| 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 | 46.7 | Very low | 64.2 | Low | 203 Ų | 203 | 91.7 Ų | 91.7 | 100% | 1 | 46% | 0.464 | S | S | * | . | 0 | -50.3 | 0 | -69 | -172.9 | -70 | 0 | 0 | 112 | Y3 E4 S5 | M1-Y3 PolarHBondContact O-N 2.87Å; M1-E4 PolarHBondContact O-N 2.84Å; M1-E4 VanDerWaalsContact O-N 3.16Å; M1-S5 PolarHBondContact O-N 3.33Å; M1-S5 PolarHBondContact O-OG 2.98Å | |||
| 2 | E | 55.8 | Low | 65.7 | Low | 134 Ų | 134 | 84.7 Ų | 84.7 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56.9 | -44.7 | -180 | -66.9 | -175.5 | 160.9 | 0 | 0 | 115.4 | E4 S5 A6 | E2-E4 VanDerWaalsContact C-N 3.28Å; E2-E4 PolarHBondContact O-N 3.24Å; E2-S5 WeakPolarHBondContact CA-OG 3.01Å; E2-S5 PolarHBondContact O-N 3.15Å; E2-S5 PolarHBondContact O-OG 3.45Å; E2-A6 VanDerWaalsContact O-CB 3.3Å; E2-A6 WeakPolarHBondContact O-CB 3.26Å; E2-A6 PolarHBondContact O-N 3.48Å |
| 3 | Y | 62.5 | Low | 67.1 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.6 | 177.1 | -95.4 | 0 | 0 | 0 | 111.8 | M1 A7 Y565 V568 | M1-Y3 PolarHBondContact O-N 2.87Å; Y3-A7 HydrophobicContact CE1-CB 4.46Å; Y3-A7 WeakPolarHBondContact O-CB 3.39Å; Y3-A7 PolarHBondContact O-N 3.27Å; Y3-Y565 AromaticContact CE2-CD1 3.55Å; Y3-Y565 HydrophobicContact CE2-CD1 3.55Å; Y3-Y565 AromaticContact CE2-CE1 3.51Å; Y3-Y565 HydrophobicContact CE2-CE1 3.51Å; Y3-Y565 AromaticContact CZ-CD1 3.94Å; Y3-Y565 AromaticContact CZ-CE1 3.49Å; Y3-Y565 VanDerWaalsContact CZ-CE1 3.49Å; Y3-Y565 WeakPolarHBondContact OH-CE1 3.33Å; Y3-V568 HydrophobicContact CD2-CG1 3.69Å; Y3-V568 HydrophobicContact CE2-CB 4.16Å; Y3-V568 HydrophobicContact CE2-CG1 3.68Å; Y3-V568 HydrophobicContact CE2-CG2 4.39Å |
| 4 | E | 61.5 | Low | 67.9 | Low | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.6 | -37.5 | -178.8 | -62.6 | -163.1 | 126.1 | 0 | 0 | 111.9 | M1 E2 A8 K380 | M1-E4 PolarHBondContact O-N 2.84Å; M1-E4 VanDerWaalsContact O-N 3.16Å; E2-E4 VanDerWaalsContact C-N 3.28Å; E2-E4 PolarHBondContact O-N 3.24Å; E4-A8 WeakPolarHBondContact O-CB 3.06Å; E4-A8 PolarHBondContact O-N 2.96Å; E4-K380 IonicContact OE1-NZ 2.65Å; E4-K380 PolarHBondContact OE1-NZ 2.63Å |
| 5 | S | 63.7 | Low | 69.1 | Low | 65 Ų | 65 | 84.1 Ų | 84.1 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 174.4 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | M1 E2 A8 Q9 | M1-S5 PolarHBondContact O-N 3.33Å; M1-S5 PolarHBondContact O-OG 2.98Å; E2-S5 WeakPolarHBondContact CA-OG 3.01Å; E2-S5 PolarHBondContact O-N 3.15Å; E2-S5 PolarHBondContact O-OG 3.45Å; S5-A8 PolarHBondContact O-N 3.29Å; S5-Q9 WeakPolarHBondContact O-CG 3.33Å; S5-Q9 PolarHBondContact O-N 3.31Å |
| 6 | A | 65.3 | Low | 70.5 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.008 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E2 A8 Q9 V10 V568 A572 | E2-A6 VanDerWaalsContact O-CB 3.3Å; E2-A6 WeakPolarHBondContact O-CB 3.26Å; E2-A6 PolarHBondContact O-N 3.48Å; A6-A8 VanDerWaalsContact C-N 3.27Å; A6-A8 PolarHBondContact O-N 3.47Å; A6-Q9 WeakPolarHBondContact O-CB 3.36Å; A6-Q9 PolarHBondContact O-N 3.17Å; A6-Q9 VanDerWaalsContact O-N 3.13Å; A6-V10 PolarHBondContact O-N 3.29Å; A6-V568 HydrophobicContact CB-CG1 3.79Å; A6-A572 HydrophobicContact CB-CB 3.7Å |
| 7 | A | 66.3 | Low | 71.8 | Confident | 12 Ų | 12 | 85.9 Ų | 85.9 | 10% | 0.099 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y3 Q9 V10 F378 V568 | Y3-A7 HydrophobicContact CE1-CB 4.46Å; Y3-A7 WeakPolarHBondContact O-CB 3.39Å; Y3-A7 PolarHBondContact O-N 3.27Å; A7-Q9 VanDerWaalsContact C-N 3.28Å; A7-Q9 PolarHBondContact O-N 3.47Å; A7-V10 PolarHBondContact O-N 3.2Å; A7-F378 HydrophobicContact CB-CD1 4.45Å; A7-F378 HydrophobicContact CB-CE1 4.49Å; A7-V568 HydrophobicContact CB-CG1 4.35Å; A7-V568 HydrophobicContact CB-CG2 4.09Å |
| 8 | A | 63.3 | Low | 73.1 | Confident | 69 Ų | 69 | 85.1 Ų | 85.1 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.4 | -22.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E4 S5 A6 | E4-A8 WeakPolarHBondContact O-CB 3.06Å; E4-A8 PolarHBondContact O-N 2.96Å; S5-A8 PolarHBondContact O-N 3.29Å; A6-A8 VanDerWaalsContact C-N 3.27Å; A6-A8 PolarHBondContact O-N 3.47Å |
| 9 | Q | 69 | Low | 74.2 | Confident | 127 Ų | 127 | 81.1 Ų | 81.1 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -76.3 | -28.4 | 172.9 | -65.2 | -62.2 | -33.5 | 0 | 0 | 112.3 | S5 A6 A7 K11 L575 | S5-Q9 WeakPolarHBondContact O-CG 3.33Å; S5-Q9 PolarHBondContact O-N 3.31Å; A6-Q9 WeakPolarHBondContact O-CB 3.36Å; A6-Q9 PolarHBondContact O-N 3.17Å; A6-Q9 VanDerWaalsContact O-N 3.13Å; A7-Q9 VanDerWaalsContact C-N 3.28Å; A7-Q9 PolarHBondContact O-N 3.47Å; Q9-K11 PolarHBondContact O-N 3.48Å; Q9-L575 HydrophobicContact CG-CD1 4.1Å |
| 10 | V | 77.3 | Confident | 75.3 | Confident | 15 Ų | 15 | 78.7 Ų | 78.7 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | trans | -76 | 97.9 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | A6 A7 F378 V470 I567 V568 E571 | A6-V10 PolarHBondContact O-N 3.29Å; A7-V10 PolarHBondContact O-N 3.2Å; V10-F378 HydrophobicContact CB-CD1 3.7Å; V10-F378 HydrophobicContact CB-CE1 3.59Å; V10-F378 HydrophobicContact CB-CG 4.4Å; V10-F378 HydrophobicContact CB-CZ 4.19Å; V10-F378 HydrophobicContact CG1-CD1 3.81Å; V10-F378 HydrophobicContact CG1-CD2 4.19Å; V10-F378 HydrophobicContact CG1-CE1 3.6Å; V10-F378 HydrophobicContact CG1-CE2 3.98Å; V10-F378 HydrophobicContact CG1-CG 4.11Å; V10-F378 HydrophobicContact CG1-CZ 3.68Å; V10-F378 HydrophobicContact CG2-CE1 4.07Å; V10-V470 HydrophobicContact CG1-CG1 3.91Å; V10-I567 HydrophobicContact CG1-CG2 4.15Å; V10-I567 HydrophobicContact CG2-CG2 3.96Å; V10-V568 HydrophobicContact CG2-CG2 4.46Å; V10-E571 HydrophobicContact CG2-CB 4.48Å; V10-E571 HydrophobicContact CG2-CG 3.94Å | ||
| 11 | K | 74.6 | Confident | 76.3 | Confident | 180 Ų | 180 | 77.8 Ų | 77.8 | 78% | 0.783 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 116.2 | 172.6 | -67.7 | -175.1 | -178.8 | 179.6 | 0 | 110 | Q9 T13 | Q9-K11 PolarHBondContact O-N 3.48Å; K11-T13 PolarHBondContact O-N 3.24Å |
| 12 | V | 82.7 | Confident | 78.8 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 130.3 | 167 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | D14 N375 F378 V470 | V12-D14 PolarHBondContact O-N 2.9Å; V12-N375 WeakPolarHBondContact CG1-OD1 3.28Å; V12-F378 HydrophobicContact CG2-CB 3.69Å; V12-F378 HydrophobicContact CG2-CD2 3.56Å; V12-F378 HydrophobicContact CG2-CG 4.01Å; V12-V470 WeakPolarHBondContact CA-O 3.13Å |
| 13 | T | 84.1 | Confident | 80.7 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 17% | 0.166 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 129.5 | -179.6 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | K11 S15 R16 V470 D471 | K11-T13 PolarHBondContact O-N 3.24Å; T13-S15 PolarHBondContact OG1-N 2.95Å; T13-S15 PolarHBondContact OG1-O 3.46Å; T13-S15 PolarHBondContact OG1-OG 3.36Å; T13-R16 HydrophobicContact CG2-CG 4Å; T13-R16 PolarHBondContact O-NH2 3.46Å; T13-V470 PolarHBondContact N-O 3.41Å; T13-D471 WeakPolarHBondContact CG2-O 3.4Å |
| 14 | D | 78.4 | Confident | 82.4 | Confident | 119 Ų | 119 | 68 Ų | 68 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -90.8 | -17 | 165.2 | -76.2 | -37.4 | 0 | 0 | 0 | 110.8 | V12 K382 | V12-D14 PolarHBondContact O-N 2.9Å; D14-K382 IonicContact OD1-NZ 3.16Å; D14-K382 IonicContact OD2-NZ 3.25Å |
| 15 | S | 84.9 | Confident | 84.1 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 69% | 0.692 | 38% | 0.377 | S | S | * | . | trans | -97.9 | 92.2 | -179.8 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | T13 | T13-S15 PolarHBondContact OG1-N 2.95Å; T13-S15 PolarHBondContact OG1-O 3.46Å; T13-S15 PolarHBondContact OG1-OG 3.36Å | ||
| 16 | R | 91.8 | Very high | 85.7 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | trans | -101.3 | 145.7 | 179.7 | -64.1 | 172.9 | -175.2 | -87.6 | -8.7 | 111.3 | T13 I395 Y399 H400 I468 A469 | T13-R16 HydrophobicContact CG2-CG 4Å; T13-R16 PolarHBondContact O-NH2 3.46Å; R16-I395 VanDerWaalsContact CD-CG2 3.45Å; R16-Y399 HydrophobicContact CB-CD1 4.09Å; R16-Y399 HydrophobicContact CB-CD2 3.92Å; R16-Y399 HydrophobicContact CB-CE2 4.38Å; R16-Y399 HydrophobicContact CB-CG 3.76Å; R16-H400 PolarHBondContact NH1-NE2 2.9Å; R16-I468 PolarHBondContact NH1-O 2.9Å; R16-A469 PolarHBondContact NH2-O 3.12Å | ||
| 17 | K | 92 | Very high | 87.3 | Confident | 176 Ų | 176 | 71.6 Ų | 71.6 | 77% | 0.765 | 38% | 0.383 | S | S | * | . | trans | -116.8 | 157.6 | 172.2 | -65.2 | -176.7 | -178.6 | 179.9 | 0 | 109.7 | T19 | K17-T19 PolarHBondContact O-N 3.38Š| ||
| 18 | C | 95.9 | Very high | 88.7 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 47% | 0.473 | 40% | 0.397 | S | S | . | . | trans | -61.7 | 126.5 | 174.1 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | V21 Y399 | C18-V21 HydrophobicContact CB-CG2 3.82Å; C18-Y399 CarbonylContact C-O 3.57Å; C18-Y399 WeakPolarHBondContact CA-O 3.29Å | ||
| 19 | T | 94.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 75.2 Ų | 75.2 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | trans | -106.6 | 142 | -175.6 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | K17 V21 Y399 H400 G402 S403 N474 | K17-T19 PolarHBondContact O-N 3.38Å; T19-V21 VanDerWaalsContact C-N 3.28Å; T19-V21 PolarHBondContact O-N 2.94Å; T19-Y399 PolarHBondContact N-O 3.47Å; T19-Y399 PolarHBondContact OG1-O 3.37Å; T19-Y399 VanDerWaalsContact OG1-O 3.11Å; T19-H400 WeakPolarHBondContact OG1-CA 3.29Å; T19-H400 PolarHBondContact OG1-ND1 3.13Å; T19-G402 VanDerWaalsContact O-CA 3.32Å; T19-G402 WeakPolarHBondContact O-CA 3.46Å; T19-S403 VanDerWaalsContact CB-OG 3.26Å; T19-S403 WeakPolarHBondContact CB-OG 3.46Å; T19-S403 PolarHBondContact OG1-OG 3.16Å; T19-N474 HydrophobicContact CG2-CB 4.11Å | ||
| 20 | N | 96.6 | Very high | 91.7 | Very high | 32 Ų | 32 | 69.9 Ų | 69.9 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | trans | 52.6 | 38.7 | 173.4 | -61 | 89.5 | 0 | 0 | 0 | 114.6 | P22 W23 S403 Y475 | N20-P22 VanDerWaalsContact C-N 3.34Å; N20-P22 VanDerWaalsContact O-N 3.17Å; N20-W23 WeakPolarHBondContact O-CB 3.4Å; N20-W23 PolarHBondContact O-N 2.87Å; N20-S403 PolarHBondContact OD1-OG 3.01Å; N20-Y475 PolarHBondContact OD1-N 2.86Å | ||
| 21 | V | 96.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 71.9 Ų | 71.9 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -49.1 | -38.8 | -176.3 | 179.7 | 0 | 0 | 0 | 0 | 115.2 | C18 T19 W23 C24 F25 | C18-V21 HydrophobicContact CB-CG2 3.82Å; T19-V21 VanDerWaalsContact C-N 3.28Å; T19-V21 PolarHBondContact O-N 2.94Å; V21-W23 PolarHBondContact O-N 3.18Å; V21-W23 VanDerWaalsContact O-N 3.15Å; V21-C24 VanDerWaalsContact O-CB 3.27Å; V21-C24 WeakPolarHBondContact O-CB 3.42Å; V21-C24 PolarHBondContact O-N 3.25Å; V21-F25 HydrophobicContact CG1-CD2 4.17Å; V21-F25 HydrophobicContact CG1-CE2 3.65Å; V21-F25 PolarHBondContact O-N 2.95Å |
| 22 | P | 97.5 | Very high | 93.5 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 60% | 0.597 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -54.5 | -35.1 | 177.5 | -29.4 | 37.3 | 0 | 0 | 0 | 114.1 | N20 C24 F25 V26 | N20-P22 VanDerWaalsContact C-N 3.34Å; N20-P22 VanDerWaalsContact O-N 3.17Å; P22-C24 VanDerWaalsContact C-N 3.3Å; P22-C24 PolarHBondContact O-N 3.11Å; P22-F25 WeakPolarHBondContact O-CB 3.4Å; P22-F25 PolarHBondContact O-N 3.16Å; P22-F25 VanDerWaalsContact O-N 3.16Å; P22-V26 PolarHBondContact O-N 3.14Å; P22-V26 VanDerWaalsContact O-N 3.16Å |
| 23 | W | 96.8 | Very high | 94 | Very high | 87 Ų | 87 | 68.8 Ų | 68.8 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -29.8 | 178.3 | -75.2 | 98.9 | 0 | 0 | 0 | 112.9 | N20 V21 F25 V26 Y27 W356 I405 F406 A409 | N20-W23 WeakPolarHBondContact O-CB 3.4Å; N20-W23 PolarHBondContact O-N 2.87Å; V21-W23 PolarHBondContact O-N 3.18Å; V21-W23 VanDerWaalsContact O-N 3.15Å; W23-F25 VanDerWaalsContact C-N 3.31Å; W23-F25 PolarHBondContact O-N 3.05Å; W23-V26 PolarHBondContact O-N 3.26Å; W23-Y27 VanDerWaalsContact O-CB 3.28Å; W23-Y27 WeakPolarHBondContact O-CB 3.37Å; W23-Y27 PolarHBondContact O-N 3.47Å; W23-W356 HydrophobicContact CE3-CH2 4.48Å; W23-W356 HydrophobicContact CE3-CZ2 4.06Å; W23-W356 HydrophobicContact CZ3-CZ2 4.23Å; W23-I405 HydrophobicContact CB-CB 4.43Å; W23-I405 HydrophobicContact CB-CG2 3.96Å; W23-F406 AromaticContact CD1-CD2 3.87Å; W23-F406 AromaticContact CD1-CG 3.97Å; W23-F406 HydrophobicContact CD2-CB 4.26Å; W23-F406 AromaticContact CD2-CD2 3.78Å; W23-F406 HydrophobicContact CD2-CD2 3.78Å; W23-F406 HydrophobicContact CD2-CG 4.41Å; W23-F406 AromaticContact CE2-CD2 3.14Å; W23-F406 AromaticContact CE2-CE2 3.62Å; W23-F406 HydrophobicContact CE3-CD2 4.48Å; W23-F406 HydrophobicContact CG-CB 3.97Å; W23-F406 HydrophobicContact CG-CD2 4.2Å; W23-F406 HydrophobicContact CG-CG 4.39Å; W23-F406 HydrophobicContact CH2-CD2 4.12Å; W23-F406 HydrophobicContact CH2-CE2 4.31Å; W23-F406 AromaticContact CZ2-CD2 3.36Å; W23-F406 HydrophobicContact CZ2-CD2 3.36Å; W23-F406 AromaticContact CZ2-CE2 3.43Å; W23-F406 HydrophobicContact CZ2-CE2 3.43Å; W23-F406 VanDerWaalsContact CZ2-CE2 3.43Å; W23-F406 AromaticContact NE1-CD2 3.19Å; W23-F406 AromaticContact NE1-CE2 3.64Å; W23-F406 AromaticContact NE1-CG 3.71Å; W23-A409 HydrophobicContact CE3-CB 4.3Å; W23-A409 HydrophobicContact CH2-CB 4.32Å; W23-A409 HydrophobicContact CZ3-CB 3.83Å |
| 24 | C | 97.2 | Very high | 94.4 | Very high | 44 Ų | 44 | 67.5 Ų | 67.5 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 172.1 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | V21 P22 G28 G402 | V21-C24 VanDerWaalsContact O-CB 3.27Å; V21-C24 WeakPolarHBondContact O-CB 3.42Å; V21-C24 PolarHBondContact O-N 3.25Å; P22-C24 VanDerWaalsContact C-N 3.3Å; P22-C24 PolarHBondContact O-N 3.11Å; C24-G28 PolarHBondContact O-N 3Å; C24-G402 WeakPolarHBondContact SG-CA 3.24Å; C24-G402 PolarHBondContact SG-N 3.28Å |
| 25 | F | 97.8 | Very high | 95.1 | Very high | 144 Ų | 144 | 68.2 Ų | 68.2 | 63% | 0.632 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.9 | -47.1 | 177.3 | -70.9 | -72.1 | 0 | 0 | 0 | 111.9 | V21 P22 W23 Y27 G28 I29 | V21-F25 HydrophobicContact CG1-CD2 4.17Å; V21-F25 HydrophobicContact CG1-CE2 3.65Å; V21-F25 PolarHBondContact O-N 2.95Å; P22-F25 WeakPolarHBondContact O-CB 3.4Å; P22-F25 PolarHBondContact O-N 3.16Å; P22-F25 VanDerWaalsContact O-N 3.16Å; W23-F25 VanDerWaalsContact C-N 3.31Å; W23-F25 PolarHBondContact O-N 3.05Å; F25-Y27 VanDerWaalsContact C-N 3.32Å; F25-Y27 PolarHBondContact O-N 3.47Å; F25-G28 PolarHBondContact O-N 3.03Å; F25-I29 VanDerWaalsContact O-CG1 3.31Å; F25-I29 WeakPolarHBondContact O-CG1 3.46Å; F25-I29 PolarHBondContact O-N 2.96Å |
| 26 | V | 97.7 | Very high | 95.4 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | P22 W23 I29 A30 W356 | P22-V26 PolarHBondContact O-N 3.14Å; P22-V26 VanDerWaalsContact O-N 3.16Å; W23-V26 PolarHBondContact O-N 3.26Å; V26-I29 PolarHBondContact O-N 3.09Å; V26-A30 PolarHBondContact O-N 3.3Å; V26-W356 HydrophobicContact CG1-CH2 3.98Å |
| 27 | Y | 97.7 | Very high | 95.2 | Very high | 33 Ų | 33 | 66.1 Ų | 66.1 | 13% | 0.129 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 178.3 | -168.8 | -110.7 | 0 | 0 | 0 | 112.1 | W23 F25 I29 A30 W31 L353 W356 T357 I405 | W23-Y27 VanDerWaalsContact O-CB 3.28Å; W23-Y27 WeakPolarHBondContact O-CB 3.37Å; W23-Y27 PolarHBondContact O-N 3.47Å; F25-Y27 VanDerWaalsContact C-N 3.32Å; F25-Y27 PolarHBondContact O-N 3.47Å; Y27-I29 PolarHBondContact O-N 2.93Å; Y27-A30 PolarHBondContact O-N 3.36Å; Y27-W31 AromaticContact CD1-CD1 3.71Å; Y27-W31 AromaticContact CE1-CD1 3.41Å; Y27-W31 VanDerWaalsContact CE1-CD1 3.41Å; Y27-W31 AromaticContact CE1-NE1 3.32Å; Y27-W31 VanDerWaalsContact CE1-NE1 3.32Å; Y27-W31 AromaticContact CE2-CD1 3.83Å; Y27-W31 AromaticContact CE2-NE1 3.48Å; Y27-W31 AromaticContact CZ-CD1 3.5Å; Y27-W31 VanDerWaalsContact CZ-CD1 3.5Å; Y27-W31 AromaticContact CZ-NE1 2.98Å; Y27-W31 PolarHBondContact O-N 2.76Å; Y27-W31 PolarHBondContact OH-NE1 2.95Å; Y27-L353 HydrophobicContact CE2-CD1 4.34Å; Y27-W356 AromaticContact CD2-CD2 3.8Å; Y27-W356 HydrophobicContact CD2-CD2 3.8Å; Y27-W356 AromaticContact CD2-CE2 3.65Å; Y27-W356 AromaticContact CD2-CE3 3.88Å; Y27-W356 HydrophobicContact CD2-CE3 3.88Å; Y27-W356 AromaticContact CD2-CH2 3.74Å; Y27-W356 HydrophobicContact CD2-CH2 3.74Å; Y27-W356 AromaticContact CD2-CZ2 3.65Å; Y27-W356 HydrophobicContact CD2-CZ2 3.65Å; Y27-W356 AromaticContact CD2-CZ3 3.85Å; Y27-W356 HydrophobicContact CD2-CZ3 3.85Å; Y27-W356 AromaticContact CE2-CD2 3.98Å; Y27-W356 HydrophobicContact CE2-CD2 3.98Å; Y27-W356 HydrophobicContact CE2-CE3 4.27Å; Y27-W356 HydrophobicContact CE2-CG 4.3Å; Y27-W356 HydrophobicContact CG-CH2 4.39Å; Y27-W356 HydrophobicContact CG-CZ2 4.36Å; Y27-T357 PolarHBondContact OH-OG1 2.86Å; Y27-I405 HydrophobicContact CD1-CD1 3.67Å; Y27-I405 HydrophobicContact CD1-CG1 4.08Å; Y27-I405 HydrophobicContact CD2-CG2 4.19Å; Y27-I405 HydrophobicContact CE1-CD1 4.43Å; Y27-I405 HydrophobicContact CG-CD1 3.91Å; Y27-I405 HydrophobicContact CG-CG1 4.18Å; Y27-I405 HydrophobicContact CG-CG2 4.02Å |
| 28 | G | 97.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C24 F25 W31 A32 | C24-G28 PolarHBondContact O-N 3Å; F25-G28 PolarHBondContact O-N 3.03Å; G28-W31 PolarHBondContact O-N 3.49Å; G28-A32 WeakPolarHBondContact O-CB 3.45Å; G28-A32 PolarHBondContact O-N 2.76Å |
| 29 | I | 97.8 | Very high | 94.6 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 61% | 0.605 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 175.3 | -68.1 | 165.5 | 0 | 0 | 0 | 110.6 | F25 V26 Y27 W31 A32 V33 | F25-I29 VanDerWaalsContact O-CG1 3.31Å; F25-I29 WeakPolarHBondContact O-CG1 3.46Å; F25-I29 PolarHBondContact O-N 2.96Å; V26-I29 PolarHBondContact O-N 3.09Å; Y27-I29 PolarHBondContact O-N 2.93Å; I29-W31 VanDerWaalsContact C-N 3.28Å; I29-W31 PolarHBondContact O-N 3.29Å; I29-A32 PolarHBondContact O-N 2.86Å; I29-V33 WeakPolarHBondContact O-CG2 3.17Å; I29-V33 PolarHBondContact O-N 2.69Å |
| 30 | A | 96.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V26 Y27 M34 F349 L353 W356 | V26-A30 PolarHBondContact O-N 3.3Å; Y27-A30 PolarHBondContact O-N 3.36Å; A30-M34 WeakPolarHBondContact O-CB 3.36Å; A30-M34 PolarHBondContact O-N 3.26Å; A30-F349 WeakPolarHBondContact O-CZ 3.33Å; A30-L353 HydrophobicContact CB-CD1 3.87Å; A30-W356 HydrophobicContact CB-CZ3 4.34Å |
| 31 | W | 95.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 59.7 Ų | 59.7 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 175.4 | -88.7 | 97.3 | 0 | 0 | 0 | 113.9 | Y27 G28 I29 M34 F35 M302 L305 F306 T357 | Y27-W31 AromaticContact CD1-CD1 3.71Å; Y27-W31 AromaticContact CE1-CD1 3.41Å; Y27-W31 VanDerWaalsContact CE1-CD1 3.41Å; Y27-W31 AromaticContact CE1-NE1 3.32Å; Y27-W31 VanDerWaalsContact CE1-NE1 3.32Å; Y27-W31 AromaticContact CE2-CD1 3.83Å; Y27-W31 AromaticContact CE2-NE1 3.48Å; Y27-W31 AromaticContact CZ-CD1 3.5Å; Y27-W31 VanDerWaalsContact CZ-CD1 3.5Å; Y27-W31 AromaticContact CZ-NE1 2.98Å; Y27-W31 PolarHBondContact O-N 2.76Å; Y27-W31 PolarHBondContact OH-NE1 2.95Å; G28-W31 PolarHBondContact O-N 3.49Å; I29-W31 VanDerWaalsContact C-N 3.28Å; I29-W31 PolarHBondContact O-N 3.29Å; W31-M34 HydrophobicContact CE3-CG 4.39Å; W31-M34 HydrophobicContact CZ3-CG 4.45Å; W31-M34 PolarHBondContact O-N 2.86Å; W31-F35 WeakPolarHBondContact O-CB 3.49Å; W31-F35 PolarHBondContact O-N 3.39Å; W31-M302 HydrophobicContact CH2-SD 3.55Å; W31-M302 VanDerWaalsContact CH2-SD 3.55Å; W31-M302 HydrophobicContact CZ2-SD 4.32Å; W31-M302 HydrophobicContact CZ3-SD 4.39Å; W31-L305 HydrophobicContact CH2-CD2 4.5Å; W31-L305 HydrophobicContact CZ3-CD2 4.15Å; W31-F306 AromaticContact CH2-CE2 3.59Å; W31-F306 HydrophobicContact CH2-CE2 3.59Å; W31-F306 HydrophobicContact CH2-CZ 4.07Å; W31-F306 HydrophobicContact CZ2-CE2 4.09Å; W31-F306 HydrophobicContact CZ2-CZ 4.26Å; W31-F306 HydrophobicContact CZ3-CE2 4.31Å; W31-T357 HydrophobicContact CZ2-CG2 3.79Å; W31-T357 WeakPolarHBondContact CZ2-OG1 3.44Å |
| 32 | A | 95.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 51% | 0.512 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G28 I29 F35 A36 | G28-A32 WeakPolarHBondContact O-CB 3.45Å; G28-A32 PolarHBondContact O-N 2.76Å; I29-A32 PolarHBondContact O-N 2.86Å; A32-F35 PolarHBondContact O-N 3.47Å; A32-A36 PolarHBondContact O-N 3.33Å |
| 33 | V | 92.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I29 F35 A36 F37 F349 | I29-V33 WeakPolarHBondContact O-CG2 3.17Å; I29-V33 PolarHBondContact O-N 2.69Å; V33-F35 PolarHBondContact O-N 3.09Å; V33-A36 PolarHBondContact O-N 3.34Å; V33-F37 HydrophobicContact CG1-CD2 3.92Å; V33-F37 HydrophobicContact CG1-CE2 3.4Å; V33-F37 VanDerWaalsContact CG1-CE2 3.4Å; V33-F37 HydrophobicContact CG1-CZ 4Å; V33-F37 WeakPolarHBondContact O-CD2 3.49Å; V33-F37 WeakPolarHBondContact O-CG 3.45Å; V33-F37 PolarHBondContact O-N 3.23Å; V33-F349 HydrophobicContact CB-CZ 4.08Å; V33-F349 HydrophobicContact CG1-CE1 4.16Å; V33-F349 HydrophobicContact CG1-CE2 4.28Å; V33-F349 HydrophobicContact CG1-CZ 3.76Å |
| 34 | M | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.9 | -179.7 | 65.5 | -175.6 | 0 | 0 | 112.2 | A30 W31 F37 I38 F306 F349 Y350 L353 | A30-M34 WeakPolarHBondContact O-CB 3.36Å; A30-M34 PolarHBondContact O-N 3.26Å; W31-M34 HydrophobicContact CE3-CG 4.39Å; W31-M34 HydrophobicContact CZ3-CG 4.45Å; W31-M34 PolarHBondContact O-N 2.86Å; M34-F37 WeakPolarHBondContact O-CB 3.5Å; M34-F37 PolarHBondContact O-N 2.77Å; M34-I38 HydrophobicContact CE-CD1 3.85Å; M34-I38 HydrophobicContact CE-CG1 4Å; M34-I38 HydrophobicContact CG-CD1 4.01Å; M34-I38 WeakPolarHBondContact O-CG1 3.33Å; M34-I38 PolarHBondContact O-N 3.14Å; M34-F306 HydrophobicContact CE-CB 4.47Å; M34-F306 HydrophobicContact CE-CD1 3.5Å; M34-F306 HydrophobicContact CE-CD2 4.06Å; M34-F306 HydrophobicContact CE-CE1 3.59Å; M34-F306 HydrophobicContact CE-CE2 4.17Å; M34-F306 HydrophobicContact CE-CG 3.75Å; M34-F306 HydrophobicContact CE-CZ 3.94Å; M34-F306 HydrophobicContact CG-CZ 4.43Å; M34-F306 HydrophobicContact SD-CD1 4.37Å; M34-F306 HydrophobicContact SD-CE1 3.99Å; M34-F306 HydrophobicContact SD-CZ 4.4Å; M34-F349 HydrophobicContact CB-CE1 4.16Å; M34-F349 HydrophobicContact CB-CZ 4.3Å; M34-F349 HydrophobicContact SD-CE1 4.24Å; M34-Y350 HydrophobicContact CE-CD1 3.67Å; M34-Y350 HydrophobicContact CE-CE1 3.39Å; M34-Y350 HydrophobicContact SD-CD1 3.66Å; M34-Y350 HydrophobicContact SD-CE1 3.43Å; M34-Y350 WeakPolarHBondContact SD-CE1 3.18Å; M34-L353 HydrophobicContact CB-CD2 3.56Å; M34-L353 HydrophobicContact CG-CD2 3.86Å; M34-L353 HydrophobicContact SD-CD2 4.36Å |
| 35 | F | 92 | Very high | 90.9 | Very high | 134 Ų | 134 | 66.3 Ų | 66.3 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 178.8 | -170.6 | -97.8 | 0 | 0 | 0 | 111.9 | W31 A32 V33 F37 I38 V39 | W31-F35 WeakPolarHBondContact O-CB 3.49Å; W31-F35 PolarHBondContact O-N 3.39Å; A32-F35 PolarHBondContact O-N 3.47Å; V33-F35 PolarHBondContact O-N 3.09Å; F35-F37 VanDerWaalsContact C-N 3.28Å; F35-F37 PolarHBondContact O-N 3.18Å; F35-I38 PolarHBondContact O-N 3.15Å; F35-V39 HydrophobicContact CD1-CG2 3.97Å; F35-V39 HydrophobicContact CE1-CG2 3.59Å; F35-V39 HydrophobicContact CZ-CG2 3.93Å; F35-V39 WeakPolarHBondContact O-CG2 3.2Å; F35-V39 PolarHBondContact O-N 3.34Å |
| 36 | A | 91.3 | Very high | 89.8 | Confident | 57 Ų | 57 | 61 Ų | 61 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A32 V33 W40 | A32-A36 PolarHBondContact O-N 3.33Å; V33-A36 PolarHBondContact O-N 3.34Å; A36-W40 WeakPolarHBondContact O-CB 3.47Å; A36-W40 PolarHBondContact O-N 2.95Å |
| 37 | F | 87.7 | Confident | 88.6 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.2 | -68.5 | -38.4 | 0 | 0 | 0 | 113.1 | V33 M34 F35 W40 A41 F336 I341 L346 F349 | V33-F37 HydrophobicContact CG1-CD2 3.92Å; V33-F37 HydrophobicContact CG1-CE2 3.4Å; V33-F37 VanDerWaalsContact CG1-CE2 3.4Å; V33-F37 HydrophobicContact CG1-CZ 4Å; V33-F37 WeakPolarHBondContact O-CD2 3.49Å; V33-F37 WeakPolarHBondContact O-CG 3.45Å; V33-F37 PolarHBondContact O-N 3.23Å; M34-F37 WeakPolarHBondContact O-CB 3.5Å; M34-F37 PolarHBondContact O-N 2.77Å; F35-F37 VanDerWaalsContact C-N 3.28Å; F35-F37 PolarHBondContact O-N 3.18Å; F37-W40 PolarHBondContact O-N 3.17Å; F37-A41 WeakPolarHBondContact O-CB 3.23Å; F37-A41 PolarHBondContact O-N 3.49Å; F37-F336 HydrophobicContact CB-CE1 4.38Å; F37-F336 AromaticContact CD1-CD1 3.56Å; F37-F336 HydrophobicContact CD1-CD1 3.56Å; F37-F336 HydrophobicContact CD1-CD2 4.48Å; F37-F336 AromaticContact CD1-CE1 3.24Å; F37-F336 HydrophobicContact CD1-CE1 3.24Å; F37-F336 HydrophobicContact CD1-CE2 4.2Å; F37-F336 HydrophobicContact CD1-CG 4.18Å; F37-F336 AromaticContact CD1-CZ 3.59Å; F37-F336 HydrophobicContact CD1-CZ 3.59Å; F37-F336 AromaticContact CE1-CD1 3.83Å; F37-F336 HydrophobicContact CE1-CD1 3.83Å; F37-F336 HydrophobicContact CE1-CD2 4.1Å; F37-F336 AromaticContact CE1-CE1 3.83Å; F37-F336 HydrophobicContact CE1-CE1 3.83Å; F37-F336 HydrophobicContact CE1-CE2 4.08Å; F37-F336 AromaticContact CE1-CG 3.97Å; F37-F336 HydrophobicContact CE1-CG 3.97Å; F37-F336 AromaticContact CE1-CZ 3.94Å; F37-F336 HydrophobicContact CE1-CZ 3.94Å; F37-F336 HydrophobicContact CG-CE1 4.18Å; F37-F336 HydrophobicContact CG-CZ 4.39Å; F37-I341 HydrophobicContact CE1-CD1 3.85Å; F37-I341 HydrophobicContact CZ-CD1 3.93Å; F37-L346 HydrophobicContact CD2-CD2 4.36Å; F37-L346 HydrophobicContact CE1-CD2 3.91Å; F37-L346 HydrophobicContact CE2-CD2 3.76Å; F37-L346 HydrophobicContact CZ-CD2 3.5Å; F37-L346 VanDerWaalsContact CZ-CD2 3.5Å; F37-F349 HydrophobicContact CD2-CD1 4.22Å; F37-F349 AromaticContact CD2-CE1 3.92Å; F37-F349 HydrophobicContact CD2-CE1 3.92Å; F37-F349 HydrophobicContact CE2-CD1 4.07Å; F37-F349 AromaticContact CE2-CE1 3.99Å; F37-F349 HydrophobicContact CE2-CE1 3.99Å |
| 38 | I | 87.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.1 | -69.8 | 162 | 0 | 0 | 0 | 110.6 | M34 F35 A41 F42 L305 S309 | M34-I38 HydrophobicContact CE-CD1 3.85Å; M34-I38 HydrophobicContact CE-CG1 4Å; M34-I38 HydrophobicContact CG-CD1 4.01Å; M34-I38 WeakPolarHBondContact O-CG1 3.33Å; M34-I38 PolarHBondContact O-N 3.14Å; F35-I38 PolarHBondContact O-N 3.15Å; I38-A41 PolarHBondContact O-N 2.96Å; I38-F42 WeakPolarHBondContact O-CB 3.41Å; I38-F42 PolarHBondContact O-N 3.04Å; I38-L305 HydrophobicContact CD1-CD1 4.15Å; I38-L305 HydrophobicContact CD1-CD2 3.68Å; I38-L305 HydrophobicContact CD1-CG 3.83Å; I38-S309 VanDerWaalsContact CG1-OG 3.31Å; I38-S309 WeakPolarHBondContact CG1-OG 3.31Å |
| 39 | V | 89.8 | Confident | 86 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | F35 A41 F42 L43 | F35-V39 HydrophobicContact CD1-CG2 3.97Å; F35-V39 HydrophobicContact CE1-CG2 3.59Å; F35-V39 HydrophobicContact CZ-CG2 3.93Å; F35-V39 WeakPolarHBondContact O-CG2 3.2Å; F35-V39 PolarHBondContact O-N 3.34Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.4Å; V39-F42 PolarHBondContact O-N 2.98Å; V39-L43 HydrophobicContact CG1-CD1 3.84Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.18Å; V39-L43 VanDerWaalsContact O-CG 3.26Å; V39-L43 WeakPolarHBondContact O-CG 3.45Å; V39-L43 PolarHBondContact O-N 2.88Å |
| 40 | W | 87.6 | Confident | 84.5 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.3 | -175.1 | -93.9 | 0 | 0 | 0 | 112.3 | A36 F37 F42 L43 K44 K335 F336 | A36-W40 WeakPolarHBondContact O-CB 3.47Å; A36-W40 PolarHBondContact O-N 2.95Å; F37-W40 PolarHBondContact O-N 3.17Å; W40-F42 VanDerWaalsContact C-N 3.32Å; W40-F42 PolarHBondContact O-N 3.27Å; W40-L43 PolarHBondContact O-N 3.34Å; W40-K44 HydrophobicContact CD2-CG 4.29Å; W40-K44 HydrophobicContact CZ2-CG 4.08Å; W40-K44 WeakPolarHBondContact O-CB 3.37Å; W40-K44 PolarHBondContact O-N 3.39Å; W40-K335 PolarHBondContact NE1-O 3.37Å; W40-F336 HydrophobicContact CB-CD1 3.89Å; W40-F336 HydrophobicContact CB-CE1 3.9Å; W40-F336 AromaticContact CD1-CD1 3.18Å; W40-F336 AromaticContact CD1-CE1 3.18Å; W40-F336 HydrophobicContact CD2-CD1 4.07Å; W40-F336 AromaticContact CG-CD1 3.43Å; W40-F336 HydrophobicContact CG-CD1 3.43Å; W40-F336 VanDerWaalsContact CG-CD1 3.43Å; W40-F336 AromaticContact CG-CE1 3.68Å; W40-F336 HydrophobicContact CG-CE1 3.68Å; W40-F336 AromaticContact NE1-CD1 3.62Å; W40-F336 AromaticContact NE1-CE1 3.95Å |
| 41 | A | 83 | Confident | 83.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F37 I38 V39 G45 | F37-A41 WeakPolarHBondContact O-CB 3.23Å; F37-A41 PolarHBondContact O-N 3.49Å; I38-A41 PolarHBondContact O-N 2.96Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.4Å; A41-G45 VanDerWaalsContact O-CA 3.25Å; A41-G45 WeakPolarHBondContact O-CA 3.48Å; A41-G45 PolarHBondContact O-N 2.97Å |
| 42 | F | 83.3 | Confident | 82.3 | Confident | 145 Ų | 145 | 69.4 Ų | 69.4 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.3 | -40.3 | 175.1 | -171.4 | -91 | 0 | 0 | 0 | 112.3 | I38 V39 W40 F308 | I38-F42 WeakPolarHBondContact O-CB 3.41Å; I38-F42 PolarHBondContact O-N 3.04Å; V39-F42 PolarHBondContact O-N 2.98Å; W40-F42 VanDerWaalsContact C-N 3.32Å; W40-F42 PolarHBondContact O-N 3.27Å; F42-F308 HydrophobicContact CB-CE1 4.39Å; F42-F308 AromaticContact CD2-CE1 3.81Å; F42-F308 HydrophobicContact CD2-CE1 3.81Å; F42-F308 AromaticContact CD2-CZ 3.71Å; F42-F308 HydrophobicContact CD2-CZ 3.71Å; F42-F308 HydrophobicContact CE2-CZ 4.35Å |
| 43 | L | 86.5 | Confident | 81.3 | Confident | 122 Ų | 122 | 66.5 Ų | 66.5 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -75.3 | -31.8 | -178.1 | -68.8 | 173.8 | 0 | 0 | 0 | 113.8 | V39 W40 | V39-L43 HydrophobicContact CG1-CD1 3.84Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.18Å; V39-L43 VanDerWaalsContact O-CG 3.26Å; V39-L43 WeakPolarHBondContact O-CG 3.45Å; V39-L43 PolarHBondContact O-N 2.88Å; W40-L43 PolarHBondContact O-N 3.34Å |
| 44 | K | 82.9 | Confident | 80.6 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -112.1 | -18.3 | -173.5 | -63.2 | -61.8 | -175.3 | -177.6 | 0 | 114.4 | W40 I316 | W40-K44 HydrophobicContact CD2-CG 4.29Å; W40-K44 HydrophobicContact CZ2-CG 4.08Å; W40-K44 WeakPolarHBondContact O-CB 3.37Å; W40-K44 PolarHBondContact O-N 3.39Å; K44-I316 HydrophobicContact CB-CD1 3.75Å; K44-I316 HydrophobicContact CB-CG1 4Å |
| 45 | G | 76.8 | Confident | 80.3 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | trans | -69.5 | 141.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A41 | A41-G45 VanDerWaalsContact O-CA 3.25Å; A41-G45 WeakPolarHBondContact O-CA 3.48Å; A41-G45 PolarHBondContact O-N 2.97Å | ||
| 46 | D | 73.6 | Confident | 79.9 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | trans | -118.3 | 100.5 | 171.8 | -166.5 | -23.8 | 0 | 0 | 0 | 109.5 | K48 R49 K65 T315 | D46-K48 PolarHBondContact O-N 3.16Å; D46-K48 VanDerWaalsContact OD1-CB 3.28Å; D46-K48 WeakPolarHBondContact OD1-CB 3.4Å; D46-K48 PolarHBondContact OD1-N 3.45Å; D46-R49 HydrophobicContact CB-CG 4.47Å; D46-R49 WeakPolarHBondContact O-CB 3.21Å; D46-R49 PolarHBondContact O-N 2.93Å; D46-K65 IonicContact OD2-NZ 2.66Å; D46-K65 PolarHBondContact OD2-NZ 3.49Å; D46-T315 PolarHBondContact N-OG1 3.31Å; D46-T315 WeakPolarHBondContact O-CB 3.24Å; D46-T315 WeakPolarHBondContact O-CG2 3.49Å | ||
| 47 | Y | 73.2 | Confident | 79.4 | Confident | 153 Ų | 153 | 60.4 Ų | 60.4 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.9 | -178.6 | 78.1 | -90.6 | 0 | 0 | 0 | 112.6 | R49 L50 H51 | Y47-R49 PolarHBondContact O-N 2.71Å; Y47-L50 PolarHBondContact O-N 3.39Å; Y47-H51 PolarHBondContact O-N 2.9Å |
| 48 | K | 71.2 | Confident | 78.8 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 43% | 0.426 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -28.3 | -179.8 | -65 | -175.7 | 174.9 | -175.7 | 0 | 111.5 | D46 L50 H51 S52 | D46-K48 PolarHBondContact O-N 3.16Å; D46-K48 VanDerWaalsContact OD1-CB 3.28Å; D46-K48 WeakPolarHBondContact OD1-CB 3.4Å; D46-K48 PolarHBondContact OD1-N 3.45Å; K48-L50 PolarHBondContact O-N 2.9Å; K48-H51 PolarHBondContact O-N 3.29Å; K48-S52 WeakPolarHBondContact O-CB 3.34Å; K48-S52 PolarHBondContact O-N 3.39Å |
| 49 | R | 69.8 | Low | 78.6 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -31.5 | 173.9 | -73.8 | 176.8 | 152.8 | -109.7 | -1.3 | 113.3 | D46 Y47 V60 L318 A319 | D46-R49 HydrophobicContact CB-CG 4.47Å; D46-R49 WeakPolarHBondContact O-CB 3.21Å; D46-R49 PolarHBondContact O-N 2.93Å; Y47-R49 PolarHBondContact O-N 2.71Å; R49-V60 HydrophobicContact CG-CG2 3.66Å; R49-L318 PolarHBondContact NH1-O 3.22Å; R49-A319 VanDerWaalsContact NH1-N 3.17Å |
| 50 | L | 67 | Low | 78.3 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 53% | 0.534 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -85 | -40.3 | 176.9 | -171.3 | 65 | 0 | 0 | 0 | 111.9 | Y47 K48 V311 T315 | Y47-L50 PolarHBondContact O-N 3.39Å; K48-L50 PolarHBondContact O-N 2.9Å; L50-V311 HydrophobicContact CD2-CG1 3.49Å; L50-V311 VanDerWaalsContact CD2-CG1 3.49Å; L50-V311 HydrophobicContact CD2-CG2 4.37Å; L50-T315 HydrophobicContact CB-CG2 4.48Å |
| 51 | H | 71.4 | Confident | 78.2 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -75.5 | -47.2 | -177 | 179.9 | 74.1 | 0 | 0 | 0 | 113.7 | Y47 K48 N158 | Y47-H51 PolarHBondContact O-N 2.9Å; K48-H51 PolarHBondContact O-N 3.29Å; H51-N158 PolarHBondContact CD2-ND2 3.45Å; H51-N158 PolarHBondContact NE2-ND2 2.82Å; H51-N158 PolarHBondContact O-ND2 3.04Å |
| 52 | S | 73.8 | Confident | 78.4 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -17 | -177.1 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | K48 C61 | K48-S52 WeakPolarHBondContact O-CB 3.34Å; K48-S52 PolarHBondContact O-N 3.39Å; S52-C61 WeakPolarHBondContact CB-O 3.28Å |
