 116 | 42 Ų | 42 | 81% | 0.811 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -64.5 | 59.5 | -177.2 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | R173 | R173-S175 PolarHBondContact O-N 2.97Š|
| 176 | G | 78.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 102.6 | -5.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R27 S174 | R27-G176 VanDerWaalsContact CZ-O 3.32Å; R27-G176 PolarHBondContact NH1-O 3.41Å; R27-G176 PolarHBondContact NH2-O 3.37Å; S174-G176 PolarHBondContact O-N 2.68Å |
| 177 | N | 87.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 31% | 0.31 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -101.3 | 142.8 | -179.6 | -77.9 | -3.3 | 0 | 0 | 0 | 112.4 | R27 N166 T168 S174 | R27-N177 PolarHBondContact NH1-O 2.89Å; N166-N177 WeakPolarHBondContact O-CB 3.24Å; N166-N177 PolarHBondContact O-ND2 3.4Å; T168-N177 HydrophobicContact CG2-CB 4.1Å; S174-N177 PolarHBondContact O-N 3.23Å |
| 178 | P | 90.3 | Very high | 89 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | -72.6 | 136.4 | 178.9 | 27.1 | -29.2 | 0 | 0 | 0 | 112.1 | L141 E165 W167 T168 F180 | L141-P178 HydrophobicContact CD1-CB 3.56Å; L141-P178 HydrophobicContact CD2-CB 4.15Å; L141-P178 HydrophobicContact CD2-CG 4.33Å; L141-P178 HydrophobicContact CG-CB 4.5Å; E165-P178 HydrophobicContact CB-CG 3.77Å; E165-P178 HydrophobicContact CG-CG 4.21Å; W167-P178 HydrophobicContact CD2-CG 4.14Å; W167-P178 HydrophobicContact CE3-CB 3.84Å; W167-P178 HydrophobicContact CE3-CG 3.74Å; W167-P178 HydrophobicContact CH2-CB 4.45Å; W167-P178 HydrophobicContact CZ3-CB 3.73Å; W167-P178 HydrophobicContact CZ3-CG 4.01Å; T168-P178 WeakPolarHBondContact CG2-O 3.07Å; T168-P178 PolarHBondContact N-O 3.33Å; P178-F180 PolarHBondContact O-N 3.43Å | ||
| 179 | Y | 93.5 | Very high | 89.1 | Confident | 13 Ų | 13 | 36 Ų | 36 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 98.6 | -179.6 | -178.4 | -122.1 | 0 | 0 | 0 | 110.4 | T168 L169 P171 P181 Y182 V183 T211 L213 | T168-Y179 HydrophobicContact CG2-CD2 4.39Å; L169-Y179 WeakPolarHBondContact O-CE2 3.31Å; P171-Y179 HydrophobicContact CB-CD1 4.29Å; P171-Y179 HydrophobicContact CB-CD2 3.93Å; P171-Y179 HydrophobicContact CB-CE1 4.11Å; P171-Y179 HydrophobicContact CB-CE2 3.7Å; P171-Y179 HydrophobicContact CB-CG 4.23Å; P171-Y179 VanDerWaalsContact CD-CE2 3.45Å; P171-Y179 HydrophobicContact CG-CE2 4.03Å; P171-Y179 VanDerWaalsContact N-CE2 3.34Å; Y179-P181 VanDerWaalsContact C-CD 3.49Å; Y179-P181 HydrophobicContact CD1-CB 4.45Å; Y179-P181 HydrophobicContact CD2-CG 4.09Å; Y179-P181 HydrophobicContact CE1-CB 3.74Å; Y179-P181 HydrophobicContact CE1-CG 4.03Å; Y179-P181 HydrophobicContact CE2-CB 4.1Å; Y179-P181 VanDerWaalsContact CE2-CD 3.47Å; Y179-P181 HydrophobicContact CE2-CG 3.44Å; Y179-P181 VanDerWaalsContact CE2-CG 3.44Å; Y179-P181 VanDerWaalsContact CZ-CG 3.41Å; Y179-Y182 PolarHBondContact O-N 3.19Å; Y179-V183 PolarHBondContact O-N 2.79Å; Y179-T211 WeakPolarHBondContact CE1-O 3.37Å; Y179-L213 PolarHBondContact OH-N 3.31Å; Y179-L213 VanDerWaalsContact OH-N 3.15Å |
| 180 | F | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.3 | -47.2 | -175.3 | 167.2 | -107.1 | 0 | 0 | 0 | 113.6 | L70 T75 V78 V79 F117 F161 W167 T168 L169 P178 Y182 V183 L184 | L70-F180 HydrophobicContact CD1-CG 4.46Å; T75-F180 HydrophobicContact CG2-CE1 3.92Å; T75-F180 HydrophobicContact CG2-CZ 4.2Å; V78-F180 HydrophobicContact CB-CE1 4.41Å; V78-F180 HydrophobicContact CG1-CD1 3.81Å; V78-F180 HydrophobicContact CG1-CE1 3.67Å; V79-F180 HydrophobicContact CG2-CE1 4.37Å; V79-F180 HydrophobicContact CG2-CZ 4.17Å; F117-F180 AromaticContact CE1-CD2 3.99Å; F117-F180 HydrophobicContact CE1-CD2 3.99Å; F117-F180 AromaticContact CE1-CE2 3.93Å; F117-F180 HydrophobicContact CE1-CE2 3.93Å; F117-F180 HydrophobicContact CE2-CE2 4.08Å; F117-F180 HydrophobicContact CE2-CZ 4.2Å; F117-F180 AromaticContact CZ-CD2 3.72Å; F117-F180 HydrophobicContact CZ-CD2 3.72Å; F117-F180 HydrophobicContact CZ-CE1 4.37Å; F117-F180 AromaticContact CZ-CE2 3.26Å; F117-F180 HydrophobicContact CZ-CE2 3.26Å; F117-F180 HydrophobicContact CZ-CG 4.44Å; F117-F180 AromaticContact CZ-CZ 3.63Å; F117-F180 HydrophobicContact CZ-CZ 3.63Å; F161-F180 AromaticContact CD1-CD2 3.83Å; F161-F180 HydrophobicContact CD1-CD2 3.83Å; F161-F180 AromaticContact CD1-CE2 3.86Å; F161-F180 HydrophobicContact CD1-CE2 3.86Å; F161-F180 AromaticContact CD2-CE2 3.96Å; F161-F180 HydrophobicContact CD2-CE2 3.96Å; F161-F180 AromaticContact CE1-CD2 3.64Å; F161-F180 HydrophobicContact CE1-CD2 3.64Å; F161-F180 AromaticContact CE1-CE2 3.53Å; F161-F180 HydrophobicContact CE1-CE2 3.53Å; F161-F180 AromaticContact CE2-CE2 3.66Å; F161-F180 HydrophobicContact CE2-CE2 3.66Å; F161-F180 HydrophobicContact CE2-CZ 4.46Å; F161-F180 HydrophobicContact CG-CD2 4.36Å; F161-F180 HydrophobicContact CG-CE2 4.07Å; F161-F180 HydrophobicContact CZ-CD2 4.06Å; F161-F180 AromaticContact CZ-CE2 3.45Å; F161-F180 HydrophobicContact CZ-CE2 3.45Å; F161-F180 VanDerWaalsContact CZ-CE2 3.45Å; F161-F180 HydrophobicContact CZ-CZ 4.37Å; W167-F180 HydrophobicContact CB-CB 4.31Å; W167-F180 HydrophobicContact CD2-CB 4.21Å; W167-F180 HydrophobicContact CE3-CB 3.61Å; W167-F180 HydrophobicContact CE3-CD2 4.34Å; W167-F180 HydrophobicContact CE3-CG 4.49Å; W167-F180 HydrophobicContact CZ3-CB 4.24Å; T168-F180 PolarHBondContact O-N 3.32Å; T168-F180 VanDerWaalsContact O-N 3.07Å; L169-F180 HydrophobicContact CD2-CB 4.33Å; L169-F180 HydrophobicContact CD2-CD1 3.67Å; L169-F180 HydrophobicContact CD2-CG 4.42Å; P178-F180 PolarHBondContact O-N 3.43Å; F180-Y182 PolarHBondContact O-N 3.01Å; F180-V183 PolarHBondContact O-N 2.77Å; F180-L184 HydrophobicContact CE1-CD2 4.13Å; F180-L184 HydrophobicContact CE2-CB 4.25Å; F180-L184 HydrophobicContact CZ-CB 4.28Å; F180-L184 HydrophobicContact CZ-CD2 3.81Å; F180-L184 HydrophobicContact CZ-CG 4.5Å; F180-L184 PolarHBondContact O-N 3.1Å |
| 181 | P | 96.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.7 | -42.9 | -177.1 | -25.1 | 32.4 | 0 | 0 | 0 | 114.5 | V78 Y179 L184 V185 L213 | V78-P181 HydrophobicContact CG1-CB 3.74Å; V78-P181 HydrophobicContact CG1-CG 3.64Å; V78-P181 HydrophobicContact CG2-CG 4.21Å; Y179-P181 VanDerWaalsContact C-CD 3.49Å; Y179-P181 HydrophobicContact CD1-CB 4.45Å; Y179-P181 HydrophobicContact CD2-CG 4.09Å; Y179-P181 HydrophobicContact CE1-CB 3.74Å; Y179-P181 HydrophobicContact CE1-CG 4.03Å; Y179-P181 HydrophobicContact CE2-CB 4.1Å; Y179-P181 VanDerWaalsContact CE2-CD 3.47Å; Y179-P181 HydrophobicContact CE2-CG 3.44Å; Y179-P181 VanDerWaalsContact CE2-CG 3.44Å; Y179-P181 VanDerWaalsContact CZ-CG 3.41Å; P181-L184 PolarHBondContact O-N 3.34Å; P181-V185 WeakPolarHBondContact O-CG2 3.2Å; P181-V185 PolarHBondContact O-N 3.19Å; P181-V185 VanDerWaalsContact O-N 3.14Å; P181-L213 HydrophobicContact CB-CB 4.24Å; P181-L213 HydrophobicContact CB-CD1 4.04Å; P181-L213 HydrophobicContact CB-CD2 4.25Å; P181-L213 HydrophobicContact CB-CG 4.43Å |
| 182 | Y | 95.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.6 | -41.4 | -179.8 | -172.8 | -85.9 | 0 | 0 | 0 | 111.9 | Y179 F180 L184 V185 H186 K209 V216 | Y179-Y182 PolarHBondContact O-N 3.19Å; F180-Y182 PolarHBondContact O-N 3.01Å; Y182-L184 VanDerWaalsContact C-N 3.3Å; Y182-L184 PolarHBondContact O-N 3.46Å; Y182-V185 PolarHBondContact O-N 3.01Å; Y182-H186 PolarHBondContact O-N 2.89Å; Y182-H186 VanDerWaalsContact O-N 3.14Å; Y182-K209 WeakPolarHBondContact CB-O 3.4Å; Y182-K209 HydrophobicContact CD1-CB 4.2Å; Y182-K209 WeakPolarHBondContact CD1-O 3.39Å; Y182-K209 HydrophobicContact CD2-CB 4.37Å; Y182-K209 HydrophobicContact CE1-CB 3.76Å; Y182-K209 HydrophobicContact CE1-CG 4.01Å; Y182-K209 VanDerWaalsContact CE1-N 3.27Å; Y182-K209 HydrophobicContact CE2-CB 3.96Å; Y182-K209 HydrophobicContact CE2-CD 4.33Å; Y182-K209 HydrophobicContact CE2-CG 4.43Å; Y182-K209 HydrophobicContact CG-CB 4.49Å; Y182-K209 VanDerWaalsContact CG-O 3.28Å; Y182-K209 WeakPolarHBondContact OH-CD 3.43Å; Y182-V216 HydrophobicContact CD2-CG2 3.8Å; Y182-V216 HydrophobicContact CE2-CG2 4.13Å |
| 183 | V | 96 | Very high | 90.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | L141 A142 F161 W167 Y179 F180 V185 H186 E187 Y208 | L141-V183 HydrophobicContact CD1-CG2 4.04Å; A142-V183 HydrophobicContact CB-CG1 3.81Å; F161-V183 HydrophobicContact CD1-CG1 4.23Å; F161-V183 HydrophobicContact CE1-CB 4.21Å; F161-V183 HydrophobicContact CE1-CG1 3.7Å; W167-V183 HydrophobicContact CH2-CB 4.46Å; W167-V183 HydrophobicContact CH2-CG1 4.18Å; W167-V183 HydrophobicContact CH2-CG2 4.43Å; W167-V183 HydrophobicContact CZ3-CB 4.19Å; W167-V183 HydrophobicContact CZ3-CG1 4.41Å; W167-V183 HydrophobicContact CZ3-CG2 3.99Å; Y179-V183 PolarHBondContact O-N 2.79Å; F180-V183 PolarHBondContact O-N 2.77Å; V183-V185 PolarHBondContact O-N 3.07Å; V183-H186 WeakPolarHBondContact O-CB 3.5Å; V183-H186 PolarHBondContact O-N 2.72Å; V183-H186 VanDerWaalsContact O-N 3.14Å; V183-E187 HydrophobicContact CG1-CG 4.17Å; V183-E187 WeakPolarHBondContact O-CG 3.3Å; V183-E187 PolarHBondContact O-N 3.47Å; V183-Y208 HydrophobicContact CB-CD1 4.45Å; V183-Y208 HydrophobicContact CB-CE1 4.27Å; V183-Y208 HydrophobicContact CG1-CD1 4.46Å; V183-Y208 HydrophobicContact CG1-CE1 3.83Å; V183-Y208 HydrophobicContact CG1-CE2 4.08Å; V183-Y208 HydrophobicContact CG2-CD1 3.98Å; V183-Y208 HydrophobicContact CG2-CD2 3.98Å; V183-Y208 HydrophobicContact CG2-CE1 4.18Å; V183-Y208 HydrophobicContact CG2-CE2 4.15Å; V183-Y208 HydrophobicContact CG2-CG 3.87Å |
| 184 | L | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 177.2 | 177.1 | 64.2 | 0 | 0 | 0 | 113.1 | V79 A82 I115 I159 F161 F180 P181 Y182 H186 E187 I188 | V79-L184 HydrophobicContact CB-CD2 4.1Å; V79-L184 HydrophobicContact CG1-CD2 4.43Å; V79-L184 HydrophobicContact CG2-CD2 3.62Å; A82-L184 HydrophobicContact CB-CB 4.49Å; A82-L184 HydrophobicContact CB-CD2 3.61Å; A82-L184 HydrophobicContact CB-CG 3.85Å; I115-L184 HydrophobicContact CD1-CD1 4.12Å; I159-L184 HydrophobicContact CD1-CD1 4.06Å; F161-L184 HydrophobicContact CE1-CB 4.34Å; F161-L184 HydrophobicContact CE2-CD1 3.98Å; F161-L184 HydrophobicContact CZ-CB 3.8Å; F161-L184 HydrophobicContact CZ-CD1 3.64Å; F161-L184 HydrophobicContact CZ-CG 4.29Å; F180-L184 HydrophobicContact CE1-CD2 4.13Å; F180-L184 HydrophobicContact CE2-CB 4.25Å; F180-L184 HydrophobicContact CZ-CB 4.28Å; F180-L184 HydrophobicContact CZ-CD2 3.81Å; F180-L184 HydrophobicContact CZ-CG 4.5Å; F180-L184 PolarHBondContact O-N 3.1Å; P181-L184 PolarHBondContact O-N 3.34Å; Y182-L184 VanDerWaalsContact C-N 3.3Å; Y182-L184 PolarHBondContact O-N 3.46Å; L184-H186 VanDerWaalsContact C-N 3.27Å; L184-H186 PolarHBondContact O-N 3.22Å; L184-E187 PolarHBondContact O-N 3.41Å; L184-I188 HydrophobicContact CD1-CD1 4.05Å; L184-I188 HydrophobicContact CD1-CG1 4.03Å; L184-I188 HydrophobicContact CG-CD1 3.86Å; L184-I188 HydrophobicContact CG-CG1 4.32Å; L184-I188 VanDerWaalsContact O-CG1 3.23Å; L184-I188 WeakPolarHBondContact O-CG1 3.48Å; L184-I188 PolarHBondContact O-N 3.47Å |
| 185 | V | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | A82 I85 W86 P181 Y182 V183 G189 V203 L213 V216 | A82-V185 HydrophobicContact CB-CG2 3.69Å; I85-V185 HydrophobicContact CD1-CG1 4.45Å; I85-V185 HydrophobicContact CD1-CG2 3.74Å; I85-V185 HydrophobicContact CG2-CG1 4.05Å; W86-V185 PolarHBondContact NE1-O 3Å; P181-V185 WeakPolarHBondContact O-CG2 3.2Å; P181-V185 PolarHBondContact O-N 3.19Å; P181-V185 VanDerWaalsContact O-N 3.14Å; Y182-V185 PolarHBondContact O-N 3.01Å; V183-V185 PolarHBondContact O-N 3.07Å; V185-G189 PolarHBondContact O-N 3.47Å; V185-V203 HydrophobicContact CG1-CG1 3.82Å; V185-V203 HydrophobicContact CG1-CG2 4.44Å; V185-L213 HydrophobicContact CG2-CD1 3.46Å; V185-L213 VanDerWaalsContact CG2-CD1 3.46Å; V185-V216 HydrophobicContact CG1-CG1 4.26Å |