| 53 | G | 73.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | 75.7 | 155.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C61 | G53-C61 PolarHBondContact O-N 2.95Å; G53-C61 VanDerWaalsContact O-N 3.08Å | ||
| 54 | A | 78.4 | Confident | 77.5 | Confident | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -124.6 | 138.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N59 M80 P324 | A54-N59 CarbonylContact C-O 3.55Å; A54-N59 WeakPolarHBondContact CA-O 3.45Å; A54-M80 VanDerWaalsContact C-SD 3.53Å; A54-M80 PolarHBondContact N-SD 3.11Å; A54-M80 VanDerWaalsContact N-SD 3.41Å; A54-P324 HydrophobicContact CB-CG 4.27Å |
| 55 | D | 85.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -66.2 | 169.3 | 174.2 | 74.7 | 6.1 | 0 | 0 | 0 | 111.6 | R57 G58 N59 W93 Y124 P324 | D55-R57 PolarHBondContact O-N 3.23Å; D55-R57 WeakPolarHBondContact OD1-CA 3.34Å; D55-R57 WeakPolarHBondContact OD1-CB 3.24Å; D55-R57 PolarHBondContact OD1-N 3.08Å; D55-G58 PolarHBondContact O-N 3.32Å; D55-G58 VanDerWaalsContact O-N 3.14Å; D55-G58 PolarHBondContact OD1-N 3.48Å; D55-N59 PolarHBondContact N-O 3.34Å; D55-N59 PolarHBondContact OD1-N 3.36Å; D55-N59 PolarHBondContact OD1-ND2 3.24Å; D55-N59 PolarHBondContact OD2-ND2 3.18Å; D55-W93 WeakPolarHBondContact CB-O 3.27Å; D55-Y124 VanDerWaalsContact OD2-CE2 3.26Å; D55-Y124 WeakPolarHBondContact OD2-CE2 3.28Å; D55-Y124 PolarHBondContact OD2-OH 3.04Å; D55-P324 VanDerWaalsContact O-CG 3.26Å; D55-P324 WeakPolarHBondContact O-CG 3.39Å | ||
| 56 | D | 83.7 | Confident | 75.6 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -2.1 | 179.8 | -94.9 | -28.2 | 0 | 0 | 0 | 113.8 | L92 W93 R325 | D56-L92 HydrophobicContact CB-CD1 3.63Å; D56-L92 VanDerWaalsContact OD2-CA 3.32Å; D56-L92 WeakPolarHBondContact OD2-CA 3.44Å; D56-W93 PolarHBondContact N-O 3.37Å; D56-W93 VanDerWaalsContact N-O 3.14Å; D56-W93 PolarHBondContact OD2-N 3.22Å; D56-R325 IonicContact OD1-CZ 3.53Å; D56-R325 IonicContact OD1-NE 3.14Å; D56-R325 PolarHBondContact OD1-NE 3.34Å; D56-R325 IonicContact OD1-NH2 3.29Å; D56-R325 PolarHBondContact OD1-NH2 3.12Å; D56-R325 IonicContact OD2-CZ 3.85Å; D56-R325 IonicContact OD2-NE 3.61Å; D56-R325 IonicContact OD2-NH2 3.72Å; D56-R325 PolarHBondContact OD2-NH2 3Å |
| 57 | R | 80.9 | Confident | 74.8 | Confident | 82 Ų | 82 | 50.6 Ų | 50.6 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -4.7 | 178.7 | -63.1 | 169.8 | 174.1 | 156.5 | -1.6 | 113.5 | D55 D123 | D55-R57 PolarHBondContact O-N 3.23Å; D55-R57 WeakPolarHBondContact OD1-CA 3.34Å; D55-R57 WeakPolarHBondContact OD1-CB 3.24Å; D55-R57 PolarHBondContact OD1-N 3.08Å; R57-D123 IonicContact CZ-OD1 2.7Å; R57-D123 IonicContact CZ-OD2 2.7Å; R57-D123 IonicContact NH1-OD1 3.43Å; R57-D123 PolarHBondContact NH1-OD1 2.67Å; R57-D123 IonicContact NH1-OD2 3.68Å; R57-D123 IonicContact NH2-OD1 3.65Å; R57-D123 PolarHBondContact NH2-OD1 3.49Å; R57-D123 IonicContact NH2-OD2 2.68Å; R57-D123 PolarHBondContact NH2-OD2 3.45Å |
| 58 | G | 76.3 | Confident | 73.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 97.6 | -2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D55 | D55-G58 PolarHBondContact O-N 3.32Å; D55-G58 VanDerWaalsContact O-N 3.14Å; D55-G58 PolarHBondContact OD1-N 3.48Å |
| 59 | N | 83.3 | Confident | 73 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 132.5 | 179.3 | -50.9 | -55.4 | 0 | 0 | 0 | 109.8 | A54 D55 F74 | A54-N59 CarbonylContact C-O 3.55Å; A54-N59 WeakPolarHBondContact CA-O 3.45Å; D55-N59 PolarHBondContact N-O 3.34Å; D55-N59 PolarHBondContact OD1-N 3.36Å; D55-N59 PolarHBondContact OD1-ND2 3.24Å; D55-N59 PolarHBondContact OD2-ND2 3.18Å; N59-F74 HydrophobicContact CB-CD1 4.33Å; N59-F74 HydrophobicContact CB-CD2 3.8Å; N59-F74 HydrophobicContact CB-CE1 4.12Å; N59-F74 HydrophobicContact CB-CE2 3.57Å; N59-F74 HydrophobicContact CB-CG 4.21Å; N59-F74 HydrophobicContact CB-CZ 3.75Å; N59-F74 WeakPolarHBondContact ND2-CZ 3.18Å |
| 60 | V | 82.5 | Confident | 72.3 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 121.7 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | R49 G62 S63 | R49-V60 HydrophobicContact CG-CG2 3.66Å; V60-G62 PolarHBondContact O-N 2.89Å; V60-S63 PolarHBondContact O-N 3.36Å |
| 61 | C | 86.7 | Confident | 72 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 134.2 | 179.7 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | S52 G53 S63 K77 M80 C95 | S52-C61 WeakPolarHBondContact CB-O 3.28Å; G53-C61 PolarHBondContact O-N 2.95Å; G53-C61 VanDerWaalsContact O-N 3.08Å; C61-S63 PolarHBondContact O-N 3.23Å; C61-K77 CarbonylContact C-O 3.33Å; C61-K77 VanDerWaalsContact CA-O 3.28Å; C61-K77 WeakPolarHBondContact CA-O 3.35Å; C61-K77 WeakPolarHBondContact CB-O 3.49Å; C61-M80 WeakPolarHBondContact SG-CG 3.11Å; C61-C95 WeakPolarHBondContact CA-SG 3.42Å; C61-C95 HydrophobicContact CB-CB 3.81Å; C61-C95 WeakPolarHBondContact CB-SG 3.14Å; C61-C95 VanDerWaalsContact SG-CA 3.54Å; C61-C95 WeakPolarHBondContact SG-CB 3.22Å; C61-C95 CovalentContact SG-SG 2.04Å; C61-C95 PolarHBondContact SG-SG 3.48Å |
| 62 | G | 86.6 | Confident | 71.8 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 19.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | V60 F74 E75 K77 | V60-G62 PolarHBondContact O-N 2.89Å; G62-F74 WeakPolarHBondContact CA-O 3.36Å; G62-F74 PolarHBondContact N-O 2.89Å; G62-E75 WeakPolarHBondContact CA-O 3.23Å; G62-K77 PolarHBondContact N-O 3Å |
| 63 | S | 80.4 | Confident | 72 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | trans | -131.6 | 147.6 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | V60 C61 K65 F74 | V60-S63 PolarHBondContact O-N 3.36Å; C61-S63 PolarHBondContact O-N 3.23Å; S63-K65 VanDerWaalsContact C-N 3.29Å; S63-K65 PolarHBondContact O-N 3.45Å; S63-K65 PolarHBondContact OG-N 3.25Å; S63-F74 WeakPolarHBondContact O-CB 3.45Å | ||
| 64 | D | 71.1 | Confident | 72.4 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -77.5 | -11 | 174.3 | -59 | -33.3 | 0 | 0 | 0 | 114.4 | M66 E75 | D64-M66 PolarHBondContact O-N 3.23Å; D64-E75 WeakPolarHBondContact OD1-CB 3.39Å |
| 65 | K | 62.9 | Low | 72.6 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | trans | -73.3 | 100 | -178.5 | -75.1 | -173.2 | -177.6 | 174.8 | 0 | 110.4 | D46 S63 | D46-K65 IonicContact OD2-NZ 2.66Å; D46-K65 PolarHBondContact OD2-NZ 3.49Å; S63-K65 VanDerWaalsContact C-N 3.29Å; S63-K65 PolarHBondContact O-N 3.45Å; S63-K65 PolarHBondContact OG-N 3.25Å | ||
| 66 | M | 56.4 | Low | 72.7 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | trans | -80.2 | 130.7 | 172.3 | -56.6 | -60.2 | 161.7 | 0 | 0 | 110.7 | D64 N68 A70 E72 F74 | D64-M66 PolarHBondContact O-N 3.23Å; M66-N68 WeakPolarHBondContact CB-O 3.39Å; M66-A70 HydrophobicContact SD-CB 3.88Å; M66-E72 WeakPolarHBondContact CE-O 3.47Å; M66-F74 HydrophobicContact CE-CD2 3.59Å; M66-F74 HydrophobicContact CE-CE2 4.27Å; M66-F74 HydrophobicContact SD-CD2 3.45Å; M66-F74 WeakPolarHBondContact SD-CD2 3.24Å; M66-F74 HydrophobicContact SD-CE2 3.7Å | ||
| 67 | L | 55.9 | Low | 73 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -77.7 | -35.4 | 171.9 | -173.2 | 69 | 0 | 0 | 0 | 111.6 | ||
| 68 | N | 53.6 | Low | 73.5 | Confident | 103 Ų | 103 | 65.7 Ų | 65.7 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -122.7 | 145.9 | 175.3 | -57.8 | -42.4 | 0 | 0 | 0 | 106.5 | M66 A70 | M66-N68 WeakPolarHBondContact CB-O 3.39Å; N68-A70 PolarHBondContact O-N 2.84Å |
| 69 | N | 52.7 | Low | 74.2 | Confident | 175 Ų | 175 | 68.7 Ų | 68.7 | 94% | 0.936 | 37% | 0.367 | S | S | * | . | trans | -52.3 | 67 | 177.1 | -72 | -11.6 | 0 | 0 | 0 | 113.7 | ||||
| 70 | A | 54.9 | Low | 74.5 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | trans | -79.5 | 131.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | M66 N68 E72 F74 | M66-A70 HydrophobicContact SD-CB 3.88Å; N68-A70 PolarHBondContact O-N 2.84Å; A70-E72 VanDerWaalsContact C-N 3.25Å; A70-E72 PolarHBondContact O-N 3.38Å; A70-F74 HydrophobicContact CB-CE2 4.34Å | ||
| 71 | T | 60.9 | Low | 75 | Confident | 148 Ų | 148 | 68.3 Ų | 68.3 | 91% | 0.908 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -75.2 | -15.1 | 178.7 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 72 | E | 67 | Low | 75.3 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -98.4 | 134.2 | 179.5 | -67.5 | -165 | 160.8 | 0 | 0 | 111.4 | M66 A70 K77 K120 | M66-E72 WeakPolarHBondContact CE-O 3.47Å; A70-E72 VanDerWaalsContact C-N 3.25Å; A70-E72 PolarHBondContact O-N 3.38Å; E72-K77 IonicContact OE2-NZ 3.46Å; E72-K77 PolarHBondContact OE2-NZ 2.9Å; E72-K120 IonicContact OE1-NZ 2.8Å; E72-K120 PolarHBondContact OE1-NZ 2.86Å |
| 73 | T | 78.1 | Confident | 75.5 | Confident | 92 Ų | 92 | 67 Ų | 67 | 56% | 0.564 | 35% | 0.35 | S | S | * | . | trans | -76.3 | 139.4 | 172.7 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 74 | F | 82.5 | Confident | 75.9 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | trans | -101.2 | -0.4 | 177.4 | -71.8 | -79.5 | 0 | 0 | 0 | 113.4 | N59 G62 S63 M66 A70 N76 K77 C95 Y124 | N59-F74 HydrophobicContact CB-CD1 4.33Å; N59-F74 HydrophobicContact CB-CD2 3.8Å; N59-F74 HydrophobicContact CB-CE1 4.12Å; N59-F74 HydrophobicContact CB-CE2 3.57Å; N59-F74 HydrophobicContact CB-CG 4.21Å; N59-F74 HydrophobicContact CB-CZ 3.75Å; N59-F74 WeakPolarHBondContact ND2-CZ 3.18Å; G62-F74 WeakPolarHBondContact CA-O 3.36Å; G62-F74 PolarHBondContact N-O 2.89Å; S63-F74 WeakPolarHBondContact O-CB 3.45Å; M66-F74 HydrophobicContact CE-CD2 3.59Å; M66-F74 HydrophobicContact CE-CE2 4.27Å; M66-F74 HydrophobicContact SD-CD2 3.45Å; M66-F74 WeakPolarHBondContact SD-CD2 3.24Å; M66-F74 HydrophobicContact SD-CE2 3.7Å; A70-F74 HydrophobicContact CB-CE2 4.34Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 3.21Å; F74-K77 HydrophobicContact CD1-CB 4.3Å; F74-K77 HydrophobicContact CD1-CD 3.73Å; F74-K77 HydrophobicContact CE1-CD 4.05Å; F74-K77 PolarHBondContact O-N 3.45Å; F74-C95 HydrophobicContact CD1-CB 3.86Å; F74-C95 HydrophobicContact CE1-CB 4.24Å; F74-Y124 HydrophobicContact CE1-CD2 4.33Å; F74-Y124 AromaticContact CE1-CE1 3.89Å; F74-Y124 HydrophobicContact CE1-CE1 3.89Å; F74-Y124 AromaticContact CE1-CE2 3.68Å; F74-Y124 HydrophobicContact CE1-CE2 3.68Å; F74-Y124 AromaticContact CE1-CZ 3.43Å; F74-Y124 VanDerWaalsContact CE1-CZ 3.43Å; F74-Y124 WeakPolarHBondContact CE1-OH 3.34Å; F74-Y124 HydrophobicContact CZ-CD2 4.11Å; F74-Y124 AromaticContact CZ-CE2 3.66Å; F74-Y124 HydrophobicContact CZ-CE2 3.66Å; F74-Y124 AromaticContact CZ-CZ 3.95Å | ||
| 75 | E | 83.5 | Confident | 76.6 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -53.6 | -42.1 | -176.5 | -157.6 | -177.5 | 176.1 | 0 | 0 | 113.2 | G62 D64 | G62-E75 WeakPolarHBondContact CA-O 3.23Å; D64-E75 WeakPolarHBondContact OD1-CB 3.39Å |
| 76 | N | 87.5 | Confident | 77.4 | Confident | 101 Ų | 101 | 61 Ų | 61 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -84.3 | -21 | 178.9 | -67.4 | -29.8 | 0 | 0 | 0 | 113.3 | F74 K78 E97 | F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 3.21Å; N76-K78 VanDerWaalsContact C-N 3.34Å; N76-K78 PolarHBondContact O-N 3.14Å; N76-E97 HydrophobicContact CB-CG 4.33Å |
| 77 | K | 90.1 | Very high | 78.4 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | trans | -84.7 | 72.9 | -178.2 | -64.2 | 175.4 | -178.6 | 174 | 0 | 110.4 | C61 G62 E72 F74 C95 V96 E97 | C61-K77 CarbonylContact C-O 3.33Å; C61-K77 VanDerWaalsContact CA-O 3.28Å; C61-K77 WeakPolarHBondContact CA-O 3.35Å; C61-K77 WeakPolarHBondContact CB-O 3.49Å; G62-K77 PolarHBondContact N-O 3Å; E72-K77 IonicContact OE2-NZ 3.46Å; E72-K77 PolarHBondContact OE2-NZ 2.9Å; F74-K77 HydrophobicContact CD1-CB 4.3Å; F74-K77 HydrophobicContact CD1-CD 3.73Å; F74-K77 HydrophobicContact CE1-CD 4.05Å; F74-K77 PolarHBondContact O-N 3.45Å; K77-C95 HydrophobicContact CB-CB 3.74Å; K77-C95 HydrophobicContact CD-CB 4.44Å; K77-V96 CarbonylContact C-O 3.53Å; K77-V96 WeakPolarHBondContact CA-O 3.36Å; K77-E97 HydrophobicContact CG-CG 3.8Å | ||
| 78 | K | 89.9 | Confident | 79.4 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | trans | -79.6 | -21 | -171.1 | -66.3 | 179.6 | -178.2 | 176.5 | 0 | 115.2 | N76 V96 | N76-K78 VanDerWaalsContact C-N 3.34Å; N76-K78 PolarHBondContact O-N 3.14Å; K78-V96 PolarHBondContact N-O 2.93Å | ||
| 79 | Y | 91.9 | Very high | 80.5 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 141.3 | -170.7 | -54.3 | -70.6 | 0 | 0 | 0 | 112.3 | C95 V96 E97 P155 N158 | Y79-C95 CarbonylContact O-C 3.51Å; Y79-C95 WeakPolarHBondContact O-CA 3.46Å; Y79-V96 PolarHBondContact N-O 3.39Å; Y79-V96 WeakPolarHBondContact O-CG2 3.42Å; Y79-V96 PolarHBondContact O-N 3.23Å; Y79-E97 VanDerWaalsContact CD2-O 3.24Å; Y79-E97 WeakPolarHBondContact CD2-O 3.34Å; Y79-E97 VanDerWaalsContact CE2-O 3.23Å; Y79-E97 WeakPolarHBondContact CE2-O 3.49Å; Y79-P155 HydrophobicContact CD1-CB 3.66Å; Y79-P155 HydrophobicContact CE1-CB 3.38Å; Y79-P155 HydrophobicContact CE1-CG 4.12Å; Y79-N158 CarbonylContact C-O 3.5Å; Y79-N158 VanDerWaalsContact CA-O 3.31Å; Y79-N158 WeakPolarHBondContact CA-O 3.36Å |
| 80 | M | 90 | Very high | 81.8 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.7 | 170.1 | -72.3 | -149.2 | -42.6 | 0 | 0 | 112.4 | A54 C61 W93 I94 N158 R159 C160 | A54-M80 VanDerWaalsContact C-SD 3.53Å; A54-M80 PolarHBondContact N-SD 3.11Å; A54-M80 VanDerWaalsContact N-SD 3.41Å; C61-M80 WeakPolarHBondContact SG-CG 3.11Å; M80-W93 HydrophobicContact CB-CE3 3.8Å; M80-W93 HydrophobicContact CB-CZ3 4.06Å; M80-W93 HydrophobicContact CE-CD2 4.5Å; M80-W93 HydrophobicContact CE-CE3 4Å; M80-W93 HydrophobicContact CE-CZ3 4.32Å; M80-I94 CarbonylContact C-O 3.46Å; M80-I94 WeakPolarHBondContact CA-O 3.38Å; M80-N158 PolarHBondContact N-O 2.86Å; M80-R159 HydrophobicContact CB-CG 4.22Å; M80-R159 HydrophobicContact CE-CG 4.03Å; M80-R159 VanDerWaalsContact CE-NH2 3.33Å; M80-C160 PolarHBondContact O-N 3.38Å |
| 81 | F | 93.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.4 | -178.7 | 175.1 | -101.9 | 0 | 0 | 0 | 111.1 | F85 W93 I94 V96 P100 L121 P146 I150 C160 | F81-F85 HydrophobicContact CD2-CZ 4.06Å; F81-F85 AromaticContact CE2-CE2 3.83Å; F81-F85 HydrophobicContact CE2-CE2 3.83Å; F81-F85 AromaticContact CE2-CZ 3.72Å; F81-F85 HydrophobicContact CE2-CZ 3.72Å; F81-W93 WeakPolarHBondContact O-CA 3.46Å; F81-I94 HydrophobicContact CB-CG1 4.31Å; F81-I94 HydrophobicContact CD1-CD1 4.16Å; F81-I94 HydrophobicContact CD1-CG1 4.01Å; F81-I94 PolarHBondContact N-O 3.33Å; F81-I94 PolarHBondContact O-N 3.31Å; F81-V96 HydrophobicContact CB-CB 4.37Å; F81-V96 HydrophobicContact CB-CG1 3.64Å; F81-V96 HydrophobicContact CB-CG2 3.75Å; F81-V96 HydrophobicContact CD1-CG1 4.36Å; F81-V96 HydrophobicContact CG-CG1 4.19Å; F81-P100 HydrophobicContact CE2-CG 4.34Å; F81-L121 HydrophobicContact CD1-CD2 4.45Å; F81-L121 HydrophobicContact CD2-CD2 4.39Å; F81-L121 HydrophobicContact CE1-CB 4.45Å; F81-L121 HydrophobicContact CE1-CD2 4.47Å; F81-L121 WeakPolarHBondContact CE1-O 3.41Å; F81-L121 HydrophobicContact CE2-CD2 4.42Å; F81-L121 HydrophobicContact CG-CD2 4.41Å; F81-L121 HydrophobicContact CZ-CD2 4.46Å; F81-P146 HydrophobicContact CE1-CB 3.87Å; F81-P146 HydrophobicContact CE1-CG 4.07Å; F81-P146 HydrophobicContact CZ-CB 3.91Å; F81-P146 HydrophobicContact CZ-CG 4.18Å; F81-I150 HydrophobicContact CE2-CG2 3.82Å; F81-I150 HydrophobicContact CZ-CD1 4.45Å; F81-I150 HydrophobicContact CZ-CG2 3.9Å; F81-C160 HydrophobicContact CD2-CB 4.34Å |
| 82 | P | 91.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 137.9 | 173.1 | 32.3 | -29.5 | 0 | 0 | 0 | 111.2 | S84 F85 L92 W93 | P82-S84 PolarHBondContact O-N 2.96Å; P82-S84 VanDerWaalsContact O-N 3.15Å; P82-F85 HydrophobicContact CG-CD1 3.66Å; P82-F85 HydrophobicContact CG-CE1 3.62Å; P82-F85 HydrophobicContact CG-CG 4.42Å; P82-F85 HydrophobicContact CG-CZ 4.37Å; P82-L92 WeakPolarHBondContact CA-O 3.25Å; P82-W93 HydrophobicContact CB-CD2 3.92Å; P82-W93 HydrophobicContact CB-CE3 4.07Å; P82-W93 HydrophobicContact CB-CH2 4.03Å; P82-W93 HydrophobicContact CB-CZ2 3.83Å; P82-W93 HydrophobicContact CB-CZ3 4.14Å; P82-W93 HydrophobicContact CG-CE3 4.39Å; P82-W93 HydrophobicContact CG-CH2 3.89Å; P82-W93 HydrophobicContact CG-CZ2 4.15Å; P82-W93 HydrophobicContact CG-CZ3 4.02Å |
| 83 | M | 92 | Very high | 85.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -57.3 | -22.9 | 167.9 | -65.8 | -58 | 176.6 | 0 | 0 | 113.5 | S91 L92 I94 D123 C145 P146 V147 | M83-S91 WeakPolarHBondContact CA-OG 3.39Å; M83-S91 WeakPolarHBondContact CB-OG 3.35Å; M83-S91 PolarHBondContact N-OG 2.91Å; M83-L92 HydrophobicContact CB-CB 4.43Å; M83-L92 HydrophobicContact CE-CD2 4.02Å; M83-L92 HydrophobicContact CG-CB 3.8Å; M83-L92 HydrophobicContact CG-CD2 4.17Å; M83-L92 HydrophobicContact CG-CG 4.34Å; M83-L92 PolarHBondContact N-O 2.78Å; M83-I94 HydrophobicContact CE-CD1 3.78Å; M83-I94 HydrophobicContact CE-CG1 4.1Å; M83-I94 HydrophobicContact CE-CG2 3.81Å; M83-D123 HydrophobicContact CE-CB 4.28Å; M83-C145 VanDerWaalsContact SD-C 3.56Å; M83-P146 CarbonylContact O-C 3.55Å; M83-P146 WeakPolarHBondContact O-CA 3.44Å; M83-P146 WeakPolarHBondContact O-CB 3.26Å; M83-P146 HydrophobicContact SD-CB 4.19Å; M83-V147 PolarHBondContact O-N 3.01Å |
| 84 | S | 89.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | trans | -141.7 | 114.7 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | P82 A86 S87 S91 | P82-S84 PolarHBondContact O-N 2.96Å; P82-S84 VanDerWaalsContact O-N 3.15Å; S84-A86 PolarHBondContact O-N 3.43Å; S84-A86 PolarHBondContact OG-N 3.36Å; S84-S87 CarbonylContact O-C 3.6Å; S84-S87 PolarHBondContact O-N 2.89Å; S84-S87 PolarHBondContact OG-N 2.66Å; S84-S91 PolarHBondContact N-OG 3.23Å | ||
| 85 | F | 84.1 | Confident | 86.8 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24.2 | 170.6 | -70.7 | -64 | 0 | 0 | 0 | 113.2 | F81 P82 S87 P88 I150 L151 S153 C160 P162 | F81-F85 HydrophobicContact CD2-CZ 4.06Å; F81-F85 AromaticContact CE2-CE2 3.83Å; F81-F85 HydrophobicContact CE2-CE2 3.83Å; F81-F85 AromaticContact CE2-CZ 3.72Å; F81-F85 HydrophobicContact CE2-CZ 3.72Å; P82-F85 HydrophobicContact CG-CD1 3.66Å; P82-F85 HydrophobicContact CG-CE1 3.62Å; P82-F85 HydrophobicContact CG-CG 4.42Å; P82-F85 HydrophobicContact CG-CZ 4.37Å; F85-S87 VanDerWaalsContact C-N 3.33Å; F85-P88 WeakPolarHBondContact O-CD 3.43Å; F85-I150 HydrophobicContact CD2-CG2 4.45Å; F85-I150 HydrophobicContact CE2-CG2 3.69Å; F85-L151 HydrophobicContact CD2-CB 4.33Å; F85-S153 WeakPolarHBondContact CZ-OG 3.28Å; F85-C160 WeakPolarHBondContact CE1-O 3.47Å; F85-P162 HydrophobicContact CB-CG 4.4Å; F85-P162 HydrophobicContact CD1-CB 4.33Å; F85-P162 HydrophobicContact CD1-CG 3.75Å; F85-P162 HydrophobicContact CE1-CG 4.28Å; F85-P162 HydrophobicContact CG-CG 4.17Å |
| 86 | A | 79.6 | Confident | 87.3 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 74% | 0.744 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -24.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S84 | S84-A86 PolarHBondContact O-N 3.43Å; S84-A86 PolarHBondContact OG-N 3.36Å |
| 87 | S | 78.7 | Confident | 87.5 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | trans | -140.7 | 62.6 | -179.2 | -76 | 0 | 0 | 0 | 0 | 111.9 | S84 F85 I89 K90 S91 | S84-S87 CarbonylContact O-C 3.6Å; S84-S87 PolarHBondContact O-N 2.89Å; S84-S87 PolarHBondContact OG-N 2.66Å; F85-S87 VanDerWaalsContact C-N 3.33Å; S87-I89 PolarHBondContact O-N 3.25Å; S87-I89 VanDerWaalsContact O-N 3.09Å; S87-K90 PolarHBondContact O-N 2.9Å; S87-K90 VanDerWaalsContact O-N 3.08Å; S87-S91 WeakPolarHBondContact O-CB 3.36Å; S87-S91 PolarHBondContact O-N 2.78Å | ||
| 88 | P | 77.3 | Confident | 87.7 | Confident | 55 Ų | 55 | 45 Ų | 45 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.8 | -172.4 | 24.5 | -34 | 0 | 0 | 0 | 113.1 | F85 W93 | F85-P88 WeakPolarHBondContact O-CD 3.43Å; P88-W93 HydrophobicContact CB-CZ2 3.92Å; P88-W93 PolarHBondContact O-NE1 2.81Å |
| 89 | I | 76.2 | Confident | 87.8 | Confident | 155 Ų | 155 | 40 Ų | 40 | 80% | 0.795 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -35.4 | 179.8 | -60.2 | 169.8 | 0 | 0 | 0 | 111.9 | S87 | S87-I89 PolarHBondContact O-N 3.25Å; S87-I89 VanDerWaalsContact O-N 3.09Å |
| 90 | K | 79.6 | Confident | 87.9 | Confident | 150 Ų | 150 | 37 Ų | 37 | 65% | 0.652 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -21.5 | -178.2 | -66.4 | -178.9 | -178.9 | 176.9 | 0 | 112.3 | S87 V141 N142 | S87-K90 PolarHBondContact O-N 2.9Å; S87-K90 VanDerWaalsContact O-N 3.08Å; K90-V141 VanDerWaalsContact C-CG1 3.47Å; K90-V141 HydrophobicContact CB-CG1 3.89Å; K90-N142 PolarHBondContact O-OD1 3.21Å |
| 91 | S | 86.4 | Confident | 88 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -62.3 | 144.8 | -177.5 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | M83 S84 S87 W93 V141 | M83-S91 WeakPolarHBondContact CA-OG 3.39Å; M83-S91 WeakPolarHBondContact CB-OG 3.35Å; M83-S91 PolarHBondContact N-OG 2.91Å; S84-S91 PolarHBondContact N-OG 3.23Å; S87-S91 WeakPolarHBondContact O-CB 3.36Å; S87-S91 PolarHBondContact O-N 2.78Å; S91-W93 VanDerWaalsContact O-CD1 3.23Å; S91-V141 CarbonylContact C-O 3.51Å; S91-V141 VanDerWaalsContact CA-CG1 3.45Å; S91-V141 WeakPolarHBondContact CA-O 3.27Å |
| 92 | L | 89.1 | Confident | 87.9 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | trans | -62.9 | 135.1 | 160.2 | -176.7 | 74.5 | 0 | 0 | 0 | 109.3 | D56 P82 M83 I94 V141 | D56-L92 HydrophobicContact CB-CD1 3.63Å; D56-L92 VanDerWaalsContact OD2-CA 3.32Å; D56-L92 WeakPolarHBondContact OD2-CA 3.44Å; P82-L92 WeakPolarHBondContact CA-O 3.25Å; M83-L92 HydrophobicContact CB-CB 4.43Å; M83-L92 HydrophobicContact CE-CD2 4.02Å; M83-L92 HydrophobicContact CG-CB 3.8Å; M83-L92 HydrophobicContact CG-CD2 4.17Å; M83-L92 HydrophobicContact CG-CG 4.34Å; M83-L92 PolarHBondContact N-O 2.78Å; L92-I94 HydrophobicContact CD2-CG2 4.37Å; L92-I94 HydrophobicContact CG-CG2 4.47Å; L92-V141 PolarHBondContact N-O 3.13Å | ||
| 93 | W | 89.7 | Confident | 87.9 | Confident | 46 Ų | 46 | 46 Ų | 46 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.3 | 173.5 | -72.5 | 78.7 | 0 | 0 | 0 | 110.9 | D55 D56 M80 F81 P82 P88 S91 | D55-W93 WeakPolarHBondContact CB-O 3.27Å; D56-W93 PolarHBondContact N-O 3.37Å; D56-W93 VanDerWaalsContact N-O 3.14Å; D56-W93 PolarHBondContact OD2-N 3.22Å; M80-W93 HydrophobicContact CB-CE3 3.8Å; M80-W93 HydrophobicContact CB-CZ3 4.06Å; M80-W93 HydrophobicContact CE-CD2 4.5Å; M80-W93 HydrophobicContact CE-CE3 4Å; M80-W93 HydrophobicContact CE-CZ3 4.32Å; F81-W93 WeakPolarHBondContact O-CA 3.46Å; P82-W93 HydrophobicContact CB-CD2 3.92Å; P82-W93 HydrophobicContact CB-CE3 4.07Å; P82-W93 HydrophobicContact CB-CH2 4.03Å; P82-W93 HydrophobicContact CB-CZ2 3.83Å; P82-W93 HydrophobicContact CB-CZ3 4.14Å; P82-W93 HydrophobicContact CG-CE3 4.39Å; P82-W93 HydrophobicContact CG-CH2 3.89Å; P82-W93 HydrophobicContact CG-CZ2 4.15Å; P82-W93 HydrophobicContact CG-CZ3 4.02Å; P88-W93 HydrophobicContact CB-CZ2 3.92Å; P88-W93 PolarHBondContact O-NE1 2.81Å; S91-W93 VanDerWaalsContact O-CD1 3.23Å |
| 94 | I | 91.7 | Very high | 87.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159.8 | 178.1 | 60.8 | 161.8 | 0 | 0 | 0 | 111.4 | M80 F81 M83 L92 V96 L121 C122 Y124 | M80-I94 CarbonylContact C-O 3.46Å; M80-I94 WeakPolarHBondContact CA-O 3.38Å; F81-I94 HydrophobicContact CB-CG1 4.31Å; F81-I94 HydrophobicContact CD1-CD1 4.16Å; F81-I94 HydrophobicContact CD1-CG1 4.01Å; F81-I94 PolarHBondContact N-O 3.33Å; F81-I94 PolarHBondContact O-N 3.31Å; M83-I94 HydrophobicContact CE-CD1 3.78Å; M83-I94 HydrophobicContact CE-CG1 4.1Å; M83-I94 HydrophobicContact CE-CG2 3.81Å; L92-I94 HydrophobicContact CD2-CG2 4.37Å; L92-I94 HydrophobicContact CG-CG2 4.47Å; I94-V96 HydrophobicContact CD1-CG1 3.88Å; I94-V96 HydrophobicContact CG1-CG1 4.07Å; I94-L121 WeakPolarHBondContact CD1-O 3.13Å; I94-C122 WeakPolarHBondContact CD1-O 3.38Å; I94-Y124 HydrophobicContact CB-CE1 4.01Å; I94-Y124 HydrophobicContact CG2-CE1 4.45Å |
| 95 | C | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.7 | 171.5 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | C61 F74 K77 Y79 Y124 | C61-C95 WeakPolarHBondContact CA-SG 3.42Å; C61-C95 HydrophobicContact CB-CB 3.81Å; C61-C95 WeakPolarHBondContact CB-SG 3.14Å; C61-C95 VanDerWaalsContact SG-CA 3.54Å; C61-C95 WeakPolarHBondContact SG-CB 3.22Å; C61-C95 CovalentContact SG-SG 2.04Å; C61-C95 PolarHBondContact SG-SG 3.48Å; F74-C95 HydrophobicContact CD1-CB 3.86Å; F74-C95 HydrophobicContact CE1-CB 4.24Å; K77-C95 HydrophobicContact CB-CB 3.74Å; K77-C95 HydrophobicContact CD-CB 4.44Å; Y79-C95 CarbonylContact O-C 3.51Å; Y79-C95 WeakPolarHBondContact O-CA 3.46Å; C95-Y124 PolarHBondContact N-OH 3.13Å |
| 96 | V | 93.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 153.7 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | K77 K78 Y79 F81 I94 M98 K120 L121 | K77-V96 CarbonylContact C-O 3.53Å; K77-V96 WeakPolarHBondContact CA-O 3.36Å; K78-V96 PolarHBondContact N-O 2.93Å; Y79-V96 PolarHBondContact N-O 3.39Å; Y79-V96 WeakPolarHBondContact O-CG2 3.42Å; Y79-V96 PolarHBondContact O-N 3.23Å; F81-V96 HydrophobicContact CB-CB 4.37Å; F81-V96 HydrophobicContact CB-CG1 3.64Å; F81-V96 HydrophobicContact CB-CG2 3.75Å; F81-V96 HydrophobicContact CD1-CG1 4.36Å; F81-V96 HydrophobicContact CG-CG1 4.19Å; I94-V96 HydrophobicContact CD1-CG1 3.88Å; I94-V96 HydrophobicContact CG1-CG1 4.07Å; V96-M98 WeakPolarHBondContact CG2-O 3.35Å; V96-K120 WeakPolarHBondContact CG1-O 3.14Å; V96-L121 HydrophobicContact CB-CD2 4.34Å; V96-L121 HydrophobicContact CG1-CD2 3.98Å |
| 97 | E | 92 | Very high | 89.3 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.7 | -30.1 | -179.8 | -59.2 | -179.1 | -175 | 0 | 0 | 112.4 | N76 K77 Y79 V119 | N76-E97 HydrophobicContact CB-CG 4.33Å; K77-E97 HydrophobicContact CG-CG 3.8Å; Y79-E97 VanDerWaalsContact CD2-O 3.24Å; Y79-E97 WeakPolarHBondContact CD2-O 3.34Å; Y79-E97 VanDerWaalsContact CE2-O 3.23Å; Y79-E97 WeakPolarHBondContact CE2-O 3.49Å; E97-V119 HydrophobicContact CB-CG2 4.37Å |
| 98 | M | 93.4 | Very high | 90 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -145.6 | 139.9 | -178.2 | -165.3 | 177.4 | 63.7 | 0 | 0 | 111 | V96 F113 Y117 V119 | V96-M98 WeakPolarHBondContact CG2-O 3.35Å; M98-F113 HydrophobicContact CE-CE2 4.41Å; M98-F113 HydrophobicContact CE-CZ 3.76Å; M98-Y117 HydrophobicContact CE-CD1 3.58Å; M98-Y117 HydrophobicContact CE-CD2 3.93Å; M98-Y117 HydrophobicContact CE-CE1 4.13Å; M98-Y117 HydrophobicContact CE-CE2 4.44Å; M98-Y117 HydrophobicContact CE-CG 3.47Å; M98-Y117 VanDerWaalsContact CE-CG 3.47Å; M98-Y117 HydrophobicContact SD-CD1 4.48Å; M98-V119 HydrophobicContact CB-CG1 4.47Å; M98-V119 HydrophobicContact CB-CG2 3.95Å; M98-V119 HydrophobicContact CE-CG2 4.4Å |
| 99 | C | 93.4 | Very high | 90.8 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -75.1 | 148.1 | 169.1 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | N101 C160 | C99-N101 PolarHBondContact O-N 2.72Å; C99-N101 VanDerWaalsContact O-N 3.17Å; C99-C160 WeakPolarHBondContact CA-SG 3.48Å; C99-C160 HydrophobicContact CB-CB 3.81Å; C99-C160 WeakPolarHBondContact CB-SG 3.26Å; C99-C160 WeakPolarHBondContact SG-CA 3.18Å; C99-C160 WeakPolarHBondContact SG-CB 3.26Å; C99-C160 CovalentContact SG-SG 2.04Å; C99-C160 PolarHBondContact SG-SG 2.86Å | ||
| 100 | P | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -61.6 | 118.4 | -179.7 | 24.5 | -33.9 | 0 | 0 | 0 | 111.3 | F81 E102 I104 F113 I150 S153 | F81-P100 HydrophobicContact CE2-CG 4.34Å; P100-E102 VanDerWaalsContact C-N 3.34Å; P100-I104 HydrophobicContact CB-CD1 4.48Å; P100-F113 HydrophobicContact CB-CZ 4.47Å; P100-I150 HydrophobicContact CB-CG2 4.18Å; P100-I150 HydrophobicContact CG-CG2 3.85Å; P100-S153 PolarHBondContact O-N 3.07Å | ||
| 101 | N | 92 | Very high | 92.4 | Very high | 58 Ų | 58 | 35.3 Ų | 35.3 | 31% | 0.31 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -86.8 | -6.3 | -179.4 | 67.1 | -3.8 | 0 | 0 | 0 | 113.5 | C99 F113 Y117 K152 | C99-N101 PolarHBondContact O-N 2.72Å; C99-N101 VanDerWaalsContact O-N 3.17Å; N101-F113 WeakPolarHBondContact OD1-CE2 3.47Å; N101-Y117 PolarHBondContact ND2-OH 2.84Å; N101-K152 WeakPolarHBondContact O-CD 3.42Å; N101-K152 WeakPolarHBondContact O-CE 3.42Å; N101-K152 WeakPolarHBondContact O-CG 3.31Å; N101-K152 PolarHBondContact O-NZ 3.18Å |
| 102 | E | 91.7 | Very high | 92.8 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -135.7 | 161 | 176.9 | 63.9 | -171.2 | -167.3 | 0 | 0 | 110.3 | P100 F113 | P100-E102 VanDerWaalsContact C-N 3.34Å; E102-F113 HydrophobicContact CG-CD2 4Å; E102-F113 HydrophobicContact CG-CE2 4.23Å; E102-F113 WeakPolarHBondContact OE1-CD2 3.48Å |
| 103 | T | 91.2 | Very high | 93.1 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | trans | -86.9 | 119.8 | 177.3 | -62.9 | 0 | 0 | 0 | 0 | 109.3 | I150 L151 K152 | T103-I150 CarbonylContact C-O 3.57Å; T103-I150 VanDerWaalsContact CA-O 3.32Å; T103-I150 WeakPolarHBondContact CA-O 3.17Å; T103-L151 HydrophobicContact CG2-CD2 4.22Å; T103-K152 PolarHBondContact OG1-N 3.42Å | ||
| 104 | I | 93.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 109.3 | -176.4 | -50.9 | 172.5 | 0 | 0 | 0 | 108.5 | P100 M109 L110 F113 L121 M148 P149 I150 | P100-I104 HydrophobicContact CB-CD1 4.48Å; I104-M109 HydrophobicContact CG2-CB 3.62Å; I104-L110 HydrophobicContact CD1-CD1 4.03Å; I104-L110 HydrophobicContact CG2-CB 3.88Å; I104-F113 HydrophobicContact CD1-CB 3.87Å; I104-F113 HydrophobicContact CD1-CD1 3.9Å; I104-F113 HydrophobicContact CD1-CD2 4.05Å; I104-F113 HydrophobicContact CD1-CG 3.65Å; I104-L121 HydrophobicContact CD1-CD1 4.02Å; I104-M148 HydrophobicContact CB-CE 4.48Å; I104-M148 HydrophobicContact CG2-CE 3.71Å; I104-P149 CarbonylContact O-C 3.52Å; I104-P149 WeakPolarHBondContact O-CA 3.44Å; I104-I150 HydrophobicContact CB-CB 4.08Å; I104-I150 HydrophobicContact CB-CD1 4.35Å; I104-I150 HydrophobicContact CD1-CD1 4.23Å; I104-I150 PolarHBondContact N-O 2.92Å; I104-I150 PolarHBondContact O-N 2.84Å |
| 105 | Q | 92.8 | Very high | 93.4 | Very high | 110 Ų | 110 | 43.8 Ų | 43.8 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | trans | -83.7 | -30.2 | -173.4 | -50.7 | -75.7 | -4.4 | 0 | 0 | 114.4 | M109 M148 P149 | Q105-M109 HydrophobicContact CB-CE 3.32Å; Q105-M109 HydrophobicContact CG-CE 3.65Å; Q105-M148 WeakPolarHBondContact O-CB 3.28Å; Q105-P149 VanDerWaalsContact OE1-CB 3.25Å | ||
| 106 | N | 94.3 | Very high | 93.6 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 40% | 0.401 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -145.2 | 168.1 | -173.7 | 65.5 | 9.3 | 0 | 0 | 0 | 112.3 | T108 M109 L110 M148 | N106-T108 VanDerWaalsContact C-N 3.3Å; N106-T108 PolarHBondContact O-N 3.41Å; N106-M109 PolarHBondContact O-N 3.23Å; N106-M109 VanDerWaalsContact O-N 3.16Å; N106-M109 WeakPolarHBondContact OD1-CB 3.43Å; N106-M109 WeakPolarHBondContact OD1-CE 3.32Å; N106-M109 WeakPolarHBondContact OD1-CG 3.35Å; N106-M109 PolarHBondContact OD1-N 3.08Å; N106-L110 PolarHBondContact O-N 2.7Å; N106-M148 WeakPolarHBondContact O-CE 3.26Å |
| 107 | R | 93.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -33.9 | -175.4 | -74 | -59.1 | -158.7 | 112.9 | 8.2 | 114.5 | M109 L110 A111 Y131 E134 Y137 S139 C145 | R107-M109 PolarHBondContact O-N 3.48Å; R107-L110 WeakPolarHBondContact O-CA 3.24Å; R107-L110 VanDerWaalsContact O-CB 3.32Å; R107-L110 WeakPolarHBondContact O-CB 3.36Å; R107-L110 PolarHBondContact O-N 3.48Å; R107-L110 VanDerWaalsContact O-N 3.1Å; R107-A111 PolarHBondContact O-N 2.81Å; R107-Y131 PolarHBondContact NH1-O 3.41Å; R107-E134 HydrophobicContact CG-CG 3.73Å; R107-E134 WeakPolarHBondContact CG-OE1 3.47Å; R107-Y137 PolarHBondContact NH2-O 2.71Å; R107-S139 VanDerWaalsContact CZ-OG 3.23Å; R107-S139 PolarHBondContact NE-OG 3.41Å; R107-S139 VanDerWaalsContact NH2-N 3.17Å; R107-S139 PolarHBondContact NH2-OG 3.37Å; R107-C145 VanDerWaalsContact NH1-CB 3.34Å; R107-C145 PolarHBondContact NH1-SG 2.95Å |
| 108 | T | 93.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.9 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | N106 L110 A111 R112 E132 | N106-T108 VanDerWaalsContact C-N 3.3Å; N106-T108 PolarHBondContact O-N 3.41Å; T108-L110 VanDerWaalsContact C-N 3.3Å; T108-L110 PolarHBondContact O-N 3.22Å; T108-A111 PolarHBondContact O-N 2.72Å; T108-R112 WeakPolarHBondContact O-CG 3.23Å; T108-R112 PolarHBondContact O-N 3.4Å; T108-E132 WeakPolarHBondContact CA-OE1 3.31Å; T108-E132 WeakPolarHBondContact CG2-OE1 3.35Å |
| 109 | M | 94.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 30% | 0.296 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 173.1 | -75.2 | -168.1 | -84 | 0 | 0 | 112.2 | I104 Q105 N106 R107 R112 F113 | I104-M109 HydrophobicContact CG2-CB 3.62Å; Q105-M109 HydrophobicContact CB-CE 3.32Å; Q105-M109 HydrophobicContact CG-CE 3.65Å; N106-M109 PolarHBondContact O-N 3.23Å; N106-M109 VanDerWaalsContact O-N 3.16Å; N106-M109 WeakPolarHBondContact OD1-CB 3.43Å; N106-M109 WeakPolarHBondContact OD1-CE 3.32Å; N106-M109 WeakPolarHBondContact OD1-CG 3.35Å; N106-M109 PolarHBondContact OD1-N 3.08Å; R107-M109 PolarHBondContact O-N 3.48Å; M109-R112 PolarHBondContact O-N 2.73Å; M109-F113 VanDerWaalsContact O-CB 3.25Å; M109-F113 WeakPolarHBondContact O-CB 3.48Å; M109-F113 PolarHBondContact O-N 3.3Å |
| 110 | L | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 175.4 | -176.9 | 57.2 | 0 | 0 | 0 | 111.7 | I104 N106 R107 T108 F113 A114 L121 Y131 P146 M148 I150 | I104-L110 HydrophobicContact CD1-CD1 4.03Å; I104-L110 HydrophobicContact CG2-CB 3.88Å; N106-L110 PolarHBondContact O-N 2.7Å; R107-L110 WeakPolarHBondContact O-CA 3.24Å; R107-L110 VanDerWaalsContact O-CB 3.32Å; R107-L110 WeakPolarHBondContact O-CB 3.36Å; R107-L110 PolarHBondContact O-N 3.48Å; R107-L110 VanDerWaalsContact O-N 3.1Å; T108-L110 VanDerWaalsContact C-N 3.3Å; T108-L110 PolarHBondContact O-N 3.22Å; L110-F113 PolarHBondContact O-N 2.79Å; L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.45Å; L110-L121 HydrophobicContact CD1-CB 3.95Å; L110-L121 HydrophobicContact CD1-CD1 3.67Å; L110-L121 HydrophobicContact CD1-CG 4.4Å; L110-Y131 HydrophobicContact CD2-CD2 4.37Å; L110-Y131 HydrophobicContact CG-CD2 3.92Å; L110-Y131 HydrophobicContact CG-CE2 4.33Å; L110-P146 HydrophobicContact CD2-CG 3.98Å; L110-M148 HydrophobicContact CB-CE 3.96Å; L110-M148 HydrophobicContact CD2-CE 4.4Å; L110-I150 HydrophobicContact CD1-CD1 3.57Å; L110-I150 HydrophobicContact CD2-CD1 4.21Å; L110-I150 HydrophobicContact CG-CD1 4.4Å |
| 111 | A | 94.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R107 T108 A114 S115 E132 | R107-A111 PolarHBondContact O-N 2.81Å; T108-A111 PolarHBondContact O-N 2.72Å; A111-A114 PolarHBondContact O-N 3.32Å; A111-S115 VanDerWaalsContact O-CB 3.3Å; A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 3.18Å; A111-E132 HydrophobicContact CB-CG 3.81Å |
| 112 | R | 95 | Very high | 93.5 | Very high | 168 Ų | 168 | 55.1 Ų | 55.1 | 63% | 0.634 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 174.6 | -70.7 | 178 | -160.8 | 164.5 | 4.3 | 112.2 | T108 M109 S115 K116 | T108-R112 WeakPolarHBondContact O-CG 3.23Å; T108-R112 PolarHBondContact O-N 3.4Å; M109-R112 PolarHBondContact O-N 2.73Å; R112-S115 PolarHBondContact O-N 3.34Å; R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 2.99Å |
| 113 | F | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 177.8 | 177.9 | -88.1 | 0 | 0 | 0 | 111.2 | M98 P100 N101 E102 I104 M109 L110 S115 K116 Y117 L121 | M98-F113 HydrophobicContact CE-CE2 4.41Å; M98-F113 HydrophobicContact CE-CZ 3.76Å; P100-F113 HydrophobicContact CB-CZ 4.47Å; N101-F113 WeakPolarHBondContact OD1-CE2 3.47Å; E102-F113 HydrophobicContact CG-CD2 4Å; E102-F113 HydrophobicContact CG-CE2 4.23Å; E102-F113 WeakPolarHBondContact OE1-CD2 3.48Å; I104-F113 HydrophobicContact CD1-CB 3.87Å; I104-F113 HydrophobicContact CD1-CD1 3.9Å; I104-F113 HydrophobicContact CD1-CD2 4.05Å; I104-F113 HydrophobicContact CD1-CG 3.65Å; M109-F113 VanDerWaalsContact O-CB 3.25Å; M109-F113 WeakPolarHBondContact O-CB 3.48Å; M109-F113 PolarHBondContact O-N 3.3Å; L110-F113 PolarHBondContact O-N 2.79Å; F113-S115 PolarHBondContact O-N 3.15Å; F113-K116 PolarHBondContact O-N 3.02Å; F113-Y117 HydrophobicContact CD1-CD2 4.42Å; F113-Y117 AromaticContact CD2-CD2 3.57Å; F113-Y117 HydrophobicContact CD2-CD2 3.57Å; F113-Y117 AromaticContact CD2-CE2 3.67Å; F113-Y117 HydrophobicContact CD2-CE2 3.67Å; F113-Y117 HydrophobicContact CE1-CD2 4.27Å; F113-Y117 AromaticContact CE2-CD2 3.4Å; F113-Y117 HydrophobicContact CE2-CD2 3.4Å; F113-Y117 AromaticContact CE2-CE2 3.47Å; F113-Y117 HydrophobicContact CE2-CE2 3.47Å; F113-Y117 VanDerWaalsContact CE2-CE2 3.47Å; F113-Y117 HydrophobicContact CE2-CG 4.46Å; F113-Y117 HydrophobicContact CG-CD2 4.09Å; F113-Y117 AromaticContact CZ-CD2 3.78Å; F113-Y117 HydrophobicContact CZ-CD2 3.78Å; F113-Y117 HydrophobicContact CZ-CE2 4.24Å; F113-Y117 HydrophobicContact CZ-CG 4.49Å; F113-Y117 WeakPolarHBondContact O-CD2 3.06Å; F113-Y117 PolarHBondContact O-N 3.34Å; F113-L121 HydrophobicContact CD1-CD1 3.7Å; F113-L121 HydrophobicContact CE1-CD1 3.64Å; F113-L121 HydrophobicContact CE1-CG 4.32Å |
| 114 | A | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L110 A111 K118 V119 I128 Y131 | L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.45Å; A111-A114 PolarHBondContact O-N 3.32Å; A114-K118 CarbonylContact O-C 3.48Å; A114-K118 WeakPolarHBondContact O-CA 3.45Å; A114-K118 PolarHBondContact O-N 2.85Å; A114-V119 WeakPolarHBondContact CA-O 3.42Å; A114-V119 VanDerWaalsContact CB-O 3.27Å; A114-V119 WeakPolarHBondContact CB-O 3.41Å; A114-V119 PolarHBondContact O-N 3.45Å; A114-I128 HydrophobicContact CB-CD1 4.44Å; A114-I128 HydrophobicContact CB-CG1 4.33Å; A114-I128 HydrophobicContact CB-CG2 3.91Å; A114-Y131 HydrophobicContact CB-CD2 3.79Å; A114-Y131 HydrophobicContact CB-CE2 3.53Å |
| 115 | S | 94.5 | Very high | 93.1 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 57% | 0.573 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.2 | -45.6 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | A111 R112 F113 K118 | A111-S115 VanDerWaalsContact O-CB 3.3Å; A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 3.18Å; R112-S115 PolarHBondContact O-N 3.34Å; F113-S115 PolarHBondContact O-N 3.15Å; S115-K118 PolarHBondContact O-N 2.75Å |
| 116 | K | 94.9 | Very high | 93.1 | Very high | 139 Ų | 139 | 50 Ų | 50 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.9 | -48.2 | -178.9 | 179.2 | -178.7 | 178 | -173.6 | 0 | 112.6 | R112 F113 | R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 2.99Å; F113-K116 PolarHBondContact O-N 3.02Å |
| 117 | Y | 93.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -94 | -5.8 | -177.3 | -67.5 | -71.7 | 0 | 0 | 0 | 113.4 | M98 N101 F113 V119 | M98-Y117 HydrophobicContact CE-CD1 3.58Å; M98-Y117 HydrophobicContact CE-CD2 3.93Å; M98-Y117 HydrophobicContact CE-CE1 4.13Å; M98-Y117 HydrophobicContact CE-CE2 4.44Å; M98-Y117 HydrophobicContact CE-CG 3.47Å; M98-Y117 VanDerWaalsContact CE-CG 3.47Å; M98-Y117 HydrophobicContact SD-CD1 4.48Å; N101-Y117 PolarHBondContact ND2-OH 2.84Å; F113-Y117 HydrophobicContact CD1-CD2 4.42Å; F113-Y117 AromaticContact CD2-CD2 3.57Å; F113-Y117 HydrophobicContact CD2-CD2 3.57Å; F113-Y117 AromaticContact CD2-CE2 3.67Å; F113-Y117 HydrophobicContact CD2-CE2 3.67Å; F113-Y117 HydrophobicContact CE1-CD2 4.27Å; F113-Y117 AromaticContact CE2-CD2 3.4Å; F113-Y117 HydrophobicContact CE2-CD2 3.4Å; F113-Y117 AromaticContact CE2-CE2 3.47Å; F113-Y117 HydrophobicContact CE2-CE2 3.47Å; F113-Y117 VanDerWaalsContact CE2-CE2 3.47Å; F113-Y117 HydrophobicContact CE2-CG 4.46Å; F113-Y117 HydrophobicContact CG-CD2 4.09Å; F113-Y117 AromaticContact CZ-CD2 3.78Å; F113-Y117 HydrophobicContact CZ-CD2 3.78Å; F113-Y117 HydrophobicContact CZ-CE2 4.24Å; F113-Y117 HydrophobicContact CZ-CG 4.49Å; F113-Y117 WeakPolarHBondContact O-CD2 3.06Å; F113-Y117 PolarHBondContact O-N 3.34Å; Y117-V119 WeakPolarHBondContact O-CG2 3.3Å; Y117-V119 PolarHBondContact O-N 2.93Å |
| 118 | K | 91.1 | Very high | 92.8 | Very high | 170 Ų | 170 | 50.9 Ų | 50.9 | 74% | 0.739 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.3 | -171.8 | -58.7 | -176.8 | 178.3 | -179.3 | 0 | 113.6 | A114 S115 | A114-K118 CarbonylContact O-C 3.48Å; A114-K118 WeakPolarHBondContact O-CA 3.45Å; A114-K118 PolarHBondContact O-N 2.85Å; S115-K118 PolarHBondContact O-N 2.75Å |
| 119 | V | 91.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | trans | -105.7 | 126.9 | -177.7 | 179 | 0 | 0 | 0 | 0 | 110.7 | E97 M98 A114 Y117 L121 | E97-V119 HydrophobicContact CB-CG2 4.37Å; M98-V119 HydrophobicContact CB-CG1 4.47Å; M98-V119 HydrophobicContact CB-CG2 3.95Å; M98-V119 HydrophobicContact CE-CG2 4.4Å; A114-V119 WeakPolarHBondContact CA-O 3.42Å; A114-V119 VanDerWaalsContact CB-O 3.27Å; A114-V119 WeakPolarHBondContact CB-O 3.41Å; A114-V119 PolarHBondContact O-N 3.45Å; Y117-V119 WeakPolarHBondContact O-CG2 3.3Å; Y117-V119 PolarHBondContact O-N 2.93Å; V119-L121 HydrophobicContact CG1-CD2 4.33Å | ||
| 120 | K | 92 | Very high | 92.6 | Very high | 62 Ų | 62 | 53.4 Ų | 53.4 | 27% | 0.27 | 27% | 0.268 | S | S | . | . | trans | -80.2 | 122.8 | 171.2 | -65.6 | -175.9 | -178.7 | -176.4 | 0 | 110.4 | E72 V96 Y124 I128 Y131 | E72-K120 IonicContact OE1-NZ 2.8Å; E72-K120 PolarHBondContact OE1-NZ 2.86Å; V96-K120 WeakPolarHBondContact CG1-O 3.14Å; K120-Y124 PolarHBondContact NZ-O 3.11Å; K120-I128 HydrophobicContact CG-CD1 4.43Å; K120-I128 HydrophobicContact CG-CG1 4.32Å; K120-Y131 VanDerWaalsContact CA-OH 3.25Å; K120-Y131 WeakPolarHBondContact CA-OH 3.5Å; K120-Y131 WeakPolarHBondContact CB-OH 3.39Å | ||
| 121 | L | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -112.1 | -14.9 | 174.3 | -71 | -178.9 | 0 | 0 | 0 | 113.2 | F81 I94 V96 I104 L110 F113 V119 Y131 | F81-L121 HydrophobicContact CD1-CD2 4.45Å; F81-L121 HydrophobicContact CD2-CD2 4.39Å; F81-L121 HydrophobicContact CE1-CB 4.45Å; F81-L121 HydrophobicContact CE1-CD2 4.47Å; F81-L121 WeakPolarHBondContact CE1-O 3.41Å; F81-L121 HydrophobicContact CE2-CD2 4.42Å; F81-L121 HydrophobicContact CG-CD2 4.41Å; F81-L121 HydrophobicContact CZ-CD2 4.46Å; I94-L121 WeakPolarHBondContact CD1-O 3.13Å; V96-L121 HydrophobicContact CB-CD2 4.34Å; V96-L121 HydrophobicContact CG1-CD2 3.98Å; I104-L121 HydrophobicContact CD1-CD1 4.02Å; L110-L121 HydrophobicContact CD1-CB 3.95Å; L110-L121 HydrophobicContact CD1-CD1 3.67Å; L110-L121 HydrophobicContact CD1-CG 4.4Å; F113-L121 HydrophobicContact CD1-CD1 3.7Å; F113-L121 HydrophobicContact CE1-CD1 3.64Å; F113-L121 HydrophobicContact CE1-CG 4.32Å; V119-L121 HydrophobicContact CG1-CD2 4.33Å; L121-Y131 PolarHBondContact N-OH 2.87Å; L121-Y131 VanDerWaalsContact N-OH 3.1Å | ||
| 122 | C | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -82.1 | 172.9 | 164.3 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | I94 V126 Y131 T144 C145 | I94-C122 WeakPolarHBondContact CD1-O 3.38Å; C122-V126 HydrophobicContact CB-CB 3.87Å; C122-V126 HydrophobicContact CB-CG1 4.14Å; C122-V126 HydrophobicContact CB-CG2 4.09Å; C122-Y131 HydrophobicContact CB-CD1 4.46Å; C122-Y131 HydrophobicContact CB-CE1 3.71Å; C122-Y131 HydrophobicContact CB-CE2 4.33Å; C122-Y131 PolarHBondContact N-OH 3.49Å; C122-Y131 VanDerWaalsContact N-OH 3.09Å; C122-T144 WeakPolarHBondContact CB-O 3.43Å; C122-C145 HydrophobicContact CB-CB 4.09Å; C122-C145 WeakPolarHBondContact CB-SG 3.4Å; C122-C145 WeakPolarHBondContact SG-CB 3.18Å; C122-C145 CovalentContact SG-SG 2.04Å; C122-C145 PolarHBondContact SG-SG 3.23Å |
| 123 | D | 91.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | trans | -49.9 | 144.3 | 170.7 | -169.3 | -25.1 | 0 | 0 | 0 | 111.5 | R57 M83 H125 V126 T144 | R57-D123 IonicContact CZ-OD1 2.7Å; R57-D123 IonicContact CZ-OD2 2.7Å; R57-D123 IonicContact NH1-OD1 3.43Å; R57-D123 PolarHBondContact NH1-OD1 2.67Å; R57-D123 IonicContact NH1-OD2 3.68Å; R57-D123 IonicContact NH2-OD1 3.65Å; R57-D123 PolarHBondContact NH2-OD1 3.49Å; R57-D123 IonicContact NH2-OD2 2.68Å; R57-D123 PolarHBondContact NH2-OD2 3.45Å; M83-D123 HydrophobicContact CE-CB 4.28Å; D123-H125 PolarHBondContact O-N 3.13Å; D123-H125 IonicContact OD1-CE1 3.61Å; D123-H125 IonicContact OD1-ND1 2.78Å; D123-H125 PolarHBondContact OD1-ND1 3.35Å; D123-H125 IonicContact OD2-CE1 2.7Å; D123-H125 PolarHBondContact OD2-CE1 2.81Å; D123-H125 IonicContact OD2-ND1 3.37Å; D123-H125 PolarHBondContact OD2-ND1 3.22Å; D123-V126 HydrophobicContact CB-CG2 4.15Å; D123-V126 WeakPolarHBondContact O-CB 3.39Å; D123-V126 WeakPolarHBondContact O-CG2 3.12Å; D123-V126 PolarHBondContact O-N 3.14Å; D123-T144 WeakPolarHBondContact CB-O 3.37Å; D123-T144 PolarHBondContact N-O 3.4Å | ||
| 124 | Y | 88.7 | Confident | 92.1 | Very high | 23 Ų | 23 | 58 Ų | 58 | 9% | 0.09 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -35.1 | -169.2 | -52.2 | -40.6 | 0 | 0 | 0 | 114.5 | D55 F74 I94 C95 K120 V126 | D55-Y124 VanDerWaalsContact OD2-CE2 3.26Å; D55-Y124 WeakPolarHBondContact OD2-CE2 3.28Å; D55-Y124 PolarHBondContact OD2-OH 3.04Å; F74-Y124 HydrophobicContact CE1-CD2 4.33Å; F74-Y124 AromaticContact CE1-CE1 3.89Å; F74-Y124 HydrophobicContact CE1-CE1 3.89Å; F74-Y124 AromaticContact CE1-CE2 3.68Å; F74-Y124 HydrophobicContact CE1-CE2 3.68Å; F74-Y124 AromaticContact CE1-CZ 3.43Å; F74-Y124 VanDerWaalsContact CE1-CZ 3.43Å; F74-Y124 WeakPolarHBondContact CE1-OH 3.34Å; F74-Y124 HydrophobicContact CZ-CD2 4.11Å; F74-Y124 AromaticContact CZ-CE2 3.66Å; F74-Y124 HydrophobicContact CZ-CE2 3.66Å; F74-Y124 AromaticContact CZ-CZ 3.95Å; I94-Y124 HydrophobicContact CB-CE1 4.01Å; I94-Y124 HydrophobicContact CG2-CE1 4.45Å; C95-Y124 PolarHBondContact N-OH 3.13Å; K120-Y124 PolarHBondContact NZ-O 3.11Å; Y124-V126 VanDerWaalsContact C-N 3.29Å; Y124-V126 PolarHBondContact O-N 2.98Å |
| 125 | H | 88.5 | Confident | 91.9 | Very high | 107 Ų | 107 | 67.1 Ų | 67.1 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.4 | -178.4 | 71.2 | -77.6 | 0 | 0 | 0 | 114.2 | D123 P127 Y137 | D123-H125 PolarHBondContact O-N 3.13Å; D123-H125 IonicContact OD1-CE1 3.61Å; D123-H125 IonicContact OD1-ND1 2.78Å; D123-H125 PolarHBondContact OD1-ND1 3.35Å; D123-H125 IonicContact OD2-CE1 2.7Å; D123-H125 PolarHBondContact OD2-CE1 2.81Å; D123-H125 IonicContact OD2-ND1 3.37Å; D123-H125 PolarHBondContact OD2-ND1 3.22Å; H125-P127 WeakPolarHBondContact O-CD 3.33Å; H125-Y137 AromaticContact NE2-CE1 3.93Å |
| 126 | V | 92 | Very high | 91.7 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -88.8 | 116.4 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | C122 D123 Y124 Y131 Y137 | C122-V126 HydrophobicContact CB-CB 3.87Å; C122-V126 HydrophobicContact CB-CG1 4.14Å; C122-V126 HydrophobicContact CB-CG2 4.09Å; D123-V126 HydrophobicContact CB-CG2 4.15Å; D123-V126 WeakPolarHBondContact O-CB 3.39Å; D123-V126 WeakPolarHBondContact O-CG2 3.12Å; D123-V126 PolarHBondContact O-N 3.14Å; Y124-V126 VanDerWaalsContact C-N 3.29Å; Y124-V126 PolarHBondContact O-N 2.98Å; V126-Y131 HydrophobicContact CB-CE1 4.13Å; V126-Y131 HydrophobicContact CG1-CD1 3.76Å; V126-Y131 HydrophobicContact CG1-CE1 3.71Å; V126-Y137 HydrophobicContact CB-CD1 4.46Å; V126-Y137 HydrophobicContact CB-CE1 4.49Å; V126-Y137 HydrophobicContact CG1-CD1 4.14Å; V126-Y137 HydrophobicContact CG1-CD2 3.74Å; V126-Y137 HydrophobicContact CG1-CE1 4.35Å; V126-Y137 HydrophobicContact CG1-CE2 3.98Å; V126-Y137 HydrophobicContact CG1-CG 3.81Å; V126-Y137 HydrophobicContact CG2-CD1 3.64Å; V126-Y137 HydrophobicContact CG2-CE1 3.85Å; V126-Y137 HydrophobicContact CG2-CG 4.1Å |
| 127 | P | 92.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | trans | -72.6 | 144.2 | 175.9 | 29.7 | -32.7 | 0 | 0 | 0 | 110.9 | H125 A129 E130 Y131 | H125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-A129 PolarHBondContact O-N 3.45Å; P127-A129 VanDerWaalsContact O-N 3.17Å; P127-E130 HydrophobicContact CG-CB 4.01Å; P127-E130 HydrophobicContact CG-CG 3.83Å; P127-E130 PolarHBondContact O-N 3.46Å; P127-Y131 VanDerWaalsContact O-CD1 3.24Å; P127-Y131 WeakPolarHBondContact O-CD1 3.29Å | ||
| 128 | I | 90.5 | Very high | 91.5 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -56.8 | -34.9 | -177.9 | -64.1 | 174.2 | 0 | 0 | 0 | 111.7 | A114 K120 E130 Y131 | A114-I128 HydrophobicContact CB-CD1 4.44Å; A114-I128 HydrophobicContact CB-CG1 4.33Å; A114-I128 HydrophobicContact CB-CG2 3.91Å; K120-I128 HydrophobicContact CG-CD1 4.43Å; K120-I128 HydrophobicContact CG-CG1 4.32Å; I128-E130 PolarHBondContact O-N 3.1Å; I128-Y131 HydrophobicContact CG1-CE1 4.43Å; I128-Y131 WeakPolarHBondContact O-CB 3.35Å; I128-Y131 PolarHBondContact O-N 2.94Å |
| 129 | A | 91.3 | Very high | 91.6 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 84% | 0.843 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -61.8 | -22.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P127 | P127-A129 PolarHBondContact O-N 3.45Å; P127-A129 VanDerWaalsContact O-N 3.17Å |
| 130 | E | 93.3 | Very high | 91.6 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -104.8 | 12.2 | -178.4 | -61.8 | -172 | -132 | 0 | 0 | 113 | P127 I128 E132 N133 K136 Y137 | P127-E130 HydrophobicContact CG-CB 4.01Å; P127-E130 HydrophobicContact CG-CG 3.83Å; P127-E130 PolarHBondContact O-N 3.46Å; I128-E130 PolarHBondContact O-N 3.1Å; E130-E132 PolarHBondContact O-N 3.33Å; E130-E132 VanDerWaalsContact O-N 3.16Å; E130-N133 WeakPolarHBondContact O-CB 3.38Å; E130-N133 PolarHBondContact O-N 3.38Å; E130-K136 IonicContact OE1-NZ 2.89Å; E130-K136 PolarHBondContact OE1-NZ 3.3Å; E130-K136 VanDerWaalsContact OE2-CD 3.29Å; E130-K136 WeakPolarHBondContact OE2-CD 3.48Å; E130-K136 WeakPolarHBondContact OE2-CE 3.49Å; E130-K136 IonicContact OE2-NZ 3.73Å; E130-K136 PolarHBondContact OE2-NZ 2.88Å; E130-Y137 HydrophobicContact CB-CD2 4.11Å; E130-Y137 HydrophobicContact CB-CE2 3.78Å; E130-Y137 WeakPolarHBondContact OE2-CE2 3.4Å |
| 131 | Y | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.6 | -177.6 | -88.7 | 27.2 | 0 | 0 | 0 | 114.2 | R107 L110 A114 K120 L121 C122 V126 P127 I128 | R107-Y131 PolarHBondContact NH1-O 3.41Å; L110-Y131 HydrophobicContact CD2-CD2 4.37Å; L110-Y131 HydrophobicContact CG-CD2 3.92Å; L110-Y131 HydrophobicContact CG-CE2 4.33Å; A114-Y131 HydrophobicContact CB-CD2 3.79Å; A114-Y131 HydrophobicContact CB-CE2 3.53Å; K120-Y131 VanDerWaalsContact CA-OH 3.25Å; K120-Y131 WeakPolarHBondContact CA-OH 3.5Å; K120-Y131 WeakPolarHBondContact CB-OH 3.39Å; L121-Y131 PolarHBondContact N-OH 2.87Å; L121-Y131 VanDerWaalsContact N-OH 3.1Å; C122-Y131 HydrophobicContact CB-CD1 4.46Å; C122-Y131 HydrophobicContact CB-CE1 3.71Å; C122-Y131 HydrophobicContact CB-CE2 4.33Å; C122-Y131 PolarHBondContact N-OH 3.49Å; C122-Y131 VanDerWaalsContact N-OH 3.09Å; V126-Y131 HydrophobicContact CB-CE1 4.13Å; V126-Y131 HydrophobicContact CG1-CD1 3.76Å; V126-Y131 HydrophobicContact CG1-CE1 3.71Å; P127-Y131 VanDerWaalsContact O-CD1 3.24Å; P127-Y131 WeakPolarHBondContact O-CD1 3.29Å; I128-Y131 HydrophobicContact CG1-CE1 4.43Å; I128-Y131 WeakPolarHBondContact O-CB 3.35Å; I128-Y131 PolarHBondContact O-N 2.94Å |
| 132 | E | 92.5 | Very high | 91 | Very high | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -13.1 | 176 | -60.1 | -171.2 | 163.1 | 0 | 0 | 113.2 | T108 A111 E130 E134 | T108-E132 WeakPolarHBondContact CA-OE1 3.31Å; T108-E132 WeakPolarHBondContact CG2-OE1 3.35Å; A111-E132 HydrophobicContact CB-CG 3.81Å; E130-E132 PolarHBondContact O-N 3.33Å; E130-E132 VanDerWaalsContact O-N 3.16Å; E132-E134 VanDerWaalsContact C-N 3.35Å; E132-E134 PolarHBondContact O-N 2.88Å |
| 133 | N | 92.3 | Very high | 90.6 | Very high | 63 Ų | 63 | 63.5 Ų | 63.5 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | trans | -81.3 | 78.8 | -179.3 | -169.7 | -15.3 | 0 | 0 | 0 | 111.3 | E130 Q135 K136 Y137 | E130-N133 WeakPolarHBondContact O-CB 3.38Å; E130-N133 PolarHBondContact O-N 3.38Å; N133-Q135 PolarHBondContact O-N 3.13Å; N133-Q135 PolarHBondContact OD1-N 3.36Å; N133-K136 HydrophobicContact CB-CB 4.46Å; N133-K136 PolarHBondContact O-N 2.92Å; N133-K136 PolarHBondContact OD1-N 3.24Å; N133-K136 VanDerWaalsContact OD1-N 3.07Å; N133-Y137 PolarHBondContact O-N 2.81Å | ||
| 134 | E | 89.2 | Confident | 90.6 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.7 | 178.7 | -70.4 | -170.6 | 178.8 | 0 | 0 | 113.6 | R107 E132 Y137 P138 | R107-E134 HydrophobicContact CG-CG 3.73Å; R107-E134 WeakPolarHBondContact CG-OE1 3.47Å; E132-E134 VanDerWaalsContact C-N 3.35Å; E132-E134 PolarHBondContact O-N 2.88Å; E134-Y137 CarbonylContact O-C 3.42Å; E134-P138 WeakPolarHBondContact O-CA 2.91Å |
| 135 | Q | 89.7 | Confident | 90.9 | Very high | 192 Ų | 192 | 63.2 Ų | 63.2 | 90% | 0.897 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -43.5 | 178.5 | -69.2 | -177.8 | -7.4 | 0 | 0 | 111.6 | N133 | N133-Q135 PolarHBondContact O-N 3.13Å; N133-Q135 PolarHBondContact OD1-N 3.36Å |
| 136 | K | 90.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -34.9 | 178.5 | -170.1 | 176.4 | 172.6 | -167.4 | 0 | 112.4 | E130 N133 | E130-K136 IonicContact OE1-NZ 2.89Å; E130-K136 PolarHBondContact OE1-NZ 3.3Å; E130-K136 VanDerWaalsContact OE2-CD 3.29Å; E130-K136 WeakPolarHBondContact OE2-CD 3.48Å; E130-K136 WeakPolarHBondContact OE2-CE 3.49Å; E130-K136 IonicContact OE2-NZ 3.73Å; E130-K136 PolarHBondContact OE2-NZ 2.88Å; N133-K136 HydrophobicContact CB-CB 4.46Å; N133-K136 PolarHBondContact O-N 2.92Å; N133-K136 PolarHBondContact OD1-N 3.24Å; N133-K136 VanDerWaalsContact OD1-N 3.07Å |
| 137 | Y | 92.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -128.9 | 83 | -176.1 | -61.5 | -63.1 | 0 | 0 | 0 | 111.2 | R107 H125 V126 E130 N133 E134 T144 | R107-Y137 PolarHBondContact NH2-O 2.71Å; H125-Y137 AromaticContact NE2-CE1 3.93Å; V126-Y137 HydrophobicContact CB-CD1 4.46Å; V126-Y137 HydrophobicContact CB-CE1 4.49Å; V126-Y137 HydrophobicContact CG1-CD1 4.14Å; V126-Y137 HydrophobicContact CG1-CD2 3.74Å; V126-Y137 HydrophobicContact CG1-CE1 4.35Å; V126-Y137 HydrophobicContact CG1-CE2 3.98Å; V126-Y137 HydrophobicContact CG1-CG 3.81Å; V126-Y137 HydrophobicContact CG2-CD1 3.64Å; V126-Y137 HydrophobicContact CG2-CE1 3.85Å; V126-Y137 HydrophobicContact CG2-CG 4.1Å; E130-Y137 HydrophobicContact CB-CD2 4.11Å; E130-Y137 HydrophobicContact CB-CE2 3.78Å; E130-Y137 WeakPolarHBondContact OE2-CE2 3.4Å; N133-Y137 PolarHBondContact O-N 2.81Å; E134-Y137 CarbonylContact O-C 3.42Å; Y137-T144 WeakPolarHBondContact CA-OG1 3.26Å; Y137-T144 VanDerWaalsContact CB-OG1 3.31Å; Y137-T144 WeakPolarHBondContact CB-OG1 3.3Å; Y137-T144 HydrophobicContact CD1-CG2 4.19Å |
| 138 | P | 92 | Very high | 91.2 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | trans | -70.9 | 146.1 | -173.2 | 27.2 | -35 | 0 | 0 | 0 | 113.5 | E134 A140 C145 | E134-P138 WeakPolarHBondContact O-CA 2.91Å; P138-A140 PolarHBondContact O-N 3.01Å; P138-C145 PolarHBondContact O-N 3.13Å | ||
| 139 | S | 92.2 | Very high | 91.2 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 109.9 | 169.8 | -80.6 | 0 | 0 | 0 | 0 | 110.2 | R107 C145 P146 | R107-S139 VanDerWaalsContact CZ-OG 3.23Å; R107-S139 PolarHBondContact NE-OG 3.41Å; R107-S139 VanDerWaalsContact NH2-N 3.17Å; R107-S139 PolarHBondContact NH2-OG 3.37Å; S139-C145 WeakPolarHBondContact CA-O 3.36Å; S139-P146 VanDerWaalsContact CB-O 3.25Å; S139-P146 WeakPolarHBondContact CB-O 3.42Å; S139-P146 PolarHBondContact OG-O 3.5Å |
| 140 | A | 91.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | trans | -151.1 | 163.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P138 N142 G143 C145 | P138-A140 PolarHBondContact O-N 3.01Å; A140-N142 PolarHBondContact O-N 2.98Å; A140-G143 PolarHBondContact O-N 3.42Å; A140-C145 PolarHBondContact N-O 3.34Å | ||
| 141 | V | 86.9 | Confident | 90.9 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -38.1 | 179 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | K90 S91 L92 V147 | K90-V141 VanDerWaalsContact C-CG1 3.47Å; K90-V141 HydrophobicContact CB-CG1 3.89Å; S91-V141 CarbonylContact C-O 3.51Å; S91-V141 VanDerWaalsContact CA-CG1 3.45Å; S91-V141 WeakPolarHBondContact CA-O 3.27Å; L92-V141 PolarHBondContact N-O 3.13Å; V141-V147 HydrophobicContact CG2-CG2 4.42Å |
| 142 | N | 85.7 | Confident | 90.7 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 60% | 0.599 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 20.2 | 171 | -68.8 | -18.5 | 0 | 0 | 0 | 112.2 | K90 A140 | K90-N142 PolarHBondContact O-OD1 3.21Å; A140-N142 PolarHBondContact O-N 2.98Å |
| 143 | G | 85.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -78 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A140 C145 | A140-G143 PolarHBondContact O-N 3.42Å; G143-C145 PolarHBondContact O-N 2.98Å |
| 144 | T | 91.6 | Very high | 90.2 | Very high | 27 Ų | 27 | 60.7 Ų | 60.7 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -75.2 | -15.4 | 175.9 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | C122 D123 Y137 | C122-T144 WeakPolarHBondContact CB-O 3.43Å; D123-T144 WeakPolarHBondContact CB-O 3.37Å; D123-T144 PolarHBondContact N-O 3.4Å; Y137-T144 WeakPolarHBondContact CA-OG1 3.26Å; Y137-T144 VanDerWaalsContact CB-OG1 3.31Å; Y137-T144 WeakPolarHBondContact CB-OG1 3.3Å; Y137-T144 HydrophobicContact CD1-CG2 4.19Å |
| 145 | C | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -141.2 | 157.8 | -178.9 | -76.4 | 0 | 0 | 0 | 0 | 111.8 | M83 R107 C122 P138 S139 A140 G143 | M83-C145 VanDerWaalsContact SD-C 3.56Å; R107-C145 VanDerWaalsContact NH1-CB 3.34Å; R107-C145 PolarHBondContact NH1-SG 2.95Å; C122-C145 HydrophobicContact CB-CB 4.09Å; C122-C145 WeakPolarHBondContact CB-SG 3.4Å; C122-C145 WeakPolarHBondContact SG-CB 3.18Å; C122-C145 CovalentContact SG-SG 2.04Å; C122-C145 PolarHBondContact SG-SG 3.23Å; P138-C145 PolarHBondContact O-N 3.13Å; S139-C145 WeakPolarHBondContact CA-O 3.36Å; A140-C145 PolarHBondContact N-O 3.34Å; G143-C145 PolarHBondContact O-N 2.98Å |
| 146 | P | 94.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 151.4 | -175.1 | 25.6 | -34.9 | 0 | 0 | 0 | 113.7 | F81 M83 L110 S139 I150 | F81-P146 HydrophobicContact CE1-CB 3.87Å; F81-P146 HydrophobicContact CE1-CG 4.07Å; F81-P146 HydrophobicContact CZ-CB 3.91Å; F81-P146 HydrophobicContact CZ-CG 4.18Å; M83-P146 CarbonylContact O-C 3.55Å; M83-P146 WeakPolarHBondContact O-CA 3.44Å; M83-P146 WeakPolarHBondContact O-CB 3.26Å; M83-P146 HydrophobicContact SD-CB 4.19Å; L110-P146 HydrophobicContact CD2-CG 3.98Å; S139-P146 VanDerWaalsContact CB-O 3.25Å; S139-P146 WeakPolarHBondContact CB-O 3.42Å; S139-P146 PolarHBondContact OG-O 3.5Å; P146-I150 HydrophobicContact CB-CD1 3.97Å; P146-I150 HydrophobicContact CB-CG1 4.07Å; P146-I150 HydrophobicContact CG-CD1 3.43Å; P146-I150 VanDerWaalsContact CG-CD1 3.43Å; P146-I150 HydrophobicContact CG-CG1 4.08Å |
| 147 | V | 92.8 | Very high | 89 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 132.3 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | M83 V141 | M83-V147 PolarHBondContact O-N 3.01Å; V141-V147 HydrophobicContact CG2-CG2 4.42Å |
| 148 | M | 91.3 | Very high | 88.7 | Confident | 45 Ų | 45 | 56 Ų | 56 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -85.9 | 150.9 | -179.9 | -51.7 | -49 | -102.1 | 0 | 0 | 111.3 | I104 Q105 N106 L110 I150 | I104-M148 HydrophobicContact CB-CE 4.48Å; I104-M148 HydrophobicContact CG2-CE 3.71Å; Q105-M148 WeakPolarHBondContact O-CB 3.28Å; N106-M148 WeakPolarHBondContact O-CE 3.26Å; L110-M148 HydrophobicContact CB-CE 3.96Å; L110-M148 HydrophobicContact CD2-CE 4.4Å; M148-I150 HydrophobicContact CE-CD1 4.17Å; M148-I150 HydrophobicContact CE-CG1 4.33Å; M148-I150 HydrophobicContact SD-CD1 3.93Å; M148-I150 HydrophobicContact SD-CG1 3.75Å |
| 149 | P | 90.8 | Very high | 88.4 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | cis | -80 | 144.6 | -5.3 | 33.5 | -35.5 | 0 | 0 | 0 | 112.9 | I104 Q105 L151 | I104-P149 CarbonylContact O-C 3.52Å; I104-P149 WeakPolarHBondContact O-CA 3.44Å; Q105-P149 VanDerWaalsContact OE1-CB 3.25Å; P149-L151 PolarHBondContact O-N 3.29Å |
| 150 | I | 90.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -84.1 | 111.6 | 172.3 | -52.9 | 170.2 | 0 | 0 | 0 | 107.4 | F81 F85 P100 T103 I104 L110 P146 M148 | F81-I150 HydrophobicContact CE2-CG2 3.82Å; F81-I150 HydrophobicContact CZ-CD1 4.45Å; F81-I150 HydrophobicContact CZ-CG2 3.9Å; F85-I150 HydrophobicContact CD2-CG2 4.45Å; F85-I150 HydrophobicContact CE2-CG2 3.69Å; P100-I150 HydrophobicContact CB-CG2 4.18Å; P100-I150 HydrophobicContact CG-CG2 3.85Å; T103-I150 CarbonylContact C-O 3.57Å; T103-I150 VanDerWaalsContact CA-O 3.32Å; T103-I150 WeakPolarHBondContact CA-O 3.17Å; I104-I150 HydrophobicContact CB-CB 4.08Å; I104-I150 HydrophobicContact CB-CD1 4.35Å; I104-I150 HydrophobicContact CD1-CD1 4.23Å; I104-I150 PolarHBondContact N-O 2.92Å; I104-I150 PolarHBondContact O-N 2.84Å; L110-I150 HydrophobicContact CD1-CD1 3.57Å; L110-I150 HydrophobicContact CD2-CD1 4.21Å; L110-I150 HydrophobicContact CG-CD1 4.4Å; P146-I150 HydrophobicContact CB-CD1 3.97Å; P146-I150 HydrophobicContact CB-CG1 4.07Å; P146-I150 HydrophobicContact CG-CD1 3.43Å; P146-I150 VanDerWaalsContact CG-CD1 3.43Å; P146-I150 HydrophobicContact CG-CG1 4.08Å; M148-I150 HydrophobicContact CE-CD1 4.17Å; M148-I150 HydrophobicContact CE-CG1 4.33Å; M148-I150 HydrophobicContact SD-CD1 3.93Å; M148-I150 HydrophobicContact SD-CG1 3.75Å |
| 151 | L | 88.3 | Confident | 88 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | trans | -74.3 | 142.4 | -176.9 | -61.4 | 177.3 | 0 | 0 | 0 | 111.8 | F85 T103 P149 S153 P162 | F85-L151 HydrophobicContact CD2-CB 4.33Å; T103-L151 HydrophobicContact CG2-CD2 4.22Å; P149-L151 PolarHBondContact O-N 3.29Å; L151-S153 PolarHBondContact O-N 2.76Å; L151-S153 PolarHBondContact O-OG 3.36Å; L151-P162 HydrophobicContact CB-CB 3.67Å; L151-P162 HydrophobicContact CD1-CB 3.88Å; L151-P162 HydrophobicContact CD1-CG 4.44Å; L151-P162 HydrophobicContact CG-CB 4.44Å | ||
| 152 | K | 88.6 | Confident | 87.8 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | trans | -50.6 | 126.1 | 167.4 | 175.1 | 173.2 | -176.9 | 149.3 | 0 | 110.4 | N101 T103 P162 R163 | N101-K152 WeakPolarHBondContact O-CD 3.42Å; N101-K152 WeakPolarHBondContact O-CE 3.42Å; N101-K152 WeakPolarHBondContact O-CG 3.31Å; N101-K152 PolarHBondContact O-NZ 3.18Å; T103-K152 PolarHBondContact OG1-N 3.42Å; K152-P162 WeakPolarHBondContact O-CA 3.48Å; K152-R163 PolarHBondContact O-N 2.85Å | ||
| 153 | S | 88 | Confident | 87 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.2 | -171.9 | -63.9 | 0 | 0 | 0 | 0 | 112 | F85 P100 L151 S161 P162 | F85-S153 WeakPolarHBondContact CZ-OG 3.28Å; P100-S153 PolarHBondContact O-N 3.07Å; L151-S153 PolarHBondContact O-N 2.76Å; L151-S153 PolarHBondContact O-OG 3.36Å; S153-S161 CarbonylContact C-O 3.47Å; S153-S161 WeakPolarHBondContact CA-O 3.46Å; S153-S161 WeakPolarHBondContact CB-O 3.48Å; S153-P162 WeakPolarHBondContact OG-CA 3.25Å |
| 154 | K | 85.7 | Confident | 85.9 | Confident | 157 Ų | 157 | 65.7 Ų | 65.7 | 68% | 0.683 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.5 | 168.5 | -75.2 | -169.2 | 174.6 | -171.9 | 0 | 109.7 | I156 S161 | K154-I156 PolarHBondContact O-N 3.27Å; K154-S161 PolarHBondContact N-O 2.9Å; K154-S161 PolarHBondContact O-N 3.37Å |
| 155 | P | 85.7 | Confident | 83.9 | Confident | 68 Ų | 68 | 69 Ų | 69 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119.9 | 171.6 | 29 | -32.7 | 0 | 0 | 0 | 109.9 | Y79 R159 | Y79-P155 HydrophobicContact CD1-CB 3.66Å; Y79-P155 HydrophobicContact CE1-CB 3.38Å; Y79-P155 HydrophobicContact CE1-CG 4.12Å; P155-R159 WeakPolarHBondContact CA-O 3.31Å |
| 156 | I | 80.2 | Confident | 81.7 | Confident | 99 Ų | 99 | 78 Ų | 78 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.2 | 169.3 | -57.5 | 178.9 | 0 | 0 | 0 | 106.8 | K154 N158 R159 | K154-I156 PolarHBondContact O-N 3.27Å; I156-N158 VanDerWaalsContact C-N 3.31Å; I156-N158 PolarHBondContact O-N 3.43Å; I156-R159 PolarHBondContact N-O 3.23Å; I156-R159 WeakPolarHBondContact O-CB 2.92Å; I156-R159 PolarHBondContact O-N 3.24Å |
| 157 | L | 79.1 | Confident | 79.3 | Confident | 135 Ų | 135 | 85.4 Ų | 85.4 | 71% | 0.707 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 51.1 | -176.1 | -62.5 | 173.7 | 0 | 0 | 0 | 112.6 | R159 | L157-R159 PolarHBondContact O-N 3.06Å; L157-R159 VanDerWaalsContact O-N 3.11Å |
| 158 | N | 86.6 | Confident | 76.8 | Confident | 38 Ų | 38 | 92.1 Ų | 92.1 | 20% | 0.203 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 21.4 | -177.6 | -58.5 | -41.5 | 0 | 0 | 0 | 115.2 | H51 Y79 M80 I156 | H51-N158 PolarHBondContact CD2-ND2 3.45Å; H51-N158 PolarHBondContact NE2-ND2 2.82Å; H51-N158 PolarHBondContact O-ND2 3.04Å; Y79-N158 CarbonylContact C-O 3.5Å; Y79-N158 VanDerWaalsContact CA-O 3.31Å; Y79-N158 WeakPolarHBondContact CA-O 3.36Å; M80-N158 PolarHBondContact N-O 2.86Å; I156-N158 VanDerWaalsContact C-N 3.31Å; I156-N158 PolarHBondContact O-N 3.43Å |
| 159 | R | 86.4 | Confident | 74.1 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.5 | 175.5 | -63.9 | 169.2 | -176.9 | -99.6 | -5.2 | 110.1 | M80 P155 I156 L157 S161 | M80-R159 HydrophobicContact CB-CG 4.22Å; M80-R159 HydrophobicContact CE-CG 4.03Å; M80-R159 VanDerWaalsContact CE-NH2 3.33Å; P155-R159 WeakPolarHBondContact CA-O 3.31Å; I156-R159 PolarHBondContact N-O 3.23Å; I156-R159 WeakPolarHBondContact O-CB 2.92Å; I156-R159 PolarHBondContact O-N 3.24Å; L157-R159 PolarHBondContact O-N 3.06Å; L157-R159 VanDerWaalsContact O-N 3.11Å; R159-S161 PolarHBondContact O-N 3.48Å |
| 160 | C | 89.5 | Confident | 71.2 | Confident | 4 Ų | 4 | 101.3 Ų | 101.3 | 3% | 0.027 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 110 | 172.4 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | M80 F81 F85 C99 | M80-C160 PolarHBondContact O-N 3.38Å; F81-C160 HydrophobicContact CD2-CB 4.34Å; F85-C160 WeakPolarHBondContact CE1-O 3.47Å; C99-C160 WeakPolarHBondContact CA-SG 3.48Å; C99-C160 HydrophobicContact CB-CB 3.81Å; C99-C160 WeakPolarHBondContact CB-SG 3.26Å; C99-C160 WeakPolarHBondContact SG-CA 3.18Å; C99-C160 WeakPolarHBondContact SG-CB 3.26Å; C99-C160 CovalentContact SG-SG 2.04Å; C99-C160 PolarHBondContact SG-SG 2.86Å |
| 161 | S | 85.8 | Confident | 68.4 | Low | 48 Ų | 48 | 111.7 Ų | 111.7 | 34% | 0.336 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.5 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | S153 K154 R159 | S153-S161 CarbonylContact C-O 3.47Å; S153-S161 WeakPolarHBondContact CA-O 3.46Å; S153-S161 WeakPolarHBondContact CB-O 3.48Å; K154-S161 PolarHBondContact N-O 2.9Å; K154-S161 PolarHBondContact O-N 3.37Å; R159-S161 PolarHBondContact O-N 3.48Å |
| 162 | P | 81.1 | Confident | 65.6 | Low | 30 Ų | 30 | 117.4 Ų | 117.4 | 20% | 0.195 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 148.4 | 179.3 | 31.6 | -34.9 | 0 | 0 | 0 | 110.8 | F85 L151 K152 S153 I164 | F85-P162 HydrophobicContact CB-CG 4.4Å; F85-P162 HydrophobicContact CD1-CB 4.33Å; F85-P162 HydrophobicContact CD1-CG 3.75Å; F85-P162 HydrophobicContact CE1-CG 4.28Å; F85-P162 HydrophobicContact CG-CG 4.17Å; L151-P162 HydrophobicContact CB-CB 3.67Å; L151-P162 HydrophobicContact CD1-CB 3.88Å; L151-P162 HydrophobicContact CD1-CG 4.44Å; L151-P162 HydrophobicContact CG-CB 4.44Å; K152-P162 WeakPolarHBondContact O-CA 3.48Å; S153-P162 WeakPolarHBondContact OG-CA 3.25Å; P162-I164 PolarHBondContact O-N 2.91Å |