| 186 | H | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63 | -50.6 | 174.7 | 179.9 | 105.8 | 0 | 0 | 0 | 112 | C29 Y182 V183 L184 I188 G189 H190 H196 V203 N205 Y208 | C29-H186 WeakPolarHBondContact CB-NE2 3.28Å; Y182-H186 PolarHBondContact O-N 2.89Å; Y182-H186 VanDerWaalsContact O-N 3.14Å; V183-H186 WeakPolarHBondContact O-CB 3.5Å; V183-H186 PolarHBondContact O-N 2.72Å; V183-H186 VanDerWaalsContact O-N 3.14Å; L184-H186 VanDerWaalsContact C-N 3.27Å; L184-H186 PolarHBondContact O-N 3.22Å; H186-I188 VanDerWaalsContact C-N 3.32Å; H186-I188 PolarHBondContact O-N 3.09Å; H186-G189 WeakPolarHBondContact O-CA 3.48Å; H186-G189 PolarHBondContact O-N 2.89Å; H186-H190 AromaticContact CD2-CD2 3.71Å; H186-H190 AromaticContact CD2-NE2 3.63Å; H186-H190 AromaticContact NE2-CD2 3.7Å; H186-H190 AromaticContact NE2-NE2 3.1Å; H186-H190 PolarHBondContact NE2-NE2 3.2Å; H186-H190 PolarHBondContact O-N 3.01Å; H186-H196 AromaticContact CE1-CD2 3.6Å; H186-H196 AromaticContact CE1-NE2 3.77Å; H186-H196 AromaticContact NE2-CD2 3.53Å; H186-H196 AromaticContact NE2-NE2 3.35Å; H186-H196 PolarHBondContact NE2-NE2 3.44Å; H186-V203 HydrophobicContact CB-CG1 4.34Å; H186-V203 PolarHBondContact ND1-O 3.46Å; H186-N205 PolarHBondContact CE1-O 2.62Å; H186-N205 PolarHBondContact ND1-O 2.94Å; H186-Y208 HydrophobicContact CB-CD1 4.37Å; H186-Y208 HydrophobicContact CB-CE1 4.01Å; H186-Y208 AromaticContact CD2-CE1 3.82Å; H186-Y208 AromaticContact CG-CE1 3.8Å |
| 187 | E | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | -179.8 | -69.1 | -38.9 | 128.7 | 0 | 0 | 112.6 | C29 A142 T144 I159 V183 L184 G189 H190 A191 Y208 | C29-E187 PolarHBondContact SG-OE1 3.43Å; C29-E187 VanDerWaalsContact SG-OE1 3.34Å; A142-E187 HydrophobicContact CB-CG 3.77Å; T144-E187 WeakPolarHBondContact CB-OE2 3.12Å; T144-E187 PolarHBondContact N-OE2 3.1Å; T144-E187 WeakPolarHBondContact OG1-CB 3.24Å; T144-E187 PolarHBondContact OG1-O 3.21Å; T144-E187 PolarHBondContact OG1-OE2 3.29Å; I159-E187 HydrophobicContact CD1-CB 4.14Å; I159-E187 HydrophobicContact CG1-CB 4.34Å; I159-E187 HydrophobicContact CG2-CB 3.53Å; I159-E187 HydrophobicContact CG2-CG 3.91Å; V183-E187 HydrophobicContact CG1-CG 4.17Å; V183-E187 WeakPolarHBondContact O-CG 3.3Å; V183-E187 PolarHBondContact O-N 3.47Å; L184-E187 PolarHBondContact O-N 3.41Å; E187-G189 PolarHBondContact O-N 3.34Å; E187-H190 WeakPolarHBondContact O-CA 3.2Å; E187-H190 WeakPolarHBondContact O-CB 3.47Å; E187-H190 PolarHBondContact O-N 3.42Å; E187-H190 IonicContact OE2-CD2 3.1Å; E187-A191 PolarHBondContact O-N 2.86Å; E187-Y208 PolarHBondContact OE1-OH 2.86Å |
| 188 | I | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -58.4 | -33.9 | 171.8 | -68.7 | 163.8 | 0 | 0 | 0 | 111.2 | A82 F83 W86 I159 L184 H186 H190 A191 L192 | A82-I188 HydrophobicContact CB-CD1 3.74Å; F83-I188 HydrophobicContact CD1-CD1 3.9Å; F83-I188 HydrophobicContact CD1-CG1 4.23Å; F83-I188 HydrophobicContact CD1-CG2 3.9Å; F83-I188 HydrophobicContact CD2-CD1 4.04Å; F83-I188 HydrophobicContact CE1-CD1 4Å; F83-I188 HydrophobicContact CE1-CG1 3.87Å; F83-I188 HydrophobicContact CE1-CG2 3.81Å; F83-I188 HydrophobicContact CE2-CD1 4.12Å; F83-I188 HydrophobicContact CE2-CG1 4.44Å; F83-I188 HydrophobicContact CG-CD1 3.92Å; F83-I188 HydrophobicContact CZ-CD1 4.1Å; F83-I188 HydrophobicContact CZ-CG1 3.98Å; W86-I188 HydrophobicContact CG-CG2 3.92Å; I159-I188 HydrophobicContact CD1-CG1 3.9Å; L184-I188 HydrophobicContact CD1-CD1 4.05Å; L184-I188 HydrophobicContact CD1-CG1 4.03Å; L184-I188 HydrophobicContact CG-CD1 3.86Å; L184-I188 HydrophobicContact CG-CG1 4.32Å; L184-I188 VanDerWaalsContact O-CG1 3.23Å; L184-I188 WeakPolarHBondContact O-CG1 3.48Å; L184-I188 PolarHBondContact O-N 3.47Å; H186-I188 VanDerWaalsContact C-N 3.32Å; H186-I188 PolarHBondContact O-N 3.09Å; I188-H190 VanDerWaalsContact C-N 3.34Å; I188-H190 PolarHBondContact O-N 3.48Å; I188-A191 CarbonylContact O-C 3.6Å; I188-A191 WeakPolarHBondContact O-CB 3.41Å; I188-A191 PolarHBondContact O-N 3.21Å; I188-L192 HydrophobicContact CG2-CD1 4.02Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CB 3.49Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.35Å; I188-L192 PolarHBondContact O-N 3.2Å |
| 189 | G | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W86 V185 H186 E187 L192 G193 L194 | W86-G189 VanDerWaalsContact CZ2-CA 3.43Å; V185-G189 PolarHBondContact O-N 3.47Å; H186-G189 WeakPolarHBondContact O-CA 3.48Å; H186-G189 PolarHBondContact O-N 2.89Å; E187-G189 PolarHBondContact O-N 3.34Å; G189-L192 CarbonylContact O-C 3.55Å; G189-L192 WeakPolarHBondContact O-CB 3.33Å; G189-L192 PolarHBondContact O-N 2.86Å; G189-G193 PolarHBondContact O-N 3Å; G189-L194 VanDerWaalsContact O-CB 3.24Å; G189-L194 WeakPolarHBondContact O-CB 3.07Å; G189-L194 VanDerWaalsContact O-CG 3.28Å; G189-L194 WeakPolarHBondContact O-CG 3.18Å; G189-L194 PolarHBondContact O-N 2.76Å |
| 190 | H | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 171.3 | -69.4 | -47.2 | 0 | 0 | 0 | 112.4 | I31 T144 Y146 H186 E187 I188 L192 G193 L194 H196 M204 | I31-H190 HydrophobicContact CD1-CB 3.93Å; I31-H190 WeakPolarHBondContact CD1-CD2 3.39Å; I31-H190 VanDerWaalsContact CD1-CG 3.47Å; T144-H190 HydrophobicContact CG2-CB 3.67Å; Y146-H190 AromaticContact CZ-ND1 3.65Å; Y146-H190 PolarHBondContact OH-CE1 2.7Å; Y146-H190 PolarHBondContact OH-ND1 3.19Å; H186-H190 AromaticContact CD2-CD2 3.71Å; H186-H190 AromaticContact CD2-NE2 3.63Å; H186-H190 AromaticContact NE2-CD2 3.7Å; H186-H190 AromaticContact NE2-NE2 3.1Å; H186-H190 PolarHBondContact NE2-NE2 3.2Å; H186-H190 PolarHBondContact O-N 3.01Å; E187-H190 WeakPolarHBondContact O-CA 3.2Å; E187-H190 WeakPolarHBondContact O-CB 3.47Å; E187-H190 PolarHBondContact O-N 3.42Å; E187-H190 IonicContact OE2-CD2 3.1Å; I188-H190 VanDerWaalsContact C-N 3.34Å; I188-H190 PolarHBondContact O-N 3.48Å; H190-L192 PolarHBondContact O-N 3.31Å; H190-G193 WeakPolarHBondContact O-CA 3.4Å; H190-G193 PolarHBondContact O-N 3.07Å; H190-L194 PolarHBondContact ND1-O 3.37Å; H190-H196 AromaticContact CE1-CD2 3.47Å; H190-H196 PolarHBondContact CE1-CD2 2.84Å; H190-H196 VanDerWaalsContact CE1-CD2 3.47Å; H190-H196 AromaticContact CE1-NE2 3.68Å; H190-H196 AromaticContact NE2-CD2 3.47Å; H190-H196 PolarHBondContact NE2-CD2 3.26Å; H190-H196 AromaticContact NE2-NE2 3.29Å; H190-H196 PolarHBondContact NE2-NE2 3.2Å; H190-M204 WeakPolarHBondContact CE1-CE 3.19Å; H190-M204 WeakPolarHBondContact ND1-CE 3.46Å |
| 191 | A | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.4 | -23.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | W47 I113 T144 P147 G157 I159 E187 I188 G193 | W47-A191 PolarHBondContact NE1-O 2.95Å; I113-A191 HydrophobicContact CD1-CB 3.9Å; I113-A191 HydrophobicContact CG1-CB 4.34Å; T144-A191 HydrophobicContact CG2-CB 3.83Å; P147-A191 WeakPolarHBondContact CG-O 3.35Å; G157-A191 WeakPolarHBondContact O-CB 3.47Å; I159-A191 HydrophobicContact CD1-CB 4.24Å; I159-A191 HydrophobicContact CG1-CB 4.32Å; E187-A191 PolarHBondContact O-N 2.86Å; I188-A191 CarbonylContact O-C 3.6Å; I188-A191 WeakPolarHBondContact O-CB 3.41Å; I188-A191 PolarHBondContact O-N 3.21Å; A191-G193 VanDerWaalsContact C-N 3.33Å |
| 192 | L | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.9 | 170.5 | -70.4 | 170.3 | 0 | 0 | 0 | 113.3 | L57 L59 W86 L100 F102 I188 G189 H190 L226 N229 Y230 | L57-L192 HydrophobicContact CD2-CD2 3.98Å; L59-L192 HydrophobicContact CD1-CD2 3.99Å; W86-L192 HydrophobicContact CB-CD1 4.1Å; W86-L192 HydrophobicContact CD2-CD1 3.72Å; W86-L192 HydrophobicContact CE3-CD1 3.81Å; W86-L192 HydrophobicContact CG-CD1 3.88Å; L100-L192 HydrophobicContact CD1-CD1 3.79Å; L100-L192 HydrophobicContact CD1-CD2 4.21Å; F102-L192 HydrophobicContact CE1-CD2 4.26Å; F102-L192 HydrophobicContact CZ-CD1 4.28Å; F102-L192 HydrophobicContact CZ-CD2 3.98Å; I188-L192 HydrophobicContact CG2-CD1 4.02Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CB 3.49Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.35Å; I188-L192 PolarHBondContact O-N 3.2Å; G189-L192 CarbonylContact O-C 3.55Å; G189-L192 WeakPolarHBondContact O-CB 3.33Å; G189-L192 PolarHBondContact O-N 2.86Å; H190-L192 PolarHBondContact O-N 3.31Å; L192-L226 HydrophobicContact CB-CD1 4.08Å; L192-L226 HydrophobicContact CD1-CD1 4.07Å; L192-L226 HydrophobicContact CG-CD1 4.47Å; L192-N229 PolarHBondContact O-ND2 3.23Å; L192-Y230 WeakPolarHBondContact O-CE2 3.27Å; L192-Y230 PolarHBondContact O-OH 3.32Å |
| 193 | G | 92.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 7% | 0.072 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 8.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | S45 G189 H190 A191 | S45-G193 VanDerWaalsContact O-CA 3.24Å; S45-G193 WeakPolarHBondContact O-CA 3.5Å; G189-G193 PolarHBondContact O-N 3Å; H190-G193 WeakPolarHBondContact O-CA 3.4Å; H190-G193 PolarHBondContact O-N 3.07Å; A191-G193 VanDerWaalsContact C-N 3.33Å |
| 194 | L | 92.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -84.9 | 139.6 | -174.1 | -50.3 | -172.8 | 0 | 0 | 0 | 111.6 | W86 Y146 G189 H190 M204 A225 L226 | W86-L194 HydrophobicContact CH2-CD1 3.51Å; W86-L194 HydrophobicContact CZ3-CD1 3.59Å; Y146-L194 VanDerWaalsContact CE1-O 3.31Å; Y146-L194 WeakPolarHBondContact CE1-O 3.41Å; Y146-L194 PolarHBondContact OH-O 3.26Å; G189-L194 VanDerWaalsContact O-CB 3.24Å; G189-L194 WeakPolarHBondContact O-CB 3.07Å; G189-L194 VanDerWaalsContact O-CG 3.28Å; G189-L194 WeakPolarHBondContact O-CG 3.18Å; G189-L194 PolarHBondContact O-N 2.76Å; H190-L194 PolarHBondContact ND1-O 3.37Å; L194-M204 HydrophobicContact CB-CE 4.1Å; L194-M204 HydrophobicContact CB-CG 4.29Å; L194-M204 HydrophobicContact CB-SD 4.35Å; L194-M204 HydrophobicContact CD1-CG 4.28Å; L194-A225 HydrophobicContact CD1-CB 4.41Å; L194-A225 HydrophobicContact CD2-CB 3.82Å; L194-L226 HydrophobicContact CD1-CB 4.27Å; L194-L226 HydrophobicContact CD2-CB 4.24Å |
| 195 | G | 89.8 | Confident | 93.2 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 13% | 0.134 | 8% | 0.081 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 168.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 196 | H | 91.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 7% | 0.069 | 8% | 0.081 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 148 | 176.8 | -72 | 156 | 0 | 0 | 0 | 113.7 | M7 C29 I31 D33 R40 H186 H190 M204 | M7-H196 HydrophobicContact CE-CB 3.47Å; M7-H196 VanDerWaalsContact CE-CB 3.47Å; C29-H196 WeakPolarHBondContact CB-NE2 3.32Å; I31-H196 PolarHBondContact O-CE1 2.94Å; D33-H196 IonicContact OD1-CE1 3.76Å; D33-H196 IonicContact OD1-ND1 3.34Å; D33-H196 PolarHBondContact OD1-ND1 2.99Å; R40-H196 VanDerWaalsContact CD-O 3.27Å; R40-H196 WeakPolarHBondContact CD-O 3.43Å; R40-H196 PolarHBondContact NE-O 2.93Å; H186-H196 AromaticContact CE1-CD2 3.6Å; H186-H196 AromaticContact CE1-NE2 3.77Å; H186-H196 AromaticContact NE2-CD2 3.53Å; H186-H196 AromaticContact NE2-NE2 3.35Å; H186-H196 PolarHBondContact NE2-NE2 3.44Å; H190-H196 AromaticContact CE1-CD2 3.47Å; H190-H196 PolarHBondContact CE1-CD2 2.84Å; H190-H196 VanDerWaalsContact CE1-CD2 3.47Å; H190-H196 AromaticContact CE1-NE2 3.68Å; H190-H196 AromaticContact NE2-CD2 3.47Å; H190-H196 PolarHBondContact NE2-CD2 3.26Å; H190-H196 AromaticContact NE2-NE2 3.29Å; H190-H196 PolarHBondContact NE2-NE2 3.2Å; H196-M204 CarbonylContact C-O 3.48Å; H196-M204 WeakPolarHBondContact CA-O 3.13Å |
| 197 | S | 90.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | P | Polyproline II helix | trans | -95.8 | 145.2 | 172.4 | -172.2 | 0 | 0 | 0 | 0 | 112.9 | M7 R40 R199 A202 M204 N205 P206 D221 | M7-S197 VanDerWaalsContact CE-O 3.27Å; M7-S197 WeakPolarHBondContact CE-O 3.41Å; R40-S197 VanDerWaalsContact CZ-CB 3.4Å; R40-S197 PolarHBondContact NH1-OG 3.47Å; R40-S197 VanDerWaalsContact NH1-OG 3.14Å; R40-S197 PolarHBondContact NH2-OG 3.25Å; S197-R199 WeakPolarHBondContact OG-CB 3.44Å; S197-R199 PolarHBondContact OG-N 3.45Å; S197-A202 VanDerWaalsContact CB-CB 3.42Å; S197-A202 WeakPolarHBondContact OG-CB 2.96Å; S197-M204 PolarHBondContact N-O 3.31Å; S197-N205 PolarHBondContact O-ND2 2.9Å; S197-P206 WeakPolarHBondContact O-CD 3.32Å; S197-D221 PolarHBondContact OG-OD2 2.96Å |
| 198 | K | 87.6 | Confident | 92.1 | Very high | 25 Ų | 25 | 18.6 Ų | 18.6 | 11% | 0.109 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -82.1 | -18.9 | 164.5 | -71.3 | 171.8 | 174.5 | 173.9 | 0 | 113.1 | E6 M7 Q200 V244 E245 | E6-K198 IonicContact OE2-NZ 2.73Å; M7-K198 HydrophobicContact CE-CG 4.45Å; M7-K198 HydrophobicContact SD-CB 4.41Å; M7-K198 HydrophobicContact SD-CD 4.4Å; M7-K198 HydrophobicContact SD-CG 3.35Å; M7-K198 WeakPolarHBondContact SD-CG 3.34Å; K198-Q200 PolarHBondContact O-N 3.4Å; K198-V244 HydrophobicContact CB-CG1 3.89Å; K198-E245 IonicContact NZ-OE2 2.93Å; K198-E245 PolarHBondContact NZ-OE2 2.69Å |