| 163 | R | 69.5 | Low | 62.6 | Low | 198 Ų | 198 | 115.8 Ų | 115.8 | 75% | 0.747 | 56% | 0.56 | S | S | * | * | trans | -76.8 | 110 | 165.8 | -172.8 | 179.2 | -172 | 176.1 | 4.8 | 107.7 | K152 P165 | K152-R163 PolarHBondContact O-N 2.85Å; R163-P165 VanDerWaalsContact O-CD 3.32Å; R163-P165 WeakPolarHBondContact O-CD 3.47Å | ||
| 164 | I | 62.4 | Low | 59.7 | Low | 140 Ų | 140 | 123.3 Ų | 123.3 | 72% | 0.718 | 60% | 0.598 | S | S | * | * | trans | -66.7 | 119.7 | 170.6 | -54.1 | 172.4 | 0 | 0 | 0 | 106.6 | P162 K166 | P162-I164 PolarHBondContact O-N 2.91Å; I164-K166 PolarHBondContact O-N 3.12Å | ||
| 165 | P | 51.6 | Low | 57 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | trans | -57.9 | 133.6 | 173.5 | -17.9 | 29.8 | 0 | 0 | 0 | 108.6 | R163 I167 | R163-P165 VanDerWaalsContact O-CD 3.32Å; R163-P165 WeakPolarHBondContact O-CD 3.47Å; P165-I167 PolarHBondContact O-N 3.49Å | ||
| 166 | K | 47 | Very low | 54.4 | Low | 191 Ų | 191 | 123.3 Ų | 123.3 | 83% | 0.83 | 61% | 0.613 | S | S | * | * | trans | -56.3 | 111 | 168 | -71.9 | -179 | 177 | -178.5 | 0 | 106.9 | I164 K168 | I164-K166 PolarHBondContact O-N 3.12Å; K166-K168 PolarHBondContact O-N 2.89Å | ||
| 167 | I | 44.6 | Very low | 52 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 80% | 0.795 | 63% | 0.63 | S | S | * | * | trans | -61.5 | 129.4 | 164 | -60 | 173 | 0 | 0 | 0 | 104.8 | P165 N169 | P165-I167 PolarHBondContact O-N 3.49Å; I167-N169 PolarHBondContact O-N 3.39Å | ||
| 168 | K | 40.7 | Very low | 49.8 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -56.3 | -14.6 | -164.6 | -92 | -179.6 | 172.6 | -179.1 | 0 | 115.5 | K166 | K166-K168 PolarHBondContact O-N 2.89Š|
| 169 | N | 33.9 | Very low | 47.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | trans | -131.8 | 97.7 | -175.9 | -63.5 | -13.8 | 0 | 0 | 0 | 110.5 | I167 | I167-N169 PolarHBondContact O-N 3.39Š| ||
| 170 | E | 30.3 | Very low | 45.5 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | trans | -178 | 100.3 | 143.1 | -102.1 | 174.3 | -148.4 | 0 | 0 | 108.9 | ||||
| 171 | Y | 30.8 | Very low | 43.3 | Very low | 218 Ų | 218 | 142 Ų | 142 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | trans | -96.3 | 136.7 | 169.3 | -72.4 | -97.5 | 0 | 0 | 0 | 108.4 | ||||
| 172 | Y | 29.6 | Very low | 41.5 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | trans | -123.5 | 101.7 | 156.3 | -63.6 | -82.8 | 0 | 0 | 0 | 108 | ||||
| 173 | A | 26.5 | Very low | 39.6 | Very low | 77 Ų | 77 | 149.7 Ų | 149.7 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -130.5 | 104.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 174 | L | 26.8 | Very low | 38.6 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -70.1 | 146.7 | 172.8 | -81.7 | 153.9 | 0 | 0 | 0 | 110.1 | ||||
| 175 | P | 30.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -75.6 | 132.3 | -168.3 | -7.8 | 24.7 | 0 | 0 | 0 | 111.9 | ||||
| 176 | T | 29.5 | Very low | 37.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | trans | -84.4 | 109.5 | 173.1 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | F517 | T176-F517 HydrophobicContact CG2-CE2 3.78Š| ||
| 177 | L | 30.2 | Very low | 37.3 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | -83 | 136.9 | 167 | -86.1 | 160.8 | 0 | 0 | 0 | 110.3 | ||||
| 178 | K | 34.3 | Very low | 37.3 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | trans | -82.2 | 127.8 | -178.7 | -159.1 | -179.8 | -176.2 | -170.2 | 0 | 108.9 | ||||
| 179 | Y | 41.8 | Very low | 37.3 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 62% | 0.624 | 65% | 0.648 | S | S | * | * | trans | -138 | 105.5 | 171.4 | -156.2 | -96 | 0 | 0 | 0 | 110.8 | N185 | Y179-N185 PolarHBondContact OH-ND2 3.07Š| ||
| 180 | E | 38.9 | Very low | 37.8 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | trans | -90.8 | 142.9 | 166.5 | -71.2 | 174.4 | -166.6 | 0 | 0 | 108.2 | ||||
| 181 | N | 43.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 67% | 0.674 | 64% | 0.638 | S | S | * | * | trans | 90.2 | 35.1 | 178.7 | -54.5 | -20.3 | 0 | 0 | 0 | 118.9 | L183 | N181-L183 PolarHBondContact O-N 3.4Š| ||
| 182 | Y | 48.7 | Very low | 39.3 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 39% | 0.388 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.1 | -39.1 | -178.6 | -166.2 | -104.4 | 0 | 0 | 0 | 115.9 | M186 I510 | Y182-M186 HydrophobicContact CD1-CG 4.22Å; Y182-M186 HydrophobicContact CD1-SD 4.01Å; Y182-M186 HydrophobicContact CE1-CG 3.94Å; Y182-M186 HydrophobicContact CE1-SD 3.49Å; Y182-M186 WeakPolarHBondContact CE1-SD 3.41Å; Y182-M186 WeakPolarHBondContact O-CG 3.37Å; Y182-M186 PolarHBondContact O-N 3.12Å; Y182-I510 WeakPolarHBondContact OH-CG2 3.44Å |
| 183 | L | 41.6 | Very low | 40.2 | Very low | 142 Ų | 142 | 109.2 Ų | 109.2 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.4 | -34.3 | -170.8 | -131.2 | 91.6 | 0 | 0 | 0 | 113.5 | N181 M186 | N181-L183 PolarHBondContact O-N 3.4Å; L183-M186 PolarHBondContact O-N 3.35Å |
| 184 | A | 48.8 | Very low | 41.6 | Very low | 67 Ų | 67 | 108 Ų | 108 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.2 | -38.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C187 Q188 | A184-C187 PolarHBondContact O-N 2.83Å; A184-Q188 PolarHBondContact O-N 2.77Å |
| 185 | N | 44.9 | Very low | 42.5 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 30% | 0.299 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.3 | -36.1 | 177 | -65.3 | -16.2 | 0 | 0 | 0 | 112.1 | Y179 C187 Q188 D189 | Y179-N185 PolarHBondContact OH-ND2 3.07Å; N185-C187 VanDerWaalsContact C-N 3.33Å; N185-C187 PolarHBondContact O-N 3.33Å; N185-Q188 PolarHBondContact O-N 3.07Å; N185-Q188 VanDerWaalsContact O-N 3.14Å; N185-D189 WeakPolarHBondContact O-CB 3.41Å; N185-D189 PolarHBondContact O-N 2.9Å |
| 186 | M | 45.8 | Very low | 43.4 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.6 | -76.7 | -163.7 | 89.7 | 0 | 0 | 113.5 | Y182 L183 L190 | Y182-M186 HydrophobicContact CD1-CG 4.22Å; Y182-M186 HydrophobicContact CD1-SD 4.01Å; Y182-M186 HydrophobicContact CE1-CG 3.94Å; Y182-M186 HydrophobicContact CE1-SD 3.49Å; Y182-M186 WeakPolarHBondContact CE1-SD 3.41Å; Y182-M186 WeakPolarHBondContact O-CG 3.37Å; Y182-M186 PolarHBondContact O-N 3.12Å; L183-M186 PolarHBondContact O-N 3.35Å; M186-L190 PolarHBondContact O-N 2.74Å |
| 187 | C | 41.3 | Very low | 44.7 | Very low | 93 Ų | 93 | 97 Ų | 97 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.2 | -33.6 | 178 | -74.7 | 0 | 0 | 0 | 0 | 112 | A184 N185 | A184-C187 PolarHBondContact O-N 2.83Å; N185-C187 VanDerWaalsContact C-N 3.33Å; N185-C187 PolarHBondContact O-N 3.33Å |
| 188 | Q | 45.8 | Very low | 46.1 | Very low | 122 Ų | 122 | 94.9 Ų | 94.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.8 | -34.9 | 177 | -164.7 | 153.8 | -12.7 | 0 | 0 | 112 | A184 N185 L190 S191 N192 | A184-Q188 PolarHBondContact O-N 2.77Å; N185-Q188 PolarHBondContact O-N 3.07Å; N185-Q188 VanDerWaalsContact O-N 3.14Å; Q188-L190 VanDerWaalsContact C-N 3.35Å; Q188-L190 PolarHBondContact O-N 3.23Å; Q188-S191 PolarHBondContact O-N 2.72Å; Q188-N192 PolarHBondContact O-N 3.37Å; Q188-N192 VanDerWaalsContact O-N 3.15Å |
| 189 | D | 40.8 | Very low | 47.3 | Very low | 82 Ų | 82 | 91.7 Ų | 91.7 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 173.8 | -70.9 | -24.1 | 0 | 0 | 0 | 112.7 | N185 S191 N192 T193 | N185-D189 WeakPolarHBondContact O-CB 3.41Å; N185-D189 PolarHBondContact O-N 2.9Å; D189-S191 VanDerWaalsContact C-N 3.25Å; D189-S191 PolarHBondContact O-N 3.07Å; D189-N192 PolarHBondContact O-N 3.17Å; D189-T193 PolarHBondContact O-OG1 2.7Å; D189-T193 VanDerWaalsContact O-OG1 3.13Å |
| 190 | L | 43.8 | Very low | 48.3 | Very low | 121 Ų | 121 | 89 Ų | 89 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.9 | -26.9 | 175.4 | -172.3 | 64.8 | 0 | 0 | 0 | 113 | M186 Q188 T193 | M186-L190 PolarHBondContact O-N 2.74Å; Q188-L190 VanDerWaalsContact C-N 3.35Å; Q188-L190 PolarHBondContact O-N 3.23Å; L190-T193 PolarHBondContact O-OG1 3.32Å |
| 191 | S | 50.3 | Low | 49.4 | Very low | 92 Ų | 92 | 82.9 Ų | 82.9 | 64% | 0.643 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -83 | -41.1 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | Q188 D189 T193 | Q188-S191 PolarHBondContact O-N 2.72Å; D189-S191 VanDerWaalsContact C-N 3.25Å; D189-S191 PolarHBondContact O-N 3.07Å; S191-T193 VanDerWaalsContact C-N 3.34Å; S191-T193 PolarHBondContact O-N 2.68Å |
| 192 | N | 41.8 | Very low | 50.6 | Low | 65 Ų | 65 | 80.2 Ų | 80.2 | 35% | 0.348 | 43% | 0.429 | S | S | . | . | trans | -96 | 30.3 | -167.1 | -73.3 | -6 | 0 | 0 | 0 | 113.4 | Q188 D189 S194 T195 F196 | Q188-N192 PolarHBondContact O-N 3.37Å; Q188-N192 VanDerWaalsContact O-N 3.15Å; D189-N192 PolarHBondContact O-N 3.17Å; N192-S194 PolarHBondContact O-N 3.13Å; N192-T195 CarbonylContact O-C 3.57Å; N192-T195 VanDerWaalsContact O-C 3.32Å; N192-T195 VanDerWaalsContact O-CA 3.26Å; N192-T195 WeakPolarHBondContact O-CA 3.43Å; N192-T195 WeakPolarHBondContact O-CB 3.26Å; N192-T195 PolarHBondContact O-N 3.03Å; N192-T195 PolarHBondContact O-OG1 3.31Å; N192-F196 WeakPolarHBondContact O-CB 3.48Å; N192-F196 PolarHBondContact O-N 3.27Å | ||
| 193 | T | 49.9 | Very low | 51.5 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 18% | 0.184 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | -166.2 | -41.7 | 0 | 0 | 0 | 0 | 114.2 | D189 L190 S191 T195 F196 I197 Y503 | D189-T193 PolarHBondContact O-OG1 2.7Å; D189-T193 VanDerWaalsContact O-OG1 3.13Å; L190-T193 PolarHBondContact O-OG1 3.32Å; S191-T193 VanDerWaalsContact C-N 3.34Å; S191-T193 PolarHBondContact O-N 2.68Å; T193-T195 VanDerWaalsContact C-N 3.3Å; T193-F196 PolarHBondContact O-N 3.25Å; T193-I197 WeakPolarHBondContact O-CG1 3.3Å; T193-I197 PolarHBondContact O-N 2.96Å; T193-Y503 HydrophobicContact CG2-CE1 3.31Å; T193-Y503 WeakPolarHBondContact CG2-OH 3.49Å |
| 194 | S | 54.1 | Low | 52.8 | Low | 53 Ų | 53 | 72.3 Ų | 72.3 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 167 | 54 | 0 | 0 | 0 | 0 | 110.9 | N192 F196 F198 | N192-S194 PolarHBondContact O-N 3.13Å; S194-F196 VanDerWaalsContact C-N 3.34Å; S194-F198 WeakPolarHBondContact O-CB 3.21Å; S194-F198 PolarHBondContact O-N 3.14Å |
| 195 | T | 47.5 | Very low | 53.9 | Low | 48 Ų | 48 | 73 Ų | 73 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 175 | -21 | 0 | 0 | 0 | 0 | 112 | N192 T193 F198 F199 | N192-T195 CarbonylContact O-C 3.57Å; N192-T195 VanDerWaalsContact O-C 3.32Å; N192-T195 VanDerWaalsContact O-CA 3.26Å; N192-T195 WeakPolarHBondContact O-CA 3.43Å; N192-T195 WeakPolarHBondContact O-CB 3.26Å; N192-T195 PolarHBondContact O-N 3.03Å; N192-T195 PolarHBondContact O-OG1 3.31Å; T193-T195 VanDerWaalsContact C-N 3.3Å; T195-F198 CarbonylContact O-C 3.32Å; T195-F198 WeakPolarHBondContact O-CB 3.35Å; T195-F198 PolarHBondContact O-N 2.95Å; T195-F199 HydrophobicContact CG2-CD2 3.95Å; T195-F199 HydrophobicContact CG2-CE2 3.38Å; T195-F199 HydrophobicContact CG2-CZ 4.09Å; T195-F199 WeakPolarHBondContact O-CB 3.36Å; T195-F199 WeakPolarHBondContact O-CD2 3.08Å; T195-F199 VanDerWaalsContact O-CG 3.31Å; T195-F199 WeakPolarHBondContact O-CG 3.37Å; T195-F199 PolarHBondContact O-N 3.46Å |
| 196 | F | 47.1 | Very low | 55.2 | Low | 77 Ų | 77 | 73.7 Ų | 73.7 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -75.3 | -38.2 | -179.2 | -172.5 | -95.5 | 0 | 0 | 0 | 111.8 | N192 T193 S194 F198 F199 M200 | N192-F196 WeakPolarHBondContact O-CB 3.48Å; N192-F196 PolarHBondContact O-N 3.27Å; T193-F196 PolarHBondContact O-N 3.25Å; S194-F196 VanDerWaalsContact C-N 3.34Å; F196-F198 VanDerWaalsContact C-N 3.3Å; F196-F199 CarbonylContact O-C 3.56Å; F196-F199 PolarHBondContact O-N 3.27Å; F196-M200 HydrophobicContact CD1-CG 3.97Å; F196-M200 HydrophobicContact CE1-CE 3.43Å; F196-M200 VanDerWaalsContact CE1-CE 3.43Å; F196-M200 HydrophobicContact CE1-CG 3.68Å; F196-M200 HydrophobicContact CE1-SD 4.41Å; F196-M200 HydrophobicContact CZ-CE 3.51Å; F196-M200 HydrophobicContact CZ-CG 4.19Å; F196-M200 VanDerWaalsContact O-CB 3.31Å; F196-M200 WeakPolarHBondContact O-CB 3.39Å; F196-M200 WeakPolarHBondContact O-CG 3.12Å; F196-M200 PolarHBondContact O-N 3.43Å |
| 197 | I | 58.4 | Low | 56.3 | Low | 35 Ų | 35 | 74.7 Ų | 74.7 | 18% | 0.179 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 169.8 | -60.1 | 169.1 | 0 | 0 | 0 | 109.6 | T193 F199 M200 T201 T261 L499 | T193-I197 WeakPolarHBondContact O-CG1 3.3Å; T193-I197 PolarHBondContact O-N 2.96Å; I197-F199 VanDerWaalsContact C-N 3.35Å; I197-F199 PolarHBondContact O-N 3.46Å; I197-M200 PolarHBondContact O-N 2.91Å; I197-T201 WeakPolarHBondContact O-CB 3.15Å; I197-T201 WeakPolarHBondContact O-CG2 3.18Å; I197-T201 PolarHBondContact O-N 3.37Å; I197-T201 PolarHBondContact O-OG1 2.87Å; I197-T261 HydrophobicContact CB-CG2 4.46Å; I197-T261 HydrophobicContact CG2-CG2 3.41Å; I197-T261 VanDerWaalsContact CG2-CG2 3.41Å; I197-T261 VanDerWaalsContact CG2-OG1 3.26Å; I197-T261 WeakPolarHBondContact CG2-OG1 3.34Å; I197-L499 HydrophobicContact CD1-CD1 4.04Å |
| 198 | F | 59.4 | Low | 57.9 | Low | 118 Ų | 118 | 71.1 Ų | 71.1 | 52% | 0.518 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 170.1 | 177.8 | -96.1 | 0 | 0 | 0 | 112.3 | S194 T195 F196 T201 L202 | S194-F198 WeakPolarHBondContact O-CB 3.21Å; S194-F198 PolarHBondContact O-N 3.14Å; T195-F198 CarbonylContact O-C 3.32Å; T195-F198 WeakPolarHBondContact O-CB 3.35Å; T195-F198 PolarHBondContact O-N 2.95Å; F196-F198 VanDerWaalsContact C-N 3.3Å; F198-T201 VanDerWaalsContact C-OG1 3.32Å; F198-T201 VanDerWaalsContact CA-OG1 3.28Å; F198-T201 WeakPolarHBondContact CA-OG1 3.48Å; F198-T201 PolarHBondContact O-OG1 3.28Å; F198-L202 HydrophobicContact CE1-CD2 4.36Å; F198-L202 WeakPolarHBondContact O-CB 3.2Å; F198-L202 PolarHBondContact O-N 3.02Å |
| 199 | F | 58.9 | Low | 59.2 | Low | 112 Ų | 112 | 69.7 Ų | 69.7 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -75.7 | -29.8 | 177.2 | -75.3 | -57.3 | 0 | 0 | 0 | 113.5 | T195 F196 I197 L202 S203 | T195-F199 HydrophobicContact CG2-CD2 3.95Å; T195-F199 HydrophobicContact CG2-CE2 3.38Å; T195-F199 HydrophobicContact CG2-CZ 4.09Å; T195-F199 WeakPolarHBondContact O-CB 3.36Å; T195-F199 WeakPolarHBondContact O-CD2 3.08Å; T195-F199 VanDerWaalsContact O-CG 3.31Å; T195-F199 WeakPolarHBondContact O-CG 3.37Å; T195-F199 PolarHBondContact O-N 3.46Å; F196-F199 CarbonylContact O-C 3.56Å; F196-F199 PolarHBondContact O-N 3.27Å; I197-F199 VanDerWaalsContact C-N 3.35Å; I197-F199 PolarHBondContact O-N 3.46Å; F199-L202 HydrophobicContact CD1-CD2 4.06Å; F199-L202 HydrophobicContact CE1-CD2 4.37Å; F199-S203 WeakPolarHBondContact O-CA 3.18Å; F199-S203 WeakPolarHBondContact O-CB 3.47Å; F199-S203 PolarHBondContact O-N 3.06Å; F199-S203 PolarHBondContact O-OG 2.9Å |
| 200 | M | 62.8 | Low | 60.6 | Low | 103 Ų | 103 | 68.8 Ų | 68.8 | 51% | 0.507 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | 172.5 | -84.1 | -81.5 | -163.1 | 0 | 0 | 111.1 | F196 I197 S203 G204 | F196-M200 HydrophobicContact CD1-CG 3.97Å; F196-M200 HydrophobicContact CE1-CE 3.43Å; F196-M200 VanDerWaalsContact CE1-CE 3.43Å; F196-M200 HydrophobicContact CE1-CG 3.68Å; F196-M200 HydrophobicContact CE1-SD 4.41Å; F196-M200 HydrophobicContact CZ-CE 3.51Å; F196-M200 HydrophobicContact CZ-CG 4.19Å; F196-M200 VanDerWaalsContact O-CB 3.31Å; F196-M200 WeakPolarHBondContact O-CB 3.39Å; F196-M200 WeakPolarHBondContact O-CG 3.12Å; F196-M200 PolarHBondContact O-N 3.43Å; I197-M200 PolarHBondContact O-N 2.91Å; M200-S203 WeakPolarHBondContact CA-OG 3.3Å; M200-S203 PolarHBondContact O-OG 3.16Å; M200-S203 VanDerWaalsContact O-OG 3.07Å; M200-G204 PolarHBondContact O-N 3.34Å |
| 201 | T | 61.9 | Low | 61.7 | Low | 14 Ų | 14 | 65 Ų | 65 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 171.7 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | I197 F198 G204 L205 V257 C258 | I197-T201 WeakPolarHBondContact O-CB 3.15Å; I197-T201 WeakPolarHBondContact O-CG2 3.18Å; I197-T201 PolarHBondContact O-N 3.37Å; I197-T201 PolarHBondContact O-OG1 2.87Å; F198-T201 VanDerWaalsContact C-OG1 3.32Å; F198-T201 VanDerWaalsContact CA-OG1 3.28Å; F198-T201 WeakPolarHBondContact CA-OG1 3.48Å; F198-T201 PolarHBondContact O-OG1 3.28Å; T201-G204 PolarHBondContact O-N 3.06Å; T201-L205 WeakPolarHBondContact O-CB 3.42Å; T201-L205 PolarHBondContact O-N 3.01Å; T201-V257 HydrophobicContact CG2-CG1 3.87Å; T201-C258 VanDerWaalsContact CB-SG 3.57Å; T201-C258 HydrophobicContact CG2-CB 4.49Å |
| 202 | L | 68.2 | Low | 62.6 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174 | -172.4 | 67 | 0 | 0 | 0 | 112.2 | F198 F199 L205 V206 | F198-L202 HydrophobicContact CE1-CD2 4.36Å; F198-L202 WeakPolarHBondContact O-CB 3.2Å; F198-L202 PolarHBondContact O-N 3.02Å; F199-L202 HydrophobicContact CD1-CD2 4.06Å; F199-L202 HydrophobicContact CE1-CD2 4.37Å; L202-L205 CarbonylContact O-C 3.56Å; L202-L205 WeakPolarHBondContact O-CA 3.4Å; L202-L205 VanDerWaalsContact O-CB 3.27Å; L202-L205 WeakPolarHBondContact O-CB 3.42Å; L202-L205 PolarHBondContact O-N 3.44Å; L202-V206 HydrophobicContact CG-CG2 4.4Å; L202-V206 WeakPolarHBondContact O-CB 3.47Å; L202-V206 VanDerWaalsContact O-CG2 3.22Å; L202-V206 WeakPolarHBondContact O-CG2 3Å; L202-V206 PolarHBondContact O-N 2.92Å |
| 203 | S | 68.3 | Low | 64 | Low | 57 Ų | 57 | 66 Ų | 66 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 177.5 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | F199 M200 L205 V206 M207 | F199-S203 WeakPolarHBondContact O-CA 3.18Å; F199-S203 WeakPolarHBondContact O-CB 3.47Å; F199-S203 PolarHBondContact O-N 3.06Å; F199-S203 PolarHBondContact O-OG 2.9Å; M200-S203 WeakPolarHBondContact CA-OG 3.3Å; M200-S203 PolarHBondContact O-OG 3.16Å; M200-S203 VanDerWaalsContact O-OG 3.07Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-V206 PolarHBondContact O-N 2.87Å; S203-M207 VanDerWaalsContact O-CB 3.28Å; S203-M207 WeakPolarHBondContact O-CB 3.49Å; S203-M207 VanDerWaalsContact O-CG 3.26Å; S203-M207 WeakPolarHBondContact O-CG 3.28Å; S203-M207 PolarHBondContact O-N 3.36Å |
| 204 | G | 68.9 | Low | 64.6 | Low | 17 Ų | 17 | 67.4 Ų | 67.4 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M200 T201 T208 | M200-G204 PolarHBondContact O-N 3.34Å; T201-G204 PolarHBondContact O-N 3.06Å; G204-T208 VanDerWaalsContact O-CB 3.25Å; G204-T208 WeakPolarHBondContact O-CB 3.32Å; G204-T208 PolarHBondContact O-N 3.34Å; G204-T208 PolarHBondContact O-OG1 3.46Å |
| 205 | L | 71.8 | Confident | 65 | Low | 81 Ų | 81 | 66.3 Ų | 66.3 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 173.2 | -118.2 | 159.4 | 0 | 0 | 0 | 111.4 | T201 L202 S203 T208 I209 T254 | T201-L205 WeakPolarHBondContact O-CB 3.42Å; T201-L205 PolarHBondContact O-N 3.01Å; L202-L205 CarbonylContact O-C 3.56Å; L202-L205 WeakPolarHBondContact O-CA 3.4Å; L202-L205 VanDerWaalsContact O-CB 3.27Å; L202-L205 WeakPolarHBondContact O-CB 3.42Å; L202-L205 PolarHBondContact O-N 3.44Å; S203-L205 VanDerWaalsContact C-N 3.31Å; L205-T208 CarbonylContact O-C 3.58Å; L205-T208 WeakPolarHBondContact O-CB 3.43Å; L205-T208 PolarHBondContact O-N 3.35Å; L205-I209 HydrophobicContact CD2-CD1 4.09Å; L205-I209 WeakPolarHBondContact O-CB 3.45Å; L205-I209 WeakPolarHBondContact O-CD1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.22Å; L205-I209 PolarHBondContact O-N 3.44Å; L205-T254 HydrophobicContact CG-CG2 4.47Å |
| 206 | V | 71.6 | Confident | 65.6 | Low | 71 Ų | 71 | 69.9 Ų | 69.9 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 178.3 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | L202 S203 T208 I209 V210 | L202-V206 HydrophobicContact CG-CG2 4.4Å; L202-V206 WeakPolarHBondContact O-CB 3.47Å; L202-V206 VanDerWaalsContact O-CG2 3.22Å; L202-V206 WeakPolarHBondContact O-CG2 3Å; L202-V206 PolarHBondContact O-N 2.92Å; S203-V206 PolarHBondContact O-N 2.87Å; V206-T208 VanDerWaalsContact C-N 3.33Å; V206-T208 PolarHBondContact O-N 3.27Å; V206-I209 CarbonylContact O-C 3.59Å; V206-I209 WeakPolarHBondContact O-CB 3.19Å; V206-I209 PolarHBondContact O-N 2.9Å; V206-V210 HydrophobicContact CG1-CG2 4.32Å; V206-V210 WeakPolarHBondContact O-CB 3.47Å; V206-V210 VanDerWaalsContact O-CG2 3.23Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 2.84Å |
| 207 | M | 70.5 | Confident | 66.2 | Low | 107 Ų | 107 | 71.7 Ų | 71.7 | 53% | 0.527 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -37 | 174.6 | -74.6 | -59.8 | -61 | 0 | 0 | 111.9 | S203 V210 L211 | S203-M207 VanDerWaalsContact O-CB 3.28Å; S203-M207 WeakPolarHBondContact O-CB 3.49Å; S203-M207 VanDerWaalsContact O-CG 3.26Å; S203-M207 WeakPolarHBondContact O-CG 3.28Å; S203-M207 PolarHBondContact O-N 3.36Å; M207-V210 PolarHBondContact O-N 3.48Å; M207-L211 WeakPolarHBondContact O-CB 3.41Å; M207-L211 VanDerWaalsContact O-CG 3.26Å; M207-L211 WeakPolarHBondContact O-CG 3.46Å; M207-L211 PolarHBondContact O-N 2.9Å |
| 208 | T | 73.6 | Confident | 66 | Low | 18 Ų | 18 | 74.7 Ų | 74.7 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 171.8 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | G204 L205 V206 L211 W212 T251 | G204-T208 VanDerWaalsContact O-CB 3.25Å; G204-T208 WeakPolarHBondContact O-CB 3.32Å; G204-T208 PolarHBondContact O-N 3.34Å; G204-T208 PolarHBondContact O-OG1 3.46Å; L205-T208 CarbonylContact O-C 3.58Å; L205-T208 WeakPolarHBondContact O-CB 3.43Å; L205-T208 PolarHBondContact O-N 3.35Å; V206-T208 VanDerWaalsContact C-N 3.33Å; V206-T208 PolarHBondContact O-N 3.27Å; T208-L211 PolarHBondContact O-N 3.15Å; T208-W212 WeakPolarHBondContact O-CB 3.49Å; T208-W212 VanDerWaalsContact O-CD1 3.23Å; T208-W212 PolarHBondContact O-N 3.36Å; T208-T251 HydrophobicContact CG2-CG2 3.29Å |
| 209 | I | 72.7 | Confident | 65.6 | Low | 91 Ų | 91 | 73.1 Ų | 73.1 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175 | -69 | 161 | 0 | 0 | 0 | 110 | L205 V206 L211 W212 V213 | L205-I209 HydrophobicContact CD2-CD1 4.09Å; L205-I209 WeakPolarHBondContact O-CB 3.45Å; L205-I209 WeakPolarHBondContact O-CD1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.22Å; L205-I209 PolarHBondContact O-N 3.44Å; V206-I209 CarbonylContact O-C 3.59Å; V206-I209 WeakPolarHBondContact O-CB 3.19Å; V206-I209 PolarHBondContact O-N 2.9Å; I209-L211 PolarHBondContact O-N 3.32Å; I209-W212 CarbonylContact O-C 3.48Å; I209-W212 PolarHBondContact O-N 2.94Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 VanDerWaalsContact O-CB 3.31Å; I209-V213 WeakPolarHBondContact O-CB 3.42Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.46Å |
| 210 | V | 70.2 | Confident | 65.1 | Low | 63 Ų | 63 | 74.8 Ų | 74.8 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.2 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | V206 M207 V213 C214 | V206-V210 HydrophobicContact CG1-CG2 4.32Å; V206-V210 WeakPolarHBondContact O-CB 3.47Å; V206-V210 VanDerWaalsContact O-CG2 3.23Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 2.84Å; M207-V210 PolarHBondContact O-N 3.48Å; V210-V213 CarbonylContact O-C 3.58Å; V210-V213 PolarHBondContact O-N 2.8Å; V210-C214 WeakPolarHBondContact O-CB 3.27Å; V210-C214 PolarHBondContact O-N 3.32Å; V210-C214 PolarHBondContact O-SG 2.96Å |
| 211 | L | 67.9 | Low | 64.3 | Low | 42 Ų | 42 | 75.7 Ų | 75.7 | 22% | 0.22 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 176 | -72.7 | 171.8 | 0 | 0 | 0 | 111.8 | M207 T208 I209 S215 A247 F250 | M207-L211 WeakPolarHBondContact O-CB 3.41Å; M207-L211 VanDerWaalsContact O-CG 3.26Å; M207-L211 WeakPolarHBondContact O-CG 3.46Å; M207-L211 PolarHBondContact O-N 2.9Å; T208-L211 PolarHBondContact O-N 3.15Å; I209-L211 PolarHBondContact O-N 3.32Å; L211-S215 WeakPolarHBondContact O-CB 3.27Å; L211-S215 PolarHBondContact O-N 3.06Å; L211-A247 HydrophobicContact CB-CB 4.22Å; L211-F250 HydrophobicContact CD1-CB 4.37Å; L211-F250 HydrophobicContact CD1-CD2 4.05Å; L211-F250 HydrophobicContact CD1-CG 4.39Å |
| 212 | W | 69.1 | Low | 63.2 | Low | 119 Ų | 119 | 82.9 Ų | 82.9 | 45% | 0.451 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 172.1 | -86.5 | 105.6 | 0 | 0 | 0 | 111.8 | T208 I209 C214 S215 F216 | T208-W212 WeakPolarHBondContact O-CB 3.49Å; T208-W212 VanDerWaalsContact O-CD1 3.23Å; T208-W212 PolarHBondContact O-N 3.36Å; I209-W212 CarbonylContact O-C 3.48Å; I209-W212 PolarHBondContact O-N 2.94Å; W212-C214 VanDerWaalsContact C-N 3.35Å; W212-C214 PolarHBondContact O-N 3.18Å; W212-S215 CarbonylContact O-C 3.28Å; W212-S215 WeakPolarHBondContact O-CA 3.13Å; W212-S215 VanDerWaalsContact O-CB 3.27Å; W212-S215 WeakPolarHBondContact O-CB 3.36Å; W212-S215 PolarHBondContact O-N 3.02Å; W212-S215 VanDerWaalsContact O-N 3.08Å; W212-F216 HydrophobicContact CB-CD2 4.47Å; W212-F216 HydrophobicContact CD2-CE2 4.42Å; W212-F216 AromaticContact CE3-CD2 3.99Å; W212-F216 HydrophobicContact CE3-CD2 3.99Å; W212-F216 AromaticContact CE3-CE2 3.44Å; W212-F216 HydrophobicContact CE3-CE2 3.44Å; W212-F216 VanDerWaalsContact CE3-CE2 3.44Å; W212-F216 HydrophobicContact CE3-CZ 4.28Å; W212-F216 AromaticContact CZ3-CE2 3.92Å; W212-F216 HydrophobicContact CZ3-CE2 3.92Å; W212-F216 HydrophobicContact CZ3-CZ 4.33Å; W212-F216 WeakPolarHBondContact O-CB 3.32Å; W212-F216 WeakPolarHBondContact O-CD2 3.41Å; W212-F216 PolarHBondContact O-N 3.23Å |
| 213 | V | 71.3 | Confident | 62 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.2 | 169 | 0 | 0 | 0 | 0 | 110.4 | I209 V210 S215 F216 Q217 | I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 VanDerWaalsContact O-CB 3.31Å; I209-V213 WeakPolarHBondContact O-CB 3.42Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.46Å; V210-V213 CarbonylContact O-C 3.58Å; V210-V213 PolarHBondContact O-N 2.8Å; V213-S215 VanDerWaalsContact C-N 3.33Å; V213-F216 CarbonylContact O-C 3.31Å; V213-F216 PolarHBondContact O-N 2.87Å; V213-Q217 HydrophobicContact CG1-CG 4Å; V213-Q217 VanDerWaalsContact O-CB 3.24Å; V213-Q217 WeakPolarHBondContact O-CB 3.47Å; V213-Q217 VanDerWaalsContact O-CG 3.32Å; V213-Q217 WeakPolarHBondContact O-CG 3.4Å; V213-Q217 PolarHBondContact O-N 2.86Å |
| 214 | C | 62.2 | Low | 60.9 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | 172.2 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | V210 W212 N218 | V210-C214 WeakPolarHBondContact O-CB 3.27Å; V210-C214 PolarHBondContact O-N 3.32Å; V210-C214 PolarHBondContact O-SG 2.96Å; W212-C214 VanDerWaalsContact C-N 3.35Å; W212-C214 PolarHBondContact O-N 3.18Å; C214-N218 WeakPolarHBondContact O-CB 3.46Å; C214-N218 PolarHBondContact O-N 3.5Å; C214-N218 PolarHBondContact O-ND2 2.97Å |
| 215 | S | 62.1 | Low | 59.8 | Low | 30 Ų | 30 | 92.2 Ų | 92.2 | 21% | 0.21 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 172 | -162.8 | 0 | 0 | 0 | 0 | 111.8 | L211 W212 V213 | L211-S215 WeakPolarHBondContact O-CB 3.27Å; L211-S215 PolarHBondContact O-N 3.06Å; W212-S215 CarbonylContact O-C 3.28Å; W212-S215 WeakPolarHBondContact O-CA 3.13Å; W212-S215 VanDerWaalsContact O-CB 3.27Å; W212-S215 WeakPolarHBondContact O-CB 3.36Å; W212-S215 PolarHBondContact O-N 3.02Å; W212-S215 VanDerWaalsContact O-N 3.08Å; V213-S215 VanDerWaalsContact C-N 3.33Å |
| 216 | F | 61.3 | Low | 58.5 | Low | 123 Ų | 123 | 97.1 Ų | 97.1 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.2 | -40.2 | -180 | -84.2 | -69.8 | 0 | 0 | 0 | 113.6 | W212 V213 N218 L219 | W212-F216 HydrophobicContact CB-CD2 4.47Å; W212-F216 HydrophobicContact CD2-CE2 4.42Å; W212-F216 AromaticContact CE3-CD2 3.99Å; W212-F216 HydrophobicContact CE3-CD2 3.99Å; W212-F216 AromaticContact CE3-CE2 3.44Å; W212-F216 HydrophobicContact CE3-CE2 3.44Å; W212-F216 VanDerWaalsContact CE3-CE2 3.44Å; W212-F216 HydrophobicContact CE3-CZ 4.28Å; W212-F216 AromaticContact CZ3-CE2 3.92Å; W212-F216 HydrophobicContact CZ3-CE2 3.92Å; W212-F216 HydrophobicContact CZ3-CZ 4.33Å; W212-F216 WeakPolarHBondContact O-CB 3.32Å; W212-F216 WeakPolarHBondContact O-CD2 3.41Å; W212-F216 PolarHBondContact O-N 3.23Å; V213-F216 CarbonylContact O-C 3.31Å; V213-F216 PolarHBondContact O-N 2.87Å; F216-N218 PolarHBondContact O-N 3.45Å; F216-L219 HydrophobicContact CD1-CD1 3.7Å; F216-L219 HydrophobicContact CE1-CD1 4.28Å; F216-L219 WeakPolarHBondContact O-CA 3.33Å; F216-L219 VanDerWaalsContact O-CB 3.23Å; F216-L219 WeakPolarHBondContact O-CB 3.48Å; F216-L219 PolarHBondContact O-N 3.47Å |
| 217 | Q | 59.9 | Low | 57.3 | Low | 116 Ų | 116 | 99.1 Ų | 99.1 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -28.7 | 174.2 | -77.8 | 177.3 | -26.9 | 0 | 0 | 111.3 | V213 L219 E220 H221 | V213-Q217 HydrophobicContact CG1-CG 4Å; V213-Q217 VanDerWaalsContact O-CB 3.24Å; V213-Q217 WeakPolarHBondContact O-CB 3.47Å; V213-Q217 VanDerWaalsContact O-CG 3.32Å; V213-Q217 WeakPolarHBondContact O-CG 3.4Å; V213-Q217 PolarHBondContact O-N 2.86Å; Q217-L219 PolarHBondContact O-N 2.99Å; Q217-E220 PolarHBondContact O-N 2.86Å; Q217-H221 PolarHBondContact O-N 3.44Å; Q217-H221 VanDerWaalsContact O-N 3.09Å |
| 218 | N | 53 | Low | 56.1 | Low | 97 Ų | 97 | 100.2 Ų | 100.2 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.9 | -8.9 | 167.5 | -92.2 | -26.7 | 0 | 0 | 0 | 113.9 | C214 F216 W222 | C214-N218 WeakPolarHBondContact O-CB 3.46Å; C214-N218 PolarHBondContact O-N 3.5Å; C214-N218 PolarHBondContact O-ND2 2.97Å; F216-N218 PolarHBondContact O-N 3.45Å; N218-W222 WeakPolarHBondContact O-CB 3.48Å |
| 219 | L | 50.9 | Low | 54.6 | Low | 85 Ų | 85 | 106.5 Ų | 106.5 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.3 | -42.4 | 166.4 | -83.2 | 127.7 | 0 | 0 | 0 | 111.7 | F216 Q217 | F216-L219 HydrophobicContact CD1-CD1 3.7Å; F216-L219 HydrophobicContact CE1-CD1 4.28Å; F216-L219 WeakPolarHBondContact O-CA 3.33Å; F216-L219 VanDerWaalsContact O-CB 3.23Å; F216-L219 WeakPolarHBondContact O-CB 3.48Å; F216-L219 PolarHBondContact O-N 3.47Å; Q217-L219 PolarHBondContact O-N 2.99Å |
| 220 | E | 48.3 | Very low | 53.2 | Low | 147 Ų | 147 | 108.1 Ų | 108.1 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -79.6 | -42.1 | -176.7 | -68.3 | -168.9 | 168.6 | 0 | 0 | 112.7 | Q217 W222 Q223 | Q217-E220 PolarHBondContact O-N 2.86Å; E220-W222 VanDerWaalsContact C-N 3.25Å; E220-W222 PolarHBondContact O-N 3.13Å; E220-Q223 PolarHBondContact O-N 3.32Å |
| 221 | H | 45.6 | Very low | 52.1 | Low | 123 Ų | 123 | 108.7 Ų | 108.7 | 57% | 0.569 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.8 | -23.3 | 178.3 | -111.4 | -76.7 | 0 | 0 | 0 | 113.1 | Q217 I224 S225 | Q217-H221 PolarHBondContact O-N 3.44Å; Q217-H221 VanDerWaalsContact O-N 3.09Å; H221-I224 PolarHBondContact O-N 3.15Å; H221-S225 WeakPolarHBondContact O-CB 3.48Å; H221-S225 PolarHBondContact O-N 3.39Å |
| 222 | W | 40.2 | Very low | 50.8 | Low | 164 Ų | 164 | 114.5 Ų | 114.5 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.4 | -37.5 | 175.5 | -179.2 | -97 | 0 | 0 | 0 | 112.2 | N218 E220 I224 Y226 | N218-W222 WeakPolarHBondContact O-CB 3.48Å; E220-W222 VanDerWaalsContact C-N 3.25Å; E220-W222 PolarHBondContact O-N 3.13Å; W222-I224 VanDerWaalsContact C-N 3.34Å; W222-I224 PolarHBondContact O-N 3.26Å; W222-Y226 HydrophobicContact CH2-CD2 4.39Å; W222-Y226 AromaticContact CZ2-CD2 3.81Å; W222-Y226 HydrophobicContact CZ2-CD2 3.81Å; W222-Y226 HydrophobicContact CZ2-CE2 4.07Å; W222-Y226 WeakPolarHBondContact O-CB 3.41Å; W222-Y226 PolarHBondContact O-N 2.77Å |
| 223 | Q | 42.8 | Very low | 49.5 | Very low | 151 Ų | 151 | 116 Ų | 116 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.6 | -33.4 | 176.6 | -81.4 | 178.7 | -47.8 | 0 | 0 | 112.5 | E220 | E220-Q223 PolarHBondContact O-N 3.32Å |
| 224 | I | 45.9 | Very low | 48.2 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.3 | -40.6 | -178.8 | -57.9 | 174.2 | 0 | 0 | 0 | 111.4 | H221 W222 | H221-I224 PolarHBondContact O-N 3.15Å; W222-I224 VanDerWaalsContact C-N 3.34Å; W222-I224 PolarHBondContact O-N 3.26Å |
| 225 | S | 44.7 | Very low | 47.3 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -81 | -18.5 | -177.3 | -72.2 | 0 | 0 | 0 | 0 | 114.6 | H221 V227 N228 | H221-S225 WeakPolarHBondContact O-CB 3.48Å; H221-S225 PolarHBondContact O-N 3.39Å; S225-V227 PolarHBondContact O-N 3.19Å; S225-N228 PolarHBondContact O-N 3.5Å |
| 226 | Y | 44.1 | Very low | 46.6 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 73% | 0.725 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -23.9 | 175.7 | -160.2 | -94.2 | 0 | 0 | 0 | 112.4 | W222 | W222-Y226 HydrophobicContact CH2-CD2 4.39Å; W222-Y226 AromaticContact CZ2-CD2 3.81Å; W222-Y226 HydrophobicContact CZ2-CD2 3.81Å; W222-Y226 HydrophobicContact CZ2-CE2 4.07Å; W222-Y226 WeakPolarHBondContact O-CB 3.41Å; W222-Y226 PolarHBondContact O-N 2.77Å |
| 227 | V | 47.5 | Very low | 45.7 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -29.4 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | S225 | S225-V227 PolarHBondContact O-N 3.19Š|
| 228 | N | 44.4 | Very low | 45.3 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -134.5 | 55.5 | -165.8 | -78.1 | -10.9 | 0 | 0 | 0 | 113.9 | S225 | S225-N228 PolarHBondContact O-N 3.5Š|
| 229 | M | 42.1 | Very low | 45.3 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | trans | -160 | 58.7 | 159 | -152.8 | 70.2 | 81.5 | 0 | 0 | 113.5 | S231 | M229-S231 PolarHBondContact O-N 2.85Å; M229-S231 VanDerWaalsContact O-N 3.13Å | ||
| 230 | S | 44.4 | Very low | 45.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 68% | 0.683 | S | S | * | * | trans | -80.2 | 65.7 | 163.1 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 231 | S | 45.2 | Very low | 46.6 | Very low | 75 Ų | 75 | 126 Ų | 126 | 52% | 0.524 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -165.2 | 115 | 166.8 | 56 | 0 | 0 | 0 | 0 | 113 | M229 | M229-S231 PolarHBondContact O-N 2.85Å; M229-S231 VanDerWaalsContact O-N 3.13Å |
| 232 | L | 40.8 | Very low | 47.5 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | trans | 43 | 84.6 | 137.8 | -70.5 | 147.3 | 0 | 0 | 0 | 116.7 | ||||