| 199 | R | 88.6 | Confident | 91.6 | Very high | 71 Ų | 71 | 21.1 Ų | 21.1 | 27% | 0.268 | 10% | 0.1 | S | C | . | . | trans | -70.1 | 126.5 | 175.6 | -67.8 | -174.9 | 65.7 | 116.8 | -1.6 | 108 | S197 E201 A202 N205 D219 V244 | S197-R199 WeakPolarHBondContact OG-CB 3.44Å; S197-R199 PolarHBondContact OG-N 3.45Å; R199-E201 PolarHBondContact O-N 2.84Å; R199-A202 HydrophobicContact CB-CB 3.96Å; R199-A202 PolarHBondContact O-N 3.18Å; R199-N205 WeakPolarHBondContact O-CB 3.33Å; R199-N205 PolarHBondContact O-ND2 2.82Å; R199-D219 VanDerWaalsContact CD-OD1 3.24Å; R199-D219 WeakPolarHBondContact CD-OD1 3.49Å; R199-D219 IonicContact CZ-OD1 3.25Å; R199-D219 IonicContact CZ-OD2 2.99Å; R199-D219 VanDerWaalsContact CZ-OD2 3.28Å; R199-D219 VanDerWaalsContact NE-CG 3.27Å; R199-D219 IonicContact NE-OD1 2.64Å; R199-D219 PolarHBondContact NE-OD1 3.38Å; R199-D219 IonicContact NE-OD2 2.9Å; R199-D219 PolarHBondContact NE-OD2 2.97Å; R199-D219 IonicContact NH2-OD2 2.61Å; R199-D219 PolarHBondContact NH2-OD2 3.15Å; R199-D219 VanDerWaalsContact NH2-OD2 3.1Å; R199-V244 VanDerWaalsContact CD-CG2 3.49Å; R199-V244 HydrophobicContact CG-CB 4.44Å; R199-V244 HydrophobicContact CG-CG1 4.03Å; R199-V244 HydrophobicContact CG-CG2 3.55Å | ||
| 200 | Q | 89.2 | Confident | 91.1 | Very high | 83 Ų | 83 | 24 Ų | 24 | 39% | 0.388 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -65.3 | -29 | 176.4 | -72.3 | -179.3 | -32 | 0 | 0 | 111.3 | A8 G9 K198 K209 | A8-Q200 PolarHBondContact O-NE2 3.47Å; G9-Q200 PolarHBondContact O-NE2 3.09Å; G9-Q200 VanDerWaalsContact O-NE2 3.15Å; K198-Q200 PolarHBondContact O-N 3.4Å; Q200-K209 WeakPolarHBondContact O-CE 3.01Å; Q200-K209 PolarHBondContact O-NZ 3.37Å |
| 201 | E | 89.2 | Confident | 90.8 | Very high | 129 Ų | 129 | 26 Ų | 26 | 60% | 0.603 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -77.8 | -24.4 | -179.8 | -61.7 | -45 | 134.1 | 0 | 0 | 114.8 | R199 K209 | R199-E201 PolarHBondContact O-N 2.84Å; E201-K209 VanDerWaalsContact CA-NZ 3.3Å; E201-K209 PolarHBondContact O-NZ 2.72Å; E201-K209 VanDerWaalsContact O-NZ 3.17Å; E201-K209 IonicContact OE2-NZ 2.81Å; E201-K209 PolarHBondContact OE2-NZ 2.57Å |
| 202 | A | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -60.6 | 141.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S197 R199 M204 N205 D219 D222 | S197-A202 VanDerWaalsContact CB-CB 3.42Å; S197-A202 WeakPolarHBondContact OG-CB 2.96Å; R199-A202 HydrophobicContact CB-CB 3.96Å; R199-A202 PolarHBondContact O-N 3.18Å; A202-M204 PolarHBondContact O-N 3.17Å; A202-N205 WeakPolarHBondContact O-CB 3.37Å; A202-N205 PolarHBondContact O-N 3.11Å; A202-N205 VanDerWaalsContact O-N 3.11Å; A202-D219 HydrophobicContact CB-CB 3.88Å; A202-D222 WeakPolarHBondContact CA-OD2 3.22Å; A202-D222 WeakPolarHBondContact CB-OD1 3.4Å |
| 203 | V | 95.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -37.4 | 169.8 | 161.6 | 0 | 0 | 0 | 0 | 109.7 | W86 V185 H186 N205 V216 L218 D222 | W86-V203 HydrophobicContact CZ2-CG1 4.15Å; V185-V203 HydrophobicContact CG1-CG1 3.82Å; V185-V203 HydrophobicContact CG1-CG2 4.44Å; H186-V203 HydrophobicContact CB-CG1 4.34Å; H186-V203 PolarHBondContact ND1-O 3.46Å; V203-N205 PolarHBondContact O-N 3.2Å; V203-N205 VanDerWaalsContact O-N 3.14Å; V203-V216 HydrophobicContact CG2-CG1 3.77Å; V203-L218 HydrophobicContact CB-CD2 4.24Å; V203-L218 HydrophobicContact CG2-CD2 3.95Å; V203-D222 PolarHBondContact N-OD2 3.15Å |
| 204 | M | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 6.9 | 178.7 | -62.1 | -52.4 | -58.4 | 0 | 0 | 113.9 | W86 H190 L194 H196 S197 A202 D222 | W86-M204 HydrophobicContact CH2-CG 4.35Å; W86-M204 HydrophobicContact CH2-SD 4.18Å; W86-M204 HydrophobicContact CZ2-SD 4.15Å; H190-M204 WeakPolarHBondContact CE1-CE 3.19Å; H190-M204 WeakPolarHBondContact ND1-CE 3.46Å; L194-M204 HydrophobicContact CB-CE 4.1Å; L194-M204 HydrophobicContact CB-CG 4.29Å; L194-M204 HydrophobicContact CB-SD 4.35Å; L194-M204 HydrophobicContact CD1-CG 4.28Å; H196-M204 CarbonylContact C-O 3.48Å; H196-M204 WeakPolarHBondContact CA-O 3.13Å; S197-M204 PolarHBondContact N-O 3.31Å; A202-M204 PolarHBondContact O-N 3.17Å; M204-D222 VanDerWaalsContact CB-OD1 3.25Å; M204-D222 WeakPolarHBondContact CB-OD1 3.12Å; M204-D222 WeakPolarHBondContact CG-OD1 3.36Å; M204-D222 PolarHBondContact N-OD1 3.44Å |
| 205 | N | 92.2 | Very high | 90.6 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -61.2 | 134.8 | 169.2 | -170.7 | -89.4 | 0 | 0 | 0 | 109.9 | M7 H186 S197 R199 A202 V203 I207 | M7-N205 PolarHBondContact O-ND2 3.1Å; M7-N205 VanDerWaalsContact O-ND2 3.15Å; H186-N205 PolarHBondContact CE1-O 2.62Å; H186-N205 PolarHBondContact ND1-O 2.94Å; S197-N205 PolarHBondContact O-ND2 2.9Å; R199-N205 WeakPolarHBondContact O-CB 3.33Å; R199-N205 PolarHBondContact O-ND2 2.82Å; A202-N205 WeakPolarHBondContact O-CB 3.37Å; A202-N205 PolarHBondContact O-N 3.11Å; A202-N205 VanDerWaalsContact O-N 3.11Å; V203-N205 PolarHBondContact O-N 3.2Å; V203-N205 VanDerWaalsContact O-N 3.14Å; N205-I207 PolarHBondContact O-N 3.2Å; N205-I207 VanDerWaalsContact O-N 3.15Å; N205-I207 WeakPolarHBondContact OD1-CB 3.44Å; N205-I207 PolarHBondContact OD1-N 3.19Å | ||
| 206 | P | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -64.8 | -21.2 | -175.2 | 22.4 | -32.8 | 0 | 0 | 0 | 113.9 | M7 R28 C29 D33 S197 | M7-P206 HydrophobicContact CB-CG 4.07Å; M7-P206 HydrophobicContact CE-CG 3.83Å; R28-P206 CarbonylContact C-O 3.46Å; R28-P206 WeakPolarHBondContact CA-O 3.21Å; R28-P206 WeakPolarHBondContact CB-O 3.4Å; C29-P206 PolarHBondContact N-O 3.34Å; D33-P206 WeakPolarHBondContact OD1-CB 3.12Å; S197-P206 WeakPolarHBondContact O-CD 3.32Å |
| 207 | I | 88.9 | Confident | 90.8 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -90.6 | 117.7 | -179.7 | -58.6 | -178.8 | 0 | 0 | 0 | 108.7 | A8 K23 Q26 N205 | A8-I207 HydrophobicContact CB-CD1 3.71Å; K23-I207 HydrophobicContact CD-CD1 3.94Å; Q26-I207 HydrophobicContact CB-CG2 3.84Å; N205-I207 PolarHBondContact O-N 3.2Å; N205-I207 VanDerWaalsContact O-N 3.15Å; N205-I207 WeakPolarHBondContact OD1-CB 3.44Å; N205-I207 PolarHBondContact OD1-N 3.19Å |
| 208 | Y | 88 | Confident | 91 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 9% | 0.09 | 24% | 0.235 | C | C | . | . | trans | -69.1 | 143.5 | -177.5 | -60.9 | -56 | 0 | 0 | 0 | 112.3 | R27 R28 C29 L141 V183 H186 E187 | R27-Y208 HydrophobicContact CB-CD2 4.05Å; R27-Y208 PolarHBondContact O-N 2.87Å; R28-Y208 WeakPolarHBondContact O-CE2 3.28Å; C29-Y208 WeakPolarHBondContact CA-OH 3.46Å; C29-Y208 HydrophobicContact CB-CE1 4.19Å; C29-Y208 WeakPolarHBondContact CB-OH 3.44Å; L141-Y208 HydrophobicContact CB-CE2 3.89Å; L141-Y208 HydrophobicContact CD1-CD2 3.58Å; L141-Y208 HydrophobicContact CD1-CE2 3.78Å; L141-Y208 HydrophobicContact CG-CD2 4.19Å; L141-Y208 HydrophobicContact CG-CE2 3.99Å; V183-Y208 HydrophobicContact CB-CD1 4.45Å; V183-Y208 HydrophobicContact CB-CE1 4.27Å; V183-Y208 HydrophobicContact CG1-CD1 4.46Å; V183-Y208 HydrophobicContact CG1-CE1 3.83Å; V183-Y208 HydrophobicContact CG1-CE2 4.08Å; V183-Y208 HydrophobicContact CG2-CD1 3.98Å; V183-Y208 HydrophobicContact CG2-CD2 3.98Å; V183-Y208 HydrophobicContact CG2-CE1 4.18Å; V183-Y208 HydrophobicContact CG2-CE2 4.15Å; V183-Y208 HydrophobicContact CG2-CG 3.87Å; H186-Y208 HydrophobicContact CB-CD1 4.37Å; H186-Y208 HydrophobicContact CB-CE1 4.01Å; H186-Y208 AromaticContact CD2-CE1 3.82Å; H186-Y208 AromaticContact CG-CE1 3.8Å; E187-Y208 PolarHBondContact OE1-OH 2.86Å | ||
| 209 | K | 87.7 | Confident | 91.3 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 23% | 0.226 | 23% | 0.234 | C | C | . | . | trans | -104.7 | 163.8 | 173 | -50.7 | -178.3 | -168.9 | 176 | 0 | 110.2 | Y182 Q200 E201 | Y182-K209 WeakPolarHBondContact CB-O 3.4Å; Y182-K209 HydrophobicContact CD1-CB 4.2Å; Y182-K209 WeakPolarHBondContact CD1-O 3.39Å; Y182-K209 HydrophobicContact CD2-CB 4.37Å; Y182-K209 HydrophobicContact CE1-CB 3.76Å; Y182-K209 HydrophobicContact CE1-CG 4.01Å; Y182-K209 VanDerWaalsContact CE1-N 3.27Å; Y182-K209 HydrophobicContact CE2-CB 3.96Å; Y182-K209 HydrophobicContact CE2-CD 4.33Å; Y182-K209 HydrophobicContact CE2-CG 4.43Å; Y182-K209 HydrophobicContact CG-CB 4.49Å; Y182-K209 VanDerWaalsContact CG-O 3.28Å; Y182-K209 WeakPolarHBondContact OH-CD 3.43Å; Q200-K209 WeakPolarHBondContact O-CE 3.01Å; Q200-K209 PolarHBondContact O-NZ 3.37Å; E201-K209 VanDerWaalsContact CA-NZ 3.3Å; E201-K209 PolarHBondContact O-NZ 2.72Å; E201-K209 VanDerWaalsContact O-NZ 3.17Å; E201-K209 IonicContact OE2-NZ 2.81Å; E201-K209 PolarHBondContact OE2-NZ 2.57Å | ||
| 210 | S | 85.3 | Confident | 91.4 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 42% | 0.42 | 24% | 0.236 | S | C | . | . | trans | -103.5 | 35.2 | 170.1 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | P171 | P171-S210 WeakPolarHBondContact CB-O 3.13Š| ||
| 211 | T | 90.2 | Very high | 91.5 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 26% | 0.258 | 22% | 0.218 | S | C | . | . | trans | -69.8 | 125 | -179.6 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | Y179 L213 T215 V216 | Y179-T211 WeakPolarHBondContact CE1-O 3.37Å; T211-L213 PolarHBondContact O-N 3.24Å; T211-T215 VanDerWaalsContact CG2-OG1 3.28Å; T211-T215 WeakPolarHBondContact CG2-OG1 3.4Å; T211-V216 HydrophobicContact CG2-CG2 3.94Å | ||
| 212 | P | 92.7 | Very high | 91.7 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | trans | -52.8 | 137.5 | 175.8 | -24.9 | 32.3 | 0 | 0 | 0 | 112.3 | P171 S214 T215 V216 | P171-P212 HydrophobicContact CB-CB 4.46Å; P171-P212 HydrophobicContact CB-CG 4.09Å; P171-P212 HydrophobicContact CG-CB 3.81Å; P171-P212 HydrophobicContact CG-CG 3.68Å; P212-S214 PolarHBondContact O-N 3.32Å; P212-T215 PolarHBondContact O-N 3.07Å; P212-T215 PolarHBondContact O-OG1 3.19Å; P212-T215 VanDerWaalsContact O-OG1 3.06Å; P212-V216 PolarHBondContact O-N 3.37Å | ||
| 213 | L | 93.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -54.6 | -31.9 | -177.3 | -163.3 | 67.4 | 0 | 0 | 0 | 113.4 | I85 Y179 P181 V185 T211 T215 V216 | I85-L213 HydrophobicContact CD1-CD1 3.29Å; I85-L213 HydrophobicContact CD1-CG 3.77Å; Y179-L213 PolarHBondContact OH-N 3.31Å; Y179-L213 VanDerWaalsContact OH-N 3.15Å; P181-L213 HydrophobicContact CB-CB 4.24Å; P181-L213 HydrophobicContact CB-CD1 4.04Å; P181-L213 HydrophobicContact CB-CD2 4.25Å; P181-L213 HydrophobicContact CB-CG 4.43Å; V185-L213 HydrophobicContact CG2-CD1 3.46Å; V185-L213 VanDerWaalsContact CG2-CD1 3.46Å; T211-L213 PolarHBondContact O-N 3.24Å; L213-T215 PolarHBondContact O-N 2.91Å; L213-V216 PolarHBondContact O-N 3.12Å |
| 214 | S | 92.3 | Very high | 91.6 | Very high | 114 Ų | 114 | 33.2 Ų | 33.2 | 80% | 0.797 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -68.1 | -16.8 | 178 | 55 | 0 | 0 | 0 | 0 | 114.8 | P212 | P212-S214 PolarHBondContact O-N 3.32Š|
| 215 | T | 93 | Very high | 91.4 | Very high | 82 Ų | 82 | 33.2 Ų | 33.2 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -114.8 | -0.6 | -179.2 | 64 | 0 | 0 | 0 | 0 | 113 | T211 P212 L213 T217 | T211-T215 VanDerWaalsContact CG2-OG1 3.28Å; T211-T215 WeakPolarHBondContact CG2-OG1 3.4Å; P212-T215 PolarHBondContact O-N 3.07Å; P212-T215 PolarHBondContact O-OG1 3.19Å; P212-T215 VanDerWaalsContact O-OG1 3.06Å; L213-T215 PolarHBondContact O-N 2.91Å; T215-T217 PolarHBondContact O-N 3.11Å |
| 216 | V | 93.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | trans | -67.5 | 124.5 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | I85 Y182 V185 V203 T211 P212 L213 | I85-V216 HydrophobicContact CD1-CB 3.98Å; I85-V216 HydrophobicContact CD1-CG1 4.09Å; I85-V216 HydrophobicContact CG2-CG1 4.17Å; Y182-V216 HydrophobicContact CD2-CG2 3.8Å; Y182-V216 HydrophobicContact CE2-CG2 4.13Å; V185-V216 HydrophobicContact CG1-CG1 4.26Å; V203-V216 HydrophobicContact CG2-CG1 3.77Å; T211-V216 HydrophobicContact CG2-CG2 3.94Å; P212-V216 PolarHBondContact O-N 3.37Å; L213-V216 PolarHBondContact O-N 3.12Å | ||
| 217 | T | 91.8 | Very high | 91.5 | Very high | 112 Ų | 112 | 33 Ų | 33 | 69% | 0.687 | 19% | 0.194 | S | C | * | . | trans | -122.5 | 141.5 | 171.9 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | T215 | T215-T217 PolarHBondContact O-N 3.11Š| ||