| 233 | N | 42.8 | Very low | 48.9 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 80% | 0.802 | 65% | 0.647 | S | S | * | * | -174.4 | 139.6 | 129.6 | -90.5 | -28.6 | 0 | 0 | 0 | 108.5 | T235 | N233-T235 PolarHBondContact O-N 3.42Š| |||
| 234 | A | 43.9 | Very low | 50.3 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 88% | 0.884 | 63% | 0.634 | S | S | * | * | trans | -60.6 | 84.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I236 | A234-I236 PolarHBondContact O-N 3.05Š| ||
| 235 | T | 42.5 | Very low | 51.7 | Low | 112 Ų | 112 | 118.7 Ų | 118.7 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | trans | -61.9 | 131 | 165.9 | 26.9 | 0 | 0 | 0 | 0 | 106.2 | N233 T237 | N233-T235 PolarHBondContact O-N 3.42Å; T235-T237 PolarHBondContact O-N 3.04Å | ||
| 236 | I | 48.6 | Very low | 52.9 | Low | 132 Ų | 132 | 116.7 Ų | 116.7 | 68% | 0.677 | 62% | 0.622 | S | S | * | * | trans | -55.7 | 98 | 163.4 | -64.6 | 166.1 | 0 | 0 | 0 | 104.8 | A234 Y238 | A234-I236 PolarHBondContact O-N 3.05Å; I236-Y238 HydrophobicContact CB-CE2 4.31Å; I236-Y238 HydrophobicContact CG2-CD2 3.94Å; I236-Y238 HydrophobicContact CG2-CE2 3.75Å; I236-Y238 HydrophobicContact CG2-CG 4.45Å; I236-Y238 PolarHBondContact O-N 3.46Å | ||
| 237 | T | 42.7 | Very low | 54.5 | Low | 121 Ų | 121 | 108.3 Ų | 108.3 | 74% | 0.742 | 59% | 0.591 | S | S | * | * | trans | -69.7 | 90.1 | 172.3 | 50.8 | 0 | 0 | 0 | 0 | 105 | T235 D239 | T235-T237 PolarHBondContact O-N 3.04Å; T237-D239 PolarHBondContact O-N 3.34Å | ||
| 238 | Y | 50.5 | Low | 56.2 | Low | 173 Ų | 173 | 106.4 Ų | 106.4 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | trans | -57.8 | 109 | 161.4 | -75 | -86.5 | 0 | 0 | 0 | 105.6 | I236 R240 | I236-Y238 HydrophobicContact CB-CE2 4.31Å; I236-Y238 HydrophobicContact CG2-CD2 3.94Å; I236-Y238 HydrophobicContact CG2-CE2 3.75Å; I236-Y238 HydrophobicContact CG2-CG 4.45Å; I236-Y238 PolarHBondContact O-N 3.46Å; Y238-R240 PolarHBondContact O-N 3.41Å; Y238-R240 VanDerWaalsContact O-N 3.12Å | ||
| 239 | D | 52.8 | Low | 57.7 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | trans | -61.9 | 122.5 | 177.4 | -160.4 | -17.7 | 0 | 0 | 0 | 106.8 | T237 S241 D242 I243 | T237-D239 PolarHBondContact O-N 3.34Å; D239-S241 PolarHBondContact O-N 2.98Å; D239-S241 PolarHBondContact OD1-N 2.87Å; D239-S241 PolarHBondContact OD1-OG 3.38Å; D239-S241 PolarHBondContact OD2-OG 2.8Å; D239-D242 WeakPolarHBondContact O-CB 3.24Å; D239-D242 PolarHBondContact O-N 3.41Å; D239-I243 PolarHBondContact O-N 2.75Å | ||
| 240 | R | 58.5 | Low | 59.5 | Low | 157 Ų | 157 | 101.6 Ų | 101.6 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -53.1 | -30 | 180 | -178.2 | 180 | 178.8 | 170.8 | 1.8 | 110.4 | Y238 M244 | Y238-R240 PolarHBondContact O-N 3.41Å; Y238-R240 VanDerWaalsContact O-N 3.12Å; R240-M244 WeakPolarHBondContact O-CB 3.41Å; R240-M244 PolarHBondContact O-N 3.32Å |
| 241 | S | 68.6 | Low | 61.3 | Low | 32 Ų | 32 | 97 Ų | 97 | 22% | 0.224 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | D239 M244 Y245 | D239-S241 PolarHBondContact O-N 2.98Å; D239-S241 PolarHBondContact OD1-N 2.87Å; D239-S241 PolarHBondContact OD1-OG 3.38Å; D239-S241 PolarHBondContact OD2-OG 2.8Å; S241-M244 WeakPolarHBondContact O-CB 3.44Å; S241-M244 PolarHBondContact O-N 3.36Å; S241-Y245 WeakPolarHBondContact O-CD2 3.45Å; S241-Y245 VanDerWaalsContact O-CG 3.28Å; S241-Y245 PolarHBondContact O-N 3.3Å |
| 242 | D | 65.3 | Low | 63.2 | Low | 107 Ų | 107 | 98.3 Ų | 98.3 | 57% | 0.572 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | -176.5 | -69.4 | -14.1 | 0 | 0 | 0 | 111.5 | D239 M244 Y245 G246 | D239-D242 WeakPolarHBondContact O-CB 3.24Å; D239-D242 PolarHBondContact O-N 3.41Å; D242-M244 VanDerWaalsContact C-N 3.33Å; D242-Y245 PolarHBondContact O-N 3.31Å; D242-G246 PolarHBondContact O-N 3.45Å |
| 243 | I | 69.4 | Low | 65.2 | Low | 60 Ų | 60 | 96.6 Ų | 96.6 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.1 | -59.3 | 177.1 | 0 | 0 | 0 | 110 | D239 G246 A247 | D239-I243 PolarHBondContact O-N 2.75Å; I243-G246 PolarHBondContact O-N 3.33Å; I243-A247 WeakPolarHBondContact O-CB 3.42Å; I243-A247 PolarHBondContact O-N 3.19Å |
| 244 | M | 72.6 | Confident | 67.1 | Low | 91 Ų | 91 | 90.1 Ų | 90.1 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 177.4 | -170.4 | -178.4 | 74.8 | 0 | 0 | 111.9 | R240 S241 D242 G246 A247 I248 | R240-M244 WeakPolarHBondContact O-CB 3.41Å; R240-M244 PolarHBondContact O-N 3.32Å; S241-M244 WeakPolarHBondContact O-CB 3.44Å; S241-M244 PolarHBondContact O-N 3.36Å; D242-M244 VanDerWaalsContact C-N 3.33Å; M244-G246 VanDerWaalsContact C-N 3.35Å; M244-A247 PolarHBondContact O-N 3.03Å; M244-I248 HydrophobicContact CG-CD1 4.09Å; M244-I248 VanDerWaalsContact O-CG1 3.28Å; M244-I248 WeakPolarHBondContact O-CG1 3.08Å; M244-I248 PolarHBondContact O-N 3.43Å |
| 245 | Y | 74.1 | Confident | 69.2 | Low | 146 Ų | 146 | 90.2 Ų | 90.2 | 57% | 0.573 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 175.5 | -67.5 | -51.8 | 0 | 0 | 0 | 111.8 | S241 D242 I248 A249 | S241-Y245 WeakPolarHBondContact O-CD2 3.45Å; S241-Y245 VanDerWaalsContact O-CG 3.28Å; S241-Y245 PolarHBondContact O-N 3.3Å; D242-Y245 PolarHBondContact O-N 3.31Å; Y245-I248 PolarHBondContact O-N 3.48Å; Y245-A249 WeakPolarHBondContact O-CB 2.98Å; Y245-A249 PolarHBondContact O-N 2.89Å |
| 246 | G | 71.1 | Confident | 71.1 | Confident | 27 Ų | 27 | 89.8 Ų | 89.8 | 28% | 0.278 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.4 | -51.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D242 I243 M244 I248 A249 F250 | D242-G246 PolarHBondContact O-N 3.45Å; I243-G246 PolarHBondContact O-N 3.33Å; M244-G246 VanDerWaalsContact C-N 3.35Å; G246-I248 PolarHBondContact O-N 2.96Å; G246-A249 PolarHBondContact O-N 2.89Å; G246-F250 WeakPolarHBondContact O-CD2 3.41Å; G246-F250 PolarHBondContact O-N 3.29Å |
| 247 | A | 77.2 | Confident | 72.7 | Confident | 9 Ų | 9 | 85.6 Ų | 85.6 | 7% | 0.074 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L211 I243 M244 F250 T251 | L211-A247 HydrophobicContact CB-CB 4.22Å; I243-A247 WeakPolarHBondContact O-CB 3.42Å; I243-A247 PolarHBondContact O-N 3.19Å; M244-A247 PolarHBondContact O-N 3.03Å; A247-F250 PolarHBondContact O-N 3.47Å; A247-T251 WeakPolarHBondContact O-CG2 3.36Å; A247-T251 PolarHBondContact O-N 3.22Å |
| 248 | I | 83.7 | Confident | 74.7 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.1 | -66.1 | 164.9 | 0 | 0 | 0 | 110.6 | M244 Y245 G246 F250 T251 I252 | M244-I248 HydrophobicContact CG-CD1 4.09Å; M244-I248 VanDerWaalsContact O-CG1 3.28Å; M244-I248 WeakPolarHBondContact O-CG1 3.08Å; M244-I248 PolarHBondContact O-N 3.43Å; Y245-I248 PolarHBondContact O-N 3.48Å; G246-I248 PolarHBondContact O-N 2.96Å; I248-F250 VanDerWaalsContact C-N 3.32Å; I248-F250 PolarHBondContact O-N 3.37Å; I248-T251 PolarHBondContact O-N 2.96Å; I248-T251 PolarHBondContact O-OG1 3.43Å; I248-I252 HydrophobicContact CG2-CD1 3.93Å; I248-I252 WeakPolarHBondContact O-CG1 3.17Å; I248-I252 PolarHBondContact O-N 3.24Å; I248-I252 VanDerWaalsContact O-N 3.08Å |
| 249 | A | 74.3 | Confident | 76.3 | Confident | 60 Ų | 60 | 76.6 Ų | 76.6 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y245 G246 I252 F253 | Y245-A249 WeakPolarHBondContact O-CB 2.98Å; Y245-A249 PolarHBondContact O-N 2.89Å; G246-A249 PolarHBondContact O-N 2.89Å; A249-I252 PolarHBondContact O-N 2.81Å; A249-F253 WeakPolarHBondContact O-CB 3.35Å; A249-F253 PolarHBondContact O-N 3.24Å |
| 250 | F | 80.1 | Confident | 77.5 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 175.9 | -85 | -70 | 0 | 0 | 0 | 112.7 | L211 G246 A247 I248 I252 F253 T254 | L211-F250 HydrophobicContact CD1-CB 4.37Å; L211-F250 HydrophobicContact CD1-CD2 4.05Å; L211-F250 HydrophobicContact CD1-CG 4.39Å; G246-F250 WeakPolarHBondContact O-CD2 3.41Å; G246-F250 PolarHBondContact O-N 3.29Å; A247-F250 PolarHBondContact O-N 3.47Å; I248-F250 VanDerWaalsContact C-N 3.32Å; I248-F250 PolarHBondContact O-N 3.37Å; F250-I252 VanDerWaalsContact C-N 3.34Å; F250-I252 PolarHBondContact O-N 2.8Å; F250-F253 PolarHBondContact O-N 3.16Å; F250-T254 WeakPolarHBondContact O-CB 3.16Å; F250-T254 PolarHBondContact O-N 3.4Å; F250-T254 PolarHBondContact O-OG1 3.45Å; F250-T254 VanDerWaalsContact O-OG1 3.12Å |
| 251 | T | 83.6 | Confident | 78.6 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 17% | 0.172 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.6 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | T208 A247 I248 F253 T254 I255 | T208-T251 HydrophobicContact CG2-CG2 3.29Å; A247-T251 WeakPolarHBondContact O-CG2 3.36Å; A247-T251 PolarHBondContact O-N 3.22Å; I248-T251 PolarHBondContact O-N 2.96Å; I248-T251 PolarHBondContact O-OG1 3.43Å; T251-F253 PolarHBondContact O-N 3.5Å; T251-T254 PolarHBondContact O-N 2.72Å; T251-I255 WeakPolarHBondContact O-CB 3.39Å; T251-I255 VanDerWaalsContact O-CG1 3.24Å; T251-I255 WeakPolarHBondContact O-CG1 3.38Å; T251-I255 PolarHBondContact O-N 3.31Å |
| 252 | I | 84.5 | Confident | 79.4 | Confident | 104 Ų | 104 | 72.9 Ų | 72.9 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.4 | -66 | 168.4 | 0 | 0 | 0 | 110.2 | I248 A249 F250 I255 L256 | I248-I252 HydrophobicContact CG2-CD1 3.93Å; I248-I252 WeakPolarHBondContact O-CG1 3.17Å; I248-I252 PolarHBondContact O-N 3.24Å; I248-I252 VanDerWaalsContact O-N 3.08Å; A249-I252 PolarHBondContact O-N 2.81Å; F250-I252 VanDerWaalsContact C-N 3.34Å; F250-I252 PolarHBondContact O-N 2.8Å; I252-I255 PolarHBondContact O-N 2.98Å; I252-L256 WeakPolarHBondContact O-CB 3.42Å; I252-L256 PolarHBondContact O-N 3.04Å |
| 253 | F | 82.1 | Confident | 80.2 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 55% | 0.553 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 176.7 | 178.5 | -99.5 | 0 | 0 | 0 | 112 | A249 F250 T251 L256 V257 | A249-F253 WeakPolarHBondContact O-CB 3.35Å; A249-F253 PolarHBondContact O-N 3.24Å; F250-F253 PolarHBondContact O-N 3.16Å; T251-F253 PolarHBondContact O-N 3.5Å; F253-L256 PolarHBondContact O-N 3.05Å; F253-V257 HydrophobicContact CD1-CG2 4.28Å; F253-V257 HydrophobicContact CD2-CG2 4.47Å; F253-V257 HydrophobicContact CE1-CG2 3.86Å; F253-V257 HydrophobicContact CE2-CG2 4.07Å; F253-V257 HydrophobicContact CZ-CG2 3.74Å; F253-V257 WeakPolarHBondContact O-CG2 3.28Å; F253-V257 PolarHBondContact O-N 3.04Å |
| 254 | T | 83.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 71.7 Ų | 71.7 | 9% | 0.092 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 111 | L205 F250 T251 L256 V257 C258 | L205-T254 HydrophobicContact CG-CG2 4.47Å; F250-T254 WeakPolarHBondContact O-CB 3.16Å; F250-T254 PolarHBondContact O-N 3.4Å; F250-T254 PolarHBondContact O-OG1 3.45Å; F250-T254 VanDerWaalsContact O-OG1 3.12Å; T251-T254 PolarHBondContact O-N 2.72Å; T254-L256 VanDerWaalsContact C-N 3.29Å; T254-L256 PolarHBondContact O-N 3.4Å; T254-V257 PolarHBondContact O-N 3.16Å; T254-C258 WeakPolarHBondContact O-CB 3.35Å; T254-C258 PolarHBondContact O-N 3.07Å; T254-C258 PolarHBondContact O-SG 3.07Å |
| 255 | I | 88.3 | Confident | 81.4 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 55% | 0.554 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.8 | -43.8 | 175.9 | -69.6 | 165.1 | 0 | 0 | 0 | 110.6 | T251 I252 C258 T259 | T251-I255 WeakPolarHBondContact O-CB 3.39Å; T251-I255 VanDerWaalsContact O-CG1 3.24Å; T251-I255 WeakPolarHBondContact O-CG1 3.38Å; T251-I255 PolarHBondContact O-N 3.31Å; I252-I255 PolarHBondContact O-N 2.98Å; I255-C258 PolarHBondContact O-N 3.34Å; I255-T259 WeakPolarHBondContact O-CB 3.41Å; I255-T259 PolarHBondContact O-N 3.49Å; I255-T259 PolarHBondContact O-OG1 3.22Å |
| 256 | L | 82.6 | Confident | 82 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 178.7 | -175.7 | 140.2 | 0 | 0 | 0 | 111.9 | I252 F253 T254 T259 V260 | I252-L256 WeakPolarHBondContact O-CB 3.42Å; I252-L256 PolarHBondContact O-N 3.04Å; F253-L256 PolarHBondContact O-N 3.05Å; T254-L256 VanDerWaalsContact C-N 3.29Å; T254-L256 PolarHBondContact O-N 3.4Å; L256-T259 PolarHBondContact O-N 3.42Å; L256-V260 HydrophobicContact CD2-CG2 4.49Å; L256-V260 WeakPolarHBondContact O-CB 3.27Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.31Å; L256-V260 PolarHBondContact O-N 3.09Å |
| 257 | V | 80.5 | Confident | 82.8 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | T201 F253 T254 V260 T261 | T201-V257 HydrophobicContact CG2-CG1 3.87Å; F253-V257 HydrophobicContact CD1-CG2 4.28Å; F253-V257 HydrophobicContact CD2-CG2 4.47Å; F253-V257 HydrophobicContact CE1-CG2 3.86Å; F253-V257 HydrophobicContact CE2-CG2 4.07Å; F253-V257 HydrophobicContact CZ-CG2 3.74Å; F253-V257 WeakPolarHBondContact O-CG2 3.28Å; F253-V257 PolarHBondContact O-N 3.04Å; T254-V257 PolarHBondContact O-N 3.16Å; V257-V260 PolarHBondContact O-N 3.43Å; V257-T261 WeakPolarHBondContact O-CB 3.38Å; V257-T261 PolarHBondContact O-N 3.12Å; V257-T261 PolarHBondContact O-OG1 3.11Å |
| 258 | C | 84.5 | Confident | 83.2 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 22% | 0.223 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 174.4 | -70.8 | 0 | 0 | 0 | 0 | 111.1 | T201 T254 I255 V260 T261 V262 | T201-C258 VanDerWaalsContact CB-SG 3.57Å; T201-C258 HydrophobicContact CG2-CB 4.49Å; T254-C258 WeakPolarHBondContact O-CB 3.35Å; T254-C258 PolarHBondContact O-N 3.07Å; T254-C258 PolarHBondContact O-SG 3.07Å; I255-C258 PolarHBondContact O-N 3.34Å; C258-V260 PolarHBondContact O-N 3.17Å; C258-T261 WeakPolarHBondContact O-CB 3.25Å; C258-T261 PolarHBondContact O-N 2.88Å; C258-V262 WeakPolarHBondContact O-CG2 3.26Å; C258-V262 PolarHBondContact O-N 3.48Å |
| 259 | T | 84.3 | Confident | 83.4 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 179 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | I255 L256 T261 V262 L263 | I255-T259 WeakPolarHBondContact O-CB 3.41Å; I255-T259 PolarHBondContact O-N 3.49Å; I255-T259 PolarHBondContact O-OG1 3.22Å; L256-T259 PolarHBondContact O-N 3.42Å; T259-T261 VanDerWaalsContact C-N 3.3Å; T259-T261 PolarHBondContact O-N 2.86Å; T259-V262 PolarHBondContact O-N 3.22Å; T259-L263 HydrophobicContact CG2-CD1 4.07Å; T259-L263 HydrophobicContact CG2-CG 4.4Å; T259-L263 WeakPolarHBondContact O-CB 3.21Å; T259-L263 VanDerWaalsContact O-CG 3.24Å; T259-L263 WeakPolarHBondContact O-CG 3.35Å; T259-L263 PolarHBondContact O-N 3.17Å |
| 260 | V | 79.8 | Confident | 83.9 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L256 V257 C258 L263 M264 | L256-V260 HydrophobicContact CD2-CG2 4.49Å; L256-V260 WeakPolarHBondContact O-CB 3.27Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.31Å; L256-V260 PolarHBondContact O-N 3.09Å; V257-V260 PolarHBondContact O-N 3.43Å; C258-V260 PolarHBondContact O-N 3.17Å; V260-L263 PolarHBondContact O-N 3.39Å; V260-M264 HydrophobicContact CG1-CG 4.31Å; V260-M264 HydrophobicContact CG1-SD 3.66Å; V260-M264 WeakPolarHBondContact O-CB 3.22Å; V260-M264 WeakPolarHBondContact O-CG 3.44Å; V260-M264 PolarHBondContact O-N 3.38Å |
| 261 | T | 80.6 | Confident | 84.3 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | I197 V257 C258 T259 M264 W265 | I197-T261 HydrophobicContact CB-CG2 4.46Å; I197-T261 HydrophobicContact CG2-CG2 3.41Å; I197-T261 VanDerWaalsContact CG2-CG2 3.41Å; I197-T261 VanDerWaalsContact CG2-OG1 3.26Å; I197-T261 WeakPolarHBondContact CG2-OG1 3.34Å; V257-T261 WeakPolarHBondContact O-CB 3.38Å; V257-T261 PolarHBondContact O-N 3.12Å; V257-T261 PolarHBondContact O-OG1 3.11Å; C258-T261 WeakPolarHBondContact O-CB 3.25Å; C258-T261 PolarHBondContact O-N 2.88Å; T259-T261 VanDerWaalsContact C-N 3.3Å; T259-T261 PolarHBondContact O-N 2.86Å; T261-M264 PolarHBondContact O-N 3.26Å; T261-W265 PolarHBondContact O-N 3.45Å |
| 262 | V | 85.2 | Confident | 84.5 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 66% | 0.655 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 178 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | C258 T259 M264 W265 | C258-V262 WeakPolarHBondContact O-CG2 3.26Å; C258-V262 PolarHBondContact O-N 3.48Å; T259-V262 PolarHBondContact O-N 3.22Å; V262-M264 VanDerWaalsContact C-N 3.27Å; V262-M264 PolarHBondContact O-N 2.68Å; V262-W265 VanDerWaalsContact O-CB 3.23Å; V262-W265 WeakPolarHBondContact O-CB 3.34Å; V262-W265 PolarHBondContact O-N 2.91Å; V262-W265 VanDerWaalsContact O-N 3.14Å |
| 263 | L | 83.2 | Confident | 84.6 | Confident | 113 Ų | 113 | 70.3 Ų | 70.3 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.4 | -35 | 176 | -69.4 | 175.6 | 0 | 0 | 0 | 112.3 | T259 V260 W265 S266 Y267 | T259-L263 HydrophobicContact CG2-CD1 4.07Å; T259-L263 HydrophobicContact CG2-CG 4.4Å; T259-L263 WeakPolarHBondContact O-CB 3.21Å; T259-L263 VanDerWaalsContact O-CG 3.24Å; T259-L263 WeakPolarHBondContact O-CG 3.35Å; T259-L263 PolarHBondContact O-N 3.17Å; V260-L263 PolarHBondContact O-N 3.39Å; L263-W265 VanDerWaalsContact C-N 3.34Å; L263-S266 PolarHBondContact O-OG 3.37Å; L263-Y267 WeakPolarHBondContact O-CD2 3.39Å |
| 264 | M | 81.2 | Confident | 85 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 14% | 0.138 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -77 | -20 | 177.6 | -71.7 | 178 | 69.9 | 0 | 0 | 113.3 | V260 T261 V262 S266 Y267 M268 A495 L499 | V260-M264 HydrophobicContact CG1-CG 4.31Å; V260-M264 HydrophobicContact CG1-SD 3.66Å; V260-M264 WeakPolarHBondContact O-CB 3.22Å; V260-M264 WeakPolarHBondContact O-CG 3.44Å; V260-M264 PolarHBondContact O-N 3.38Å; T261-M264 PolarHBondContact O-N 3.26Å; V262-M264 VanDerWaalsContact C-N 3.27Å; V262-M264 PolarHBondContact O-N 2.68Å; M264-S266 VanDerWaalsContact C-N 3.3Å; M264-S266 PolarHBondContact O-N 3.46Å; M264-Y267 PolarHBondContact O-N 2.91Å; M264-M268 PolarHBondContact O-N 3.16Å; M264-A495 HydrophobicContact CE-CB 4.46Å; M264-A495 WeakPolarHBondContact CE-O 3.38Å; M264-A495 HydrophobicContact CG-CB 4.28Å; M264-L499 HydrophobicContact CE-CB 3.52Å; M264-L499 HydrophobicContact CE-CD1 3.76Å; M264-L499 HydrophobicContact CE-CG 4.12Å |
| 265 | W | 85.8 | Confident | 85.3 | Confident | 164 Ų | 164 | 65 Ų | 65 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.5 | -42 | -177.4 | -171.5 | -92.7 | 0 | 0 | 0 | 112.5 | T261 V262 L263 Y267 M268 | T261-W265 PolarHBondContact O-N 3.45Å; V262-W265 VanDerWaalsContact O-CB 3.23Å; V262-W265 WeakPolarHBondContact O-CB 3.34Å; V262-W265 PolarHBondContact O-N 2.91Å; V262-W265 VanDerWaalsContact O-N 3.14Å; L263-W265 VanDerWaalsContact C-N 3.34Å; W265-Y267 PolarHBondContact O-N 3.49Å; W265-M268 WeakPolarHBondContact O-CB 3.48Å; W265-M268 WeakPolarHBondContact O-CG 3.35Å; W265-M268 PolarHBondContact O-N 3.32Å; W265-M268 VanDerWaalsContact O-N 3.11Å |
| 266 | S | 86.5 | Confident | 85.3 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.1 | 178.6 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | L263 M264 | L263-S266 PolarHBondContact O-OG 3.37Å; M264-S266 VanDerWaalsContact C-N 3.3Å; M264-S266 PolarHBondContact O-N 3.46Å |
| 267 | Y | 87 | Confident | 85.6 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.6 | 179.9 | -55.5 | -63.7 | 0 | 0 | 0 | 113.6 | L263 M264 W265 P269 F270 I271 K492 A495 | L263-Y267 WeakPolarHBondContact O-CD2 3.39Å; M264-Y267 PolarHBondContact O-N 2.91Å; W265-Y267 PolarHBondContact O-N 3.49Å; Y267-P269 VanDerWaalsContact C-CD 3.49Å; Y267-F270 WeakPolarHBondContact O-CB 3.2Å; Y267-F270 PolarHBondContact O-N 2.98Å; Y267-F270 VanDerWaalsContact O-N 3.13Å; Y267-I271 WeakPolarHBondContact O-CG1 3.4Å; Y267-I271 PolarHBondContact O-N 3.18Å; Y267-K492 HydrophobicContact CD1-CB 4.48Å; Y267-K492 HydrophobicContact CD1-CG 3.84Å; Y267-K492 HydrophobicContact CE1-CG 4.09Å; Y267-A495 HydrophobicContact CD2-CB 3.63Å; Y267-A495 HydrophobicContact CE2-CB 4.45Å; Y267-A495 HydrophobicContact CG-CB 3.96Å |
| 268 | M | 86 | Confident | 86.2 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56 | -40.1 | -176 | -73.1 | -66.2 | -116.5 | 0 | 0 | 114.6 | M264 W265 F270 I271 N272 | M264-M268 PolarHBondContact O-N 3.16Å; W265-M268 WeakPolarHBondContact O-CB 3.48Å; W265-M268 WeakPolarHBondContact O-CG 3.35Å; W265-M268 PolarHBondContact O-N 3.32Å; W265-M268 VanDerWaalsContact O-N 3.11Å; M268-F270 VanDerWaalsContact C-N 3.33Å; M268-F270 PolarHBondContact O-N 3.48Å; M268-I271 PolarHBondContact O-N 3.14Å; M268-I271 HydrophobicContact SD-CD1 4.36Å; M268-N272 VanDerWaalsContact O-CB 3.3Å; M268-N272 WeakPolarHBondContact O-CB 3.48Å; M268-N272 PolarHBondContact O-N 3.05Å; M268-N272 PolarHBondContact O-ND2 3.13Å |
| 269 | P | 86.9 | Confident | 86.4 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 176.7 | -25 | 35.2 | 0 | 0 | 0 | 112.8 | Y267 A273 | Y267-P269 VanDerWaalsContact C-CD 3.49Å; P269-A273 WeakPolarHBondContact O-CB 3.44Å; P269-A273 PolarHBondContact O-N 2.89Å; P269-A273 VanDerWaalsContact O-N 3.07Å |
| 270 | F | 86.1 | Confident | 86.5 | Confident | 34 Ų | 34 | 65 Ų | 65 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 176.9 | 177.6 | -95.2 | 0 | 0 | 0 | 111.2 | Y267 M268 N272 A273 V274 K492 T496 Y565 | Y267-F270 WeakPolarHBondContact O-CB 3.2Å; Y267-F270 PolarHBondContact O-N 2.98Å; Y267-F270 VanDerWaalsContact O-N 3.13Å; M268-F270 VanDerWaalsContact C-N 3.33Å; M268-F270 PolarHBondContact O-N 3.48Å; F270-N272 VanDerWaalsContact C-N 3.34Å; F270-N272 PolarHBondContact O-N 3.13Å; F270-A273 WeakPolarHBondContact O-CB 3.37Å; F270-A273 PolarHBondContact O-N 3.35Å; F270-V274 HydrophobicContact CD1-CG2 4.2Å; F270-V274 HydrophobicContact CE1-CG2 3.79Å; F270-V274 HydrophobicContact CE2-CG2 4.4Å; F270-V274 HydrophobicContact CZ-CG2 3.91Å; F270-V274 WeakPolarHBondContact O-CG2 3.24Å; F270-V274 PolarHBondContact O-N 2.82Å; F270-K492 HydrophobicContact CD1-CB 4.04Å; F270-K492 HydrophobicContact CD2-CD 4.22Å; F270-K492 HydrophobicContact CE1-CB 4.01Å; F270-K492 HydrophobicContact CE2-CD 4.4Å; F270-K492 HydrophobicContact CG-CB 4.44Å; F270-K492 HydrophobicContact CG-CD 4.42Å; F270-K492 HydrophobicContact CZ-CB 4.37Å; F270-T496 WeakPolarHBondContact CD1-OG1 3.37Å; F270-T496 WeakPolarHBondContact CE1-OG1 3.43Å; F270-Y565 HydrophobicContact CE2-CG 4.31Å |
| 271 | I | 87.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 177.5 | -69.5 | 171.5 | 0 | 0 | 0 | 110.4 | Y267 M268 A273 V274 F275 A495 L499 | Y267-I271 WeakPolarHBondContact O-CG1 3.4Å; Y267-I271 PolarHBondContact O-N 3.18Å; M268-I271 PolarHBondContact O-N 3.14Å; M268-I271 HydrophobicContact SD-CD1 4.36Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.44Å; I271-V274 PolarHBondContact O-N 2.94Å; I271-F275 HydrophobicContact CG2-CD2 3.87Å; I271-F275 HydrophobicContact CG2-CE2 3.84Å; I271-F275 WeakPolarHBondContact O-CB 3.2Å; I271-F275 WeakPolarHBondContact O-CD2 3.44Å; I271-F275 PolarHBondContact O-N 2.98Å; I271-A495 HydrophobicContact CD1-CB 4.14Å; I271-L499 HydrophobicContact CD1-CD2 4.15Å; I271-L499 HydrophobicContact CG2-CD2 3.36Å |
| 272 | N | 88 | Confident | 87.2 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | -179.6 | -73.1 | -15.1 | 0 | 0 | 0 | 111.9 | M268 F270 K276 | M268-N272 VanDerWaalsContact O-CB 3.3Å; M268-N272 WeakPolarHBondContact O-CB 3.48Å; M268-N272 PolarHBondContact O-N 3.05Å; M268-N272 PolarHBondContact O-ND2 3.13Å; F270-N272 VanDerWaalsContact C-N 3.34Å; F270-N272 PolarHBondContact O-N 3.13Å; N272-K276 WeakPolarHBondContact O-CB 3.28Å; N272-K276 PolarHBondContact O-N 3.34Å |
| 273 | A | 87.2 | Confident | 87.3 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P269 F270 I271 F275 K276 Q277 | P269-A273 WeakPolarHBondContact O-CB 3.44Å; P269-A273 PolarHBondContact O-N 2.89Å; P269-A273 VanDerWaalsContact O-N 3.07Å; F270-A273 WeakPolarHBondContact O-CB 3.37Å; F270-A273 PolarHBondContact O-N 3.35Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.44Å; A273-F275 PolarHBondContact O-N 3.48Å; A273-K276 PolarHBondContact O-N 3.02Å; A273-Q277 WeakPolarHBondContact O-CB 3.46Å; A273-Q277 PolarHBondContact O-N 3.5Å |
| 274 | V | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 177 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | F270 I271 Q277 A278 T496 V558 L561 Y565 | F270-V274 HydrophobicContact CD1-CG2 4.2Å; F270-V274 HydrophobicContact CE1-CG2 3.79Å; F270-V274 HydrophobicContact CE2-CG2 4.4Å; F270-V274 HydrophobicContact CZ-CG2 3.91Å; F270-V274 WeakPolarHBondContact O-CG2 3.24Å; F270-V274 PolarHBondContact O-N 2.82Å; I271-V274 PolarHBondContact O-N 2.94Å; V274-Q277 PolarHBondContact O-N 2.71Å; V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.15Å; V274-T496 HydrophobicContact CB-CG2 4.45Å; V274-T496 HydrophobicContact CG1-CG2 4.14Å; V274-V558 HydrophobicContact CG1-CB 4.47Å; V274-V558 HydrophobicContact CG1-CG1 3.92Å; V274-L561 HydrophobicContact CG1-CB 3.95Å; V274-Y565 HydrophobicContact CG2-CD2 3.77Å; V274-Y565 HydrophobicContact CG2-CE2 4Å |
| 275 | F | 90.2 | Very high | 87.7 | Confident | 30 Ų | 30 | 63 Ų | 63 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | -179.5 | -85.3 | -120.7 | 0 | 0 | 0 | 112 | I271 A273 Q277 A278 R279 T496 C500 Y503 F554 V558 | I271-F275 HydrophobicContact CG2-CD2 3.87Å; I271-F275 HydrophobicContact CG2-CE2 3.84Å; I271-F275 WeakPolarHBondContact O-CB 3.2Å; I271-F275 WeakPolarHBondContact O-CD2 3.44Å; I271-F275 PolarHBondContact O-N 2.98Å; A273-F275 PolarHBondContact O-N 3.48Å; F275-Q277 VanDerWaalsContact C-N 3.32Å; F275-Q277 PolarHBondContact O-N 2.92Å; F275-A278 PolarHBondContact O-N 2.97Å; F275-R279 WeakPolarHBondContact O-CG 3.25Å; F275-R279 PolarHBondContact O-N 3.13Å; F275-T496 HydrophobicContact CE2-CG2 4.31Å; F275-C500 HydrophobicContact CE2-CB 4.49Å; F275-C500 HydrophobicContact CZ-CB 3.98Å; F275-Y503 AromaticContact CE1-CD2 3.57Å; F275-Y503 HydrophobicContact CE1-CD2 3.57Å; F275-Y503 AromaticContact CE1-CE2 3.63Å; F275-Y503 HydrophobicContact CE1-CE2 3.63Å; F275-Y503 AromaticContact CZ-CD2 3.86Å; F275-Y503 HydrophobicContact CZ-CD2 3.86Å; F275-Y503 AromaticContact CZ-CE2 3.94Å; F275-Y503 HydrophobicContact CZ-CE2 3.94Å; F275-F554 HydrophobicContact CD1-CE1 4.16Å; F275-F554 HydrophobicContact CD1-CZ 4.03Å; F275-F554 AromaticContact CE1-CE1 3.92Å; F275-F554 HydrophobicContact CE1-CE1 3.92Å; F275-F554 HydrophobicContact CE1-CZ 4.26Å; F275-F554 HydrophobicContact CZ-CE1 4.47Å; F275-V558 HydrophobicContact CD2-CG1 4.48Å; F275-V558 HydrophobicContact CE2-CG1 3.99Å; F275-V558 HydrophobicContact CE2-CG2 4.46Å |
| 276 | K | 88.7 | Confident | 87.7 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.3 | -48.5 | 172.4 | -176.9 | 178.1 | 179.8 | 178.9 | 0 | 110.1 | N272 A273 A278 R279 T280 | N272-K276 WeakPolarHBondContact O-CB 3.28Å; N272-K276 PolarHBondContact O-N 3.34Å; A273-K276 PolarHBondContact O-N 3.02Å; K276-A278 PolarHBondContact O-N 3.36Å; K276-R279 PolarHBondContact O-N 3.45Å; K276-T280 PolarHBondContact O-N 3.03Å; K276-T280 PolarHBondContact O-OG1 2.93Å; K276-T280 VanDerWaalsContact O-OG1 3.13Å |
| 277 | Q | 88.9 | Confident | 87.7 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -35.3 | 178.9 | -172 | 63.7 | 6.1 | 0 | 0 | 112.7 | A273 V274 F275 T280 T281 L561 | A273-Q277 WeakPolarHBondContact O-CB 3.46Å; A273-Q277 PolarHBondContact O-N 3.5Å; V274-Q277 PolarHBondContact O-N 2.71Å; F275-Q277 VanDerWaalsContact C-N 3.32Å; F275-Q277 PolarHBondContact O-N 2.92Å; Q277-T280 PolarHBondContact O-N 2.81Å; Q277-T281 VanDerWaalsContact O-CB 3.28Å; Q277-T281 WeakPolarHBondContact O-CB 3.47Å; Q277-T281 PolarHBondContact O-N 3.19Å; Q277-T281 PolarHBondContact O-OG1 3.14Å; Q277-L561 HydrophobicContact CB-CD1 4.1Å; Q277-L561 HydrophobicContact CG-CD1 3.99Å; Q277-L561 HydrophobicContact CG-CD2 3.9Å |
| 278 | A | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V274 F275 K276 T281 L282 F554 I557 V558 L561 | V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.15Å; F275-A278 PolarHBondContact O-N 2.97Å; K276-A278 PolarHBondContact O-N 3.36Å; A278-T281 WeakPolarHBondContact O-CB 3.27Å; A278-T281 PolarHBondContact O-N 3.28Å; A278-L282 PolarHBondContact O-N 3.48Å; A278-F554 HydrophobicContact CB-CE2 4.04Å; A278-F554 HydrophobicContact CB-CZ 4.21Å; A278-I557 HydrophobicContact CB-CG2 3.81Å; A278-V558 HydrophobicContact CB-CG2 3.77Å; A278-L561 HydrophobicContact CB-CD1 3.82Å |
| 279 | R | 88.9 | Confident | 87.6 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 48% | 0.475 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 174.5 | -70 | -171.6 | -59.3 | -171.1 | 1.5 | 111.1 | F275 K276 T281 L282 F283 | F275-R279 WeakPolarHBondContact O-CG 3.25Å; F275-R279 PolarHBondContact O-N 3.13Å; K276-R279 PolarHBondContact O-N 3.45Å; R279-T281 VanDerWaalsContact C-N 3.28Å; R279-T281 PolarHBondContact O-N 3.45Å; R279-L282 WeakPolarHBondContact O-CB 3.37Å; R279-L282 PolarHBondContact O-N 3.33Å; R279-L282 VanDerWaalsContact O-N 3.12Å; R279-F283 WeakPolarHBondContact O-CD2 3.19Å; R279-F283 PolarHBondContact O-N 2.7Å |
| 280 | T | 87.7 | Confident | 87.6 | Confident | 49 Ų | 49 | 54 Ų | 54 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | K276 Q277 L282 F283 F284 | K276-T280 PolarHBondContact O-N 3.03Å; K276-T280 PolarHBondContact O-OG1 2.93Å; K276-T280 VanDerWaalsContact O-OG1 3.13Å; Q277-T280 PolarHBondContact O-N 2.81Å; T280-L282 VanDerWaalsContact C-N 3.3Å; T280-L282 PolarHBondContact O-N 3.39Å; T280-F283 PolarHBondContact O-N 2.79Å; T280-F284 HydrophobicContact CG2-CD2 3.62Å; T280-F284 HydrophobicContact CG2-CE2 3.52Å; T280-F284 WeakPolarHBondContact O-CD2 3.2Å; T280-F284 PolarHBondContact O-N 3.32Å |
| 281 | T | 88 | Confident | 87.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 178.1 | -62 | 0 | 0 | 0 | 0 | 112.1 | Q277 A278 R279 F284 M285 V373 I557 | Q277-T281 VanDerWaalsContact O-CB 3.28Å; Q277-T281 WeakPolarHBondContact O-CB 3.47Å; Q277-T281 PolarHBondContact O-N 3.19Å; Q277-T281 PolarHBondContact O-OG1 3.14Å; A278-T281 WeakPolarHBondContact O-CB 3.27Å; A278-T281 PolarHBondContact O-N 3.28Å; R279-T281 VanDerWaalsContact C-N 3.28Å; R279-T281 PolarHBondContact O-N 3.45Å; T281-F284 PolarHBondContact O-N 3.25Å; T281-M285 HydrophobicContact CG2-CE 4.04Å; T281-M285 PolarHBondContact O-N 3.45Å; T281-V373 HydrophobicContact CG2-CG2 3.95Å; T281-I557 HydrophobicContact CG2-CG2 4.23Å |
| 282 | L | 87.2 | Confident | 87.3 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 178.1 | -164.2 | 74.2 | 0 | 0 | 0 | 112.6 | A278 R279 T280 F284 M285 L289 I557 | A278-L282 PolarHBondContact O-N 3.48Å; R279-L282 WeakPolarHBondContact O-CB 3.37Å; R279-L282 PolarHBondContact O-N 3.33Å; R279-L282 VanDerWaalsContact O-N 3.12Å; T280-L282 VanDerWaalsContact C-N 3.3Å; T280-L282 PolarHBondContact O-N 3.39Å; L282-F284 VanDerWaalsContact C-N 3.29Å; L282-F284 PolarHBondContact O-N 3.01Å; L282-M285 CarbonylContact O-C 3.54Å; L282-M285 VanDerWaalsContact O-C 3.28Å; L282-M285 PolarHBondContact O-N 3.49Å; L282-L289 HydrophobicContact CD1-CD1 4.44Å; L282-L289 HydrophobicContact CD1-CD2 3.67Å; L282-L289 HydrophobicContact CD1-CG 3.86Å; L282-L289 HydrophobicContact CD2-CD1 4.38Å; L282-L289 HydrophobicContact CD2-CD2 4.09Å; L282-L289 HydrophobicContact CG-CD1 4.27Å; L282-L289 HydrophobicContact CG-CD2 4.19Å; L282-L289 HydrophobicContact CG-CG 4.23Å; L282-I557 HydrophobicContact CD1-CD1 3.83Å |
| 283 | F | 86.6 | Confident | 87.2 | Confident | 171 Ų | 171 | 51.7 Ų | 51.7 | 75% | 0.75 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.1 | -36 | 175.3 | -81.3 | -71.6 | 0 | 0 | 0 | 112.7 | R279 T280 | R279-F283 WeakPolarHBondContact O-CD2 3.19Å; R279-F283 PolarHBondContact O-N 2.7Å; T280-F283 PolarHBondContact O-N 2.79Å |
| 284 | F | 84.8 | Confident | 87 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 40% | 0.395 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -81 | -21.3 | 179.4 | -86.7 | -94.3 | 0 | 0 | 0 | 114.1 | T280 T281 L282 P286 K385 | T280-F284 HydrophobicContact CG2-CD2 3.62Å; T280-F284 HydrophobicContact CG2-CE2 3.52Å; T280-F284 WeakPolarHBondContact O-CD2 3.2Å; T280-F284 PolarHBondContact O-N 3.32Å; T281-F284 PolarHBondContact O-N 3.25Å; L282-F284 VanDerWaalsContact C-N 3.29Å; L282-F284 PolarHBondContact O-N 3.01Å; F284-P286 VanDerWaalsContact C-CD 3.47Å; F284-K385 HydrophobicContact CD1-CD 4.36Å |
| 285 | M | 87.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -128.1 | 66.8 | 178.4 | -61.9 | -173.9 | -133.1 | 0 | 0 | 110.7 | T281 L282 L287 L288 P372 R376 L388 | T281-M285 HydrophobicContact CG2-CE 4.04Å; T281-M285 PolarHBondContact O-N 3.45Å; L282-M285 CarbonylContact O-C 3.54Å; L282-M285 VanDerWaalsContact O-C 3.28Å; L282-M285 PolarHBondContact O-N 3.49Å; M285-L287 PolarHBondContact O-N 3.21Å; M285-L287 VanDerWaalsContact O-N 3.14Å; M285-L288 HydrophobicContact CB-CD1 3.77Å; M285-L288 HydrophobicContact CB-CG 3.89Å; M285-L288 WeakPolarHBondContact O-CB 3.07Å; M285-L288 WeakPolarHBondContact O-CG 3.49Å; M285-L288 PolarHBondContact O-N 3.31Å; M285-L288 VanDerWaalsContact O-N 3.08Å; M285-L288 HydrophobicContact SD-CD1 4.06Å; M285-P372 WeakPolarHBondContact CE-O 3.38Å; M285-P372 HydrophobicContact SD-CB 3.79Å; M285-R376 HydrophobicContact CE-CB 3.36Å; M285-R376 HydrophobicContact CE-CG 3.86Å; M285-L388 HydrophobicContact CE-CD2 4.16Å; M285-L388 HydrophobicContact SD-CB 4.05Å; M285-L388 HydrophobicContact SD-CD2 4.35Å | ||
| 286 | P | 85.9 | Confident | 86 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -61.6 | -26.5 | -175.9 | 25.1 | -34.8 | 0 | 0 | 0 | 112.7 | F284 L288 L289 W386 | F284-P286 VanDerWaalsContact C-CD 3.47Å; P286-L288 PolarHBondContact O-N 3.5Å; P286-L288 VanDerWaalsContact O-N 3.13Å; P286-L289 VanDerWaalsContact O-CB 3.27Å; P286-L289 WeakPolarHBondContact O-CB 3.5Å; P286-L289 PolarHBondContact O-N 2.89Å; P286-W386 HydrophobicContact CG-CZ2 4.22Å |