| 218 | L | 94.4 | Very high | 91.6 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | trans | -74.5 | 130.6 | 173.8 | -59.8 | -176.2 | 0 | 0 | 0 | 109.7 | I85 W86 Q89 V203 D222 K223 | I85-L218 HydrophobicContact CG2-CD2 3.95Å; I85-L218 HydrophobicContact CG2-CG 4.15Å; W86-L218 HydrophobicContact CD2-CD1 4.11Å; W86-L218 HydrophobicContact CD2-CD2 4.22Å; W86-L218 HydrophobicContact CE3-CD1 3.5Å; W86-L218 HydrophobicContact CE3-CD2 4.13Å; W86-L218 HydrophobicContact CE3-CG 4.49Å; W86-L218 HydrophobicContact CH2-CD2 3.98Å; W86-L218 HydrophobicContact CZ2-CD2 4.07Å; W86-L218 HydrophobicContact CZ3-CD1 3.75Å; W86-L218 HydrophobicContact CZ3-CD2 4.01Å; Q89-L218 HydrophobicContact CB-CD1 3.83Å; V203-L218 HydrophobicContact CB-CD2 4.24Å; V203-L218 HydrophobicContact CG2-CD2 3.95Å; L218-D222 HydrophobicContact CB-CB 4.31Å; L218-K223 HydrophobicContact CB-CG 3.97Å; L218-K223 VanDerWaalsContact O-CE 3.27Å; L218-K223 WeakPolarHBondContact O-CE 3.36Å | ||
| 219 | D | 92.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | trans | -67.8 | 154 | 173.3 | -175.4 | -75.3 | 0 | 0 | 0 | 109.6 | R199 A202 D221 D222 K223 | R199-D219 VanDerWaalsContact CD-OD1 3.24Å; R199-D219 WeakPolarHBondContact CD-OD1 3.49Å; R199-D219 IonicContact CZ-OD1 3.25Å; R199-D219 IonicContact CZ-OD2 2.99Å; R199-D219 VanDerWaalsContact CZ-OD2 3.28Å; R199-D219 VanDerWaalsContact NE-CG 3.27Å; R199-D219 IonicContact NE-OD1 2.64Å; R199-D219 PolarHBondContact NE-OD1 3.38Å; R199-D219 IonicContact NE-OD2 2.9Å; R199-D219 PolarHBondContact NE-OD2 2.97Å; R199-D219 IonicContact NH2-OD2 2.61Å; R199-D219 PolarHBondContact NH2-OD2 3.15Å; R199-D219 VanDerWaalsContact NH2-OD2 3.1Å; A202-D219 HydrophobicContact CB-CB 3.88Å; D219-D221 PolarHBondContact O-N 3.09Å; D219-D221 VanDerWaalsContact O-N 3.09Å; D219-D221 WeakPolarHBondContact OD1-CB 3.39Å; D219-D221 PolarHBondContact OD1-N 3.42Å; D219-D222 PolarHBondContact N-OD2 2.6Å; D219-D222 WeakPolarHBondContact O-CB 3.21Å; D219-D222 PolarHBondContact O-N 3.27Å; D219-K223 PolarHBondContact O-N 3.38Å; D219-K223 VanDerWaalsContact O-N 3.08Å | ||
| 220 | I | 90.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 32.1 Ų | 32.1 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -53.4 | -32.4 | 177.5 | -174.3 | 58.4 | 0 | 0 | 0 | 112.1 | I92 C224 V240 | I92-I220 HydrophobicContact CD1-CD1 3.72Å; I92-I220 HydrophobicContact CG1-CD1 3.87Å; I92-I220 HydrophobicContact CG2-CD1 4.5Å; I220-C224 WeakPolarHBondContact O-CB 3.28Å; I220-C224 PolarHBondContact O-N 3.04Å; I220-V240 HydrophobicContact CG1-CG2 3.89Å; I220-V240 HydrophobicContact CG2-CG1 4.17Å; I220-V240 HydrophobicContact CG2-CG2 4.43Å |
| 221 | D | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.6 | -34.8 | 178.5 | -178.4 | 43.1 | 0 | 0 | 0 | 112.8 | R40 S197 D219 A225 V240 V244 | R40-D221 IonicContact CZ-OD1 3.72Å; R40-D221 VanDerWaalsContact CZ-OD1 3.25Å; R40-D221 IonicContact CZ-OD2 3.72Å; R40-D221 IonicContact NH1-OD1 3.88Å; R40-D221 PolarHBondContact NH1-OD1 3.31Å; R40-D221 IonicContact NH1-OD2 2.7Å; R40-D221 PolarHBondContact NH1-OD2 3.08Å; R40-D221 IonicContact NH2-OD1 3Å; R40-D221 PolarHBondContact NH2-OD1 3.04Å; R40-D221 IonicContact NH2-OD2 3.6Å; R40-D221 PolarHBondContact NH2-OD2 3.47Å; S197-D221 PolarHBondContact OG-OD2 2.96Å; D219-D221 PolarHBondContact O-N 3.09Å; D219-D221 VanDerWaalsContact O-N 3.09Å; D219-D221 WeakPolarHBondContact OD1-CB 3.39Å; D219-D221 PolarHBondContact OD1-N 3.42Å; D221-A225 VanDerWaalsContact O-CB 3.31Å; D221-A225 WeakPolarHBondContact O-CB 3.35Å; D221-A225 PolarHBondContact O-N 2.88Å; D221-V240 HydrophobicContact CB-CG1 3.88Å; D221-V244 HydrophobicContact CB-CG2 4.38Å |
| 222 | D | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -48 | 171.4 | -60.5 | -40 | 0 | 0 | 0 | 110.5 | R40 W86 A202 V203 M204 L218 D219 C224 A225 L226 | R40-D222 IonicContact NH2-OD1 3.2Å; W86-D222 HydrophobicContact CH2-CB 4.34Å; W86-D222 HydrophobicContact CZ3-CB 4.49Å; A202-D222 WeakPolarHBondContact CA-OD2 3.22Å; A202-D222 WeakPolarHBondContact CB-OD1 3.4Å; V203-D222 PolarHBondContact N-OD2 3.15Å; M204-D222 VanDerWaalsContact CB-OD1 3.25Å; M204-D222 WeakPolarHBondContact CB-OD1 3.12Å; M204-D222 WeakPolarHBondContact CG-OD1 3.36Å; M204-D222 PolarHBondContact N-OD1 3.44Å; L218-D222 HydrophobicContact CB-CB 4.31Å; D219-D222 PolarHBondContact N-OD2 2.6Å; D219-D222 WeakPolarHBondContact O-CB 3.21Å; D219-D222 PolarHBondContact O-N 3.27Å; D222-C224 VanDerWaalsContact C-N 3.33Å; D222-C224 PolarHBondContact O-N 3.43Å; D222-A225 WeakPolarHBondContact O-CB 3.23Å; D222-A225 PolarHBondContact O-N 2.84Å; D222-L226 PolarHBondContact O-N 3.04Å |
| 223 | K | 93.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 15% | 0.148 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 177.5 | -62 | 176.9 | -176.5 | 175.3 | 0 | 111.5 | I92 L218 D219 L226 N227 | I92-K223 HydrophobicContact CD1-CB 4.08Å; I92-K223 HydrophobicContact CG1-CB 4.41Å; L218-K223 HydrophobicContact CB-CG 3.97Å; L218-K223 VanDerWaalsContact O-CE 3.27Å; L218-K223 WeakPolarHBondContact O-CE 3.36Å; D219-K223 PolarHBondContact O-N 3.38Å; D219-K223 VanDerWaalsContact O-N 3.08Å; K223-L226 PolarHBondContact O-N 3.14Å; K223-N227 WeakPolarHBondContact O-CB 3.47Å; K223-N227 PolarHBondContact O-N 2.89Å |
| 224 | C | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 178.2 | -91.7 | 0 | 0 | 0 | 0 | 112.7 | I92 I220 D222 N227 W228 C237 V240 | I92-C224 VanDerWaalsContact CD1-SG 3.59Å; I220-C224 WeakPolarHBondContact O-CB 3.28Å; I220-C224 PolarHBondContact O-N 3.04Å; D222-C224 VanDerWaalsContact C-N 3.33Å; D222-C224 PolarHBondContact O-N 3.43Å; C224-N227 PolarHBondContact O-N 3.41Å; C224-W228 WeakPolarHBondContact O-CB 3.22Å; C224-W228 PolarHBondContact O-N 3.14Å; C224-C237 WeakPolarHBondContact CA-SG 3.35Å; C224-C237 HydrophobicContact CB-CB 3.47Å; C224-C237 VanDerWaalsContact CB-CB 3.47Å; C224-C237 WeakPolarHBondContact CB-SG 3.49Å; C224-C237 WeakPolarHBondContact SG-CA 3.31Å; C224-C237 WeakPolarHBondContact SG-CB 3.44Å; C224-C237 CovalentContact SG-SG 2.05Å; C224-C237 PolarHBondContact SG-SG 3.22Å; C224-V240 HydrophobicContact CB-CG1 4.44Å |
| 225 | A | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F41 L194 D221 D222 W228 N229 | F41-A225 HydrophobicContact CD1-CB 3.7Å; F41-A225 VanDerWaalsContact CE1-CA 3.48Å; F41-A225 HydrophobicContact CE1-CB 3.46Å; F41-A225 VanDerWaalsContact CE1-CB 3.46Å; F41-A225 HydrophobicContact CZ-CB 4.49Å; L194-A225 HydrophobicContact CD1-CB 4.41Å; L194-A225 HydrophobicContact CD2-CB 3.82Å; D221-A225 VanDerWaalsContact O-CB 3.31Å; D221-A225 WeakPolarHBondContact O-CB 3.35Å; D221-A225 PolarHBondContact O-N 2.88Å; D222-A225 WeakPolarHBondContact O-CB 3.23Å; D222-A225 PolarHBondContact O-N 2.84Å; A225-W228 PolarHBondContact O-N 3.14Å; A225-N229 WeakPolarHBondContact O-CB 3.46Å; A225-N229 PolarHBondContact O-N 2.83Å |
| 226 | L | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 177.4 | -178.9 | 69.1 | 0 | 0 | 0 | 111.6 | W86 L100 L192 L194 D222 K223 W228 N229 Y230 | W86-L226 HydrophobicContact CE3-CD2 4.2Å; L100-L226 HydrophobicContact CD1-CD1 4.33Å; L100-L226 HydrophobicContact CD1-CD2 3.79Å; L100-L226 HydrophobicContact CD2-CD1 4.48Å; L100-L226 HydrophobicContact CG-CD2 4.38Å; L192-L226 HydrophobicContact CB-CD1 4.08Å; L192-L226 HydrophobicContact CD1-CD1 4.07Å; L192-L226 HydrophobicContact CG-CD1 4.47Å; L194-L226 HydrophobicContact CD1-CB 4.27Å; L194-L226 HydrophobicContact CD2-CB 4.24Å; D222-L226 PolarHBondContact O-N 3.04Å; K223-L226 PolarHBondContact O-N 3.14Å; L226-W228 VanDerWaalsContact C-N 3.33Å; L226-W228 PolarHBondContact O-N 3.32Å; L226-N229 PolarHBondContact O-N 3.39Å; L226-Y230 HydrophobicContact CD1-CD2 3.66Å; L226-Y230 HydrophobicContact CD1-CE2 3.66Å; L226-Y230 HydrophobicContact CG-CD2 4.37Å; L226-Y230 WeakPolarHBondContact O-CD2 3.43Å; L226-Y230 PolarHBondContact O-N 2.57Å |
| 227 | N | 91.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | -177.2 | -156.4 | 68.7 | 0 | 0 | 0 | 112.3 | M95 R96 T97 A98 K223 C224 N229 Y230 I231 G232 | M95-N227 HydrophobicContact CE-CB 4.03Å; M95-N227 WeakPolarHBondContact CE-ND2 3.22Å; R96-N227 PolarHBondContact O-ND2 3.29Å; R96-N227 PolarHBondContact O-OD1 2.92Å; T97-N227 WeakPolarHBondContact CA-OD1 3.18Å; A98-N227 PolarHBondContact N-OD1 3.37Å; K223-N227 WeakPolarHBondContact O-CB 3.47Å; K223-N227 PolarHBondContact O-N 2.89Å; C224-N227 PolarHBondContact O-N 3.41Å; N227-N229 VanDerWaalsContact C-N 3.29Å; N227-N229 PolarHBondContact O-N 3.14Å; N227-Y230 PolarHBondContact O-N 3.07Å; N227-I231 WeakPolarHBondContact O-CA 3.33Å; N227-I231 VanDerWaalsContact O-CB 3.29Å; N227-I231 WeakPolarHBondContact O-CB 3.22Å; N227-I231 PolarHBondContact O-N 3.42Å; N227-I231 WeakPolarHBondContact OD1-CG1 3.28Å; N227-G232 PolarHBondContact O-N 3.37Å |
| 228 | W | 90.4 | Very high | 90.2 | Very high | 41 Ų | 41 | 26.6 Ų | 26.6 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 175.7 | -167.3 | -65 | 0 | 0 | 0 | 112.1 | F41 C224 A225 L226 G232 P233 C237 L238 | F41-W228 HydrophobicContact CB-CB 4.43Å; F41-W228 HydrophobicContact CB-CD2 4.34Å; F41-W228 HydrophobicContact CB-CG 3.94Å; F41-W228 HydrophobicContact CD2-CB 4.49Å; F41-W228 AromaticContact CD2-CD2 3.89Å; F41-W228 HydrophobicContact CD2-CD2 3.89Å; F41-W228 HydrophobicContact CD2-CE3 4.05Å; F41-W228 HydrophobicContact CD2-CG 4.12Å; F41-W228 HydrophobicContact CE2-CE3 4.27Å; F41-W228 HydrophobicContact CG-CB 4.46Å; F41-W228 HydrophobicContact CG-CD2 4.46Å; F41-W228 HydrophobicContact CG-CG 4.25Å; C224-W228 WeakPolarHBondContact O-CB 3.22Å; C224-W228 PolarHBondContact O-N 3.14Å; A225-W228 PolarHBondContact O-N 3.14Å; L226-W228 VanDerWaalsContact C-N 3.33Å; L226-W228 PolarHBondContact O-N 3.32Å; W228-G232 WeakPolarHBondContact CA-O 3.33Å; W228-G232 VanDerWaalsContact O-CA 3.3Å; W228-G232 WeakPolarHBondContact O-CA 3.33Å; W228-G232 PolarHBondContact O-N 3.36Å; W228-P233 HydrophobicContact CD2-CB 4.1Å; W228-P233 HydrophobicContact CE3-CB 4.16Å; W228-P233 HydrophobicContact CH2-CB 3.45Å; W228-P233 VanDerWaalsContact CH2-CB 3.45Å; W228-P233 HydrophobicContact CZ2-CB 3.41Å; W228-P233 VanDerWaalsContact CZ2-CB 3.41Å; W228-P233 HydrophobicContact CZ3-CB 3.82Å; W228-C237 HydrophobicContact CE3-CB 3.75Å; W228-C237 HydrophobicContact CZ3-CB 4.22Å; W228-L238 HydrophobicContact CH2-CB 3.88Å; W228-L238 HydrophobicContact CH2-CD1 3.98Å; W228-L238 HydrophobicContact CH2-CG 4.44Å; W228-L238 HydrophobicContact CZ3-CB 3.71Å |
| 229 | N | 89.7 | Confident | 89.8 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | -178.9 | -163.4 | 24.6 | 0 | 0 | 0 | 112.1 | S42 S45 L192 A225 L226 N227 | S42-N229 PolarHBondContact O-OD1 3.46Å; S45-N229 PolarHBondContact O-ND2 3.5Å; L192-N229 PolarHBondContact O-ND2 3.23Å; A225-N229 WeakPolarHBondContact O-CB 3.46Å; A225-N229 PolarHBondContact O-N 2.83Å; L226-N229 PolarHBondContact O-N 3.39Å; N227-N229 VanDerWaalsContact C-N 3.29Å; N227-N229 PolarHBondContact O-N 3.14Å |
| 230 | Y | 91.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 26.3 Ų | 26.3 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -101.5 | -35.2 | -169.5 | -76.5 | -65.4 | 0 | 0 | 0 | 115.2 | K46 W47 M51 L57 L192 L226 N227 | K46-Y230 HydrophobicContact CB-CD1 4.49Å; K46-Y230 HydrophobicContact CB-CE1 3.87Å; W47-Y230 HydrophobicContact CB-CE1 4.43Å; M51-Y230 VanDerWaalsContact CE-CB 3.48Å; M51-Y230 HydrophobicContact CE-CD1 3.41Å; M51-Y230 VanDerWaalsContact CE-CD1 3.41Å; M51-Y230 HydrophobicContact CE-CE1 4.43Å; M51-Y230 HydrophobicContact CE-CG 3.67Å; L57-Y230 HydrophobicContact CD1-CE1 4.23Å; L57-Y230 HydrophobicContact CD2-CD1 4.09Å; L57-Y230 HydrophobicContact CD2-CD2 4.41Å; L57-Y230 HydrophobicContact CD2-CE1 3.53Å; L57-Y230 HydrophobicContact CD2-CE2 3.92Å; L57-Y230 VanDerWaalsContact CD2-CZ 3.46Å; L57-Y230 HydrophobicContact CG-CE1 4.46Å; L192-Y230 WeakPolarHBondContact O-CE2 3.27Å; L192-Y230 PolarHBondContact O-OH 3.32Å; L226-Y230 HydrophobicContact CD1-CD2 3.66Å; L226-Y230 HydrophobicContact CD1-CE2 3.66Å; L226-Y230 HydrophobicContact CG-CD2 4.37Å; L226-Y230 WeakPolarHBondContact O-CD2 3.43Å; L226-Y230 PolarHBondContact O-N 2.57Å; N227-Y230 PolarHBondContact O-N 3.07Å |