| 287 | L | 86.2 | Confident | 85.8 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -61.3 | -21.7 | 177.8 | -172.4 | 59.3 | 0 | 0 | 0 | 113.5 | M285 L289 I290 I390 | M285-L287 PolarHBondContact O-N 3.21Å; M285-L287 VanDerWaalsContact O-N 3.14Å; L287-L289 PolarHBondContact O-N 3.2Å; L287-I290 HydrophobicContact CD1-CB 4.14Å; L287-I290 HydrophobicContact CD1-CD1 3.63Å; L287-I290 HydrophobicContact CD1-CG1 4.31Å; L287-I290 PolarHBondContact O-N 3.04Å; L287-I290 VanDerWaalsContact O-N 3.07Å; L287-I390 HydrophobicContact CD2-CD1 3.77Å; L287-I390 HydrophobicContact CD2-CG1 3.35Å |
| 288 | L | 87.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -62 | -23.7 | 172.2 | -63.5 | 179.8 | 0 | 0 | 0 | 112.4 | M285 P286 I290 P292 I369 P372 I557 | M285-L288 HydrophobicContact CB-CD1 3.77Å; M285-L288 HydrophobicContact CB-CG 3.89Å; M285-L288 WeakPolarHBondContact O-CB 3.07Å; M285-L288 WeakPolarHBondContact O-CG 3.49Å; M285-L288 PolarHBondContact O-N 3.31Å; M285-L288 VanDerWaalsContact O-N 3.08Å; M285-L288 HydrophobicContact SD-CD1 4.06Å; P286-L288 PolarHBondContact O-N 3.5Å; P286-L288 VanDerWaalsContact O-N 3.13Å; L288-I290 VanDerWaalsContact C-N 3.32Å; L288-P292 WeakPolarHBondContact O-CD 3.44Å; L288-I369 HydrophobicContact CD2-CG1 4.44Å; L288-P372 HydrophobicContact CD2-CG 4.13Å; L288-I557 HydrophobicContact CD1-CD1 4.35Å |
| 289 | L | 84.9 | Confident | 84.9 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 42% | 0.424 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -76.5 | -16.7 | 175.6 | -66.9 | 174 | 0 | 0 | 0 | 113.7 | L282 P286 L287 P292 | L282-L289 HydrophobicContact CD1-CD1 4.44Å; L282-L289 HydrophobicContact CD1-CD2 3.67Å; L282-L289 HydrophobicContact CD1-CG 3.86Å; L282-L289 HydrophobicContact CD2-CD1 4.38Å; L282-L289 HydrophobicContact CD2-CD2 4.09Å; L282-L289 HydrophobicContact CG-CD1 4.27Å; L282-L289 HydrophobicContact CG-CD2 4.19Å; L282-L289 HydrophobicContact CG-CG 4.23Å; P286-L289 VanDerWaalsContact O-CB 3.27Å; P286-L289 WeakPolarHBondContact O-CB 3.5Å; P286-L289 PolarHBondContact O-N 2.89Å; L287-L289 PolarHBondContact O-N 3.2Å; L289-P292 VanDerWaalsContact O-CD 3.3Å; L289-P292 WeakPolarHBondContact O-CD 3.41Å; L289-P292 WeakPolarHBondContact O-CG 3.44Å |
| 290 | I | 87 | Confident | 84.5 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 41% | 0.41 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -29.3 | 175.7 | -60.3 | 171.5 | 0 | 0 | 0 | 110.5 | L287 L288 P292 V293 F294 | L287-I290 HydrophobicContact CD1-CB 4.14Å; L287-I290 HydrophobicContact CD1-CD1 3.63Å; L287-I290 HydrophobicContact CD1-CG1 4.31Å; L287-I290 PolarHBondContact O-N 3.04Å; L287-I290 VanDerWaalsContact O-N 3.07Å; L288-I290 VanDerWaalsContact C-N 3.32Å; I290-P292 VanDerWaalsContact C-CD 3.47Å; I290-V293 WeakPolarHBondContact O-CB 3.26Å; I290-V293 PolarHBondContact O-N 3.35Å; I290-F294 HydrophobicContact CG2-CD2 3.75Å; I290-F294 HydrophobicContact CG2-CE2 3.36Å; I290-F294 HydrophobicContact CG2-CZ 4.26Å; I290-F294 PolarHBondContact O-N 2.75Å |
| 291 | L | 84.6 | Confident | 84.4 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.5 | -45 | 175.3 | -170.5 | 64.9 | 0 | 0 | 0 | 114.9 | V293 F294 S295 Q365 A368 I369 V393 | L291-V293 VanDerWaalsContact C-N 3.28Å; L291-V293 PolarHBondContact O-N 3.32Å; L291-F294 PolarHBondContact O-N 2.8Å; L291-S295 PolarHBondContact O-N 3.27Å; L291-Q365 HydrophobicContact CD2-CG 3.97Å; L291-Q365 HydrophobicContact CG-CG 4.3Å; L291-A368 HydrophobicContact CD2-CB 4.25Å; L291-I369 HydrophobicContact CD2-CD1 4.13Å; L291-I369 HydrophobicContact CD2-CG1 3.69Å; L291-V393 HydrophobicContact CD1-CG2 4.01Å |
| 292 | P | 82.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -33.5 | 176.1 | 24.9 | -36.5 | 0 | 0 | 0 | 112.7 | L288 L289 I290 S295 A296 V549 F550 V553 | L288-P292 WeakPolarHBondContact O-CD 3.44Å; L289-P292 VanDerWaalsContact O-CD 3.3Å; L289-P292 WeakPolarHBondContact O-CD 3.41Å; L289-P292 WeakPolarHBondContact O-CG 3.44Å; I290-P292 VanDerWaalsContact C-CD 3.47Å; P292-S295 VanDerWaalsContact CA-OG 3.26Å; P292-S295 WeakPolarHBondContact CA-OG 3.47Å; P292-S295 CarbonylContact O-C 3.59Å; P292-S295 PolarHBondContact O-N 3.16Å; P292-S295 PolarHBondContact O-OG 3.47Å; P292-A296 WeakPolarHBondContact O-CB 3.3Å; P292-A296 PolarHBondContact O-N 3.23Å; P292-V549 HydrophobicContact CB-CG1 3.77Å; P292-V549 WeakPolarHBondContact O-CG1 3.33Å; P292-F550 HydrophobicContact CB-CD1 4.08Å; P292-F550 HydrophobicContact CB-CE1 4.28Å; P292-F550 HydrophobicContact CB-CG 4.45Å; P292-F550 HydrophobicContact CG-CD1 3.69Å; P292-F550 HydrophobicContact CG-CE1 3.8Å; P292-F550 HydrophobicContact CG-CG 4.5Å; P292-V553 HydrophobicContact CB-CG2 3.77Å; P292-V553 HydrophobicContact CG-CG2 3.65Å |
| 293 | V | 84.9 | Confident | 83.8 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | I290 L291 S295 A296 L297 F550 | I290-V293 WeakPolarHBondContact O-CB 3.26Å; I290-V293 PolarHBondContact O-N 3.35Å; L291-V293 VanDerWaalsContact C-N 3.28Å; L291-V293 PolarHBondContact O-N 3.32Å; V293-S295 VanDerWaalsContact C-N 3.31Å; V293-S295 PolarHBondContact O-N 2.99Å; V293-A296 PolarHBondContact O-N 2.91Å; V293-L297 HydrophobicContact CG1-CD1 4.07Å; V293-L297 HydrophobicContact CG1-CG 4.4Å; V293-L297 WeakPolarHBondContact O-CB 3.48Å; V293-L297 VanDerWaalsContact O-CG 3.31Å; V293-L297 WeakPolarHBondContact O-CG 3.31Å; V293-L297 PolarHBondContact O-N 3.38Å; V293-F550 HydrophobicContact CG2-CE1 4.1Å; V293-F550 HydrophobicContact CG2-CZ 3.91Å |
| 294 | F | 84.1 | Confident | 83.8 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 173.7 | -72.2 | -65 | 0 | 0 | 0 | 112 | I290 L291 A296 L297 T298 | I290-F294 HydrophobicContact CG2-CD2 3.75Å; I290-F294 HydrophobicContact CG2-CE2 3.36Å; I290-F294 HydrophobicContact CG2-CZ 4.26Å; I290-F294 PolarHBondContact O-N 2.75Å; L291-F294 PolarHBondContact O-N 2.8Å; F294-A296 PolarHBondContact O-N 2.93Å; F294-L297 PolarHBondContact O-N 3.18Å; F294-T298 WeakPolarHBondContact O-CB 3.38Å; F294-T298 VanDerWaalsContact O-CG2 3.25Å; F294-T298 WeakPolarHBondContact O-CG2 3.45Å; F294-T298 PolarHBondContact O-N 3.27Å; F294-T298 PolarHBondContact O-OG1 2.94Å |
| 295 | S | 79.7 | Confident | 83.8 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 175.5 | 77.3 | 0 | 0 | 0 | 0 | 112.6 | L291 P292 V293 T298 I299 V549 | L291-S295 PolarHBondContact O-N 3.27Å; P292-S295 VanDerWaalsContact CA-OG 3.26Å; P292-S295 WeakPolarHBondContact CA-OG 3.47Å; P292-S295 CarbonylContact O-C 3.59Å; P292-S295 PolarHBondContact O-N 3.16Å; P292-S295 PolarHBondContact O-OG 3.47Å; V293-S295 VanDerWaalsContact C-N 3.31Å; V293-S295 PolarHBondContact O-N 2.99Å; S295-T298 VanDerWaalsContact CA-OG1 3.29Å; S295-T298 WeakPolarHBondContact CA-OG1 3.36Å; S295-T298 PolarHBondContact O-OG1 3.39Å; S295-I299 WeakPolarHBondContact O-CB 3.3Å; S295-I299 WeakPolarHBondContact O-CD1 3.33Å; S295-I299 WeakPolarHBondContact O-CG1 3.47Å; S295-I299 PolarHBondContact O-N 3.18Å; S295-V549 WeakPolarHBondContact OG-CG1 3.17Å |
| 296 | A | 79.8 | Confident | 83.8 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P292 V293 F294 T298 I299 I300 V549 | P292-A296 WeakPolarHBondContact O-CB 3.3Å; P292-A296 PolarHBondContact O-N 3.23Å; V293-A296 PolarHBondContact O-N 2.91Å; F294-A296 PolarHBondContact O-N 2.93Å; A296-T298 VanDerWaalsContact C-N 3.34Å; A296-T298 PolarHBondContact O-N 3.33Å; A296-I299 PolarHBondContact O-N 2.95Å; A296-I300 WeakPolarHBondContact O-CB 3.43Å; A296-I300 VanDerWaalsContact O-CG1 3.24Å; A296-I300 WeakPolarHBondContact O-CG1 3.45Å; A296-I300 PolarHBondContact O-N 3.28Å; A296-V549 HydrophobicContact CB-CG1 4.34Å |
| 297 | L | 84.6 | Confident | 83.7 | Confident | 99 Ų | 99 | 54 Ų | 54 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.6 | -70.4 | 174.8 | 0 | 0 | 0 | 111.7 | V293 F294 I300 A301 | V293-L297 HydrophobicContact CG1-CD1 4.07Å; V293-L297 HydrophobicContact CG1-CG 4.4Å; V293-L297 WeakPolarHBondContact O-CB 3.48Å; V293-L297 VanDerWaalsContact O-CG 3.31Å; V293-L297 WeakPolarHBondContact O-CG 3.31Å; V293-L297 PolarHBondContact O-N 3.38Å; F294-L297 PolarHBondContact O-N 3.18Å; L297-I300 PolarHBondContact O-N 3.39Å; L297-A301 VanDerWaalsContact O-CB 3.25Å; L297-A301 WeakPolarHBondContact O-CB 3.49Å; L297-A301 PolarHBondContact O-N 2.94Å |
| 298 | T | 81.5 | Confident | 83.6 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.8 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | F294 S295 A296 I300 A301 M302 | F294-T298 WeakPolarHBondContact O-CB 3.38Å; F294-T298 VanDerWaalsContact O-CG2 3.25Å; F294-T298 WeakPolarHBondContact O-CG2 3.45Å; F294-T298 PolarHBondContact O-N 3.27Å; F294-T298 PolarHBondContact O-OG1 2.94Å; S295-T298 VanDerWaalsContact CA-OG1 3.29Å; S295-T298 WeakPolarHBondContact CA-OG1 3.36Å; S295-T298 PolarHBondContact O-OG1 3.39Å; A296-T298 VanDerWaalsContact C-N 3.34Å; A296-T298 PolarHBondContact O-N 3.33Å; T298-I300 PolarHBondContact O-N 2.58Å; T298-A301 PolarHBondContact O-N 3.07Å; T298-M302 WeakPolarHBondContact O-CB 3.39Å; T298-M302 WeakPolarHBondContact O-CG 3.42Å; T298-M302 PolarHBondContact O-N 2.91Å |
| 299 | I | 79.8 | Confident | 83.4 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.1 | -71.3 | 166.3 | 0 | 0 | 0 | 111.4 | S295 A296 M302 T303 | S295-I299 WeakPolarHBondContact O-CB 3.3Å; S295-I299 WeakPolarHBondContact O-CD1 3.33Å; S295-I299 WeakPolarHBondContact O-CG1 3.47Å; S295-I299 PolarHBondContact O-N 3.18Å; A296-I299 PolarHBondContact O-N 2.95Å; I299-M302 PolarHBondContact O-N 3.5Å; I299-T303 VanDerWaalsContact O-CB 3.32Å; I299-T303 WeakPolarHBondContact O-CB 3.47Å; I299-T303 PolarHBondContact O-N 3.34Å; I299-T303 PolarHBondContact O-OG1 3.44Å |
| 300 | I | 80.5 | Confident | 83.4 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 43% | 0.431 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -50.7 | 176.4 | -69.5 | 165 | 0 | 0 | 0 | 109.9 | A296 L297 T298 M302 T303 L304 | A296-I300 WeakPolarHBondContact O-CB 3.43Å; A296-I300 VanDerWaalsContact O-CG1 3.24Å; A296-I300 WeakPolarHBondContact O-CG1 3.45Å; A296-I300 PolarHBondContact O-N 3.28Å; L297-I300 PolarHBondContact O-N 3.39Å; T298-I300 PolarHBondContact O-N 2.58Å; I300-M302 VanDerWaalsContact C-N 3.32Å; I300-M302 PolarHBondContact O-N 2.93Å; I300-T303 PolarHBondContact O-N 3.02Å; I300-T303 VanDerWaalsContact O-N 3.11Å; I300-L304 HydrophobicContact CG2-CD1 4.09Å; I300-L304 HydrophobicContact CG2-CG 4.44Å; I300-L304 WeakPolarHBondContact O-CG 3.48Å; I300-L304 PolarHBondContact O-N 3.36Å |
| 301 | A | 84.5 | Confident | 83.3 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L297 T298 L304 L305 | L297-A301 VanDerWaalsContact O-CB 3.25Å; L297-A301 WeakPolarHBondContact O-CB 3.49Å; L297-A301 PolarHBondContact O-N 2.94Å; T298-A301 PolarHBondContact O-N 3.07Å; A301-L304 PolarHBondContact O-N 2.85Å; A301-L305 WeakPolarHBondContact O-CB 3.47Å; A301-L305 PolarHBondContact O-N 3.05Å |
| 302 | M | 82.7 | Confident | 83.2 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 29% | 0.286 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.9 | -69.9 | -59.1 | 102 | 0 | 0 | 111.7 | W31 T298 I299 I300 L304 L305 F306 | W31-M302 HydrophobicContact CH2-SD 3.55Å; W31-M302 VanDerWaalsContact CH2-SD 3.55Å; W31-M302 HydrophobicContact CZ2-SD 4.32Å; W31-M302 HydrophobicContact CZ3-SD 4.39Å; T298-M302 WeakPolarHBondContact O-CB 3.39Å; T298-M302 WeakPolarHBondContact O-CG 3.42Å; T298-M302 PolarHBondContact O-N 2.91Å; I299-M302 PolarHBondContact O-N 3.5Å; I300-M302 VanDerWaalsContact C-N 3.32Å; I300-M302 PolarHBondContact O-N 2.93Å; M302-L304 VanDerWaalsContact C-N 3.3Å; M302-L304 PolarHBondContact O-N 2.79Å; M302-L305 HydrophobicContact CE-CD2 4.22Å; M302-L305 PolarHBondContact O-N 3.42Å; M302-L305 HydrophobicContact SD-CD2 4.25Å; M302-F306 WeakPolarHBondContact O-CB 3.42Å; M302-F306 VanDerWaalsContact O-CD2 3.25Å; M302-F306 WeakPolarHBondContact O-CD2 3.18Å; M302-F306 PolarHBondContact O-N 2.91Å |
| 303 | T | 81.3 | Confident | 83.3 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | I299 I300 G307 Y354 | I299-T303 VanDerWaalsContact O-CB 3.32Å; I299-T303 WeakPolarHBondContact O-CB 3.47Å; I299-T303 PolarHBondContact O-N 3.34Å; I299-T303 PolarHBondContact O-OG1 3.44Å; I300-T303 PolarHBondContact O-N 3.02Å; I300-T303 VanDerWaalsContact O-N 3.11Å; T303-G307 WeakPolarHBondContact O-CA 3.44Å; T303-G307 PolarHBondContact O-N 2.78Å; T303-Y354 PolarHBondContact OG1-OH 3.48Å |
| 304 | L | 85 | Confident | 83.2 | Confident | 121 Ų | 121 | 50.6 Ų | 50.6 | 63% | 0.634 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 174.1 | -67.7 | 175 | 0 | 0 | 0 | 111.9 | I300 A301 M302 G307 F308 | I300-L304 HydrophobicContact CG2-CD1 4.09Å; I300-L304 HydrophobicContact CG2-CG 4.44Å; I300-L304 WeakPolarHBondContact O-CG 3.48Å; I300-L304 PolarHBondContact O-N 3.36Å; A301-L304 PolarHBondContact O-N 2.85Å; M302-L304 VanDerWaalsContact C-N 3.3Å; M302-L304 PolarHBondContact O-N 2.79Å; L304-G307 PolarHBondContact O-N 3.24Å; L304-F308 WeakPolarHBondContact O-CB 3.24Å; L304-F308 PolarHBondContact O-N 2.99Å |
| 305 | L | 86.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 44.7 Ų | 44.7 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 177.5 | -174.2 | 90.2 | 0 | 0 | 0 | 111.7 | W31 I38 A301 M302 F308 S309 | W31-L305 HydrophobicContact CH2-CD2 4.5Å; W31-L305 HydrophobicContact CZ3-CD2 4.15Å; I38-L305 HydrophobicContact CD1-CD1 4.15Å; I38-L305 HydrophobicContact CD1-CD2 3.68Å; I38-L305 HydrophobicContact CD1-CG 3.83Å; A301-L305 WeakPolarHBondContact O-CB 3.47Å; A301-L305 PolarHBondContact O-N 3.05Å; M302-L305 HydrophobicContact CE-CD2 4.22Å; M302-L305 PolarHBondContact O-N 3.42Å; M302-L305 HydrophobicContact SD-CD2 4.25Å; L305-F308 PolarHBondContact O-N 3.05Å; L305-S309 WeakPolarHBondContact O-CB 3.27Å; L305-S309 PolarHBondContact O-N 2.7Å |
| 306 | F | 85.4 | Confident | 83.2 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 177.2 | -86 | -101.8 | 0 | 0 | 0 | 111 | W31 M34 M302 S309 F310 Y350 L353 Y354 | W31-F306 AromaticContact CH2-CE2 3.59Å; W31-F306 HydrophobicContact CH2-CE2 3.59Å; W31-F306 HydrophobicContact CH2-CZ 4.07Å; W31-F306 HydrophobicContact CZ2-CE2 4.09Å; W31-F306 HydrophobicContact CZ2-CZ 4.26Å; W31-F306 HydrophobicContact CZ3-CE2 4.31Å; M34-F306 HydrophobicContact CE-CB 4.47Å; M34-F306 HydrophobicContact CE-CD1 3.5Å; M34-F306 HydrophobicContact CE-CD2 4.06Å; M34-F306 HydrophobicContact CE-CE1 3.59Å; M34-F306 HydrophobicContact CE-CE2 4.17Å; M34-F306 HydrophobicContact CE-CG 3.75Å; M34-F306 HydrophobicContact CE-CZ 3.94Å; M34-F306 HydrophobicContact CG-CZ 4.43Å; M34-F306 HydrophobicContact SD-CD1 4.37Å; M34-F306 HydrophobicContact SD-CE1 3.99Å; M34-F306 HydrophobicContact SD-CZ 4.4Å; M302-F306 WeakPolarHBondContact O-CB 3.42Å; M302-F306 VanDerWaalsContact O-CD2 3.25Å; M302-F306 WeakPolarHBondContact O-CD2 3.18Å; M302-F306 PolarHBondContact O-N 2.91Å; F306-S309 PolarHBondContact O-N 3.42Å; F306-F310 WeakPolarHBondContact O-CB 3.45Å; F306-F310 PolarHBondContact O-N 3.4Å; F306-Y350 HydrophobicContact CD1-CD1 4.04Å; F306-L353 HydrophobicContact CE1-CB 4.17Å; F306-L353 HydrophobicContact CE1-CD2 4.33Å; F306-L353 HydrophobicContact CE1-CG 4.23Å; F306-L353 HydrophobicContact CZ-CB 4.38Å; F306-L353 HydrophobicContact CZ-CD2 4.1Å; F306-L353 HydrophobicContact CZ-CG 3.96Å; F306-Y354 HydrophobicContact CB-CD2 4.14Å; F306-Y354 HydrophobicContact CD1-CD2 4.19Å; F306-Y354 HydrophobicContact CD1-CG 4.43Å; F306-Y354 HydrophobicContact CD2-CD2 4.05Å; F306-Y354 HydrophobicContact CE2-CD2 4.49Å; F306-Y354 AromaticContact CG-CD2 3.87Å; F306-Y354 HydrophobicContact CG-CD2 3.87Å |
| 307 | G | 85.4 | Confident | 83.4 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T303 L304 F310 V311 | T303-G307 WeakPolarHBondContact O-CA 3.44Å; T303-G307 PolarHBondContact O-N 2.78Å; L304-G307 PolarHBondContact O-N 3.24Å; G307-F310 PolarHBondContact O-N 2.8Å; G307-V311 WeakPolarHBondContact O-CB 3Å; G307-V311 VanDerWaalsContact O-CG2 3.29Å; G307-V311 WeakPolarHBondContact O-CG2 3.05Å; G307-V311 PolarHBondContact O-N 2.82Å |
| 308 | F | 82.6 | Confident | 83.2 | Confident | 90 Ų | 90 | 40.4 Ų | 40.4 | 40% | 0.395 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -50.4 | 175.6 | 174.8 | -95.2 | 0 | 0 | 0 | 111.4 | F42 L304 L305 F310 V311 S312 | F42-F308 HydrophobicContact CB-CE1 4.39Å; F42-F308 AromaticContact CD2-CE1 3.81Å; F42-F308 HydrophobicContact CD2-CE1 3.81Å; F42-F308 AromaticContact CD2-CZ 3.71Å; F42-F308 HydrophobicContact CD2-CZ 3.71Å; F42-F308 HydrophobicContact CE2-CZ 4.35Å; L304-F308 WeakPolarHBondContact O-CB 3.24Å; L304-F308 PolarHBondContact O-N 2.99Å; L305-F308 PolarHBondContact O-N 3.05Å; F308-F310 VanDerWaalsContact C-N 3.26Å; F308-F310 PolarHBondContact O-N 3.15Å; F308-V311 PolarHBondContact O-N 3.47Å; F308-S312 WeakPolarHBondContact CZ-OG 3.4Å; F308-S312 WeakPolarHBondContact O-CB 3.47Å; F308-S312 PolarHBondContact O-N 2.88Å; F308-S312 PolarHBondContact O-OG 3.04Å; F308-S312 VanDerWaalsContact O-OG 3.11Å |
| 309 | S | 84.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 178.8 | -162.7 | 0 | 0 | 0 | 0 | 112 | I38 L305 F306 T313 Y350 | I38-S309 VanDerWaalsContact CG1-OG 3.31Å; I38-S309 WeakPolarHBondContact CG1-OG 3.31Å; L305-S309 WeakPolarHBondContact O-CB 3.27Å; L305-S309 PolarHBondContact O-N 2.7Å; F306-S309 PolarHBondContact O-N 3.42Å; S309-T313 WeakPolarHBondContact O-CB 3.47Å; S309-T313 PolarHBondContact O-N 2.74Å; S309-T313 PolarHBondContact O-OG1 2.9Å; S309-Y350 PolarHBondContact O-OH 2.93Å; S309-Y350 WeakPolarHBondContact OG-CE1 3.39Å; S309-Y350 PolarHBondContact OG-OH 3.48Å |
| 310 | F | 84.7 | Confident | 82.7 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 28% | 0.281 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -50.5 | 176.5 | 179.6 | -99.5 | 0 | 0 | 0 | 112.1 | F306 G307 F308 S312 T313 I314 F347 Y350 | F306-F310 WeakPolarHBondContact O-CB 3.45Å; F306-F310 PolarHBondContact O-N 3.4Å; G307-F310 PolarHBondContact O-N 2.8Å; F308-F310 VanDerWaalsContact C-N 3.26Å; F308-F310 PolarHBondContact O-N 3.15Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-S312 PolarHBondContact O-N 3.05Å; F310-T313 PolarHBondContact O-N 3.09Å; F310-I314 HydrophobicContact CD1-CD1 3.92Å; F310-I314 HydrophobicContact CE1-CD1 3.41Å; F310-I314 VanDerWaalsContact CE1-CD1 3.41Å; F310-I314 HydrophobicContact CE2-CD1 4.49Å; F310-I314 HydrophobicContact CZ-CD1 3.75Å; F310-I314 WeakPolarHBondContact O-CG1 3.1Å; F310-I314 PolarHBondContact O-N 3.41Å; F310-F347 HydrophobicContact CD2-CD2 4.44Å; F310-F347 HydrophobicContact CD2-CE2 4.26Å; F310-F347 HydrophobicContact CD2-CZ 4.36Å; F310-F347 HydrophobicContact CE1-CE1 4.46Å; F310-F347 AromaticContact CE2-CD1 3.44Å; F310-F347 HydrophobicContact CE2-CD1 3.44Å; F310-F347 VanDerWaalsContact CE2-CD1 3.44Å; F310-F347 AromaticContact CE2-CD2 3.78Å; F310-F347 HydrophobicContact CE2-CD2 3.78Å; F310-F347 AromaticContact CE2-CE1 3.3Å; F310-F347 HydrophobicContact CE2-CE1 3.3Å; F310-F347 AromaticContact CE2-CE2 3.6Å; F310-F347 HydrophobicContact CE2-CE2 3.6Å; F310-F347 AromaticContact CE2-CG 3.72Å; F310-F347 HydrophobicContact CE2-CG 3.72Å; F310-F347 AromaticContact CE2-CZ 3.39Å; F310-F347 HydrophobicContact CE2-CZ 3.39Å; F310-F347 AromaticContact CZ-CD1 3.75Å; F310-F347 HydrophobicContact CZ-CD1 3.75Å; F310-F347 AromaticContact CZ-CE1 3.23Å; F310-F347 HydrophobicContact CZ-CE1 3.23Å; F310-F347 HydrophobicContact CZ-CE2 4.18Å; F310-F347 HydrophobicContact CZ-CG 4.46Å; F310-F347 AromaticContact CZ-CZ 3.49Å; F310-F347 HydrophobicContact CZ-CZ 3.49Å; F310-F347 VanDerWaalsContact CZ-CZ 3.49Å; F310-Y350 HydrophobicContact CD2-CD2 4.43Å |
| 311 | V | 83.4 | Confident | 82.5 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.9 | 164.2 | 0 | 0 | 0 | 0 | 110.9 | L50 G307 F308 T313 I314 T315 | L50-V311 HydrophobicContact CD2-CG1 3.49Å; L50-V311 VanDerWaalsContact CD2-CG1 3.49Å; L50-V311 HydrophobicContact CD2-CG2 4.37Å; G307-V311 WeakPolarHBondContact O-CB 3Å; G307-V311 VanDerWaalsContact O-CG2 3.29Å; G307-V311 WeakPolarHBondContact O-CG2 3.05Å; G307-V311 PolarHBondContact O-N 2.82Å; F308-V311 PolarHBondContact O-N 3.47Å; V311-T313 VanDerWaalsContact C-N 3.34Å; V311-T313 PolarHBondContact O-N 2.7Å; V311-I314 WeakPolarHBondContact O-CB 3.44Å; V311-I314 PolarHBondContact O-N 3.37Å; V311-I314 VanDerWaalsContact O-N 3.14Å; V311-T315 WeakPolarHBondContact O-CG2 3.12Å; V311-T315 PolarHBondContact O-N 3.25Å |
| 312 | S | 82.7 | Confident | 81.7 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -33.6 | 179.3 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | F308 F310 I314 T315 I316 | F308-S312 WeakPolarHBondContact CZ-OG 3.4Å; F308-S312 WeakPolarHBondContact O-CB 3.47Å; F308-S312 PolarHBondContact O-N 2.88Å; F308-S312 PolarHBondContact O-OG 3.04Å; F308-S312 VanDerWaalsContact O-OG 3.11Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-S312 PolarHBondContact O-N 3.05Å; S312-I314 VanDerWaalsContact C-N 3.34Å; S312-T315 WeakPolarHBondContact CA-OG1 3.47Å; S312-T315 PolarHBondContact O-N 2.9Å; S312-T315 PolarHBondContact O-OG1 3.17Å; S312-I316 WeakPolarHBondContact O-CG1 3.33Å; S312-I316 PolarHBondContact O-N 2.64Å; S312-I316 VanDerWaalsContact O-N 3.16Å |
| 313 | T | 84.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 111 | S309 F310 V311 T315 I316 V317 F336 L346 Y350 | S309-T313 WeakPolarHBondContact O-CB 3.47Å; S309-T313 PolarHBondContact O-N 2.74Å; S309-T313 PolarHBondContact O-OG1 2.9Å; F310-T313 PolarHBondContact O-N 3.09Å; V311-T313 VanDerWaalsContact C-N 3.34Å; V311-T313 PolarHBondContact O-N 2.7Å; T313-T315 PolarHBondContact O-N 2.89Å; T313-I316 PolarHBondContact O-N 3.37Å; T313-V317 WeakPolarHBondContact O-CG2 3.45Å; T313-V317 PolarHBondContact O-N 3.33Å; T313-F336 HydrophobicContact CG2-CZ 4.38Å; T313-L346 HydrophobicContact CG2-CD1 4.13Å; T313-Y350 PolarHBondContact OG1-OH 3.39Å; T313-Y350 VanDerWaalsContact OG1-OH 3.06Å |
| 314 | I | 83.7 | Confident | 80.6 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 175.9 | -69.5 | 173.8 | 0 | 0 | 0 | 111.3 | F310 V311 S312 I316 V317 L318 L326 V329 F347 | F310-I314 HydrophobicContact CD1-CD1 3.92Å; F310-I314 HydrophobicContact CE1-CD1 3.41Å; F310-I314 VanDerWaalsContact CE1-CD1 3.41Å; F310-I314 HydrophobicContact CE2-CD1 4.49Å; F310-I314 HydrophobicContact CZ-CD1 3.75Å; F310-I314 WeakPolarHBondContact O-CG1 3.1Å; F310-I314 PolarHBondContact O-N 3.41Å; V311-I314 WeakPolarHBondContact O-CB 3.44Å; V311-I314 PolarHBondContact O-N 3.37Å; V311-I314 VanDerWaalsContact O-N 3.14Å; S312-I314 VanDerWaalsContact C-N 3.34Å; I314-I316 VanDerWaalsContact C-N 3.35Å; I314-I316 PolarHBondContact O-N 3.4Å; I314-V317 PolarHBondContact O-N 3.16Å; I314-L318 HydrophobicContact CG2-CD1 3.62Å; I314-L318 HydrophobicContact CG2-CG 4.15Å; I314-L318 WeakPolarHBondContact O-CB 3.43Å; I314-L318 VanDerWaalsContact O-CG 3.28Å; I314-L318 WeakPolarHBondContact O-CG 3.23Å; I314-L318 PolarHBondContact O-N 3.44Å; I314-L326 HydrophobicContact CG2-CD1 3.98Å; I314-V329 HydrophobicContact CG1-CG1 4.47Å; I314-F347 HydrophobicContact CD1-CZ 3.88Å; I314-F347 HydrophobicContact CG1-CE2 4.31Å; I314-F347 HydrophobicContact CG1-CZ 3.83Å |
| 315 | T | 81.2 | Confident | 79.8 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | 179.9 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | D46 L50 V311 S312 T313 L318 A319 | D46-T315 PolarHBondContact N-OG1 3.31Å; D46-T315 WeakPolarHBondContact O-CB 3.24Å; D46-T315 WeakPolarHBondContact O-CG2 3.49Å; L50-T315 HydrophobicContact CB-CG2 4.48Å; V311-T315 WeakPolarHBondContact O-CG2 3.12Å; V311-T315 PolarHBondContact O-N 3.25Å; S312-T315 WeakPolarHBondContact CA-OG1 3.47Å; S312-T315 PolarHBondContact O-N 2.9Å; S312-T315 PolarHBondContact O-OG1 3.17Å; T313-T315 PolarHBondContact O-N 2.89Å; T315-L318 PolarHBondContact O-N 3.49Å; T315-A319 PolarHBondContact O-N 3.02Å |
| 316 | I | 82.5 | Confident | 79 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -50.2 | 172.3 | -67.1 | 167.3 | 0 | 0 | 0 | 110.4 | K44 S312 T313 I314 L318 A319 | K44-I316 HydrophobicContact CB-CD1 3.75Å; K44-I316 HydrophobicContact CB-CG1 4Å; S312-I316 WeakPolarHBondContact O-CG1 3.33Å; S312-I316 PolarHBondContact O-N 2.64Å; S312-I316 VanDerWaalsContact O-N 3.16Å; T313-I316 PolarHBondContact O-N 3.37Å; I314-I316 VanDerWaalsContact C-N 3.35Å; I314-I316 PolarHBondContact O-N 3.4Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-L318 PolarHBondContact O-N 2.99Å; I316-A319 VanDerWaalsContact O-CB 3.28Å; I316-A319 WeakPolarHBondContact O-CB 3.34Å; I316-A319 PolarHBondContact O-N 3.25Å |
| 317 | V | 84.2 | Confident | 78.3 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | -179.9 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | T313 I314 A319 E320 M321 V329 E332 A334 V343 | T313-V317 WeakPolarHBondContact O-CG2 3.45Å; T313-V317 PolarHBondContact O-N 3.33Å; I314-V317 PolarHBondContact O-N 3.16Å; V317-A319 PolarHBondContact O-N 2.94Å; V317-E320 PolarHBondContact O-N 3.3Å; V317-E320 VanDerWaalsContact O-N 3.15Å; V317-M321 HydrophobicContact CG1-CE 4.47Å; V317-M321 PolarHBondContact O-N 3.22Å; V317-V329 HydrophobicContact CB-CG1 4.44Å; V317-V329 HydrophobicContact CG1-CG1 4.11Å; V317-E332 HydrophobicContact CG1-CB 3.71Å; V317-E332 HydrophobicContact CG1-CG 4.27Å; V317-A334 HydrophobicContact CG2-CB 3.66Å; V317-V343 HydrophobicContact CB-CG2 4.48Å; V317-V343 HydrophobicContact CG1-CG2 4.15Å; V317-V343 HydrophobicContact CG2-CG2 3.57Å |
| 318 | L | 79.6 | Confident | 78 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -30 | 174.8 | -74.4 | 165.7 | 0 | 0 | 0 | 112.1 | R49 I314 T315 I316 E320 M321 P324 V329 | R49-L318 PolarHBondContact NH1-O 3.22Å; I314-L318 HydrophobicContact CG2-CD1 3.62Å; I314-L318 HydrophobicContact CG2-CG 4.15Å; I314-L318 WeakPolarHBondContact O-CB 3.43Å; I314-L318 VanDerWaalsContact O-CG 3.28Å; I314-L318 WeakPolarHBondContact O-CG 3.23Å; I314-L318 PolarHBondContact O-N 3.44Å; T315-L318 PolarHBondContact O-N 3.49Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-L318 PolarHBondContact O-N 2.99Å; L318-E320 VanDerWaalsContact C-N 3.28Å; L318-E320 PolarHBondContact O-N 3.2Å; L318-M321 HydrophobicContact CB-CE 4.39Å; L318-M321 HydrophobicContact CD2-CE 3.28Å; L318-M321 HydrophobicContact CG-CE 3.98Å; L318-P324 HydrophobicContact CD2-CB 3.81Å; L318-V329 HydrophobicContact CD2-CG2 3.92Å; L318-V329 HydrophobicContact CG-CG2 4.18Å |
| 319 | A | 74.4 | Confident | 77.9 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.8 | -28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R49 T315 I316 V317 | R49-A319 VanDerWaalsContact NH1-N 3.17Å; T315-A319 PolarHBondContact O-N 3.02Å; I316-A319 VanDerWaalsContact O-CB 3.28Å; I316-A319 WeakPolarHBondContact O-CB 3.34Å; I316-A319 PolarHBondContact O-N 3.25Å; V317-A319 PolarHBondContact O-N 2.94Å |
| 320 | E | 77.8 | Confident | 77.7 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -96.2 | -15.6 | -178 | -59.4 | -169.4 | -156.5 | 0 | 0 | 113.2 | V317 L318 K335 | V317-E320 PolarHBondContact O-N 3.3Å; V317-E320 VanDerWaalsContact O-N 3.15Å; L318-E320 VanDerWaalsContact C-N 3.28Å; L318-E320 PolarHBondContact O-N 3.2Å; E320-K335 VanDerWaalsContact OE2-CD 3.27Å; E320-K335 WeakPolarHBondContact OE2-CD 3.45Å; E320-K335 WeakPolarHBondContact OE2-CE 3.32Å; E320-K335 IonicContact OE2-NZ 3Å; E320-K335 PolarHBondContact OE2-NZ 2.97Å |
| 321 | M | 74.6 | Confident | 77.7 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | trans | -75.1 | 131.9 | -179.3 | -76.4 | -164.3 | -69.6 | 0 | 0 | 112.8 | V317 L318 K323 N328 V329 E332 | V317-M321 HydrophobicContact CG1-CE 4.47Å; V317-M321 PolarHBondContact O-N 3.22Å; L318-M321 HydrophobicContact CB-CE 4.39Å; L318-M321 HydrophobicContact CD2-CE 3.28Å; L318-M321 HydrophobicContact CG-CE 3.98Å; M321-K323 VanDerWaalsContact C-N 3.26Å; M321-K323 PolarHBondContact O-N 3.29Å; M321-N328 HydrophobicContact SD-CB 4.17Å; M321-V329 HydrophobicContact CE-CB 4.43Å; M321-V329 HydrophobicContact CE-CG2 3.42Å; M321-V329 VanDerWaalsContact CE-CG2 3.42Å; M321-V329 HydrophobicContact SD-CG2 4.47Å; M321-E332 HydrophobicContact CG-CG 3.8Å; M321-E332 HydrophobicContact SD-CG 3.65Å | ||
| 322 | K | 69 | Low | 77.8 | Confident | 190 Ų | 190 | 62.5 Ų | 62.5 | 83% | 0.826 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -63.7 | -27.4 | 171.8 | -65.5 | -174.9 | 178.8 | -177.2 | 0 | 113.9 | ||
| 323 | K | 70.7 | Confident | 78 | Confident | 141 Ų | 141 | 64 Ų | 64 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -132.7 | 94.9 | 175.6 | -68.6 | -174.6 | -179.6 | -178.1 | 0 | 108.5 | M321 R325 | M321-K323 VanDerWaalsContact C-N 3.26Å; M321-K323 PolarHBondContact O-N 3.29Å; K323-R325 VanDerWaalsContact C-N 3.3Å; K323-R325 PolarHBondContact O-N 3.05Å |
| 324 | P | 69.1 | Low | 78 | Confident | 17 Ų | 17 | 64 Ų | 64 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | trans | -75.9 | 76.5 | -169.8 | 35.3 | -41.6 | 0 | 0 | 0 | 112 | A54 D55 L318 | A54-P324 HydrophobicContact CB-CG 4.27Å; D55-P324 VanDerWaalsContact O-CG 3.26Å; D55-P324 WeakPolarHBondContact O-CG 3.39Å; L318-P324 HydrophobicContact CD2-CB 3.81Å | ||
| 325 | R | 70 | Confident | 77.9 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | trans | -105.2 | 129.4 | 172.9 | -68.1 | -173.8 | 176.7 | -175 | -3.5 | 110.3 | D56 K323 L327 N328 V329 | D56-R325 IonicContact OD1-CZ 3.53Å; D56-R325 IonicContact OD1-NE 3.14Å; D56-R325 PolarHBondContact OD1-NE 3.34Å; D56-R325 IonicContact OD1-NH2 3.29Å; D56-R325 PolarHBondContact OD1-NH2 3.12Å; D56-R325 IonicContact OD2-CZ 3.85Å; D56-R325 IonicContact OD2-NE 3.61Å; D56-R325 IonicContact OD2-NH2 3.72Å; D56-R325 PolarHBondContact OD2-NH2 3Å; K323-R325 VanDerWaalsContact C-N 3.3Å; K323-R325 PolarHBondContact O-N 3.05Å; R325-L327 PolarHBondContact O-N 3.36Å; R325-L327 VanDerWaalsContact O-N 3.08Å; R325-N328 PolarHBondContact O-N 3.33Å; R325-V329 PolarHBondContact O-N 3.4Å | ||
| 326 | L | 69 | Low | 78 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34 | 179.1 | -171.8 | 67.7 | 0 | 0 | 0 | 112.7 | I314 N328 V329 | I314-L326 HydrophobicContact CG2-CD1 3.98Å; L326-N328 VanDerWaalsContact C-N 3.29Å; L326-N328 PolarHBondContact O-N 3.04Å; L326-V329 HydrophobicContact CD1-CG2 4.37Å; L326-V329 WeakPolarHBondContact O-CB 3.41Å; L326-V329 WeakPolarHBondContact O-CG2 3.38Å; L326-V329 PolarHBondContact O-N 2.96Å |
| 327 | L | 71.1 | Confident | 77.9 | Confident | 143 Ų | 143 | 70 Ų | 70 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.9 | 178.4 | -173.1 | 63.7 | 0 | 0 | 0 | 113.2 | R325 | R325-L327 PolarHBondContact O-N 3.36Å; R325-L327 VanDerWaalsContact O-N 3.08Å |
| 328 | N | 77.7 | Confident | 77.9 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -19.4 | -178.1 | -68.6 | -11.5 | 0 | 0 | 0 | 112.6 | M321 R325 L326 F330 K331 | M321-N328 HydrophobicContact SD-CB 4.17Å; R325-N328 PolarHBondContact O-N 3.33Å; L326-N328 VanDerWaalsContact C-N 3.29Å; L326-N328 PolarHBondContact O-N 3.04Å; N328-F330 PolarHBondContact O-N 3.24Å; N328-K331 PolarHBondContact O-N 3.06Å |
| 329 | V | 81.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.006 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -49.7 | -36.9 | 178.4 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | I314 V317 L318 M321 R325 L326 K331 E332 V343 | I314-V329 HydrophobicContact CG1-CG1 4.47Å; V317-V329 HydrophobicContact CB-CG1 4.44Å; V317-V329 HydrophobicContact CG1-CG1 4.11Å; L318-V329 HydrophobicContact CD2-CG2 3.92Å; L318-V329 HydrophobicContact CG-CG2 4.18Å; M321-V329 HydrophobicContact CE-CB 4.43Å; M321-V329 HydrophobicContact CE-CG2 3.42Å; M321-V329 VanDerWaalsContact CE-CG2 3.42Å; M321-V329 HydrophobicContact SD-CG2 4.47Å; R325-V329 PolarHBondContact O-N 3.4Å; L326-V329 HydrophobicContact CD1-CG2 4.37Å; L326-V329 WeakPolarHBondContact O-CB 3.41Å; L326-V329 WeakPolarHBondContact O-CG2 3.38Å; L326-V329 PolarHBondContact O-N 2.96Å; V329-K331 PolarHBondContact O-N 3.37Å; V329-E332 PolarHBondContact O-N 3.14Å; V329-V343 HydrophobicContact CG1-CG1 3.99Å |
| 330 | F | 81.7 | Confident | 78.9 | Confident | 106 Ų | 106 | 84.5 Ų | 84.5 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -69.7 | -11.4 | 179.8 | -71.2 | -81.3 | 0 | 0 | 0 | 115.2 | N328 P344 F347 | N328-F330 PolarHBondContact O-N 3.24Å; F330-P344 WeakPolarHBondContact O-CD 3.23Å; F330-P344 WeakPolarHBondContact O-CG 3.49Å; F330-F347 HydrophobicContact CD1-CD1 4.21Å; F330-F347 HydrophobicContact CD1-CE1 4.16Å; F330-F347 AromaticContact CE1-CD1 3.31Å; F330-F347 HydrophobicContact CE1-CD1 3.31Å; F330-F347 AromaticContact CE1-CE1 3.27Å; F330-F347 HydrophobicContact CE1-CE1 3.27Å; F330-F347 HydrophobicContact CE1-CG 4.28Å; F330-F347 HydrophobicContact CE1-CZ 4.25Å; F330-F347 HydrophobicContact CE2-CE1 4.43Å; F330-F347 AromaticContact CZ-CD1 3.88Å; F330-F347 HydrophobicContact CZ-CD1 3.88Å; F330-F347 AromaticContact CZ-CE1 3.44Å; F330-F347 HydrophobicContact CZ-CE1 3.44Å; F330-F347 VanDerWaalsContact CZ-CE1 3.44Å; F330-F347 HydrophobicContact CZ-CZ 4.43Å |
| 331 | K | 83.5 | Confident | 79.4 | Confident | 178 Ų | 178 | 81.8 Ų | 81.8 | 77% | 0.774 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -98 | -8.4 | 176.7 | -64.5 | -177.1 | 179.2 | 179.7 | 0 | 112.9 | N328 V329 | N328-K331 PolarHBondContact O-N 3.06Å; V329-K331 PolarHBondContact O-N 3.37Å |
| 332 | E | 86.3 | Confident | 80.2 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 42% | 0.416 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -94.6 | 169.8 | -175.5 | -60.7 | -59.9 | 158.2 | 0 | 0 | 111.9 | V317 M321 V329 V343 | V317-E332 HydrophobicContact CG1-CB 3.71Å; V317-E332 HydrophobicContact CG1-CG 4.27Å; M321-E332 HydrophobicContact CG-CG 3.8Å; M321-E332 HydrophobicContact SD-CG 3.65Å; V329-E332 PolarHBondContact O-N 3.14Å; E332-V343 WeakPolarHBondContact O-CB 3.49Å; E332-V343 VanDerWaalsContact O-CG2 3.28Å; E332-V343 WeakPolarHBondContact O-CG2 3.41Å; E332-V343 PolarHBondContact O-N 3.02Å |