| 231 | I | 91 | Very high | 89.2 | Confident | 44 Ų | 44 | 25.3 Ų | 25.3 | 23% | 0.226 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -43 | 179.1 | -53.7 | -54.7 | 0 | 0 | 0 | 111 | D55 R96 A98 N227 | D55-I231 HydrophobicContact CB-CD1 3.64Å; D55-I231 WeakPolarHBondContact OD1-CD1 3.39Å; R96-I231 HydrophobicContact CB-CG2 4.02Å; R96-I231 HydrophobicContact CG-CG2 3.94Å; A98-I231 HydrophobicContact CB-CD1 3.91Å; A98-I231 HydrophobicContact CB-CG1 3.93Å; N227-I231 WeakPolarHBondContact O-CA 3.33Å; N227-I231 VanDerWaalsContact O-CB 3.29Å; N227-I231 WeakPolarHBondContact O-CB 3.22Å; N227-I231 PolarHBondContact O-N 3.42Å; N227-I231 WeakPolarHBondContact OD1-CG1 3.28Å |
| 232 | G | 87.5 | Confident | 88.7 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 18% | 0.175 | 14% | 0.139 | C | C | . | . | trans | 122.9 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N227 W228 | N227-G232 PolarHBondContact O-N 3.37Å; W228-G232 WeakPolarHBondContact CA-O 3.33Å; W228-G232 VanDerWaalsContact O-CA 3.3Å; W228-G232 WeakPolarHBondContact O-CA 3.33Å; W228-G232 PolarHBondContact O-N 3.36Å | ||
| 233 | P | 85.5 | Confident | 88.2 | Confident | 90 Ų | 90 | 26.8 Ų | 26.8 | 58% | 0.584 | 14% | 0.144 | S | C | * | . | trans | -62.3 | 141.9 | -174.7 | 27.4 | -36 | 0 | 0 | 0 | 112.6 | W228 | W228-P233 HydrophobicContact CD2-CB 4.1Å; W228-P233 HydrophobicContact CE3-CB 4.16Å; W228-P233 HydrophobicContact CH2-CB 3.45Å; W228-P233 VanDerWaalsContact CH2-CB 3.45Å; W228-P233 HydrophobicContact CZ2-CB 3.41Å; W228-P233 VanDerWaalsContact CZ2-CB 3.41Å; W228-P233 HydrophobicContact CZ3-CB 3.82Å | ||
| 234 | S | 86 | Confident | 87.6 | Confident | 25 Ų | 25 | 25.5 Ų | 25.5 | 18% | 0.175 | 14% | 0.139 | C | C | . | . | trans | -131.3 | 154.6 | 166.9 | 78.6 | 0 | 0 | 0 | 0 | 110.2 | M95 I236 C237 L238 | M95-S234 WeakPolarHBondContact CE-OG 3.43Å; M95-S234 PolarHBondContact SD-OG 3.47Å; S234-I236 VanDerWaalsContact C-N 3.29Å; S234-I236 PolarHBondContact O-N 3.25Å; S234-C237 PolarHBondContact O-N 2.88Å; S234-C237 WeakPolarHBondContact OG-CB 3.33Å; S234-C237 PolarHBondContact OG-N 3.32Å; S234-C237 VanDerWaalsContact OG-N 3.1Å; S234-C237 PolarHBondContact OG-SG 3.38Å; S234-C237 VanDerWaalsContact OG-SG 3.42Å; S234-L238 WeakPolarHBondContact O-CB 3.48Å; S234-L238 PolarHBondContact O-N 3.35Å | ||
| 235 | N | 86.4 | Confident | 86.9 | Confident | 108 Ų | 108 | 27 Ų | 27 | 58% | 0.578 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -60.6 | -40.8 | 178.7 | -69.9 | -11.3 | 0 | 0 | 0 | 111.5 | L238 F239 | N235-L238 PolarHBondContact O-N 2.83Å; N235-F239 WeakPolarHBondContact O-CB 3.18Å; N235-F239 PolarHBondContact O-N 2.78Å |
| 236 | I | 86.7 | Confident | 85.9 | Confident | 27 Ų | 27 | 28.5 Ų | 28.5 | 14% | 0.138 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 177.1 | -61.8 | 173 | 0 | 0 | 0 | 110.1 | I92 M95 S234 L238 F239 V240 M294 | I92-I236 HydrophobicContact CG2-CD1 4.3Å; I92-I236 HydrophobicContact CG2-CG2 4.25Å; M95-I236 HydrophobicContact SD-CB 4.42Å; M95-I236 HydrophobicContact SD-CD1 4.42Å; S234-I236 VanDerWaalsContact C-N 3.29Å; S234-I236 PolarHBondContact O-N 3.25Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.84Å; I236-F239 WeakPolarHBondContact O-CB 3.33Å; I236-F239 PolarHBondContact O-N 3Å; I236-V240 WeakPolarHBondContact O-CG2 3.39Å; I236-V240 PolarHBondContact O-N 3.24Å; I236-M294 HydrophobicContact CB-CE 4.19Å; I236-M294 HydrophobicContact CG1-CE 3.84Å; I236-M294 HydrophobicContact CG1-SD 4.16Å; I236-M294 HydrophobicContact CG2-CE 4.12Å; I236-M294 HydrophobicContact CG2-SD 4.32Å |
| 237 | C | 88.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.6 | -26.7 | -177.8 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | C224 W228 S234 F239 W241 | C224-C237 WeakPolarHBondContact CA-SG 3.35Å; C224-C237 HydrophobicContact CB-CB 3.47Å; C224-C237 VanDerWaalsContact CB-CB 3.47Å; C224-C237 WeakPolarHBondContact CB-SG 3.49Å; C224-C237 WeakPolarHBondContact SG-CA 3.31Å; C224-C237 WeakPolarHBondContact SG-CB 3.44Å; C224-C237 CovalentContact SG-SG 2.05Å; C224-C237 PolarHBondContact SG-SG 3.22Å; W228-C237 HydrophobicContact CE3-CB 3.75Å; W228-C237 HydrophobicContact CZ3-CB 4.22Å; S234-C237 PolarHBondContact O-N 2.88Å; S234-C237 WeakPolarHBondContact OG-CB 3.33Å; S234-C237 PolarHBondContact OG-N 3.32Å; S234-C237 VanDerWaalsContact OG-N 3.1Å; S234-C237 PolarHBondContact OG-SG 3.38Å; S234-C237 VanDerWaalsContact OG-SG 3.42Å; C237-F239 VanDerWaalsContact C-N 3.33Å; C237-W241 WeakPolarHBondContact O-CB 3.19Å; C237-W241 PolarHBondContact O-N 2.79Å |
| 238 | L | 85.9 | Confident | 83.1 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 171.3 | 177.4 | 57.9 | 0 | 0 | 0 | 109.5 | W228 S234 N235 I236 W241 L242 I305 | W228-L238 HydrophobicContact CH2-CB 3.88Å; W228-L238 HydrophobicContact CH2-CD1 3.98Å; W228-L238 HydrophobicContact CH2-CG 4.44Å; W228-L238 HydrophobicContact CZ3-CB 3.71Å; S234-L238 WeakPolarHBondContact O-CB 3.48Å; S234-L238 PolarHBondContact O-N 3.35Å; N235-L238 PolarHBondContact O-N 2.83Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.84Å; L238-W241 HydrophobicContact CD1-CE3 4.2Å; L238-W241 WeakPolarHBondContact O-CB 3.34Å; L238-W241 PolarHBondContact O-N 2.89Å; L238-L242 HydrophobicContact CD1-CD1 4.15Å; L238-L242 HydrophobicContact CD1-CG 4.29Å; L238-L242 HydrophobicContact CG-CD1 4.04Å; L238-L242 WeakPolarHBondContact O-CD1 3.05Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 2.83Å; L238-I305 HydrophobicContact CD2-CD1 4.18Å; L238-I305 HydrophobicContact CG-CD1 4.46Å |
| 239 | F | 85.8 | Confident | 81.3 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 4% | 0.044 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -51.1 | 175.4 | 175.3 | -111.9 | 0 | 0 | 0 | 111.8 | N235 I236 C237 W241 L242 M243 F280 L286 L289 M294 L301 | N235-F239 WeakPolarHBondContact O-CB 3.18Å; N235-F239 PolarHBondContact O-N 2.78Å; I236-F239 WeakPolarHBondContact O-CB 3.33Å; I236-F239 PolarHBondContact O-N 3Å; C237-F239 VanDerWaalsContact C-N 3.33Å; F239-W241 VanDerWaalsContact C-N 3.28Å; F239-W241 PolarHBondContact O-N 2.91Å; F239-L242 PolarHBondContact O-N 2.84Å; F239-L242 VanDerWaalsContact O-N 3.07Å; F239-M243 HydrophobicContact CD1-CG 4.34Å; F239-M243 HydrophobicContact CD2-CG 3.96Å; F239-M243 HydrophobicContact CD2-SD 4.4Å; F239-M243 HydrophobicContact CE1-CG 3.93Å; F239-M243 HydrophobicContact CE2-CE 4.22Å; F239-M243 HydrophobicContact CE2-CG 3.53Å; F239-M243 HydrophobicContact CE2-SD 3.58Å; F239-M243 VanDerWaalsContact CE2-SD 3.58Å; F239-M243 HydrophobicContact CG-CG 4.36Å; F239-M243 HydrophobicContact CZ-CE 3.83Å; F239-M243 HydrophobicContact CZ-CG 3.51Å; F239-M243 HydrophobicContact CZ-SD 3.77Å; F239-M243 VanDerWaalsContact O-CG 3.28Å; F239-M243 WeakPolarHBondContact O-CG 3.35Å; F239-M243 PolarHBondContact O-N 2.93Å; F239-F280 AromaticContact CE2-CE1 3.94Å; F239-F280 HydrophobicContact CE2-CE1 3.94Å; F239-F280 HydrophobicContact CE2-CZ 4.24Å; F239-F280 HydrophobicContact CZ-CD1 4.07Å; F239-F280 AromaticContact CZ-CE1 3.49Å; F239-F280 HydrophobicContact CZ-CE1 3.49Å; F239-F280 VanDerWaalsContact CZ-CE1 3.49Å; F239-F280 HydrophobicContact CZ-CZ 4.22Å; F239-L286 HydrophobicContact CE1-CD2 4.24Å; F239-L289 HydrophobicContact CE1-CD1 4.41Å; F239-M294 HydrophobicContact CD1-CE 3.99Å; F239-L301 HydrophobicContact CB-CD2 3.97Å; F239-L301 HydrophobicContact CD2-CD1 3.1Å; F239-L301 HydrophobicContact CD2-CD2 4.02Å; F239-L301 HydrophobicContact CD2-CG 3.92Å; F239-L301 HydrophobicContact CE2-CD1 3.25Å; F239-L301 HydrophobicContact CE2-CG 4.48Å; F239-L301 HydrophobicContact CG-CD1 3.94Å; F239-L301 HydrophobicContact CG-CD2 4.05Å; F239-L301 HydrophobicContact CG-CG 4.46Å; F239-L301 HydrophobicContact CZ-CD1 4.2Å |
| 240 | V | 86.9 | Confident | 79.1 | Confident | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54 | -47.1 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I220 D221 C224 I236 L242 M243 V244 | I220-V240 HydrophobicContact CG1-CG2 3.89Å; I220-V240 HydrophobicContact CG2-CG1 4.17Å; I220-V240 HydrophobicContact CG2-CG2 4.43Å; D221-V240 HydrophobicContact CB-CG1 3.88Å; C224-V240 HydrophobicContact CB-CG1 4.44Å; I236-V240 WeakPolarHBondContact O-CG2 3.39Å; I236-V240 PolarHBondContact O-N 3.24Å; V240-L242 PolarHBondContact O-N 2.79Å; V240-M243 PolarHBondContact O-N 2.89Å; V240-V244 WeakPolarHBondContact O-CG2 3.46Å; V240-V244 PolarHBondContact O-N 3.15Å |
| 241 | W | 84.5 | Confident | 76.9 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.4 | -50.2 | 175.2 | -169.6 | 60.5 | 0 | 0 | 0 | 113.2 | F41 C237 L238 F239 M243 V244 E245 | F41-W241 HydrophobicContact CD2-CB 4.02Å; F41-W241 AromaticContact CD2-CD1 3.47Å; F41-W241 VanDerWaalsContact CD2-CD1 3.47Å; F41-W241 AromaticContact CD2-CG 3.75Å; F41-W241 HydrophobicContact CD2-CG 3.75Å; F41-W241 HydrophobicContact CE2-CB 3.3Å; F41-W241 AromaticContact CE2-CD1 3.31Å; F41-W241 AromaticContact CE2-CG 3.45Å; F41-W241 HydrophobicContact CE2-CG 3.45Å; F41-W241 VanDerWaalsContact CE2-CG 3.45Å; F41-W241 HydrophobicContact CZ-CB 3.85Å; F41-W241 AromaticContact CZ-CD1 3.54Å; F41-W241 HydrophobicContact CZ-CG 4Å; C237-W241 WeakPolarHBondContact O-CB 3.19Å; C237-W241 PolarHBondContact O-N 2.79Å; L238-W241 HydrophobicContact CD1-CE3 4.2Å; L238-W241 WeakPolarHBondContact O-CB 3.34Å; L238-W241 PolarHBondContact O-N 2.89Å; F239-W241 VanDerWaalsContact C-N 3.28Å; F239-W241 PolarHBondContact O-N 2.91Å; W241-M243 VanDerWaalsContact C-N 3.3Å; W241-M243 PolarHBondContact O-N 2.92Å; W241-V244 PolarHBondContact O-N 3.01Å; W241-E245 HydrophobicContact CD2-CG 4.15Å; W241-E245 HydrophobicContact CG-CG 4.3Å; W241-E245 HydrophobicContact CZ2-CB 4.5Å; W241-E245 HydrophobicContact CZ2-CG 3.96Å; W241-E245 VanDerWaalsContact O-CB 3.31Å; W241-E245 WeakPolarHBondContact O-CB 3.28Å; W241-E245 WeakPolarHBondContact O-CG 3.33Å; W241-E245 PolarHBondContact O-N 3.23Å |
| 242 | L | 82.2 | Confident | 74.7 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | -176.9 | -71.3 | 167.1 | 0 | 0 | 0 | 110.6 | L238 F239 V240 V244 E245 L246 I305 | L238-L242 HydrophobicContact CD1-CD1 4.15Å; L238-L242 HydrophobicContact CD1-CG 4.29Å; L238-L242 HydrophobicContact CG-CD1 4.04Å; L238-L242 WeakPolarHBondContact O-CD1 3.05Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 2.83Å; F239-L242 PolarHBondContact O-N 2.84Å; F239-L242 VanDerWaalsContact O-N 3.07Å; V240-L242 PolarHBondContact O-N 2.79Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.33Å; L242-E245 PolarHBondContact O-N 2.98Å; L242-L246 HydrophobicContact CB-CD1 4.13Å; L242-L246 HydrophobicContact CD2-CD1 3.42Å; L242-L246 VanDerWaalsContact CD2-CD1 3.42Å; L242-L246 HydrophobicContact CD2-CG 4.2Å; L242-L246 HydrophobicContact CG-CD1 4.36Å; L242-L246 WeakPolarHBondContact O-CA 3.18Å; L242-L246 WeakPolarHBondContact O-CB 3.38Å; L242-L246 WeakPolarHBondContact O-CG 3.44Å; L242-L246 PolarHBondContact O-N 2.87Å; L242-I305 HydrophobicContact CD1-CB 4.24Å; L242-I305 HydrophobicContact CD1-CD1 4.08Å; L242-I305 HydrophobicContact CD1-CG1 3.5Å; L242-I305 VanDerWaalsContact CD1-CG1 3.5Å; L242-I305 HydrophobicContact CD1-CG2 4.07Å |
| 243 | M | 82.1 | Confident | 72.5 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 177.6 | -64.8 | -60.7 | -86.8 | 0 | 0 | 111.6 | F239 V240 W241 L247 F280 | F239-M243 HydrophobicContact CD1-CG 4.34Å; F239-M243 HydrophobicContact CD2-CG 3.96Å; F239-M243 HydrophobicContact CD2-SD 4.4Å; F239-M243 HydrophobicContact CE1-CG 3.93Å; F239-M243 HydrophobicContact CE2-CE 4.22Å; F239-M243 HydrophobicContact CE2-CG 3.53Å; F239-M243 HydrophobicContact CE2-SD 3.58Å; F239-M243 VanDerWaalsContact CE2-SD 3.58Å; F239-M243 HydrophobicContact CG-CG 4.36Å; F239-M243 HydrophobicContact CZ-CE 3.83Å; F239-M243 HydrophobicContact CZ-CG 3.51Å; F239-M243 HydrophobicContact CZ-SD 3.77Å; F239-M243 VanDerWaalsContact O-CG 3.28Å; F239-M243 WeakPolarHBondContact O-CG 3.35Å; F239-M243 PolarHBondContact O-N 2.93Å; V240-M243 PolarHBondContact O-N 2.89Å; W241-M243 VanDerWaalsContact C-N 3.3Å; W241-M243 PolarHBondContact O-N 2.92Å; M243-L247 HydrophobicContact CB-CD1 4.31Å; M243-L247 HydrophobicContact CE-CD1 3.26Å; M243-L247 HydrophobicContact CE-CG 4.28Å; M243-L247 WeakPolarHBondContact O-CB 3.34Å; M243-L247 PolarHBondContact O-N 3.18Å; M243-L247 HydrophobicContact SD-CD1 3.59Å; M243-L247 VanDerWaalsContact SD-CD1 3.59Å; M243-L247 HydrophobicContact SD-CD2 4.48Å; M243-L247 HydrophobicContact SD-CG 3.98Å; M243-F280 HydrophobicContact CE-CB 4.12Å; M243-F280 HydrophobicContact CE-CD1 3.7Å; M243-F280 HydrophobicContact CE-CE1 4.43Å; M243-F280 HydrophobicContact CE-CG 4.05Å |
| 244 | V | 81.6 | Confident | 70.2 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.6 | -38.2 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | K198 R199 D221 V240 W241 L242 P248 | K198-V244 HydrophobicContact CB-CG1 3.89Å; R199-V244 VanDerWaalsContact CD-CG2 3.49Å; R199-V244 HydrophobicContact CG-CB 4.44Å; R199-V244 HydrophobicContact CG-CG1 4.03Å; R199-V244 HydrophobicContact CG-CG2 3.55Å; D221-V244 HydrophobicContact CB-CG2 4.38Å; V240-V244 WeakPolarHBondContact O-CG2 3.46Å; V240-V244 PolarHBondContact O-N 3.15Å; W241-V244 PolarHBondContact O-N 3.01Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.33Å; V244-P248 WeakPolarHBondContact O-CD 3.36Å |
| 245 | E | 77.1 | Confident | 67.7 | Low | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -85.6 | -33.5 | -176 | -71.7 | -65.7 | 169.3 | 0 | 0 | 114.1 | K198 W241 L242 | K198-E245 IonicContact NZ-OE2 2.93Å; K198-E245 PolarHBondContact NZ-OE2 2.69Å; W241-E245 HydrophobicContact CD2-CG 4.15Å; W241-E245 HydrophobicContact CG-CG 4.3Å; W241-E245 HydrophobicContact CZ2-CB 4.5Å; W241-E245 HydrophobicContact CZ2-CG 3.96Å; W241-E245 VanDerWaalsContact O-CB 3.31Å; W241-E245 WeakPolarHBondContact O-CB 3.28Å; W241-E245 WeakPolarHBondContact O-CG 3.33Å; W241-E245 PolarHBondContact O-N 3.23Å; L242-E245 PolarHBondContact O-N 2.98Å |
| 246 | L | 70.3 | Confident | 65.4 | Low | 30 Ų | 30 | 56.9 Ų | 56.9 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -101.6 | -40.4 | -170 | -57.7 | 179.9 | 0 | 0 | 0 | 113.8 | L242 R249 A250 L308 | L242-L246 HydrophobicContact CB-CD1 4.13Å; L242-L246 HydrophobicContact CD2-CD1 3.42Å; L242-L246 VanDerWaalsContact CD2-CD1 3.42Å; L242-L246 HydrophobicContact CD2-CG 4.2Å; L242-L246 HydrophobicContact CG-CD1 4.36Å; L242-L246 WeakPolarHBondContact O-CA 3.18Å; L242-L246 WeakPolarHBondContact O-CB 3.38Å; L242-L246 WeakPolarHBondContact O-CG 3.44Å; L242-L246 PolarHBondContact O-N 2.87Å; L246-R249 WeakPolarHBondContact O-CB 3.39Å; L246-R249 PolarHBondContact O-N 2.81Å; L246-R249 VanDerWaalsContact O-N 3.1Å; L246-A250 PolarHBondContact O-N 3.18Å; L246-A250 VanDerWaalsContact O-N 3.08Å; L246-L308 HydrophobicContact CD1-CB 3.84Å; L246-L308 HydrophobicContact CD1-CD1 3.77Å; L246-L308 HydrophobicContact CD1-CD2 4.24Å; L246-L308 HydrophobicContact CD1-CG 4.16Å |
| 247 | L | 64.6 | Low | 63.1 | Low | 82 Ų | 82 | 60.2 Ų | 60.2 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | -174.6 | -69.4 | -177 | 0 | 0 | 0 | 114 | M243 R249 A250 R251 | M243-L247 HydrophobicContact CB-CD1 4.31Å; M243-L247 HydrophobicContact CE-CD1 3.26Å; M243-L247 HydrophobicContact CE-CG 4.28Å; M243-L247 WeakPolarHBondContact O-CB 3.34Å; M243-L247 PolarHBondContact O-N 3.18Å; M243-L247 HydrophobicContact SD-CD1 3.59Å; M243-L247 VanDerWaalsContact SD-CD1 3.59Å; M243-L247 HydrophobicContact SD-CD2 4.48Å; M243-L247 HydrophobicContact SD-CG 3.98Å; L247-R249 PolarHBondContact O-N 2.92Å; L247-A250 PolarHBondContact O-N 3.05Å; L247-A250 VanDerWaalsContact O-N 3.13Å; L247-R251 PolarHBondContact O-N 3.05Å |
| 248 | P | 60.8 | Low | 60.8 | Low | 50 Ų | 50 | 62.7 Ų | 62.7 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -30.6 | 175.3 | -25.7 | 36 | 0 | 0 | 0 | 112.8 | V244 | V244-P248 WeakPolarHBondContact O-CD 3.36Å |
| 249 | R | 53.4 | Low | 58.3 | Low | 99 Ų | 99 | 65.7 Ų | 65.7 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.6 | -34 | 178 | -66.7 | -179.2 | 171.4 | 173.3 | 0.7 | 112.9 | L246 L247 R251 S253 | L246-R249 WeakPolarHBondContact O-CB 3.39Å; L246-R249 PolarHBondContact O-N 2.81Å; L246-R249 VanDerWaalsContact O-N 3.1Å; L247-R249 PolarHBondContact O-N 2.92Å; R249-R251 VanDerWaalsContact C-N 3.31Å; R249-R251 PolarHBondContact O-N 2.58Å; R249-S253 PolarHBondContact O-N 2.77Å; R249-S253 PolarHBondContact O-OG 3.25Å; R249-S253 VanDerWaalsContact O-OG 3.06Å |
| 250 | A | 42.6 | Very low | 56 | Low | 41 Ų | 41 | 66.7 Ų | 66.7 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.9 | -29.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L246 L247 S253 | L246-A250 PolarHBondContact O-N 3.18Å; L246-A250 VanDerWaalsContact O-N 3.08Å; L247-A250 PolarHBondContact O-N 3.05Å; L247-A250 VanDerWaalsContact O-N 3.13Å; A250-S253 PolarHBondContact O-OG 3.29Å |
| 251 | R | 45.8 | Very low | 53.6 | Low | 226 Ų | 226 | 73.2 Ų | 73.2 | 85% | 0.853 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -77.5 | -28.6 | -180 | -159.6 | 175 | -175.7 | 175.3 | 2.4 | 113.6 | L247 R249 | L247-R251 PolarHBondContact O-N 3.05Å; R249-R251 VanDerWaalsContact C-N 3.31Å; R249-R251 PolarHBondContact O-N 2.58Å |
| 252 | N | 45.1 | Very low | 51.3 | Low | 87 Ų | 87 | 74.4 Ų | 74.4 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -88.2 | -11.3 | 179.9 | -75.1 | -21.8 | 0 | 0 | 0 | 114 | S12 | S12-N252 VanDerWaalsContact CB-ND2 3.3Å; S12-N252 WeakPolarHBondContact CB-ND2 3.39Å; S12-N252 PolarHBondContact OG-ND2 2.83Å |
| 253 | S | 40.2 | Very low | 49.1 | Very low | 52 Ų | 52 | 76.1 Ų | 76.1 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -89.9 | 119.5 | 166.4 | 34.5 | 0 | 0 | 0 | 0 | 107.3 | R249 A250 V255 | R249-S253 PolarHBondContact O-N 2.77Å; R249-S253 PolarHBondContact O-OG 3.25Å; R249-S253 VanDerWaalsContact O-OG 3.06Å; A250-S253 PolarHBondContact O-OG 3.29Å; S253-V255 PolarHBondContact O-N 3.27Å |
| 254 | T | 36.9 | Very low | 47 | Very low | 142 Ų | 142 | 79.6 Ų | 79.6 | 87% | 0.871 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.9 | 109.8 | 176.9 | 29.6 | 0 | 0 | 0 | 0 | 110.5 | V256 | T254-V256 PolarHBondContact O-N 2.91Š|
| 255 | V | 33.5 | Very low | 44.9 | Very low | 133 Ų | 133 | 88.8 Ų | 88.8 | 81% | 0.806 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.7 | 80.3 | 173 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | S253 N257 | S253-V255 PolarHBondContact O-N 3.27Å; V255-N257 VanDerWaalsContact C-N 3.26Å; V255-N257 PolarHBondContact O-N 3.48Å |
| 256 | V | 38.4 | Very low | 42.8 | Very low | 43 Ų | 43 | 92.8 Ų | 92.8 | 26% | 0.261 | 49% | 0.486 | S | S | . | . | trans | -59.9 | 105 | 163.6 | -176.3 | 0 | 0 | 0 | 0 | 105.5 | T254 L258 | T254-V256 PolarHBondContact O-N 2.91Å; V256-L258 HydrophobicContact CB-CD1 4.09Å; V256-L258 HydrophobicContact CG1-CD1 3.59Å; V256-L258 HydrophobicContact CG1-CG 4.3Å; V256-L258 PolarHBondContact O-N 3.09Å | ||
| 257 | N | 38.4 | Very low | 41 | Very low | 97 Ų | 97 | 98.8 Ų | 98.8 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | trans | -68.1 | 70.9 | 172.6 | -164.4 | -10 | 0 | 0 | 0 | 107.5 | V255 H259 G260 H261 | V255-N257 VanDerWaalsContact C-N 3.26Å; V255-N257 PolarHBondContact O-N 3.48Å; N257-H259 PolarHBondContact O-N 3.44Å; N257-H259 WeakPolarHBondContact OD1-CB 3.43Å; N257-G260 PolarHBondContact O-N 3.3Å; N257-G260 PolarHBondContact OD1-N 3.42Å; N257-H261 PolarHBondContact O-N 3.27Å | ||
| 258 | L | 39.9 | Very low | 39.6 | Very low | 53 Ų | 53 | 100.1 Ų | 100.1 | 28% | 0.277 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -28.1 | 173.5 | -110.4 | 111.5 | 0 | 0 | 0 | 109.7 | V256 G260 L262 M277 | V256-L258 HydrophobicContact CB-CD1 4.09Å; V256-L258 HydrophobicContact CG1-CD1 3.59Å; V256-L258 HydrophobicContact CG1-CG 4.3Å; V256-L258 PolarHBondContact O-N 3.09Å; L258-G260 VanDerWaalsContact C-N 3.33Å; L258-G260 PolarHBondContact O-N 3.02Å; L258-L262 HydrophobicContact CD2-CD1 4.26Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CD1 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.29Å; L258-L262 PolarHBondContact O-N 3.34Å; L258-L262 VanDerWaalsContact O-N 3.1Å; L258-M277 HydrophobicContact CB-CE 3.66Å; L258-M277 HydrophobicContact CD1-CE 4.32Å; L258-M277 HydrophobicContact CD2-CE 3.52Å; L258-M277 HydrophobicContact CG-CE 4Å |
| 259 | H | 35.3 | Very low | 38.8 | Very low | 110 Ų | 110 | 103.3 Ų | 103.3 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.8 | -39.9 | 170.3 | -91.7 | 76.6 | 0 | 0 | 0 | 112.5 | N257 S263 | N257-H259 PolarHBondContact O-N 3.44Å; N257-H259 WeakPolarHBondContact OD1-CB 3.43Å; H259-S263 PolarHBondContact O-N 3.1Å |
| 260 | G | 35.5 | Very low | 38.3 | Very low | 31 Ų | 31 | 104.9 Ų | 104.9 | 32% | 0.32 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.9 | -38.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | N257 L258 S263 | N257-G260 PolarHBondContact O-N 3.3Å; N257-G260 PolarHBondContact OD1-N 3.42Å; L258-G260 VanDerWaalsContact C-N 3.33Å; L258-G260 PolarHBondContact O-N 3.02Å; G260-S263 WeakPolarHBondContact O-CB 3.5Å; G260-S263 PolarHBondContact O-N 3.08Å; G260-S263 PolarHBondContact O-OG 2.63Å |
| 261 | H | 37 | Very low | 38 | Very low | 152 Ų | 152 | 111.7 Ų | 111.7 | 70% | 0.704 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -88.2 | -18.5 | -177.9 | -80.6 | -72.2 | 0 | 0 | 0 | 114.7 | N257 S263 S264 | N257-H261 PolarHBondContact O-N 3.27Å; H261-S263 VanDerWaalsContact C-N 3.27Å; H261-S264 PolarHBondContact O-OG 3.21Å |
| 262 | L | 36.1 | Very low | 38.3 | Very low | 64 Ų | 64 | 102.7 Ų | 102.7 | 34% | 0.335 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.4 | -16.2 | 167.3 | -73.9 | 164.1 | 0 | 0 | 0 | 112.1 | L258 S264 Y265 T273 | L258-L262 HydrophobicContact CD2-CD1 4.26Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CD1 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.29Å; L258-L262 PolarHBondContact O-N 3.34Å; L258-L262 VanDerWaalsContact O-N 3.1Å; L262-S264 VanDerWaalsContact C-N 3.27Å; L262-S264 PolarHBondContact O-N 3.21Å; L262-Y265 PolarHBondContact O-N 2.99Å; L262-T273 HydrophobicContact CD1-CG2 4.46Å |
| 263 | S | 36.5 | Very low | 38.2 | Very low | 48 Ų | 48 | 100 Ų | 100 | 34% | 0.336 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -68.7 | -21.2 | 177.5 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | H259 G260 H261 Y265 Q266 | H259-S263 PolarHBondContact O-N 3.1Å; G260-S263 WeakPolarHBondContact O-CB 3.5Å; G260-S263 PolarHBondContact O-N 3.08Å; G260-S263 PolarHBondContact O-OG 2.63Å; H261-S263 VanDerWaalsContact C-N 3.27Å; S263-Y265 VanDerWaalsContact C-N 3.26Å; S263-Y265 PolarHBondContact O-N 3.32Å; S263-Q266 WeakPolarHBondContact O-CB 3.16Å; S263-Q266 WeakPolarHBondContact O-CG 3.04Å; S263-Q266 PolarHBondContact O-N 3.07Å |
| 264 | S | 38.4 | Very low | 38.5 | Very low | 92 Ų | 92 | 103.1 Ų | 103.1 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -81.1 | -5.4 | 174.4 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | H261 L262 | H261-S264 PolarHBondContact O-OG 3.21Å; L262-S264 VanDerWaalsContact C-N 3.27Å; L262-S264 PolarHBondContact O-N 3.21Å |
| 265 | Y | 36.6 | Very low | 39 | Very low | 200 Ų | 200 | 102.2 Ų | 102.2 | 78% | 0.784 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -103.9 | 32.4 | 170.3 | -86.7 | -89 | 0 | 0 | 0 | 111.4 | L262 S263 N267 | L262-Y265 PolarHBondContact O-N 2.99Å; S263-Y265 VanDerWaalsContact C-N 3.26Å; S263-Y265 PolarHBondContact O-N 3.32Å; Y265-N267 PolarHBondContact O-N 3.37Å |
| 266 | Q | 32.4 | Very low | 39.5 | Very low | 116 Ų | 116 | 96.3 Ų | 96.3 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | trans | -66.4 | 89.2 | 173 | -87.9 | 169.6 | 5.8 | 0 | 0 | 110.5 | S263 | S263-Q266 WeakPolarHBondContact O-CB 3.16Å; S263-Q266 WeakPolarHBondContact O-CG 3.04Å; S263-Q266 PolarHBondContact O-N 3.07Å | ||
| 267 | N | 33.4 | Very low | 39.8 | Very low | 156 Ų | 156 | 96.6 Ų | 96.6 | 83% | 0.834 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -161.5 | 119.7 | 143.2 | -87.1 | -35.7 | 0 | 0 | 0 | 109.5 | Y265 K269 | Y265-N267 PolarHBondContact O-N 3.37Å; N267-K269 PolarHBondContact O-N 3.2Å |
| 268 | A | 35.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 96.2 Ų | 96.2 | 92% | 0.917 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 74.2 | -0 | 162.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||
| 269 | K | 44.4 | Very low | 40.6 | Very low | 117 Ų | 117 | 96.8 Ų | 96.8 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | trans | -127.4 | 14.3 | -178.5 | -87.7 | -175.8 | 176.1 | -177.7 | 0 | 117.8 | N267 K271 S272 | N267-K269 PolarHBondContact O-N 3.2Å; K269-K271 VanDerWaalsContact C-N 3.33Å; K269-K271 PolarHBondContact O-N 2.55Å; K269-K271 VanDerWaalsContact O-N 3.17Å; K269-S272 PolarHBondContact O-N 3.37Å; K269-S272 PolarHBondContact O-OG 2.65Å | ||