| 333 | A | 86.3 | Confident | 81.1 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | Q340 I341 | A333-Q340 HydrophobicContact CB-CB 4.33Å; A333-I341 CarbonylContact C-O 3.5Å; A333-I341 WeakPolarHBondContact CA-O 3.42Å |
| 334 | A | 84.4 | Confident | 82 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V317 F336 I341 V343 L346 | V317-A334 HydrophobicContact CG2-CB 3.66Å; A334-F336 HydrophobicContact CB-CD2 4.2Å; A334-F336 HydrophobicContact CB-CE2 3.67Å; A334-I341 PolarHBondContact N-O 3.03Å; A334-I341 PolarHBondContact O-N 3.1Å; A334-V343 HydrophobicContact CB-CG2 4.26Å; A334-L346 HydrophobicContact CB-CD1 3.74Å |
| 335 | K | 81.6 | Confident | 83 | Confident | 90 Ų | 90 | 77 Ų | 77 | 39% | 0.391 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.1 | 172.7 | -66.8 | -177.1 | -171.7 | 145.6 | 0 | 110.8 | W40 E320 A339 Q340 | W40-K335 PolarHBondContact NE1-O 3.37Å; E320-K335 VanDerWaalsContact OE2-CD 3.27Å; E320-K335 WeakPolarHBondContact OE2-CD 3.45Å; E320-K335 WeakPolarHBondContact OE2-CE 3.32Å; E320-K335 IonicContact OE2-NZ 3Å; E320-K335 PolarHBondContact OE2-NZ 2.97Å; K335-A339 WeakPolarHBondContact CA-O 3.27Å; K335-Q340 HydrophobicContact CG-CG 4.38Å |
| 336 | F | 82.5 | Confident | 83.9 | Confident | 26 Ų | 26 | 73 Ų | 73 | 11% | 0.114 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 96.6 | 171 | -75.1 | -86.6 | 0 | 0 | 0 | 108.5 | F37 W40 T313 A334 N338 A339 I341 L346 | F37-F336 HydrophobicContact CB-CE1 4.38Å; F37-F336 AromaticContact CD1-CD1 3.56Å; F37-F336 HydrophobicContact CD1-CD1 3.56Å; F37-F336 HydrophobicContact CD1-CD2 4.48Å; F37-F336 AromaticContact CD1-CE1 3.24Å; F37-F336 HydrophobicContact CD1-CE1 3.24Å; F37-F336 HydrophobicContact CD1-CE2 4.2Å; F37-F336 HydrophobicContact CD1-CG 4.18Å; F37-F336 AromaticContact CD1-CZ 3.59Å; F37-F336 HydrophobicContact CD1-CZ 3.59Å; F37-F336 AromaticContact CE1-CD1 3.83Å; F37-F336 HydrophobicContact CE1-CD1 3.83Å; F37-F336 HydrophobicContact CE1-CD2 4.1Å; F37-F336 AromaticContact CE1-CE1 3.83Å; F37-F336 HydrophobicContact CE1-CE1 3.83Å; F37-F336 HydrophobicContact CE1-CE2 4.08Å; F37-F336 AromaticContact CE1-CG 3.97Å; F37-F336 HydrophobicContact CE1-CG 3.97Å; F37-F336 AromaticContact CE1-CZ 3.94Å; F37-F336 HydrophobicContact CE1-CZ 3.94Å; F37-F336 HydrophobicContact CG-CE1 4.18Å; F37-F336 HydrophobicContact CG-CZ 4.39Å; W40-F336 HydrophobicContact CB-CD1 3.89Å; W40-F336 HydrophobicContact CB-CE1 3.9Å; W40-F336 AromaticContact CD1-CD1 3.18Å; W40-F336 AromaticContact CD1-CE1 3.18Å; W40-F336 HydrophobicContact CD2-CD1 4.07Å; W40-F336 AromaticContact CG-CD1 3.43Å; W40-F336 HydrophobicContact CG-CD1 3.43Å; W40-F336 VanDerWaalsContact CG-CD1 3.43Å; W40-F336 AromaticContact CG-CE1 3.68Å; W40-F336 HydrophobicContact CG-CE1 3.68Å; W40-F336 AromaticContact NE1-CD1 3.62Å; W40-F336 AromaticContact NE1-CE1 3.95Å; T313-F336 HydrophobicContact CG2-CZ 4.38Å; A334-F336 HydrophobicContact CB-CD2 4.2Å; A334-F336 HydrophobicContact CB-CE2 3.67Å; F336-N338 PolarHBondContact O-N 3.47Å; F336-A339 PolarHBondContact N-O 3.37Å; F336-A339 WeakPolarHBondContact O-CB 3.34Å; F336-A339 PolarHBondContact O-N 3.16Å; F336-I341 HydrophobicContact CB-CD1 4.31Å; F336-I341 HydrophobicContact CD2-CB 4.39Å; F336-I341 HydrophobicContact CD2-CD1 3.76Å; F336-I341 HydrophobicContact CD2-CG1 4.19Å; F336-I341 HydrophobicContact CE2-CD1 4.46Å; F336-I341 HydrophobicContact CG-CD1 4.24Å; F336-L346 HydrophobicContact CE2-CD1 3.57Å; F336-L346 HydrophobicContact CE2-CD2 4.1Å; F336-L346 HydrophobicContact CE2-CG 4.49Å; F336-L346 HydrophobicContact CZ-CD1 4.27Å; F336-L346 HydrophobicContact CZ-CD2 4.48Å |
| 337 | G | 82.2 | Confident | 84.7 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -120.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 338 | N | 83.8 | Confident | 85.6 | Confident | 177 Ų | 177 | 66.7 Ų | 66.7 | 95% | 0.947 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8.6 | 177 | -63.4 | -12.8 | 0 | 0 | 0 | 113.3 | F336 | F336-N338 PolarHBondContact O-N 3.47Š|
| 339 | A | 86.8 | Confident | 86.3 | Confident | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | K335 F336 I341 | K335-A339 WeakPolarHBondContact CA-O 3.27Å; F336-A339 PolarHBondContact N-O 3.37Å; F336-A339 WeakPolarHBondContact O-CB 3.34Å; F336-A339 PolarHBondContact O-N 3.16Å; A339-I341 HydrophobicContact CB-CG1 4.43Å |
| 340 | Q | 87.1 | Confident | 86.7 | Confident | 142 Ų | 142 | 66.3 Ų | 66.3 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.9 | 169.9 | -68.1 | -175.3 | -13.5 | 0 | 0 | 109 | A333 K335 | A333-Q340 HydrophobicContact CB-CB 4.33Å; K335-Q340 HydrophobicContact CG-CG 4.38Å |
| 341 | I | 89.7 | Confident | 87 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.4 | -176.9 | -52.3 | 179.6 | 0 | 0 | 0 | 108.8 | F37 A333 A334 F336 A339 V343 F345 L346 | F37-I341 HydrophobicContact CE1-CD1 3.85Å; F37-I341 HydrophobicContact CZ-CD1 3.93Å; A333-I341 CarbonylContact C-O 3.5Å; A333-I341 WeakPolarHBondContact CA-O 3.42Å; A334-I341 PolarHBondContact N-O 3.03Å; A334-I341 PolarHBondContact O-N 3.1Å; F336-I341 HydrophobicContact CB-CD1 4.31Å; F336-I341 HydrophobicContact CD2-CB 4.39Å; F336-I341 HydrophobicContact CD2-CD1 3.76Å; F336-I341 HydrophobicContact CD2-CG1 4.19Å; F336-I341 HydrophobicContact CE2-CD1 4.46Å; F336-I341 HydrophobicContact CG-CD1 4.24Å; A339-I341 HydrophobicContact CB-CG1 4.43Å; I341-V343 PolarHBondContact O-N 3.11Å; I341-F345 HydrophobicContact CG2-CD1 3.75Å; I341-L346 HydrophobicContact CB-CD1 4.24Å; I341-L346 HydrophobicContact CB-CD2 4.44Å; I341-L346 HydrophobicContact CB-CG 4.32Å; I341-L346 HydrophobicContact CD1-CD2 4.37Å; I341-L346 HydrophobicContact CG2-CD1 4.12Å; I341-L346 HydrophobicContact CG2-CD2 3.84Å; I341-L346 HydrophobicContact CG2-CG 3.68Å |
| 342 | P | 91 | Very high | 87.4 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 129.3 | 175.5 | -25.3 | 34.4 | 0 | 0 | 0 | 111.3 | P344 F345 L346 | P342-P344 VanDerWaalsContact C-CD 3.43Å; P342-P344 VanDerWaalsContact C-N 3.32Å; P342-F345 HydrophobicContact CB-CB 4.49Å; P342-F345 WeakPolarHBondContact O-CB 3.19Å; P342-F345 PolarHBondContact O-N 3.2Å; P342-L346 PolarHBondContact O-N 2.78Å |
| 343 | V | 88 | Confident | 87.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.5 | -40.2 | -178.8 | 175.5 | 0 | 0 | 0 | 0 | 113.1 | V317 V329 E332 A334 I341 F345 L346 F347 | V317-V343 HydrophobicContact CB-CG2 4.48Å; V317-V343 HydrophobicContact CG1-CG2 4.15Å; V317-V343 HydrophobicContact CG2-CG2 3.57Å; V329-V343 HydrophobicContact CG1-CG1 3.99Å; E332-V343 WeakPolarHBondContact O-CB 3.49Å; E332-V343 VanDerWaalsContact O-CG2 3.28Å; E332-V343 WeakPolarHBondContact O-CG2 3.41Å; E332-V343 PolarHBondContact O-N 3.02Å; A334-V343 HydrophobicContact CB-CG2 4.26Å; I341-V343 PolarHBondContact O-N 3.11Å; V343-F345 VanDerWaalsContact C-N 3.27Å; V343-F345 PolarHBondContact O-N 2.98Å; V343-L346 PolarHBondContact O-N 2.79Å; V343-F347 HydrophobicContact CG1-CD2 3.58Å; V343-F347 HydrophobicContact CG1-CE2 3.19Å; V343-F347 HydrophobicContact CG1-CG 4.46Å; V343-F347 HydrophobicContact CG1-CZ 3.78Å; V343-F347 WeakPolarHBondContact O-CD2 3.27Å; V343-F347 PolarHBondContact O-N 3.21Å |
| 344 | P | 88.1 | Confident | 87.8 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.1 | -36 | 175.6 | -27.1 | 36.6 | 0 | 0 | 0 | 114.1 | F330 P342 F347 I348 | F330-P344 WeakPolarHBondContact O-CD 3.23Å; F330-P344 WeakPolarHBondContact O-CG 3.49Å; P342-P344 VanDerWaalsContact C-CD 3.43Å; P342-P344 VanDerWaalsContact C-N 3.32Å; P344-F347 PolarHBondContact O-N 3.25Å; P344-I348 VanDerWaalsContact O-CG1 3.29Å; P344-I348 WeakPolarHBondContact O-CG1 3.39Å; P344-I348 PolarHBondContact O-N 3.31Å |
| 345 | F | 90.4 | Very high | 88 | Confident | 126 Ų | 126 | 58.3 Ų | 58.3 | 55% | 0.553 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.4 | -44.4 | 178.3 | 176.2 | -95.6 | 0 | 0 | 0 | 111.1 | I341 P342 V343 F347 I348 F349 | I341-F345 HydrophobicContact CG2-CD1 3.75Å; P342-F345 HydrophobicContact CB-CB 4.49Å; P342-F345 WeakPolarHBondContact O-CB 3.19Å; P342-F345 PolarHBondContact O-N 3.2Å; V343-F345 VanDerWaalsContact C-N 3.27Å; V343-F345 PolarHBondContact O-N 2.98Å; F345-F347 VanDerWaalsContact C-N 3.3Å; F345-F347 PolarHBondContact O-N 3.23Å; F345-I348 PolarHBondContact O-N 3.44Å; F345-F349 PolarHBondContact O-N 3.31Å |
| 346 | L | 89 | Confident | 88.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 174.6 | -67.2 | 164.8 | 0 | 0 | 0 | 111 | F37 T313 A334 F336 I341 P342 V343 I348 F349 Y350 | F37-L346 HydrophobicContact CD2-CD2 4.36Å; F37-L346 HydrophobicContact CE1-CD2 3.91Å; F37-L346 HydrophobicContact CE2-CD2 3.76Å; F37-L346 HydrophobicContact CZ-CD2 3.5Å; F37-L346 VanDerWaalsContact CZ-CD2 3.5Å; T313-L346 HydrophobicContact CG2-CD1 4.13Å; A334-L346 HydrophobicContact CB-CD1 3.74Å; F336-L346 HydrophobicContact CE2-CD1 3.57Å; F336-L346 HydrophobicContact CE2-CD2 4.1Å; F336-L346 HydrophobicContact CE2-CG 4.49Å; F336-L346 HydrophobicContact CZ-CD1 4.27Å; F336-L346 HydrophobicContact CZ-CD2 4.48Å; I341-L346 HydrophobicContact CB-CD1 4.24Å; I341-L346 HydrophobicContact CB-CD2 4.44Å; I341-L346 HydrophobicContact CB-CG 4.32Å; I341-L346 HydrophobicContact CD1-CD2 4.37Å; I341-L346 HydrophobicContact CG2-CD1 4.12Å; I341-L346 HydrophobicContact CG2-CD2 3.84Å; I341-L346 HydrophobicContact CG2-CG 3.68Å; P342-L346 PolarHBondContact O-N 2.78Å; V343-L346 PolarHBondContact O-N 2.79Å; L346-I348 VanDerWaalsContact C-N 3.33Å; L346-I348 PolarHBondContact O-N 3.39Å; L346-F349 WeakPolarHBondContact O-CB 3.41Å; L346-F349 PolarHBondContact O-N 3.01Å; L346-F349 VanDerWaalsContact O-N 3.17Å; L346-Y350 HydrophobicContact CB-CD2 4.43Å; L346-Y350 HydrophobicContact CB-CE2 4.4Å; L346-Y350 WeakPolarHBondContact O-CD2 3.43Å; L346-Y350 PolarHBondContact O-N 2.84Å |
| 347 | F | 87.1 | Confident | 89 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | -179.6 | -81.1 | -138.1 | 0 | 0 | 0 | 111.5 | F310 I314 F330 V343 P344 F345 Y350 I351 | F310-F347 HydrophobicContact CD2-CD2 4.44Å; F310-F347 HydrophobicContact CD2-CE2 4.26Å; F310-F347 HydrophobicContact CD2-CZ 4.36Å; F310-F347 HydrophobicContact CE1-CE1 4.46Å; F310-F347 AromaticContact CE2-CD1 3.44Å; F310-F347 HydrophobicContact CE2-CD1 3.44Å; F310-F347 VanDerWaalsContact CE2-CD1 3.44Å; F310-F347 AromaticContact CE2-CD2 3.78Å; F310-F347 HydrophobicContact CE2-CD2 3.78Å; F310-F347 AromaticContact CE2-CE1 3.3Å; F310-F347 HydrophobicContact CE2-CE1 3.3Å; F310-F347 AromaticContact CE2-CE2 3.6Å; F310-F347 HydrophobicContact CE2-CE2 3.6Å; F310-F347 AromaticContact CE2-CG 3.72Å; F310-F347 HydrophobicContact CE2-CG 3.72Å; F310-F347 AromaticContact CE2-CZ 3.39Å; F310-F347 HydrophobicContact CE2-CZ 3.39Å; F310-F347 AromaticContact CZ-CD1 3.75Å; F310-F347 HydrophobicContact CZ-CD1 3.75Å; F310-F347 AromaticContact CZ-CE1 3.23Å; F310-F347 HydrophobicContact CZ-CE1 3.23Å; F310-F347 HydrophobicContact CZ-CE2 4.18Å; F310-F347 HydrophobicContact CZ-CG 4.46Å; F310-F347 AromaticContact CZ-CZ 3.49Å; F310-F347 HydrophobicContact CZ-CZ 3.49Å; F310-F347 VanDerWaalsContact CZ-CZ 3.49Å; I314-F347 HydrophobicContact CD1-CZ 3.88Å; I314-F347 HydrophobicContact CG1-CE2 4.31Å; I314-F347 HydrophobicContact CG1-CZ 3.83Å; F330-F347 HydrophobicContact CD1-CD1 4.21Å; F330-F347 HydrophobicContact CD1-CE1 4.16Å; F330-F347 AromaticContact CE1-CD1 3.31Å; F330-F347 HydrophobicContact CE1-CD1 3.31Å; F330-F347 AromaticContact CE1-CE1 3.27Å; F330-F347 HydrophobicContact CE1-CE1 3.27Å; F330-F347 HydrophobicContact CE1-CG 4.28Å; F330-F347 HydrophobicContact CE1-CZ 4.25Å; F330-F347 HydrophobicContact CE2-CE1 4.43Å; F330-F347 AromaticContact CZ-CD1 3.88Å; F330-F347 HydrophobicContact CZ-CD1 3.88Å; F330-F347 AromaticContact CZ-CE1 3.44Å; F330-F347 HydrophobicContact CZ-CE1 3.44Å; F330-F347 VanDerWaalsContact CZ-CE1 3.44Å; F330-F347 HydrophobicContact CZ-CZ 4.43Å; V343-F347 HydrophobicContact CG1-CD2 3.58Å; V343-F347 HydrophobicContact CG1-CE2 3.19Å; V343-F347 HydrophobicContact CG1-CG 4.46Å; V343-F347 HydrophobicContact CG1-CZ 3.78Å; V343-F347 WeakPolarHBondContact O-CD2 3.27Å; V343-F347 PolarHBondContact O-N 3.21Å; P344-F347 PolarHBondContact O-N 3.25Å; F345-F347 VanDerWaalsContact C-N 3.3Å; F345-F347 PolarHBondContact O-N 3.23Å; F347-Y350 PolarHBondContact O-N 3.31Å; F347-I351 WeakPolarHBondContact O-CB 3.27Å; F347-I351 VanDerWaalsContact O-CG1 3.26Å; F347-I351 WeakPolarHBondContact O-CG1 3.47Å; F347-I351 PolarHBondContact O-N 2.87Å |
| 348 | I | 89.9 | Confident | 89.1 | Confident | 103 Ų | 103 | 54 Ų | 54 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 174.1 | -68.8 | 165.1 | 0 | 0 | 0 | 109.9 | P344 F345 L346 Y350 I351 C352 | P344-I348 VanDerWaalsContact O-CG1 3.29Å; P344-I348 WeakPolarHBondContact O-CG1 3.39Å; P344-I348 PolarHBondContact O-N 3.31Å; F345-I348 PolarHBondContact O-N 3.44Å; L346-I348 VanDerWaalsContact C-N 3.33Å; L346-I348 PolarHBondContact O-N 3.39Å; I348-Y350 PolarHBondContact O-N 3.47Å; I348-I351 PolarHBondContact O-N 3.27Å; I348-C352 VanDerWaalsContact O-CB 3.27Å; I348-C352 WeakPolarHBondContact O-CB 3.44Å; I348-C352 PolarHBondContact O-N 3.39Å; I348-C352 PolarHBondContact O-SG 3.28Å |
| 349 | F | 92.4 | Very high | 89.4 | Confident | 40 Ų | 40 | 46 Ų | 46 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 177.4 | 173.9 | -98.6 | 0 | 0 | 0 | 112.5 | A30 V33 M34 F37 F345 L346 I351 C352 L353 | A30-F349 WeakPolarHBondContact O-CZ 3.33Å; V33-F349 HydrophobicContact CB-CZ 4.08Å; V33-F349 HydrophobicContact CG1-CE1 4.16Å; V33-F349 HydrophobicContact CG1-CE2 4.28Å; V33-F349 HydrophobicContact CG1-CZ 3.76Å; M34-F349 HydrophobicContact CB-CE1 4.16Å; M34-F349 HydrophobicContact CB-CZ 4.3Å; M34-F349 HydrophobicContact SD-CE1 4.24Å; F37-F349 HydrophobicContact CD2-CD1 4.22Å; F37-F349 AromaticContact CD2-CE1 3.92Å; F37-F349 HydrophobicContact CD2-CE1 3.92Å; F37-F349 HydrophobicContact CE2-CD1 4.07Å; F37-F349 AromaticContact CE2-CE1 3.99Å; F37-F349 HydrophobicContact CE2-CE1 3.99Å; F345-F349 PolarHBondContact O-N 3.31Å; L346-F349 WeakPolarHBondContact O-CB 3.41Å; L346-F349 PolarHBondContact O-N 3.01Å; L346-F349 VanDerWaalsContact O-N 3.17Å; F349-I351 PolarHBondContact O-N 3.3Å; F349-C352 PolarHBondContact O-N 2.92Å; F349-L353 HydrophobicContact CE1-CD2 4.27Å; F349-L353 HydrophobicContact CZ-CD2 3.94Å; F349-L353 WeakPolarHBondContact O-CB 3.34Å; F349-L353 PolarHBondContact O-N 2.86Å |
| 350 | Y | 89.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.8 | -48.2 | 176.5 | -83.1 | -71.9 | 0 | 0 | 0 | 111.9 | M34 F306 S309 F310 T313 L346 F347 I348 Y354 | M34-Y350 HydrophobicContact CE-CD1 3.67Å; M34-Y350 HydrophobicContact CE-CE1 3.39Å; M34-Y350 HydrophobicContact SD-CD1 3.66Å; M34-Y350 HydrophobicContact SD-CE1 3.43Å; M34-Y350 WeakPolarHBondContact SD-CE1 3.18Å; F306-Y350 HydrophobicContact CD1-CD1 4.04Å; S309-Y350 PolarHBondContact O-OH 2.93Å; S309-Y350 WeakPolarHBondContact OG-CE1 3.39Å; S309-Y350 PolarHBondContact OG-OH 3.48Å; F310-Y350 HydrophobicContact CD2-CD2 4.43Å; T313-Y350 PolarHBondContact OG1-OH 3.39Å; T313-Y350 VanDerWaalsContact OG1-OH 3.06Å; L346-Y350 HydrophobicContact CB-CD2 4.43Å; L346-Y350 HydrophobicContact CB-CE2 4.4Å; L346-Y350 WeakPolarHBondContact O-CD2 3.43Å; L346-Y350 PolarHBondContact O-N 2.84Å; F347-Y350 PolarHBondContact O-N 3.31Å; I348-Y350 PolarHBondContact O-N 3.47Å; Y350-Y354 WeakPolarHBondContact O-CB 3.25Å; Y350-Y354 PolarHBondContact O-N 3.25Å |
| 351 | I | 87 | Confident | 89.7 | Confident | 96 Ų | 96 | 39.7 Ų | 39.7 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.2 | -45.9 | -179.6 | -68.3 | 167.9 | 0 | 0 | 0 | 110.8 | F347 I348 F349 Y354 V355 L416 | F347-I351 WeakPolarHBondContact O-CB 3.27Å; F347-I351 VanDerWaalsContact O-CG1 3.26Å; F347-I351 WeakPolarHBondContact O-CG1 3.47Å; F347-I351 PolarHBondContact O-N 2.87Å; I348-I351 PolarHBondContact O-N 3.27Å; F349-I351 PolarHBondContact O-N 3.3Å; I351-Y354 PolarHBondContact O-N 3.44Å; I351-V355 HydrophobicContact CG2-CG2 4.48Å; I351-V355 WeakPolarHBondContact O-CG2 3.38Å; I351-V355 PolarHBondContact O-N 3.36Å; I351-L416 HydrophobicContact CG2-CD2 3.9Å |
| 352 | C | 92.5 | Very high | 89.6 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 179.6 | -75 | 0 | 0 | 0 | 0 | 111.5 | I348 F349 W356 L416 | I348-C352 VanDerWaalsContact O-CB 3.27Å; I348-C352 WeakPolarHBondContact O-CB 3.44Å; I348-C352 PolarHBondContact O-N 3.39Å; I348-C352 PolarHBondContact O-SG 3.28Å; F349-C352 PolarHBondContact O-N 2.92Å; C352-W356 WeakPolarHBondContact O-CB 3.43Å; C352-W356 PolarHBondContact O-N 3.38Å; C352-L416 HydrophobicContact CB-CD1 4.13Å |
| 353 | L | 93.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -36.5 | -178.5 | -174.1 | 61.5 | 0 | 0 | 0 | 112.2 | Y27 A30 M34 F306 F349 W356 T357 | Y27-L353 HydrophobicContact CE2-CD1 4.34Å; A30-L353 HydrophobicContact CB-CD1 3.87Å; M34-L353 HydrophobicContact CB-CD2 3.56Å; M34-L353 HydrophobicContact CG-CD2 3.86Å; M34-L353 HydrophobicContact SD-CD2 4.36Å; F306-L353 HydrophobicContact CE1-CB 4.17Å; F306-L353 HydrophobicContact CE1-CD2 4.33Å; F306-L353 HydrophobicContact CE1-CG 4.23Å; F306-L353 HydrophobicContact CZ-CB 4.38Å; F306-L353 HydrophobicContact CZ-CD2 4.1Å; F306-L353 HydrophobicContact CZ-CG 3.96Å; F349-L353 HydrophobicContact CE1-CD2 4.27Å; F349-L353 HydrophobicContact CZ-CD2 3.94Å; F349-L353 WeakPolarHBondContact O-CB 3.34Å; F349-L353 PolarHBondContact O-N 2.86Å; L353-W356 HydrophobicContact CD1-CE3 4.07Å; L353-W356 PolarHBondContact O-N 2.91Å; L353-T357 WeakPolarHBondContact O-CB 3.49Å; L353-T357 PolarHBondContact O-N 3.44Å; L353-T357 PolarHBondContact O-OG1 3.05Å |
| 354 | Y | 88.1 | Confident | 90 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 28% | 0.275 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.1 | -51.8 | 175.2 | 178.6 | -104.3 | 0 | 0 | 0 | 111.5 | T303 F306 Y350 I351 W356 T357 C358 | T303-Y354 PolarHBondContact OG1-OH 3.48Å; F306-Y354 HydrophobicContact CB-CD2 4.14Å; F306-Y354 HydrophobicContact CD1-CD2 4.19Å; F306-Y354 HydrophobicContact CD1-CG 4.43Å; F306-Y354 HydrophobicContact CD2-CD2 4.05Å; F306-Y354 HydrophobicContact CE2-CD2 4.49Å; F306-Y354 AromaticContact CG-CD2 3.87Å; F306-Y354 HydrophobicContact CG-CD2 3.87Å; Y350-Y354 WeakPolarHBondContact O-CB 3.25Å; Y350-Y354 PolarHBondContact O-N 3.25Å; I351-Y354 PolarHBondContact O-N 3.44Å; Y354-W356 VanDerWaalsContact C-N 3.32Å; Y354-W356 PolarHBondContact O-N 3.49Å; Y354-T357 PolarHBondContact O-N 3.47Å; Y354-C358 PolarHBondContact O-N 3.37Å; Y354-C358 PolarHBondContact O-SG 3.48Å; Y354-C358 VanDerWaalsContact O-SG 3.4Å |
| 355 | V | 87.7 | Confident | 90.2 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | I351 T357 C358 E359 A412 R415 L416 | I351-V355 HydrophobicContact CG2-CG2 4.48Å; I351-V355 WeakPolarHBondContact O-CG2 3.38Å; I351-V355 PolarHBondContact O-N 3.36Å; V355-T357 PolarHBondContact O-N 2.89Å; V355-C358 PolarHBondContact O-N 3.39Å; V355-E359 WeakPolarHBondContact O-CG 3.24Å; V355-E359 PolarHBondContact O-N 3.43Å; V355-A412 HydrophobicContact CG1-CB 4Å; V355-R415 HydrophobicContact CG1-CB 4.49Å; V355-R415 HydrophobicContact CG1-CG 4.34Å; V355-L416 HydrophobicContact CB-CD2 4.18Å; V355-L416 HydrophobicContact CB-CG 4.41Å; V355-L416 HydrophobicContact CG1-CD2 4.46Å; V355-L416 HydrophobicContact CG1-CG 4.27Å; V355-L416 HydrophobicContact CG2-CD2 4.03Å |
| 356 | W | 93.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 176.3 | -173 | 11.8 | 0 | 0 | 0 | 112.1 | W23 V26 Y27 A30 C352 L353 Y354 C358 E359 C360 I405 A409 A412 | W23-W356 HydrophobicContact CE3-CH2 4.48Å; W23-W356 HydrophobicContact CE3-CZ2 4.06Å; W23-W356 HydrophobicContact CZ3-CZ2 4.23Å; V26-W356 HydrophobicContact CG1-CH2 3.98Å; Y27-W356 AromaticContact CD2-CD2 3.8Å; Y27-W356 HydrophobicContact CD2-CD2 3.8Å; Y27-W356 AromaticContact CD2-CE2 3.65Å; Y27-W356 AromaticContact CD2-CE3 3.88Å; Y27-W356 HydrophobicContact CD2-CE3 3.88Å; Y27-W356 AromaticContact CD2-CH2 3.74Å; Y27-W356 HydrophobicContact CD2-CH2 3.74Å; Y27-W356 AromaticContact CD2-CZ2 3.65Å; Y27-W356 HydrophobicContact CD2-CZ2 3.65Å; Y27-W356 AromaticContact CD2-CZ3 3.85Å; Y27-W356 HydrophobicContact CD2-CZ3 3.85Å; Y27-W356 AromaticContact CE2-CD2 3.98Å; Y27-W356 HydrophobicContact CE2-CD2 3.98Å; Y27-W356 HydrophobicContact CE2-CE3 4.27Å; Y27-W356 HydrophobicContact CE2-CG 4.3Å; Y27-W356 HydrophobicContact CG-CH2 4.39Å; Y27-W356 HydrophobicContact CG-CZ2 4.36Å; A30-W356 HydrophobicContact CB-CZ3 4.34Å; C352-W356 WeakPolarHBondContact O-CB 3.43Å; C352-W356 PolarHBondContact O-N 3.38Å; L353-W356 HydrophobicContact CD1-CE3 4.07Å; L353-W356 PolarHBondContact O-N 2.91Å; Y354-W356 VanDerWaalsContact C-N 3.32Å; Y354-W356 PolarHBondContact O-N 3.49Å; W356-C358 PolarHBondContact O-N 3.42Å; W356-E359 PolarHBondContact O-N 2.95Å; W356-C360 PolarHBondContact NE1-SG 3.23Å; W356-C360 VanDerWaalsContact NE1-SG 3.4Å; W356-C360 PolarHBondContact O-N 3.43Å; W356-C360 PolarHBondContact O-SG 3.02Å; W356-I405 HydrophobicContact CH2-CG2 4.48Å; W356-I405 HydrophobicContact CZ2-CG2 3.5Å; W356-I405 PolarHBondContact NE1-O 3.26Å; W356-I405 VanDerWaalsContact NE1-O 3.16Å; W356-A409 HydrophobicContact CZ2-CB 4.04Å; W356-A412 HydrophobicContact CB-CB 4.11Å |
| 357 | T | 90.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Y27 W31 L353 Y354 V355 E359 C360 M361 | Y27-T357 PolarHBondContact OH-OG1 2.86Å; W31-T357 HydrophobicContact CZ2-CG2 3.79Å; W31-T357 WeakPolarHBondContact CZ2-OG1 3.44Å; L353-T357 WeakPolarHBondContact O-CB 3.49Å; L353-T357 PolarHBondContact O-N 3.44Å; L353-T357 PolarHBondContact O-OG1 3.05Å; Y354-T357 PolarHBondContact O-N 3.47Å; V355-T357 PolarHBondContact O-N 2.89Å; T357-E359 PolarHBondContact O-N 3.05Å; T357-C360 WeakPolarHBondContact O-CB 3.42Å; T357-C360 PolarHBondContact O-N 3.18Å; T357-M361 WeakPolarHBondContact O-CG 3.2Å; T357-M361 PolarHBondContact O-N 2.94Å |
| 358 | C | 86 | Confident | 91 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 18% | 0.176 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 177.2 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | Y354 V355 W356 M361 V362 | Y354-C358 PolarHBondContact O-N 3.37Å; Y354-C358 PolarHBondContact O-SG 3.48Å; Y354-C358 VanDerWaalsContact O-SG 3.4Å; V355-C358 PolarHBondContact O-N 3.39Å; W356-C358 PolarHBondContact O-N 3.42Å; C358-M361 PolarHBondContact O-N 3.16Å; C358-V362 WeakPolarHBondContact O-CG2 3.4Å; C358-V362 PolarHBondContact O-N 2.96Å; C358-V362 VanDerWaalsContact O-N 3.14Å |
| 359 | E | 89.4 | Confident | 91.1 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.4 | -36.4 | 177.3 | -60.9 | -56 | 161.6 | 0 | 0 | 112.3 | V355 W356 T357 M361 V362 A363 G408 V411 A412 R415 R458 | V355-E359 WeakPolarHBondContact O-CG 3.24Å; V355-E359 PolarHBondContact O-N 3.43Å; W356-E359 PolarHBondContact O-N 2.95Å; T357-E359 PolarHBondContact O-N 3.05Å; E359-M361 VanDerWaalsContact C-N 3.31Å; E359-M361 PolarHBondContact O-N 2.98Å; E359-V362 PolarHBondContact O-N 3.32Å; E359-A363 WeakPolarHBondContact O-CB 3.46Å; E359-A363 PolarHBondContact O-N 2.76Å; E359-G408 WeakPolarHBondContact CB-O 3.37Å; E359-V411 HydrophobicContact CB-CB 4.5Å; E359-V411 HydrophobicContact CG-CB 4.24Å; E359-V411 HydrophobicContact CG-CG1 4.02Å; E359-V411 WeakPolarHBondContact OE2-CG1 3.29Å; E359-A412 HydrophobicContact CB-CB 4.44Å; E359-A412 HydrophobicContact CG-CB 4.03Å; E359-R415 IonicContact OE1-CZ 3.64Å; E359-R415 IonicContact OE1-NE 3.23Å; E359-R415 IonicContact OE1-NH1 3.92Å; E359-R415 PolarHBondContact OE1-NH1 3.44Å; E359-R458 IonicContact OE1-CZ 2.93Å; E359-R458 IonicContact OE1-NH1 2.68Å; E359-R458 IonicContact OE1-NH2 2.98Å; E359-R458 PolarHBondContact OE1-NH2 3.23Å; E359-R458 IonicContact OE2-CZ 2.76Å; E359-R458 VanDerWaalsContact OE2-CZ 3.29Å; E359-R458 IonicContact OE2-NH1 3.35Å; E359-R458 PolarHBondContact OE2-NH1 3.08Å; E359-R458 IonicContact OE2-NH2 3.92Å; E359-R458 PolarHBondContact OE2-NH2 2.96Å; E359-R458 VanDerWaalsContact OE2-NH2 3.14Å |
| 360 | C | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 171.5 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | W356 T357 A363 F364 V404 | W356-C360 PolarHBondContact NE1-SG 3.23Å; W356-C360 VanDerWaalsContact NE1-SG 3.4Å; W356-C360 PolarHBondContact O-N 3.43Å; W356-C360 PolarHBondContact O-SG 3.02Å; T357-C360 WeakPolarHBondContact O-CB 3.42Å; T357-C360 PolarHBondContact O-N 3.18Å; C360-A363 PolarHBondContact O-N 3.14Å; C360-F364 VanDerWaalsContact O-CB 3.25Å; C360-F364 WeakPolarHBondContact O-CB 3.17Å; C360-F364 PolarHBondContact O-N 2.68Å; C360-V404 VanDerWaalsContact O-CG1 3.27Å; C360-V404 WeakPolarHBondContact O-CG1 3.33Å |
| 361 | M | 88.3 | Confident | 91.5 | Very high | 58 Ų | 58 | 23.7 Ų | 23.7 | 29% | 0.286 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65 | -40.5 | 177.4 | -69.8 | -58.1 | 98.5 | 0 | 0 | 112.2 | T357 C358 E359 F364 Q365 | T357-M361 WeakPolarHBondContact O-CG 3.2Å; T357-M361 PolarHBondContact O-N 2.94Å; C358-M361 PolarHBondContact O-N 3.16Å; E359-M361 VanDerWaalsContact C-N 3.31Å; E359-M361 PolarHBondContact O-N 2.98Å; M361-F364 PolarHBondContact O-N 2.94Å; M361-Q365 WeakPolarHBondContact O-CB 3.26Å; M361-Q365 PolarHBondContact O-N 3.39Å |
| 362 | V | 87.5 | Confident | 91.7 | Very high | 55 Ų | 55 | 19.1 Ų | 19.1 | 33% | 0.333 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -63.7 | -45 | 174.8 | 174 | 0 | 0 | 0 | 0 | 111 | C358 E359 Q365 C366 | C358-V362 WeakPolarHBondContact O-CG2 3.4Å; C358-V362 PolarHBondContact O-N 2.96Å; C358-V362 VanDerWaalsContact O-N 3.14Å; E359-V362 PolarHBondContact O-N 3.32Å; V362-Q365 PolarHBondContact O-N 3.05Å; V362-C366 WeakPolarHBondContact O-CB 3.19Å; V362-C366 PolarHBondContact O-N 3.03Å |
| 363 | A | 93.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 17 Ų | 17 | 7% | 0.066 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E359 C360 C366 L367 V404 A407 M465 | E359-A363 WeakPolarHBondContact O-CB 3.46Å; E359-A363 PolarHBondContact O-N 2.76Å; C360-A363 PolarHBondContact O-N 3.14Å; A363-C366 PolarHBondContact O-N 2.7Å; A363-L367 PolarHBondContact O-N 2.7Å; A363-V404 HydrophobicContact CB-CG1 4.07Å; A363-A407 HydrophobicContact CB-CB 4.19Å; A363-M465 HydrophobicContact CB-CE 4.04Å |
| 364 | F | 93.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 16.8 Ų | 16.8 | 16% | 0.162 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.2 | -51.3 | 175.7 | -179 | -92.3 | 0 | 0 | 0 | 111 | C360 M361 C366 L367 A368 V393 V396 L397 V404 | C360-F364 VanDerWaalsContact O-CB 3.25Å; C360-F364 WeakPolarHBondContact O-CB 3.17Å; C360-F364 PolarHBondContact O-N 2.68Å; M361-F364 PolarHBondContact O-N 2.94Å; F364-C366 VanDerWaalsContact C-N 3.33Å; F364-C366 PolarHBondContact O-N 3.36Å; F364-L367 PolarHBondContact O-N 2.84Å; F364-A368 HydrophobicContact CE1-CB 4.3Å; F364-A368 WeakPolarHBondContact O-CB 3.42Å; F364-A368 PolarHBondContact O-N 3.29Å; F364-V393 HydrophobicContact CE1-CG1 4.37Å; F364-V393 HydrophobicContact CZ-CG1 3.95Å; F364-V396 HydrophobicContact CD2-CB 4.34Å; F364-V396 HydrophobicContact CD2-CG1 3.45Å; F364-V396 VanDerWaalsContact CD2-CG1 3.45Å; F364-V396 HydrophobicContact CE2-CB 3.9Å; F364-V396 HydrophobicContact CE2-CG1 3.44Å; F364-V396 VanDerWaalsContact CE2-CG1 3.44Å; F364-V396 HydrophobicContact CG-CG1 4.45Å; F364-V396 HydrophobicContact CZ-CG1 4.43Å; F364-L397 HydrophobicContact CE2-CD2 3.75Å; F364-L397 HydrophobicContact CE2-CG 3.94Å; F364-L397 HydrophobicContact CZ-CD2 4.12Å; F364-L397 HydrophobicContact CZ-CG 4.06Å; F364-V404 HydrophobicContact CB-CG1 3.81Å |
| 365 | Q | 91.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 179.4 | -174 | -176.9 | 14.5 | 0 | 0 | 111 | L291 M361 V362 L367 A368 I369 V553 | L291-Q365 HydrophobicContact CD2-CG 3.97Å; L291-Q365 HydrophobicContact CG-CG 4.3Å; M361-Q365 WeakPolarHBondContact O-CB 3.26Å; M361-Q365 PolarHBondContact O-N 3.39Å; V362-Q365 PolarHBondContact O-N 3.05Å; Q365-L367 PolarHBondContact O-N 3.45Å; Q365-A368 PolarHBondContact O-N 3.46Å; Q365-I369 HydrophobicContact CG-CD1 3.86Å; Q365-I369 WeakPolarHBondContact O-CB 3.34Å; Q365-I369 WeakPolarHBondContact O-CD1 3.3Å; Q365-I369 VanDerWaalsContact O-CG1 3.24Å; Q365-I369 WeakPolarHBondContact O-CG1 3.4Å; Q365-I369 PolarHBondContact O-N 3.31Å; Q365-V553 VanDerWaalsContact NE2-CG2 3.32Å |
| 366 | C | 93.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 7% | 0.068 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | 177.5 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | V362 A363 F364 I369 S370 M465 | V362-C366 WeakPolarHBondContact O-CB 3.19Å; V362-C366 PolarHBondContact O-N 3.03Å; A363-C366 PolarHBondContact O-N 2.7Å; F364-C366 VanDerWaalsContact C-N 3.33Å; F364-C366 PolarHBondContact O-N 3.36Å; C366-I369 PolarHBondContact O-N 3.46Å; C366-S370 WeakPolarHBondContact O-CB 3.47Å; C366-S370 PolarHBondContact O-N 2.99Å; C366-S370 PolarHBondContact O-OG 3.44Å; C366-M465 HydrophobicContact CB-CG 4.41Å |
| 367 | L | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -70.5 | -40.1 | -178.9 | -173.3 | 59.5 | 0 | 0 | 0 | 112.9 | A363 F364 Q365 I369 S370 I371 V396 H400 V404 M465 I468 A469 | A363-L367 PolarHBondContact O-N 2.7Å; F364-L367 PolarHBondContact O-N 2.84Å; Q365-L367 PolarHBondContact O-N 3.45Å; L367-I369 PolarHBondContact O-N 3.07Å; L367-S370 PolarHBondContact O-N 3.27Å; L367-I371 HydrophobicContact CD1-CD1 4.3Å; L367-I371 HydrophobicContact CD1-CG1 4.28Å; L367-I371 HydrophobicContact CG-CD1 4.08Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.07Å; L367-I371 VanDerWaalsContact O-N 3.07Å; L367-V396 HydrophobicContact CB-CG2 4.09Å; L367-V396 HydrophobicContact CD2-CG1 4.17Å; L367-V396 HydrophobicContact CD2-CG2 3.89Å; L367-V396 HydrophobicContact CG-CG2 3.69Å; L367-H400 HydrophobicContact CD2-CB 3.5Å; L367-V404 HydrophobicContact CB-CG2 4.46Å; L367-V404 HydrophobicContact CD2-CG2 3.94Å; L367-M465 HydrophobicContact CB-CB 4.25Å; L367-M465 HydrophobicContact CB-CG 4.2Å; L367-M465 HydrophobicContact CB-SD 3.77Å; L367-M465 HydrophobicContact CD1-CB 4.07Å; L367-M465 WeakPolarHBondContact CD1-O 3.35Å; L367-M465 HydrophobicContact CD1-SD 4.09Å; L367-M465 HydrophobicContact CD2-SD 3.99Å; L367-M465 HydrophobicContact CG-SD 4.16Å; L367-I468 HydrophobicContact CD1-CB 4.05Å; L367-I468 HydrophobicContact CD1-CG2 3.94Å; L367-I468 HydrophobicContact CD2-CG2 4.23Å; L367-A469 HydrophobicContact CD1-CB 4.34Å |
| 368 | A | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.8 | -29.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L291 F364 Q365 P372 V393 V396 | L291-A368 HydrophobicContact CD2-CB 4.25Å; F364-A368 HydrophobicContact CE1-CB 4.3Å; F364-A368 WeakPolarHBondContact O-CB 3.42Å; F364-A368 PolarHBondContact O-N 3.29Å; Q365-A368 PolarHBondContact O-N 3.46Å; A368-P372 WeakPolarHBondContact O-CD 3.22Å; A368-P372 VanDerWaalsContact O-CG 3.31Å; A368-P372 WeakPolarHBondContact O-CG 3.44Å; A368-V393 HydrophobicContact CB-CG2 4.15Å; A368-V396 HydrophobicContact CB-CG2 4.2Å |
| 369 | I | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -80.9 | -41.9 | 170.3 | -66.6 | 165.7 | 0 | 0 | 0 | 111 | L288 L291 Q365 C366 L367 I371 P372 V373 V553 I557 | L288-I369 HydrophobicContact CD2-CG1 4.44Å; L291-I369 HydrophobicContact CD2-CD1 4.13Å; L291-I369 HydrophobicContact CD2-CG1 3.69Å; Q365-I369 HydrophobicContact CG-CD1 3.86Å; Q365-I369 WeakPolarHBondContact O-CB 3.34Å; Q365-I369 WeakPolarHBondContact O-CD1 3.3Å; Q365-I369 VanDerWaalsContact O-CG1 3.24Å; Q365-I369 WeakPolarHBondContact O-CG1 3.4Å; Q365-I369 PolarHBondContact O-N 3.31Å; C366-I369 PolarHBondContact O-N 3.46Å; L367-I369 PolarHBondContact O-N 3.07Å; I369-I371 VanDerWaalsContact C-N 3.31Å; I369-I371 PolarHBondContact O-N 3.43Å; I369-P372 WeakPolarHBondContact O-CD 3.35Å; I369-P372 VanDerWaalsContact O-CG 3.27Å; I369-P372 WeakPolarHBondContact O-CG 3.3Å; I369-V373 HydrophobicContact CG2-CG2 3.94Å; I369-V373 WeakPolarHBondContact O-CB 3.32Å; I369-V373 WeakPolarHBondContact O-CG2 3.42Å; I369-V373 PolarHBondContact O-N 3.34Å; I369-V553 HydrophobicContact CD1-CB 4.19Å; I369-V553 HydrophobicContact CD1-CG1 3.89Å; I369-V553 HydrophobicContact CD1-CG2 4.18Å; I369-I557 HydrophobicContact CG2-CG1 3.55Å |
| 370 | S | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | -174.8 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | C366 L367 V373 A374 A469 T560 | C366-S370 WeakPolarHBondContact O-CB 3.47Å; C366-S370 PolarHBondContact O-N 2.99Å; C366-S370 PolarHBondContact O-OG 3.44Å; L367-S370 PolarHBondContact O-N 3.27Å; S370-V373 PolarHBondContact O-N 2.96Å; S370-A374 WeakPolarHBondContact O-CB 3.5Å; S370-A374 PolarHBondContact O-N 3.11Å; S370-A469 VanDerWaalsContact C-CB 3.49Å; S370-T560 PolarHBondContact OG-OG1 2.88Å; S370-T560 VanDerWaalsContact OG-OG1 3.04Å |
| 371 | I | 93.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -58.2 | -179.5 | -69.2 | 160.9 | 0 | 0 | 0 | 113 | L367 I369 V373 A374 N375 I395 V396 A469 | L367-I371 HydrophobicContact CD1-CD1 4.3Å; L367-I371 HydrophobicContact CD1-CG1 4.28Å; L367-I371 HydrophobicContact CG-CD1 4.08Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.07Å; L367-I371 VanDerWaalsContact O-N 3.07Å; I369-I371 VanDerWaalsContact C-N 3.31Å; I369-I371 PolarHBondContact O-N 3.43Å; I371-V373 VanDerWaalsContact C-N 3.3Å; I371-V373 PolarHBondContact O-N 3.26Å; I371-A374 PolarHBondContact O-N 3.25Å; I371-N375 WeakPolarHBondContact O-CB 3.13Å; I371-N375 PolarHBondContact O-N 3.04Å; I371-N375 PolarHBondContact O-ND2 3.45Å; I371-I395 HydrophobicContact CD1-CB 4.17Å; I371-I395 HydrophobicContact CD1-CG2 3.73Å; I371-I395 HydrophobicContact CG2-CD1 3.95Å; I371-V396 HydrophobicContact CD1-CG2 3.53Å; I371-A469 HydrophobicContact CG1-CB 3.91Å |