| 270 | Q | 40.9 | Very low | 41.1 | Very low | 132 Ų | 132 | 93.2 Ų | 93.2 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.1 | -15.5 | -165.4 | -128 | 174.2 | -3.7 | 0 | 0 | 116.8 | ||
| 271 | K | 37 | Very low | 41.6 | Very low | 184 Ų | 184 | 97.2 Ų | 97.2 | 80% | 0.8 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.7 | -34.4 | 177.5 | -93.1 | -176.5 | 174.9 | -179.3 | 0 | 113.4 | K269 Q275 | K269-K271 VanDerWaalsContact C-N 3.33Å; K269-K271 PolarHBondContact O-N 2.55Å; K269-K271 VanDerWaalsContact O-N 3.17Å; K271-Q275 WeakPolarHBondContact O-CG 3.22Å; K271-Q275 PolarHBondContact O-OE1 2.62Å |
| 272 | S | 51.8 | Low | 41.9 | Very low | 37 Ų | 37 | 94 Ų | 94 | 26% | 0.259 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.5 | -34 | -174.2 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | K269 Q275 L276 | K269-S272 PolarHBondContact O-N 3.37Å; K269-S272 PolarHBondContact O-OG 2.65Å; S272-Q275 PolarHBondContact O-N 3.46Å; S272-L276 WeakPolarHBondContact O-CB 3.46Å; S272-L276 VanDerWaalsContact O-CD1 3.28Å; S272-L276 WeakPolarHBondContact O-CD1 3.48Å; S272-L276 VanDerWaalsContact O-CG 3.23Å; S272-L276 WeakPolarHBondContact O-CG 3.23Å; S272-L276 PolarHBondContact O-N 3.15Å |
| 273 | T | 43.6 | Very low | 42.1 | Very low | 29 Ų | 29 | 99 Ų | 99 | 18% | 0.178 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | -172.7 | 18.2 | 0 | 0 | 0 | 0 | 113.3 | L262 M277 | L262-T273 HydrophobicContact CD1-CG2 4.46Å; T273-M277 WeakPolarHBondContact O-CG 3.34Å; T273-M277 PolarHBondContact O-N 2.61Å; T273-M277 VanDerWaalsContact O-N 3.09Å |
| 274 | K | 45.7 | Very low | 42.3 | Very low | 118 Ų | 118 | 101.8 Ų | 101.8 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 175.2 | -169.5 | 177.6 | 179.1 | -176.1 | 0 | 111.7 | L276 M277 D278 | K274-L276 VanDerWaalsContact C-N 3.29Å; K274-L276 PolarHBondContact O-N 3.06Å; K274-M277 PolarHBondContact O-N 2.94Å; K274-M277 VanDerWaalsContact O-N 3.16Å; K274-D278 PolarHBondContact O-N 3.1Å |
| 275 | Q | 47.8 | Very low | 42.3 | Very low | 123 Ų | 123 | 98.7 Ų | 98.7 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 174.8 | -70.6 | 179 | -56.1 | 0 | 0 | 111.8 | K271 S272 D278 L279 | K271-Q275 WeakPolarHBondContact O-CG 3.22Å; K271-Q275 PolarHBondContact O-OE1 2.62Å; S272-Q275 PolarHBondContact O-N 3.46Å; Q275-D278 PolarHBondContact O-N 2.69Å; Q275-L279 WeakPolarHBondContact O-CB 3.32Å; Q275-L279 WeakPolarHBondContact O-CD1 3.4Å; Q275-L279 PolarHBondContact O-N 3.32Å |
| 276 | L | 44.6 | Very low | 42.4 | Very low | 10 Ų | 10 | 92.2 Ų | 92.2 | 5% | 0.052 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 173.6 | -85.9 | 159.4 | 0 | 0 | 0 | 111.5 | S272 K274 D278 L279 F280 N297 A300 | S272-L276 WeakPolarHBondContact O-CB 3.46Å; S272-L276 VanDerWaalsContact O-CD1 3.28Å; S272-L276 WeakPolarHBondContact O-CD1 3.48Å; S272-L276 VanDerWaalsContact O-CG 3.23Å; S272-L276 WeakPolarHBondContact O-CG 3.23Å; S272-L276 PolarHBondContact O-N 3.15Å; K274-L276 VanDerWaalsContact C-N 3.29Å; K274-L276 PolarHBondContact O-N 3.06Å; L276-D278 VanDerWaalsContact C-N 3.34Å; L276-D278 PolarHBondContact O-N 2.92Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 PolarHBondContact O-N 3.04Å; L276-F280 HydrophobicContact CB-CD2 4.37Å; L276-F280 HydrophobicContact CB-CE2 3.73Å; L276-F280 HydrophobicContact CB-CZ 4.36Å; L276-F280 HydrophobicContact CD2-CE2 3.81Å; L276-F280 HydrophobicContact CD2-CZ 3.56Å; L276-F280 HydrophobicContact CG-CE2 4.4Å; L276-F280 WeakPolarHBondContact O-CD2 3.48Å; L276-F280 VanDerWaalsContact O-CE2 3.25Å; L276-F280 WeakPolarHBondContact O-CE2 3.4Å; L276-F280 WeakPolarHBondContact O-CG 3.3Å; L276-F280 PolarHBondContact O-N 3.31Å; L276-N297 HydrophobicContact CD2-CB 3.93Å; L276-A300 HydrophobicContact CD1-CB 3.2Å |
| 277 | M | 45.1 | Very low | 42.7 | Very low | 48 Ų | 48 | 92.4 Ų | 92.4 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 178.7 | -67.3 | -74.2 | -100.3 | 0 | 0 | 112.7 | L258 T273 K274 F280 T281 | L258-M277 HydrophobicContact CB-CE 3.66Å; L258-M277 HydrophobicContact CD1-CE 4.32Å; L258-M277 HydrophobicContact CD2-CE 3.52Å; L258-M277 HydrophobicContact CG-CE 4Å; T273-M277 WeakPolarHBondContact O-CG 3.34Å; T273-M277 PolarHBondContact O-N 2.61Å; T273-M277 VanDerWaalsContact O-N 3.09Å; K274-M277 PolarHBondContact O-N 2.94Å; K274-M277 VanDerWaalsContact O-N 3.16Å; M277-F280 PolarHBondContact O-N 3.39Å; M277-F280 VanDerWaalsContact O-N 3.12Å; M277-F280 HydrophobicContact SD-CD2 4.44Å; M277-T281 PolarHBondContact O-N 3.42Å; M277-T281 PolarHBondContact O-OG1 2.73Å |
| 278 | D | 48.2 | Very low | 42.9 | Very low | 90 Ų | 90 | 92.4 Ų | 92.4 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 175 | -65.8 | -22.8 | 0 | 0 | 0 | 111.2 | K274 Q275 L276 F280 T281 | K274-D278 PolarHBondContact O-N 3.1Å; Q275-D278 PolarHBondContact O-N 2.69Å; L276-D278 VanDerWaalsContact C-N 3.34Å; L276-D278 PolarHBondContact O-N 2.92Å; D278-F280 PolarHBondContact O-N 3.47Å; D278-T281 PolarHBondContact O-N 2.62Å; D278-T281 PolarHBondContact O-OG1 3.07Å |
| 279 | L | 45.4 | Very low | 43.2 | Very low | 64 Ų | 64 | 88.9 Ų | 88.9 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.8 | -28.7 | 168.7 | -98.7 | 102 | 0 | 0 | 0 | 112.4 | Q275 L276 V285 L289 | Q275-L279 WeakPolarHBondContact O-CB 3.32Å; Q275-L279 WeakPolarHBondContact O-CD1 3.4Å; Q275-L279 PolarHBondContact O-N 3.32Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 PolarHBondContact O-N 3.04Å; L279-V285 HydrophobicContact CB-CG1 4.11Å; L279-V285 HydrophobicContact CD2-CG1 3.69Å; L279-V285 HydrophobicContact CG-CG1 4Å; L279-V285 WeakPolarHBondContact O-CB 3.33Å; L279-V285 VanDerWaalsContact O-CG1 3.29Å; L279-V285 WeakPolarHBondContact O-CG1 3.03Å; L279-L289 HydrophobicContact CD2-CD2 4.08Å |
| 280 | F | 47.3 | Very low | 43 | Very low | 36 Ų | 36 | 88.6 Ų | 88.6 | 16% | 0.158 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -88.6 | -13.2 | -176.5 | -63.5 | -43.4 | 0 | 0 | 0 | 114.6 | F239 M243 L276 M277 D278 | F239-F280 AromaticContact CE2-CE1 3.94Å; F239-F280 HydrophobicContact CE2-CE1 3.94Å; F239-F280 HydrophobicContact CE2-CZ 4.24Å; F239-F280 HydrophobicContact CZ-CD1 4.07Å; F239-F280 AromaticContact CZ-CE1 3.49Å; F239-F280 HydrophobicContact CZ-CE1 3.49Å; F239-F280 VanDerWaalsContact CZ-CE1 3.49Å; F239-F280 HydrophobicContact CZ-CZ 4.22Å; M243-F280 HydrophobicContact CE-CB 4.12Å; M243-F280 HydrophobicContact CE-CD1 3.7Å; M243-F280 HydrophobicContact CE-CE1 4.43Å; M243-F280 HydrophobicContact CE-CG 4.05Å; L276-F280 HydrophobicContact CB-CD2 4.37Å; L276-F280 HydrophobicContact CB-CE2 3.73Å; L276-F280 HydrophobicContact CB-CZ 4.36Å; L276-F280 HydrophobicContact CD2-CE2 3.81Å; L276-F280 HydrophobicContact CD2-CZ 3.56Å; L276-F280 HydrophobicContact CG-CE2 4.4Å; L276-F280 WeakPolarHBondContact O-CD2 3.48Å; L276-F280 VanDerWaalsContact O-CE2 3.25Å; L276-F280 WeakPolarHBondContact O-CE2 3.4Å; L276-F280 WeakPolarHBondContact O-CG 3.3Å; L276-F280 PolarHBondContact O-N 3.31Å; M277-F280 PolarHBondContact O-N 3.39Å; M277-F280 VanDerWaalsContact O-N 3.12Å; M277-F280 HydrophobicContact SD-CD2 4.44Å; D278-F280 PolarHBondContact O-N 3.47Å |
| 281 | T | 46.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 83.9 Ų | 83.9 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -89.3 | -15.1 | 177.2 | 44.7 | 0 | 0 | 0 | 0 | 114.1 | M277 D278 | M277-T281 PolarHBondContact O-N 3.42Å; M277-T281 PolarHBondContact O-OG1 2.73Å; D278-T281 PolarHBondContact O-N 2.62Å; D278-T281 PolarHBondContact O-OG1 3.07Å |
| 282 | D | 42.1 | Very low | 43.5 | Very low | 84 Ų | 84 | 80 Ų | 80 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | trans | -94.6 | 118.1 | -179.2 | -160.5 | -15.3 | 0 | 0 | 0 | 110.5 | D284 V285 | D282-D284 PolarHBondContact O-N 3.18Å; D282-D284 PolarHBondContact OD1-N 3.38Å; D282-V285 HydrophobicContact CB-CB 4.44Å; D282-V285 HydrophobicContact CB-CG2 3.75Å; D282-V285 PolarHBondContact O-N 2.82Å | ||
| 283 | H | 41.3 | Very low | 43.1 | Very low | 169 Ų | 169 | 79.6 Ų | 79.6 | 78% | 0.782 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.5 | -177.3 | -105.5 | 21.8 | 0 | 0 | 0 | 112.5 | ||
| 284 | D | 40 | Very low | 43.2 | Very low | 108 Ų | 108 | 79.9 Ų | 79.9 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -17.3 | -178.6 | -71.6 | -21.5 | 0 | 0 | 0 | 113.1 | D282 T287 | D282-D284 PolarHBondContact O-N 3.18Å; D282-D284 PolarHBondContact OD1-N 3.38Å; D284-T287 PolarHBondContact O-N 3.28Å; D284-T287 PolarHBondContact O-OG1 2.71Å |
| 285 | V | 39.2 | Very low | 43.4 | Very low | 26 Ų | 26 | 80.2 Ų | 80.2 | 16% | 0.158 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -74.6 | -33 | -178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | L279 D282 T287 Q288 L289 | L279-V285 HydrophobicContact CB-CG1 4.11Å; L279-V285 HydrophobicContact CD2-CG1 3.69Å; L279-V285 HydrophobicContact CG-CG1 4Å; L279-V285 WeakPolarHBondContact O-CB 3.33Å; L279-V285 VanDerWaalsContact O-CG1 3.29Å; L279-V285 WeakPolarHBondContact O-CG1 3.03Å; D282-V285 HydrophobicContact CB-CB 4.44Å; D282-V285 HydrophobicContact CB-CG2 3.75Å; D282-V285 PolarHBondContact O-N 2.82Å; V285-T287 PolarHBondContact O-N 2.79Å; V285-Q288 CarbonylContact O-C 3.55Å; V285-Q288 PolarHBondContact O-N 2.54Å; V285-L289 HydrophobicContact CG1-CD2 4.2Å; V285-L289 HydrophobicContact CG1-CG 4.14Å; V285-L289 WeakPolarHBondContact O-CG 3.46Å; V285-L289 PolarHBondContact O-N 2.88Å |
| 286 | L | 38.5 | Very low | 43.4 | Very low | 65 Ų | 65 | 82.3 Ų | 82.3 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -64.2 | -23 | 177.2 | -71.4 | 176.1 | 0 | 0 | 0 | 113.1 | F239 L289 | F239-L286 HydrophobicContact CE1-CD2 4.24Å; L286-L289 HydrophobicContact CD2-CD1 3.89Å |
| 287 | T | 38 | Very low | 43.7 | Very low | 120 Ų | 120 | 83.9 Ų | 83.9 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -85.8 | -10.8 | 172.7 | 39 | 0 | 0 | 0 | 0 | 114 | D284 V285 | D284-T287 PolarHBondContact O-N 3.28Å; D284-T287 PolarHBondContact O-OG1 2.71Å; V285-T287 PolarHBondContact O-N 2.79Å |
| 288 | Q | 37.4 | Very low | 44.1 | Very low | 155 Ų | 155 | 83.2 Ų | 83.2 | 72% | 0.724 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 4.6 | -177.1 | -71.4 | -175.4 | -7.7 | 0 | 0 | 114 | V285 D290 | V285-Q288 CarbonylContact O-C 3.55Å; V285-Q288 PolarHBondContact O-N 2.54Å; Q288-D290 VanDerWaalsContact C-N 3.27Å; Q288-D290 PolarHBondContact O-N 3.26Å |
| 289 | L | 42.5 | Very low | 44.3 | Very low | 37 Ų | 37 | 81.6 Ų | 81.6 | 19% | 0.194 | 44% | 0.437 | C | S | . | . | trans | -69 | 88.5 | 172.2 | -76.8 | 170.3 | 0 | 0 | 0 | 109.4 | F239 L279 V285 L286 A293 M294 | F239-L289 HydrophobicContact CE1-CD1 4.41Å; L279-L289 HydrophobicContact CD2-CD2 4.08Å; V285-L289 HydrophobicContact CG1-CD2 4.2Å; V285-L289 HydrophobicContact CG1-CG 4.14Å; V285-L289 WeakPolarHBondContact O-CG 3.46Å; V285-L289 PolarHBondContact O-N 2.88Å; L286-L289 HydrophobicContact CD2-CD1 3.89Å; L289-A293 HydrophobicContact CD2-CB 4.25Å; L289-M294 HydrophobicContact CB-CG 4.26Å | ||
| 290 | D | 40.9 | Very low | 44.7 | Very low | 111 Ų | 111 | 79.1 Ų | 79.1 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | trans | -61.6 | 150.7 | 168.1 | -159.4 | -7.4 | 0 | 0 | 0 | 110 | Q288 D292 A293 M294 | Q288-D290 VanDerWaalsContact C-N 3.27Å; Q288-D290 PolarHBondContact O-N 3.26Å; D290-D292 PolarHBondContact O-N 3.41Å; D290-A293 PolarHBondContact O-N 3.17Å; D290-M294 PolarHBondContact O-N 2.88Å | ||
| 291 | D | 44.8 | Very low | 45.1 | Very low | 33 Ų | 33 | 78.3 Ų | 78.3 | 18% | 0.176 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -53.4 | -30.6 | -174.8 | -96.9 | -11.2 | 0 | 0 | 0 | 112.2 | P93 S94 M294 K295 | P93-D291 WeakPolarHBondContact CB-OD2 3.48Å; S94-D291 WeakPolarHBondContact CB-OD2 3.37Å; S94-D291 PolarHBondContact OG-OD2 3.07Å; D291-M294 PolarHBondContact O-N 3.46Å; D291-K295 WeakPolarHBondContact O-CG 3.45Å; D291-K295 PolarHBondContact O-N 3.34Å |
| 292 | D | 42.8 | Very low | 45.6 | Very low | 102 Ų | 102 | 76.3 Ų | 76.3 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.3 | -39.8 | -179.7 | -70.3 | -18.7 | 0 | 0 | 0 | 112.3 | D290 M294 K295 E296 | D290-D292 PolarHBondContact O-N 3.41Å; D292-M294 VanDerWaalsContact C-N 3.31Å; D292-M294 PolarHBondContact O-N 3.08Å; D292-K295 PolarHBondContact O-N 3.39Å; D292-E296 PolarHBondContact O-N 3.42Å |
| 293 | A | 44.6 | Very low | 46.4 | Very low | 29 Ų | 29 | 76.9 Ų | 76.9 | 24% | 0.24 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.1 | -34.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L289 D290 N297 | L289-A293 HydrophobicContact CD2-CB 4.25Å; D290-A293 PolarHBondContact O-N 3.17Å; A293-N297 VanDerWaalsContact O-CB 3.32Å; A293-N297 WeakPolarHBondContact O-CB 3.44Å; A293-N297 PolarHBondContact O-N 3.48Å; A293-N297 PolarHBondContact O-ND2 3.17Å |
| 294 | M | 45.3 | Very low | 47.2 | Very low | 36 Ų | 36 | 70.3 Ų | 70.3 | 18% | 0.177 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 174.4 | -69.5 | -158.8 | 70.5 | 0 | 0 | 112.3 | I236 F239 L289 D290 D291 D292 A298 | I236-M294 HydrophobicContact CB-CE 4.19Å; I236-M294 HydrophobicContact CG1-CE 3.84Å; I236-M294 HydrophobicContact CG1-SD 4.16Å; I236-M294 HydrophobicContact CG2-CE 4.12Å; I236-M294 HydrophobicContact CG2-SD 4.32Å; F239-M294 HydrophobicContact CD1-CE 3.99Å; L289-M294 HydrophobicContact CB-CG 4.26Å; D290-M294 PolarHBondContact O-N 2.88Å; D291-M294 PolarHBondContact O-N 3.46Å; D292-M294 VanDerWaalsContact C-N 3.31Å; D292-M294 PolarHBondContact O-N 3.08Å; M294-A298 PolarHBondContact O-N 2.83Å; M294-A298 VanDerWaalsContact O-N 3.15Å |
| 295 | K | 48.8 | Very low | 48 | Very low | 125 Ų | 125 | 65.7 Ų | 65.7 | 54% | 0.543 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.4 | -47.3 | 176 | -77 | 171.1 | -171.3 | 159.2 | 0 | 112.2 | D291 D292 N297 A298 | D291-K295 WeakPolarHBondContact O-CG 3.45Å; D291-K295 PolarHBondContact O-N 3.34Å; D292-K295 PolarHBondContact O-N 3.39Å; K295-N297 PolarHBondContact O-N 3.23Å; K295-A298 WeakPolarHBondContact O-CB 3.49Å; K295-A298 PolarHBondContact O-N 3.41Å |
| 296 | E | 47.8 | Very low | 48.9 | Very low | 166 Ų | 166 | 68.9 Ų | 68.9 | 78% | 0.776 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60 | -37.5 | 178.3 | -79.4 | -168.6 | 152.9 | 0 | 0 | 111.9 | D292 | D292-E296 PolarHBondContact O-N 3.42Å |
| 297 | N | 52.2 | Low | 49.8 | Very low | 44 Ų | 44 | 68.4 Ų | 68.4 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1 | -177.5 | -68.9 | -56.6 | 0 | 0 | 0 | 114.3 | L276 A293 K295 A299 A300 L301 | L276-N297 HydrophobicContact CD2-CB 3.93Å; A293-N297 VanDerWaalsContact O-CB 3.32Å; A293-N297 WeakPolarHBondContact O-CB 3.44Å; A293-N297 PolarHBondContact O-N 3.48Å; A293-N297 PolarHBondContact O-ND2 3.17Å; K295-N297 PolarHBondContact O-N 3.23Å; N297-A299 PolarHBondContact O-N 3.22Å; N297-A299 VanDerWaalsContact O-N 3.12Å; N297-A300 PolarHBondContact O-N 2.97Å; N297-L301 WeakPolarHBondContact O-CB 3.44Å; N297-L301 PolarHBondContact O-N 3Å |
| 298 | A | 52.2 | Low | 50.6 | Low | 33 Ų | 33 | 65.2 Ų | 65.2 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.2 | -36.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M294 K295 L301 N302 | M294-A298 PolarHBondContact O-N 2.83Å; M294-A298 VanDerWaalsContact O-N 3.15Å; K295-A298 WeakPolarHBondContact O-CB 3.49Å; K295-A298 PolarHBondContact O-N 3.41Å; A298-L301 WeakPolarHBondContact O-CB 3.18Å; A298-N302 WeakPolarHBondContact O-CB 3.44Å; A298-N302 VanDerWaalsContact O-CG 3.3Å; A298-N302 PolarHBondContact O-N 2.91Å; A298-N302 PolarHBondContact O-ND2 3.36Å |
| 299 | A | 52.3 | Low | 51.4 | Low | 56 Ų | 56 | 61.9 Ų | 61.9 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N297 N302 Q303 | N297-A299 PolarHBondContact O-N 3.22Å; N297-A299 VanDerWaalsContact O-N 3.12Å; A299-N302 PolarHBondContact O-N 2.98Å; A299-Q303 WeakPolarHBondContact O-CG 3.47Å; A299-Q303 PolarHBondContact O-N 3.39Å; A299-Q303 VanDerWaalsContact O-N 3.07Å |
| 300 | A | 53.9 | Low | 51.8 | Low | 13 Ų | 13 | 65.1 Ų | 65.1 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.5 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L276 N297 Q303 L304 | L276-A300 HydrophobicContact CD1-CB 3.2Å; N297-A300 PolarHBondContact O-N 2.97Å; A300-Q303 WeakPolarHBondContact O-CB 3.42Å; A300-Q303 PolarHBondContact O-N 3.44Å; A300-L304 WeakPolarHBondContact O-CB 3.34Å; A300-L304 PolarHBondContact O-N 3.29Å |
| 301 | L | 56 | Low | 52.2 | Low | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -50.4 | 170.3 | -159.1 | 67.2 | 0 | 0 | 0 | 110.7 | F239 N297 A298 Q303 L304 I305 | F239-L301 HydrophobicContact CB-CD2 3.97Å; F239-L301 HydrophobicContact CD2-CD1 3.1Å; F239-L301 HydrophobicContact CD2-CD2 4.02Å; F239-L301 HydrophobicContact CD2-CG 3.92Å; F239-L301 HydrophobicContact CE2-CD1 3.25Å; F239-L301 HydrophobicContact CE2-CG 4.48Å; F239-L301 HydrophobicContact CG-CD1 3.94Å; F239-L301 HydrophobicContact CG-CD2 4.05Å; F239-L301 HydrophobicContact CG-CG 4.46Å; F239-L301 HydrophobicContact CZ-CD1 4.2Å; N297-L301 WeakPolarHBondContact O-CB 3.44Å; N297-L301 PolarHBondContact O-N 3Å; A298-L301 WeakPolarHBondContact O-CB 3.18Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 2.98Å; L301-L304 WeakPolarHBondContact O-CB 3.43Å; L301-L304 PolarHBondContact O-N 3.47Å; L301-L304 VanDerWaalsContact O-N 3.09Å; L301-I305 HydrophobicContact CG-CD1 4.12Å; L301-I305 WeakPolarHBondContact O-CB 3.37Å; L301-I305 WeakPolarHBondContact O-CG1 3.42Å; L301-I305 PolarHBondContact O-N 2.88Å |
| 302 | N | 56.9 | Low | 52.2 | Low | 73 Ų | 73 | 71.1 Ų | 71.1 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 175.6 | -79.1 | -21 | 0 | 0 | 0 | 112.5 | A298 A299 I305 N306 | A298-N302 WeakPolarHBondContact O-CB 3.44Å; A298-N302 VanDerWaalsContact O-CG 3.3Å; A298-N302 PolarHBondContact O-N 2.91Å; A298-N302 PolarHBondContact O-ND2 3.36Å; A299-N302 PolarHBondContact O-N 2.98Å; N302-I305 PolarHBondContact O-N 3.15Å; N302-N306 WeakPolarHBondContact O-CB 3.41Å; N302-N306 PolarHBondContact O-N 3.4Å; N302-N306 PolarHBondContact O-ND2 2.82Å |
| 303 | Q | 57.9 | Low | 51.8 | Low | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 174.1 | -74.4 | -179.2 | -20.8 | 0 | 0 | 111.9 | A299 A300 L301 N306 A307 | A299-Q303 WeakPolarHBondContact O-CG 3.47Å; A299-Q303 PolarHBondContact O-N 3.39Å; A299-Q303 VanDerWaalsContact O-N 3.07Å; A300-Q303 WeakPolarHBondContact O-CB 3.42Å; A300-Q303 PolarHBondContact O-N 3.44Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 2.98Å; Q303-N306 PolarHBondContact O-N 2.84Å; Q303-A307 WeakPolarHBondContact O-CB 3.39Å; Q303-A307 PolarHBondContact O-N 2.66Å |
| 304 | L | 58.2 | Low | 51.5 | Low | 32 Ų | 32 | 82 Ų | 82 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.5 | -149.4 | 104.1 | 0 | 0 | 0 | 111.3 | A300 L301 N306 A307 L308 | A300-L304 WeakPolarHBondContact O-CB 3.34Å; A300-L304 PolarHBondContact O-N 3.29Å; L301-L304 WeakPolarHBondContact O-CB 3.43Å; L301-L304 PolarHBondContact O-N 3.47Å; L301-L304 VanDerWaalsContact O-N 3.09Å; L304-N306 PolarHBondContact O-N 3.26Å; L304-A307 PolarHBondContact O-N 2.74Å; L304-L308 HydrophobicContact CD2-CD1 3.86Å; L304-L308 HydrophobicContact CG-CD1 4.31Å; L304-L308 WeakPolarHBondContact O-CB 3.4Å; L304-L308 WeakPolarHBondContact O-CG 3.49Å; L304-L308 PolarHBondContact O-N 2.91Å |
| 305 | I | 58 | Low | 51.8 | Low | 10 Ų | 10 | 84.4 Ų | 84.4 | 5% | 0.051 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -56.7 | -50 | 174.6 | -67 | 172.8 | 0 | 0 | 0 | 109.7 | L238 L242 L301 N302 A307 L308 I309 | L238-I305 HydrophobicContact CD2-CD1 4.18Å; L238-I305 HydrophobicContact CG-CD1 4.46Å; L242-I305 HydrophobicContact CD1-CB 4.24Å; L242-I305 HydrophobicContact CD1-CD1 4.08Å; L242-I305 HydrophobicContact CD1-CG1 3.5Å; L242-I305 VanDerWaalsContact CD1-CG1 3.5Å; L242-I305 HydrophobicContact CD1-CG2 4.07Å; L301-I305 HydrophobicContact CG-CD1 4.12Å; L301-I305 WeakPolarHBondContact O-CB 3.37Å; L301-I305 WeakPolarHBondContact O-CG1 3.42Å; L301-I305 PolarHBondContact O-N 2.88Å; N302-I305 PolarHBondContact O-N 3.15Å; I305-A307 PolarHBondContact O-N 2.86Å; I305-L308 PolarHBondContact O-N 3.39Å; I305-I309 HydrophobicContact CG2-CD1 3.6Å; I305-I309 HydrophobicContact CG2-CG1 4.28Å; I305-I309 WeakPolarHBondContact O-CB 3.36Å; I305-I309 VanDerWaalsContact O-CG1 3.25Å; I305-I309 WeakPolarHBondContact O-CG1 3.16Å; I305-I309 PolarHBondContact O-N 3.21Å |
| 306 | N | 57.2 | Low | 51.9 | Low | 94 Ų | 94 | 82.2 Ų | 82.2 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 179 | -73.2 | -22.4 | 0 | 0 | 0 | 111.8 | N302 Q303 L304 L308 I309 L310 | N302-N306 WeakPolarHBondContact O-CB 3.41Å; N302-N306 PolarHBondContact O-N 3.4Å; N302-N306 PolarHBondContact O-ND2 2.82Å; Q303-N306 PolarHBondContact O-N 2.84Å; L304-N306 PolarHBondContact O-N 3.26Å; N306-L308 VanDerWaalsContact C-N 3.32Å; N306-L308 PolarHBondContact O-N 2.81Å; N306-I309 PolarHBondContact O-N 3.12Å; N306-L310 VanDerWaalsContact O-CG 3.28Å; N306-L310 WeakPolarHBondContact O-CG 3.21Å; N306-L310 PolarHBondContact O-N 2.95Å |
| 307 | A | 58.5 | Low | 52.2 | Low | 54 Ų | 54 | 77.6 Ų | 77.6 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q303 L304 I305 K311 | Q303-A307 WeakPolarHBondContact O-CB 3.39Å; Q303-A307 PolarHBondContact O-N 2.66Å; L304-A307 PolarHBondContact O-N 2.74Å; I305-A307 PolarHBondContact O-N 2.86Å; A307-K311 PolarHBondContact O-N 3.39Å |
| 308 | L | 54.3 | Low | 52.2 | Low | 54 Ų | 54 | 79.5 Ų | 79.5 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.8 | -35.1 | 178.5 | -70.5 | 169.1 | 0 | 0 | 0 | 112.9 | L246 L304 I305 N306 | L246-L308 HydrophobicContact CD1-CB 3.84Å; L246-L308 HydrophobicContact CD1-CD1 3.77Å; L246-L308 HydrophobicContact CD1-CD2 4.24Å; L246-L308 HydrophobicContact CD1-CG 4.16Å; L304-L308 HydrophobicContact CD2-CD1 3.86Å; L304-L308 HydrophobicContact CG-CD1 4.31Å; L304-L308 WeakPolarHBondContact O-CB 3.4Å; L304-L308 WeakPolarHBondContact O-CG 3.49Å; L304-L308 PolarHBondContact O-N 2.91Å; I305-L308 PolarHBondContact O-N 3.39Å; N306-L308 VanDerWaalsContact C-N 3.32Å; N306-L308 PolarHBondContact O-N 2.81Å |
| 309 | I | 54 | Low | 52.1 | Low | 84 Ų | 84 | 82.4 Ų | 82.4 | 43% | 0.431 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 174.1 | -72.3 | 170 | 0 | 0 | 0 | 110.3 | I305 N306 K311 R312 L313 | I305-I309 HydrophobicContact CG2-CD1 3.6Å; I305-I309 HydrophobicContact CG2-CG1 4.28Å; I305-I309 WeakPolarHBondContact O-CB 3.36Å; I305-I309 VanDerWaalsContact O-CG1 3.25Å; I305-I309 WeakPolarHBondContact O-CG1 3.16Å; I305-I309 PolarHBondContact O-N 3.21Å; N306-I309 PolarHBondContact O-N 3.12Å; I309-K311 VanDerWaalsContact C-N 3.29Å; I309-K311 PolarHBondContact O-N 3.17Å; I309-R312 PolarHBondContact O-N 3.35Å; I309-R312 VanDerWaalsContact O-N 3.09Å; I309-L313 HydrophobicContact CG2-CD1 4.33Å; I309-L313 PolarHBondContact O-N 3.38Å |
| 310 | L | 50.2 | Low | 52.1 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.9 | -41.2 | 179.9 | -72.2 | 169.8 | 0 | 0 | 0 | 111.6 | N306 R312 L313 E314 | N306-L310 VanDerWaalsContact O-CG 3.28Å; N306-L310 WeakPolarHBondContact O-CG 3.21Å; N306-L310 PolarHBondContact O-N 2.95Å; L310-R312 PolarHBondContact O-N 3.02Å; L310-R312 VanDerWaalsContact O-N 3.1Å; L310-L313 PolarHBondContact O-N 3.25Å; L310-E314 PolarHBondContact O-N 3.42Å |
| 311 | K | 50.4 | Low | 52 | Low | 120 Ų | 120 | 89.3 Ų | 89.3 | 52% | 0.522 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -7.8 | 178.9 | -147.3 | -176.9 | -177.5 | -175.4 | 0 | 115.1 | A307 I309 | A307-K311 PolarHBondContact O-N 3.39Å; I309-K311 VanDerWaalsContact C-N 3.29Å; I309-K311 PolarHBondContact O-N 3.17Å |
| 312 | R | 43.7 | Very low | 51.7 | Low | 150 Ų | 150 | 94.8 Ų | 94.8 | 57% | 0.566 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -6 | 175.5 | -157.5 | 177.2 | -177.5 | -169.3 | 0.2 | 112.5 | I309 L310 | I309-R312 PolarHBondContact O-N 3.35Å; I309-R312 VanDerWaalsContact O-N 3.09Å; L310-R312 PolarHBondContact O-N 3.02Å; L310-R312 VanDerWaalsContact O-N 3.1Å |
| 313 | L | 36.3 | Very low | 51.3 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 74% | 0.743 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11.6 | 172.5 | -66.2 | 173.6 | 0 | 0 | 0 | 112.4 | I309 L310 | I309-L313 HydrophobicContact CG2-CD1 4.33Å; I309-L313 PolarHBondContact O-N 3.38Å; L310-L313 PolarHBondContact O-N 3.25Å |
| 314 | E | 36.5 | Very low | 50.7 | Low | 218 Ų | 218 | 96.7 Ų | 96.7 | 100% | 1.019 | 48% | 0.481 | S | S | * | . | trans | -92.4 | 0 | 165.9 | -64.8 | 175.7 | 175.4 | 0 | 0 | 111.1 | L310 | L310-E314 PolarHBondContact O-N 3.42Š|
Retrieved 314 of 314 residues in 140.2 ms
(Link to these results)