| 372 | P | 91.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 179.5 | 23.7 | -33.5 | 0 | 0 | 0 | 112.8 | M285 L288 A368 I369 R376 L388 | M285-P372 WeakPolarHBondContact CE-O 3.38Å; M285-P372 HydrophobicContact SD-CB 3.79Å; L288-P372 HydrophobicContact CD2-CG 4.13Å; A368-P372 WeakPolarHBondContact O-CD 3.22Å; A368-P372 VanDerWaalsContact O-CG 3.31Å; A368-P372 WeakPolarHBondContact O-CG 3.44Å; I369-P372 WeakPolarHBondContact O-CD 3.35Å; I369-P372 VanDerWaalsContact O-CG 3.27Å; I369-P372 WeakPolarHBondContact O-CG 3.3Å; P372-R376 WeakPolarHBondContact O-CB 3.34Å; P372-R376 PolarHBondContact O-N 3.03Å; P372-L388 HydrophobicContact CB-CB 3.89Å; P372-L388 WeakPolarHBondContact CB-O 3.27Å |
| 373 | V | 92 | Very high | 84.7 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -49.2 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | T281 I369 S370 I371 R376 L377 I557 T560 L561 | T281-V373 HydrophobicContact CG2-CG2 3.95Å; I369-V373 HydrophobicContact CG2-CG2 3.94Å; I369-V373 WeakPolarHBondContact O-CB 3.32Å; I369-V373 WeakPolarHBondContact O-CG2 3.42Å; I369-V373 PolarHBondContact O-N 3.34Å; S370-V373 PolarHBondContact O-N 2.96Å; I371-V373 VanDerWaalsContact C-N 3.3Å; I371-V373 PolarHBondContact O-N 3.26Å; V373-R376 PolarHBondContact O-N 3.28Å; V373-L377 PolarHBondContact O-N 3.22Å; V373-L377 VanDerWaalsContact O-N 3.13Å; V373-I557 HydrophobicContact CG2-CG1 4.12Å; V373-I557 HydrophobicContact CG2-CG2 4.33Å; V373-T560 HydrophobicContact CB-CG2 4.1Å; V373-T560 HydrophobicContact CG1-CG2 3.84Å; V373-L561 HydrophobicContact CG1-CD2 3.74Å; V373-L561 HydrophobicContact CG1-CG 3.84Å |
| 374 | A | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S370 I371 R376 L377 F378 A469 V470 | S370-A374 WeakPolarHBondContact O-CB 3.5Å; S370-A374 PolarHBondContact O-N 3.11Å; I371-A374 PolarHBondContact O-N 3.25Å; A374-R376 VanDerWaalsContact C-N 3.32Å; A374-R376 PolarHBondContact O-N 3.02Å; A374-L377 PolarHBondContact O-N 3.13Å; A374-L377 VanDerWaalsContact O-N 3.13Å; A374-F378 VanDerWaalsContact O-CD2 3.27Å; A374-F378 WeakPolarHBondContact O-CD2 3.29Å; A374-F378 PolarHBondContact O-N 3.07Å; A374-A469 HydrophobicContact CB-CB 4.21Å; A374-V470 HydrophobicContact CB-CG2 3.93Å |
| 375 | N | 88 | Confident | 81.7 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -42.5 | 176.2 | -84.1 | -28.9 | 0 | 0 | 0 | 112.3 | V12 I371 L377 N379 | V12-N375 WeakPolarHBondContact CG1-OD1 3.28Å; I371-N375 WeakPolarHBondContact O-CB 3.13Å; I371-N375 PolarHBondContact O-N 3.04Å; I371-N375 PolarHBondContact O-ND2 3.45Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.23Å; N375-N379 VanDerWaalsContact O-CA 3.32Å; N375-N379 WeakPolarHBondContact O-CA 3.27Å; N375-N379 VanDerWaalsContact O-CB 3.24Å; N375-N379 WeakPolarHBondContact O-CB 3.27Å; N375-N379 PolarHBondContact O-N 3.36Å |
| 376 | R | 84.8 | Confident | 80.4 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.8 | 172.2 | -177.9 | 176.9 | 82.6 | 1.6 | 112.4 | M285 P372 V373 A374 | M285-R376 HydrophobicContact CE-CB 3.36Å; M285-R376 HydrophobicContact CE-CG 3.86Å; P372-R376 WeakPolarHBondContact O-CB 3.34Å; P372-R376 PolarHBondContact O-N 3.03Å; V373-R376 PolarHBondContact O-N 3.28Å; A374-R376 VanDerWaalsContact C-N 3.32Å; A374-R376 PolarHBondContact O-N 3.02Å |
| 377 | L | 84.7 | Confident | 79.5 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.2 | -42.7 | -175.1 | -171.1 | 67.1 | 0 | 0 | 0 | 111.5 | V373 A374 N375 L561 C564 | V373-L377 PolarHBondContact O-N 3.22Å; V373-L377 VanDerWaalsContact O-N 3.13Å; A374-L377 PolarHBondContact O-N 3.13Å; A374-L377 VanDerWaalsContact O-N 3.13Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.23Å; L377-L561 HydrophobicContact CD2-CD2 4.36Å; L377-C564 HydrophobicContact CD2-CB 3.44Å; L377-C564 VanDerWaalsContact CD2-CB 3.44Å |
| 378 | F | 84.8 | Confident | 78.7 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -97.1 | -34.2 | -173.4 | -63.5 | -60.7 | 0 | 0 | 0 | 113.9 | A7 V10 V12 A374 V470 C564 V568 | A7-F378 HydrophobicContact CB-CD1 4.45Å; A7-F378 HydrophobicContact CB-CE1 4.49Å; V10-F378 HydrophobicContact CB-CD1 3.7Å; V10-F378 HydrophobicContact CB-CE1 3.59Å; V10-F378 HydrophobicContact CB-CG 4.4Å; V10-F378 HydrophobicContact CB-CZ 4.19Å; V10-F378 HydrophobicContact CG1-CD1 3.81Å; V10-F378 HydrophobicContact CG1-CD2 4.19Å; V10-F378 HydrophobicContact CG1-CE1 3.6Å; V10-F378 HydrophobicContact CG1-CE2 3.98Å; V10-F378 HydrophobicContact CG1-CG 4.11Å; V10-F378 HydrophobicContact CG1-CZ 3.68Å; V10-F378 HydrophobicContact CG2-CE1 4.07Å; V12-F378 HydrophobicContact CG2-CB 3.69Å; V12-F378 HydrophobicContact CG2-CD2 3.56Å; V12-F378 HydrophobicContact CG2-CG 4.01Å; A374-F378 VanDerWaalsContact O-CD2 3.27Å; A374-F378 WeakPolarHBondContact O-CD2 3.29Å; A374-F378 PolarHBondContact O-N 3.07Å; F378-V470 HydrophobicContact CD2-CG2 4.43Å; F378-V470 HydrophobicContact CE2-CG2 3.88Å; F378-C564 HydrophobicContact CE2-CB 3.91Å; F378-C564 HydrophobicContact CZ-CB 3.85Å; F378-V568 HydrophobicContact CE1-CG2 3.51Å; F378-V568 HydrophobicContact CZ-CG2 3.98Å |
| 379 | N | 77.3 | Confident | 78 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | trans | -102.4 | 74.1 | 178.7 | -84.4 | -32.4 | 0 | 0 | 0 | 111.5 | N375 N381 | N375-N379 VanDerWaalsContact O-CA 3.32Å; N375-N379 WeakPolarHBondContact O-CA 3.27Å; N375-N379 VanDerWaalsContact O-CB 3.24Å; N375-N379 WeakPolarHBondContact O-CB 3.27Å; N375-N379 PolarHBondContact O-N 3.36Å; N379-N381 PolarHBondContact O-N 3.34Å | ||
| 380 | K | 67.6 | Low | 77.6 | Confident | 137 Ų | 137 | 62.7 Ų | 62.7 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.3 | 178.8 | -69.9 | -174.6 | -178.7 | 177.1 | 0 | 114.1 | E4 | E4-K380 IonicContact OE1-NZ 2.65Å; E4-K380 PolarHBondContact OE1-NZ 2.63Å |
| 381 | N | 62.1 | Low | 77.3 | Confident | 165 Ų | 165 | 66.4 Ų | 66.4 | 88% | 0.882 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5 | -168.9 | -72.5 | -2.5 | 0 | 0 | 0 | 116.5 | N379 | N379-N381 PolarHBondContact O-N 3.34Š|
| 382 | K | 57.6 | Low | 77.2 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | trans | -84.5 | 123 | -179.7 | -66.4 | -173.8 | -179 | 176.5 | 0 | 111.2 | D14 | D14-K382 IonicContact OD1-NZ 3.16Å; D14-K382 IonicContact OD2-NZ 3.25Å | ||
| 383 | S | 53.9 | Low | 77.2 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -75.3 | -32.6 | -172.1 | 68 | 0 | 0 | 0 | 0 | 114.6 | K385 | S383-K385 PolarHBondContact O-N 3.04Š|
| 384 | H | 56.5 | Low | 77.3 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 65% | 0.653 | 36% | 0.356 | S | S | * | . | trans | -86.6 | 72.5 | -172.4 | -65.8 | -68.4 | 0 | 0 | 0 | 113.3 | W386 L388 | H384-W386 PolarHBondContact O-N 3.08Å; H384-L388 WeakPolarHBondContact O-CD1 3.35Å | ||
| 385 | K | 65.5 | Low | 77.4 | Confident | 90 Ų | 90 | 75.7 Ų | 75.7 | 39% | 0.391 | 36% | 0.36 | S | S | . | . | trans | -71.8 | -24.3 | -169.5 | -66.6 | 172.9 | -176.2 | 171.5 | 0 | 115.6 | F284 S383 | F284-K385 HydrophobicContact CD1-CD 4.36Å; S383-K385 PolarHBondContact O-N 3.04Å | ||
| 386 | W | 64.9 | Low | 77.8 | Confident | 184 Ų | 184 | 75 Ų | 75 | 70% | 0.697 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.2 | -37.6 | -177 | -90.9 | 51 | 0 | 0 | 0 | 113.8 | P286 H384 L388 | P286-W386 HydrophobicContact CG-CZ2 4.22Å; H384-W386 PolarHBondContact O-N 3.08Å; W386-L388 VanDerWaalsContact C-N 3.27Å; W386-L388 PolarHBondContact O-N 3.31Å |
| 387 | F | 74.5 | Confident | 78.3 | Confident | 139 Ų | 139 | 77.9 Ų | 77.9 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.3 | -176.1 | -66.7 | -71.8 | 0 | 0 | 0 | 114 | G389 I390 Q391 | F387-G389 PolarHBondContact O-N 3.14Å; F387-I390 HydrophobicContact CD1-CD1 4.24Å; F387-I390 PolarHBondContact O-N 3.29Å; F387-I390 VanDerWaalsContact O-N 3.13Å; F387-Q391 PolarHBondContact O-N 3.29Å |
| 388 | L | 78.7 | Confident | 78.8 | Confident | 21 Ų | 21 | 83.4 Ų | 83.4 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.9 | -37.5 | 179.9 | -94.9 | 63.4 | 0 | 0 | 0 | 112.3 | M285 P372 H384 W386 Q391 G392 | M285-L388 HydrophobicContact CE-CD2 4.16Å; M285-L388 HydrophobicContact SD-CB 4.05Å; M285-L388 HydrophobicContact SD-CD2 4.35Å; P372-L388 HydrophobicContact CB-CB 3.89Å; P372-L388 WeakPolarHBondContact CB-O 3.27Å; H384-L388 WeakPolarHBondContact O-CD1 3.35Å; W386-L388 VanDerWaalsContact C-N 3.27Å; W386-L388 PolarHBondContact O-N 3.31Å; L388-Q391 WeakPolarHBondContact O-CB 3.32Å; L388-Q391 PolarHBondContact O-N 2.73Å; L388-G392 PolarHBondContact O-N 3Å |
| 389 | G | 79.9 | Confident | 79.4 | Confident | 8 Ų | 8 | 86 Ų | 86 | 8% | 0.082 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F387 Q391 G392 V393 | F387-G389 PolarHBondContact O-N 3.14Å; G389-Q391 VanDerWaalsContact C-N 3.35Å; G389-G392 PolarHBondContact O-N 2.97Å; G389-V393 PolarHBondContact O-N 2.88Å |
| 390 | I | 86 | Confident | 80.4 | Confident | 94 Ų | 94 | 83.5 Ų | 83.5 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.3 | -54.2 | -173.3 | 0 | 0 | 0 | 110.4 | L287 F387 G392 V393 F394 | L287-I390 HydrophobicContact CD2-CD1 3.77Å; L287-I390 HydrophobicContact CD2-CG1 3.35Å; F387-I390 HydrophobicContact CD1-CD1 4.24Å; F387-I390 PolarHBondContact O-N 3.29Å; F387-I390 VanDerWaalsContact O-N 3.13Å; I390-G392 VanDerWaalsContact C-N 3.25Å; I390-G392 PolarHBondContact O-N 3.3Å; I390-V393 WeakPolarHBondContact O-CB 3.35Å; I390-V393 PolarHBondContact O-N 3.45Å; I390-V393 VanDerWaalsContact O-N 3.16Å; I390-F394 PolarHBondContact O-N 2.91Å |
| 391 | Q | 87.6 | Confident | 81.8 | Confident | 77 Ų | 77 | 79.1 Ų | 79.1 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | 176.9 | -171 | -172.9 | -4.7 | 0 | 0 | 111.2 | F387 L388 G389 F394 I395 | F387-Q391 PolarHBondContact O-N 3.29Å; L388-Q391 WeakPolarHBondContact O-CB 3.32Å; L388-Q391 PolarHBondContact O-N 2.73Å; G389-Q391 VanDerWaalsContact C-N 3.35Å; Q391-F394 PolarHBondContact O-N 3.36Å; Q391-I395 HydrophobicContact CG-CD1 3.81Å; Q391-I395 HydrophobicContact CG-CG1 4.38Å; Q391-I395 WeakPolarHBondContact O-CB 3.41Å; Q391-I395 VanDerWaalsContact O-CG1 3.24Å; Q391-I395 WeakPolarHBondContact O-CG1 3.2Å; Q391-I395 PolarHBondContact O-N 2.81Å |
| 392 | G | 91.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.6 | -52.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L388 G389 I390 F394 I395 V396 | L388-G392 PolarHBondContact O-N 3Å; G389-G392 PolarHBondContact O-N 2.97Å; I390-G392 VanDerWaalsContact C-N 3.25Å; I390-G392 PolarHBondContact O-N 3.3Å; G392-F394 PolarHBondContact O-N 2.9Å; G392-I395 PolarHBondContact O-N 3.15Å; G392-V396 WeakPolarHBondContact O-CG2 3.45Å; G392-V396 PolarHBondContact O-N 3.07Å |
| 393 | V | 92.6 | Very high | 85.4 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 177.5 | 175 | 0 | 0 | 0 | 0 | 111.4 | L291 F364 A368 G389 I390 V396 L397 | L291-V393 HydrophobicContact CD1-CG2 4.01Å; F364-V393 HydrophobicContact CE1-CG1 4.37Å; F364-V393 HydrophobicContact CZ-CG1 3.95Å; A368-V393 HydrophobicContact CB-CG2 4.15Å; G389-V393 PolarHBondContact O-N 2.88Å; I390-V393 WeakPolarHBondContact O-CB 3.35Å; I390-V393 PolarHBondContact O-N 3.45Å; I390-V393 VanDerWaalsContact O-N 3.16Å; V393-V396 PolarHBondContact O-N 3.15Å; V393-L397 HydrophobicContact CG1-CD1 4.08Å; V393-L397 WeakPolarHBondContact O-CG 3.19Å; V393-L397 PolarHBondContact O-N 2.94Å |
| 394 | F | 93.2 | Very high | 87.5 | Confident | 140 Ų | 140 | 62.5 Ų | 62.5 | 61% | 0.614 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65 | -42 | -179.2 | -173.7 | -96.6 | 0 | 0 | 0 | 112.7 | I390 Q391 G392 V396 L397 R398 | I390-F394 PolarHBondContact O-N 2.91Å; Q391-F394 PolarHBondContact O-N 3.36Å; G392-F394 PolarHBondContact O-N 2.9Å; F394-V396 VanDerWaalsContact C-N 3.33Å; F394-V396 PolarHBondContact O-N 3.19Å; F394-L397 PolarHBondContact O-N 3.46Å; F394-R398 WeakPolarHBondContact O-CB 3.19Å; F394-R398 PolarHBondContact O-N 3.15Å |
| 395 | I | 93.9 | Very high | 89.5 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.8 | -71.6 | 169.2 | 0 | 0 | 0 | 110.8 | R16 I371 Q391 G392 R398 Y399 | R16-I395 VanDerWaalsContact CD-CG2 3.45Å; I371-I395 HydrophobicContact CD1-CB 4.17Å; I371-I395 HydrophobicContact CD1-CG2 3.73Å; I371-I395 HydrophobicContact CG2-CD1 3.95Å; Q391-I395 HydrophobicContact CG-CD1 3.81Å; Q391-I395 HydrophobicContact CG-CG1 4.38Å; Q391-I395 WeakPolarHBondContact O-CB 3.41Å; Q391-I395 VanDerWaalsContact O-CG1 3.24Å; Q391-I395 WeakPolarHBondContact O-CG1 3.2Å; Q391-I395 PolarHBondContact O-N 2.81Å; G392-I395 PolarHBondContact O-N 3.15Å; I395-R398 PolarHBondContact O-N 3.02Å; I395-Y399 HydrophobicContact CG2-CD2 4.21Å; I395-Y399 PolarHBondContact O-N 3.38Å |
| 396 | V | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -61 | -50.9 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | F364 L367 A368 I371 G392 V393 F394 R398 Y399 H400 V401 V404 | F364-V396 HydrophobicContact CD2-CB 4.34Å; F364-V396 HydrophobicContact CD2-CG1 3.45Å; F364-V396 VanDerWaalsContact CD2-CG1 3.45Å; F364-V396 HydrophobicContact CE2-CB 3.9Å; F364-V396 HydrophobicContact CE2-CG1 3.44Å; F364-V396 VanDerWaalsContact CE2-CG1 3.44Å; F364-V396 HydrophobicContact CG-CG1 4.45Å; F364-V396 HydrophobicContact CZ-CG1 4.43Å; L367-V396 HydrophobicContact CB-CG2 4.09Å; L367-V396 HydrophobicContact CD2-CG1 4.17Å; L367-V396 HydrophobicContact CD2-CG2 3.89Å; L367-V396 HydrophobicContact CG-CG2 3.69Å; A368-V396 HydrophobicContact CB-CG2 4.2Å; I371-V396 HydrophobicContact CD1-CG2 3.53Å; G392-V396 WeakPolarHBondContact O-CG2 3.45Å; G392-V396 PolarHBondContact O-N 3.07Å; V393-V396 PolarHBondContact O-N 3.15Å; F394-V396 VanDerWaalsContact C-N 3.33Å; F394-V396 PolarHBondContact O-N 3.19Å; V396-R398 PolarHBondContact O-N 3.49Å; V396-Y399 PolarHBondContact O-N 3.48Å; V396-H400 CarbonylContact O-C 3.41Å; V396-H400 PolarHBondContact O-N 3.29Å; V396-V401 WeakPolarHBondContact O-CG2 3.41Å; V396-V401 PolarHBondContact O-N 2.9Å; V396-V401 VanDerWaalsContact O-N 3.08Å; V396-V404 HydrophobicContact CG1-CG2 3.8Å |
| 397 | L | 95.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 54% | 0.539 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -59 | -35.2 | 180 | -72.1 | 172.5 | 0 | 0 | 0 | 112.7 | F364 V393 F394 V401 | F364-L397 HydrophobicContact CE2-CD2 3.75Å; F364-L397 HydrophobicContact CE2-CG 3.94Å; F364-L397 HydrophobicContact CZ-CD2 4.12Å; F364-L397 HydrophobicContact CZ-CG 4.06Å; V393-L397 HydrophobicContact CG1-CD1 4.08Å; V393-L397 WeakPolarHBondContact O-CG 3.19Å; V393-L397 PolarHBondContact O-N 2.94Å; F394-L397 PolarHBondContact O-N 3.46Å; L397-V401 HydrophobicContact CD2-CG2 4.49Å; L397-V401 WeakPolarHBondContact O-CG2 3.4Å |
| 398 | R | 95.9 | Very high | 93.7 | Very high | 132 Ų | 132 | 37.9 Ų | 37.9 | 50% | 0.498 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -82.4 | -34.9 | -176.2 | -177 | 60.6 | -176.9 | 88.1 | -3.4 | 114.4 | F394 I395 V396 | F394-R398 WeakPolarHBondContact O-CB 3.19Å; F394-R398 PolarHBondContact O-N 3.15Å; I395-R398 PolarHBondContact O-N 3.02Å; V396-R398 PolarHBondContact O-N 3.49Å |
| 399 | Y | 96.7 | Very high | 94.5 | Very high | 74 Ų | 74 | 37.6 Ų | 37.6 | 29% | 0.29 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -127.6 | -28.5 | -167.2 | -57.7 | -70.2 | 0 | 0 | 0 | 114.9 | R16 C18 T19 I395 V396 | R16-Y399 HydrophobicContact CB-CD1 4.09Å; R16-Y399 HydrophobicContact CB-CD2 3.92Å; R16-Y399 HydrophobicContact CB-CE2 4.38Å; R16-Y399 HydrophobicContact CB-CG 3.76Å; C18-Y399 CarbonylContact C-O 3.57Å; C18-Y399 WeakPolarHBondContact CA-O 3.29Å; T19-Y399 PolarHBondContact N-O 3.47Å; T19-Y399 PolarHBondContact OG1-O 3.37Å; T19-Y399 VanDerWaalsContact OG1-O 3.11Å; I395-Y399 HydrophobicContact CG2-CD2 4.21Å; I395-Y399 PolarHBondContact O-N 3.38Å; V396-Y399 PolarHBondContact O-N 3.48Å |
| 400 | H | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -119.7 | 10.3 | -167.1 | -60.5 | -68.5 | 0 | 0 | 0 | 115.3 | R16 T19 L367 V396 G402 S403 V404 I468 | R16-H400 PolarHBondContact NH1-NE2 2.9Å; T19-H400 WeakPolarHBondContact OG1-CA 3.29Å; T19-H400 PolarHBondContact OG1-ND1 3.13Å; L367-H400 HydrophobicContact CD2-CB 3.5Å; V396-H400 CarbonylContact O-C 3.41Å; V396-H400 PolarHBondContact O-N 3.29Å; H400-G402 VanDerWaalsContact C-N 3.27Å; H400-G402 PolarHBondContact O-N 3.43Å; H400-S403 PolarHBondContact O-N 3.16Å; H400-S403 VanDerWaalsContact O-N 3.15Å; H400-V404 WeakPolarHBondContact O-CG2 3.47Å; H400-V404 PolarHBondContact O-N 3.4Å; H400-I468 WeakPolarHBondContact ND1-CG2 3.41Å |
| 401 | V | 97.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -54.3 | -42.2 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | V396 L397 S403 V404 I405 | V396-V401 WeakPolarHBondContact O-CG2 3.41Å; V396-V401 PolarHBondContact O-N 2.9Å; V396-V401 VanDerWaalsContact O-N 3.08Å; L397-V401 HydrophobicContact CD2-CG2 4.49Å; L397-V401 WeakPolarHBondContact O-CG2 3.4Å; V401-S403 PolarHBondContact O-N 2.87Å; V401-V404 WeakPolarHBondContact O-CB 3.31Å; V401-V404 PolarHBondContact O-N 3.23Å; V401-I405 HydrophobicContact CG1-CD1 3.59Å; V401-I405 HydrophobicContact CG1-CG1 4.21Å; V401-I405 VanDerWaalsContact O-CG1 3.27Å; V401-I405 WeakPolarHBondContact O-CG1 3.31Å; V401-I405 PolarHBondContact O-N 2.89Å |
| 402 | G | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | T19 C24 H400 V404 I405 F406 | T19-G402 VanDerWaalsContact O-CA 3.32Å; T19-G402 WeakPolarHBondContact O-CA 3.46Å; C24-G402 WeakPolarHBondContact SG-CA 3.24Å; C24-G402 PolarHBondContact SG-N 3.28Å; H400-G402 VanDerWaalsContact C-N 3.27Å; H400-G402 PolarHBondContact O-N 3.43Å; G402-V404 VanDerWaalsContact C-N 3.35Å; G402-I405 PolarHBondContact O-N 2.9Å; G402-F406 WeakPolarHBondContact O-CB 3.41Å; G402-F406 PolarHBondContact O-N 3.03Å |
| 403 | S | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.1 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | T19 N20 H400 V401 F406 A407 Y475 | T19-S403 VanDerWaalsContact CB-OG 3.26Å; T19-S403 WeakPolarHBondContact CB-OG 3.46Å; T19-S403 PolarHBondContact OG1-OG 3.16Å; N20-S403 PolarHBondContact OD1-OG 3.01Å; H400-S403 PolarHBondContact O-N 3.16Å; H400-S403 VanDerWaalsContact O-N 3.15Å; V401-S403 PolarHBondContact O-N 2.87Å; S403-F406 PolarHBondContact O-N 3.08Å; S403-A407 VanDerWaalsContact O-CB 3.3Å; S403-A407 WeakPolarHBondContact O-CB 3.36Å; S403-A407 PolarHBondContact O-N 3.37Å; S403-Y475 PolarHBondContact OG-N 3.01Å |
| 404 | V | 97.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 174.9 | 166 | 0 | 0 | 0 | 0 | 111.2 | C360 A363 F364 L367 V396 H400 V401 G402 F406 A407 G408 | C360-V404 VanDerWaalsContact O-CG1 3.27Å; C360-V404 WeakPolarHBondContact O-CG1 3.33Å; A363-V404 HydrophobicContact CB-CG1 4.07Å; F364-V404 HydrophobicContact CB-CG1 3.81Å; L367-V404 HydrophobicContact CB-CG2 4.46Å; L367-V404 HydrophobicContact CD2-CG2 3.94Å; V396-V404 HydrophobicContact CG1-CG2 3.8Å; H400-V404 WeakPolarHBondContact O-CG2 3.47Å; H400-V404 PolarHBondContact O-N 3.4Å; V401-V404 WeakPolarHBondContact O-CB 3.31Å; V401-V404 PolarHBondContact O-N 3.23Å; G402-V404 VanDerWaalsContact C-N 3.35Å; V404-F406 PolarHBondContact O-N 2.91Å; V404-A407 PolarHBondContact O-N 3.12Å; V404-G408 PolarHBondContact O-N 3.07Å |
| 405 | I | 98 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 179.6 | -71 | 167.8 | 0 | 0 | 0 | 110.9 | W23 Y27 W356 V401 G402 G408 A409 | W23-I405 HydrophobicContact CB-CB 4.43Å; W23-I405 HydrophobicContact CB-CG2 3.96Å; Y27-I405 HydrophobicContact CD1-CD1 3.67Å; Y27-I405 HydrophobicContact CD1-CG1 4.08Å; Y27-I405 HydrophobicContact CD2-CG2 4.19Å; Y27-I405 HydrophobicContact CE1-CD1 4.43Å; Y27-I405 HydrophobicContact CG-CD1 3.91Å; Y27-I405 HydrophobicContact CG-CG1 4.18Å; Y27-I405 HydrophobicContact CG-CG2 4.02Å; W356-I405 HydrophobicContact CH2-CG2 4.48Å; W356-I405 HydrophobicContact CZ2-CG2 3.5Å; W356-I405 PolarHBondContact NE1-O 3.26Å; W356-I405 VanDerWaalsContact NE1-O 3.16Å; V401-I405 HydrophobicContact CG1-CD1 3.59Å; V401-I405 HydrophobicContact CG1-CG1 4.21Å; V401-I405 VanDerWaalsContact O-CG1 3.27Å; V401-I405 WeakPolarHBondContact O-CG1 3.31Å; V401-I405 PolarHBondContact O-N 2.89Å; G402-I405 PolarHBondContact O-N 2.9Å; I405-G408 PolarHBondContact O-N 2.74Å; I405-A409 WeakPolarHBondContact O-CB 3.33Å; I405-A409 PolarHBondContact O-N 3.24Å |
| 406 | F | 98 | Very high | 95 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 13% | 0.127 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 179.3 | -177.8 | -130.8 | 0 | 0 | 0 | 111.9 | W23 G402 S403 V404 G408 A409 L410 Y475 | W23-F406 AromaticContact CD1-CD2 3.87Å; W23-F406 AromaticContact CD1-CG 3.97Å; W23-F406 HydrophobicContact CD2-CB 4.26Å; W23-F406 AromaticContact CD2-CD2 3.78Å; W23-F406 HydrophobicContact CD2-CD2 3.78Å; W23-F406 HydrophobicContact CD2-CG 4.41Å; W23-F406 AromaticContact CE2-CD2 3.14Å; W23-F406 AromaticContact CE2-CE2 3.62Å; W23-F406 HydrophobicContact CE3-CD2 4.48Å; W23-F406 HydrophobicContact CG-CB 3.97Å; W23-F406 HydrophobicContact CG-CD2 4.2Å; W23-F406 HydrophobicContact CG-CG 4.39Å; W23-F406 HydrophobicContact CH2-CD2 4.12Å; W23-F406 HydrophobicContact CH2-CE2 4.31Å; W23-F406 AromaticContact CZ2-CD2 3.36Å; W23-F406 HydrophobicContact CZ2-CD2 3.36Å; W23-F406 AromaticContact CZ2-CE2 3.43Å; W23-F406 HydrophobicContact CZ2-CE2 3.43Å; W23-F406 VanDerWaalsContact CZ2-CE2 3.43Å; W23-F406 AromaticContact NE1-CD2 3.19Å; W23-F406 AromaticContact NE1-CE2 3.64Å; W23-F406 AromaticContact NE1-CG 3.71Å; G402-F406 WeakPolarHBondContact O-CB 3.41Å; G402-F406 PolarHBondContact O-N 3.03Å; S403-F406 PolarHBondContact O-N 3.08Å; V404-F406 PolarHBondContact O-N 2.91Å; F406-G408 VanDerWaalsContact C-N 3.3Å; F406-G408 PolarHBondContact O-N 3.29Å; F406-A409 WeakPolarHBondContact O-CB 3.26Å; F406-A409 PolarHBondContact O-N 3.47Å; F406-A409 VanDerWaalsContact O-N 3.16Å; F406-L410 HydrophobicContact CD1-CD1 4.37Å; F406-L410 HydrophobicContact CD2-CG 4.35Å; F406-L410 HydrophobicContact CE1-CD1 3.99Å; F406-L410 HydrophobicContact CE2-CD1 4.18Å; F406-L410 HydrophobicContact CE2-CD2 4.01Å; F406-L410 HydrophobicContact CE2-CG 4.04Å; F406-L410 HydrophobicContact CZ-CD1 3.89Å; F406-L410 HydrophobicContact CZ-CD2 4.19Å; F406-L410 HydrophobicContact CZ-CG 4.23Å; F406-L410 WeakPolarHBondContact O-CG 3.36Å; F406-L410 PolarHBondContact O-N 3.04Å; F406-L410 VanDerWaalsContact O-N 3.1Å; F406-Y475 AromaticContact CD1-CD1 3.33Å; F406-Y475 HydrophobicContact CD1-CD1 3.33Å; F406-Y475 HydrophobicContact CD1-CD2 4.38Å; F406-Y475 AromaticContact CD1-CE1 3.91Å; F406-Y475 HydrophobicContact CD1-CE1 3.91Å; F406-Y475 AromaticContact CD1-CG 3.6Å; F406-Y475 HydrophobicContact CD1-CG 3.6Å; F406-Y475 AromaticContact CE1-CD1 3.33Å; F406-Y475 HydrophobicContact CE1-CD1 3.33Å; F406-Y475 AromaticContact CE1-CE1 3.71Å; F406-Y475 HydrophobicContact CE1-CE1 3.71Å; F406-Y475 HydrophobicContact CE1-CG 4.09Å |
| 407 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A363 S403 V404 V411 N461 M465 Y475 | A363-A407 HydrophobicContact CB-CB 4.19Å; S403-A407 VanDerWaalsContact O-CB 3.3Å; S403-A407 WeakPolarHBondContact O-CB 3.36Å; S403-A407 PolarHBondContact O-N 3.37Å; V404-A407 PolarHBondContact O-N 3.12Å; A407-V411 PolarHBondContact O-N 3.45Å; A407-N461 PolarHBondContact O-ND2 3.04Å; A407-M465 HydrophobicContact CB-CE 3.24Å; A407-Y475 HydrophobicContact CB-CD2 3.86Å; A407-Y475 HydrophobicContact CB-CE2 3.45Å; A407-Y475 VanDerWaalsContact CB-CE2 3.45Å |
| 408 | G | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E359 V404 I405 F406 L410 V411 A412 | E359-G408 WeakPolarHBondContact CB-O 3.37Å; V404-G408 PolarHBondContact O-N 3.07Å; I405-G408 PolarHBondContact O-N 2.74Å; F406-G408 VanDerWaalsContact C-N 3.3Å; F406-G408 PolarHBondContact O-N 3.29Å; G408-L410 PolarHBondContact O-N 3.06Å; G408-V411 PolarHBondContact O-N 3.44Å; G408-A412 WeakPolarHBondContact O-CB 3.38Å; G408-A412 PolarHBondContact O-N 3.32Å |
| 409 | A | 97.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W23 W356 I405 F406 V411 A412 L413 | W23-A409 HydrophobicContact CE3-CB 4.3Å; W23-A409 HydrophobicContact CH2-CB 4.32Å; W23-A409 HydrophobicContact CZ3-CB 3.83Å; W356-A409 HydrophobicContact CZ2-CB 4.04Å; I405-A409 WeakPolarHBondContact O-CB 3.33Å; I405-A409 PolarHBondContact O-N 3.24Å; F406-A409 WeakPolarHBondContact O-CB 3.26Å; F406-A409 PolarHBondContact O-N 3.47Å; F406-A409 VanDerWaalsContact O-N 3.16Å; A409-V411 PolarHBondContact O-N 2.89Å; A409-A412 PolarHBondContact O-N 3.46Å; A409-L413 VanDerWaalsContact O-CB 3.3Å; A409-L413 WeakPolarHBondContact O-CB 3.21Å; A409-L413 PolarHBondContact O-N 3.46Å |
| 410 | L | 95.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.9 | -45.8 | -179.5 | -66.5 | 171.1 | 0 | 0 | 0 | 111.8 | F406 G408 L414 L457 Y475 | F406-L410 HydrophobicContact CD1-CD1 4.37Å; F406-L410 HydrophobicContact CD2-CG 4.35Å; F406-L410 HydrophobicContact CE1-CD1 3.99Å; F406-L410 HydrophobicContact CE2-CD1 4.18Å; F406-L410 HydrophobicContact CE2-CD2 4.01Å; F406-L410 HydrophobicContact CE2-CG 4.04Å; F406-L410 HydrophobicContact CZ-CD1 3.89Å; F406-L410 HydrophobicContact CZ-CD2 4.19Å; F406-L410 HydrophobicContact CZ-CG 4.23Å; F406-L410 WeakPolarHBondContact O-CG 3.36Å; F406-L410 PolarHBondContact O-N 3.04Å; F406-L410 VanDerWaalsContact O-N 3.1Å; G408-L410 PolarHBondContact O-N 3.06Å; L410-L414 PolarHBondContact O-N 3.29Å; L410-L457 VanDerWaalsContact C-CD2 3.49Å; L410-L457 HydrophobicContact CB-CD2 3.75Å; L410-Y475 HydrophobicContact CD1-CE1 3.7Å; L410-Y475 WeakPolarHBondContact CD1-OH 3.11Å |
| 411 | V | 90.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.9 | -40.1 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | E359 A407 G408 A409 L414 R415 T454 L457 R458 N461 | E359-V411 HydrophobicContact CB-CB 4.5Å; E359-V411 HydrophobicContact CG-CB 4.24Å; E359-V411 HydrophobicContact CG-CG1 4.02Å; E359-V411 WeakPolarHBondContact OE2-CG1 3.29Å; A407-V411 PolarHBondContact O-N 3.45Å; G408-V411 PolarHBondContact O-N 3.44Å; A409-V411 PolarHBondContact O-N 2.89Å; V411-L414 PolarHBondContact O-N 2.95Å; V411-R415 WeakPolarHBondContact O-CB 3.5Å; V411-R415 PolarHBondContact O-N 3.32Å; V411-T454 HydrophobicContact CG1-CG2 4.29Å; V411-L457 HydrophobicContact CB-CD2 4.39Å; V411-L457 HydrophobicContact CG2-CD2 3.74Å; V411-L457 HydrophobicContact CG2-CG 3.85Å; V411-R458 HydrophobicContact CG1-CG 4.04Å; V411-R458 VanDerWaalsContact CG1-CZ 3.49Å; V411-R458 VanDerWaalsContact CG1-NH2 3.34Å; V411-R458 HydrophobicContact CG2-CG 4.32Å; V411-N461 WeakPolarHBondContact CG2-ND2 3.38Å |
| 412 | A | 91.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V355 W356 E359 G408 A409 L414 R415 L416 | V355-A412 HydrophobicContact CG1-CB 4Å; W356-A412 HydrophobicContact CB-CB 4.11Å; E359-A412 HydrophobicContact CB-CB 4.44Å; E359-A412 HydrophobicContact CG-CB 4.03Å; G408-A412 WeakPolarHBondContact O-CB 3.38Å; G408-A412 PolarHBondContact O-N 3.32Å; A409-A412 PolarHBondContact O-N 3.46Å; A412-L414 PolarHBondContact O-N 3.27Å; A412-R415 PolarHBondContact O-N 3.14Å; A412-L416 WeakPolarHBondContact O-CB 3.46Å; A412-L416 WeakPolarHBondContact O-CD1 3.46Å; A412-L416 VanDerWaalsContact O-CG 3.23Å; A412-L416 WeakPolarHBondContact O-CG 3.44Å; A412-L416 PolarHBondContact O-N 3.32Å |
| 413 | L | 94.1 | Very high | 89.9 | Confident | 116 Ų | 116 | 47.5 Ų | 47.5 | 61% | 0.607 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.8 | -50.3 | 178.3 | -178.3 | 65.4 | 0 | 0 | 0 | 111.8 | A409 R415 L416 F417 | A409-L413 VanDerWaalsContact O-CB 3.3Å; A409-L413 WeakPolarHBondContact O-CB 3.21Å; A409-L413 PolarHBondContact O-N 3.46Å; L413-R415 VanDerWaalsContact C-N 3.33Å; L413-R415 PolarHBondContact O-N 2.8Å; L413-L416 PolarHBondContact O-N 3.05Å; L413-F417 WeakPolarHBondContact O-CB 3.41Å; L413-F417 PolarHBondContact O-N 3.34Å |
| 414 | L | 90.1 | Very high | 89 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 178.2 | -66.8 | -175.8 | 0 | 0 | 0 | 112.3 | L410 V411 A412 F417 R418 I450 A453 L457 | L410-L414 PolarHBondContact O-N 3.29Å; V411-L414 PolarHBondContact O-N 2.95Å; A412-L414 PolarHBondContact O-N 3.27Å; L414-F417 PolarHBondContact O-N 3.04Å; L414-R418 WeakPolarHBondContact O-CB 3.31Å; L414-R418 PolarHBondContact O-N 2.93Å; L414-I450 HydrophobicContact CB-CG2 4.32Å; L414-I450 VanDerWaalsContact O-CG2 3.28Å; L414-I450 WeakPolarHBondContact O-CG2 3.43Å; L414-A453 HydrophobicContact CD1-CB 4.28Å; L414-L457 HydrophobicContact CD1-CB 4.32Å; L414-L457 HydrophobicContact CD1-CD2 3.64Å; L414-L457 HydrophobicContact CG-CD2 4.37Å |
| 415 | R | 84.4 | Confident | 88 | Confident | 113 Ų | 113 | 53 Ų | 53 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 177.6 | -177.2 | 172.7 | -113.8 | -170.9 | -9.9 | 112.2 | V355 E359 V411 A412 L413 T419 R458 | V355-R415 HydrophobicContact CG1-CB 4.49Å; V355-R415 HydrophobicContact CG1-CG 4.34Å; E359-R415 IonicContact OE1-CZ 3.64Å; E359-R415 IonicContact OE1-NE 3.23Å; E359-R415 IonicContact OE1-NH1 3.92Å; E359-R415 PolarHBondContact OE1-NH1 3.44Å; V411-R415 WeakPolarHBondContact O-CB 3.5Å; V411-R415 PolarHBondContact O-N 3.32Å; A412-R415 PolarHBondContact O-N 3.14Å; L413-R415 VanDerWaalsContact C-N 3.33Å; L413-R415 PolarHBondContact O-N 2.8Å; R415-T419 WeakPolarHBondContact O-CB 3.4Å; R415-T419 PolarHBondContact O-N 3.35Å; R415-T419 PolarHBondContact O-OG1 3.41Å; R415-R458 VanDerWaalsContact CZ-NH2 3.3Å |
| 416 | L | 87.5 | Confident | 86.9 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 175.7 | -69.9 | 164.9 | 0 | 0 | 0 | 111.2 | I351 C352 V355 A412 L413 R418 T419 A420 | I351-L416 HydrophobicContact CG2-CD2 3.9Å; C352-L416 HydrophobicContact CB-CD1 4.13Å; V355-L416 HydrophobicContact CB-CD2 4.18Å; V355-L416 HydrophobicContact CB-CG 4.41Å; V355-L416 HydrophobicContact CG1-CD2 4.46Å; V355-L416 HydrophobicContact CG1-CG 4.27Å; V355-L416 HydrophobicContact CG2-CD2 4.03Å; A412-L416 WeakPolarHBondContact O-CB 3.46Å; A412-L416 WeakPolarHBondContact O-CD1 3.46Å; A412-L416 VanDerWaalsContact O-CG 3.23Å; A412-L416 WeakPolarHBondContact O-CG 3.44Å; A412-L416 PolarHBondContact O-N 3.32Å; L413-L416 PolarHBondContact O-N 3.05Å; L416-R418 PolarHBondContact O-N 3.4Å; L416-T419 PolarHBondContact O-N 3.43Å; L416-T419 VanDerWaalsContact O-N 3.16Å; L416-A420 PolarHBondContact O-N 2.98Å |
| 417 | F | 88.7 | Confident | 85.8 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.3 | -171.6 | -121.8 | 0 | 0 | 0 | 111.8 | L413 L414 T419 A420 L421 I450 | L413-F417 WeakPolarHBondContact O-CB 3.41Å; L413-F417 PolarHBondContact O-N 3.34Å; L414-F417 PolarHBondContact O-N 3.04Å; F417-T419 VanDerWaalsContact C-N 3.32Å; F417-T419 PolarHBondContact O-N 3.45Å; F417-A420 PolarHBondContact O-N 3.3Å; F417-L421 HydrophobicContact CD1-CD1 4.37Å; F417-L421 HydrophobicContact CE1-CD1 3.92Å; F417-L421 HydrophobicContact CE1-CG 4.47Å; F417-L421 HydrophobicContact CE2-CD2 4.28Å; F417-L421 HydrophobicContact CE2-CG 4.45Å; F417-L421 HydrophobicContact CZ-CD1 4.08Å; F417-L421 HydrophobicContact CZ-CD2 4.21Å; F417-L421 HydrophobicContact CZ-CG 4.31Å; F417-L421 WeakPolarHBondContact O-CG 3.09Å; F417-L421 PolarHBondContact O-N 3.34Å; F417-I450 HydrophobicContact CD1-CD1 3.32Å; F417-I450 HydrophobicContact CD1-CG1 4Å; F417-I450 HydrophobicContact CE1-CD1 3.43Å; F417-I450 VanDerWaalsContact CE1-CD1 3.43Å; F417-I450 HydrophobicContact CE1-CG1 4.23Å; F417-I450 HydrophobicContact CG-CD1 4.42Å |
| 418 | R | 82.4 | Confident | 84.7 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 38% | 0.381 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.4 | -49.2 | 171.5 | 178.7 | -175.7 | 170.8 | 175.9 | 4.2 | 111.6 | L414 L416 A420 L421 T422 I450 T451 | L414-R418 WeakPolarHBondContact O-CB 3.31Å; L414-R418 PolarHBondContact O-N 2.93Å; L416-R418 PolarHBondContact O-N 3.4Å; R418-A420 VanDerWaalsContact C-N 3.31Å; R418-A420 PolarHBondContact O-N 2.94Å; R418-L421 PolarHBondContact O-N 3.34Å; R418-T422 PolarHBondContact O-N 2.97Å; R418-T422 PolarHBondContact O-OG1 3.21Å; R418-I450 HydrophobicContact CB-CB 4.4Å; R418-I450 HydrophobicContact CB-CG2 3.77Å; R418-T451 WeakPolarHBondContact CD-OG1 3.33Å; R418-T451 PolarHBondContact NE-OG1 2.89Å; R418-T451 VanDerWaalsContact NH1-CG2 3.34Å; R418-T451 PolarHBondContact NH1-OG1 2.99Å; R418-T451 PolarHBondContact NH2-OG1 3.27Å |
| 419 | T | 79.4 | Confident | 83.4 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | -176.7 | -55.3 | 0 | 0 | 0 | 0 | 111 | R415 L416 F417 Y423 | R415-T419 WeakPolarHBondContact O-CB 3.4Å; R415-T419 PolarHBondContact O-N 3.35Å; R415-T419 PolarHBondContact O-OG1 3.41Å; L416-T419 PolarHBondContact O-N 3.43Å; L416-T419 VanDerWaalsContact O-N 3.16Å; F417-T419 VanDerWaalsContact C-N 3.32Å; F417-T419 PolarHBondContact O-N 3.45Å; T419-Y423 WeakPolarHBondContact O-CB 3.26Å; T419-Y423 PolarHBondContact O-N 2.71Å |
| 420 | A | 83.5 | Confident | 82.1 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L416 F417 R418 Y423 I424 | L416-A420 PolarHBondContact O-N 2.98Å; F417-A420 PolarHBondContact O-N 3.3Å; R418-A420 VanDerWaalsContact C-N 3.31Å; R418-A420 PolarHBondContact O-N 2.94Å; A420-Y423 PolarHBondContact O-N 3.16Å; A420-I424 VanDerWaalsContact O-CG1 3.27Å; A420-I424 WeakPolarHBondContact O-CG1 3.48Å; A420-I424 PolarHBondContact O-N 3.25Å |
| 421 | L | 82.3 | Confident | 80.9 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.6 | -66.8 | -173.5 | 0 | 0 | 0 | 112 | F417 R418 Y423 I424 E425 L443 C446 I450 | F417-L421 HydrophobicContact CD1-CD1 4.37Å; F417-L421 HydrophobicContact CE1-CD1 3.92Å; F417-L421 HydrophobicContact CE1-CG 4.47Å; F417-L421 HydrophobicContact CE2-CD2 4.28Å; F417-L421 HydrophobicContact CE2-CG 4.45Å; F417-L421 HydrophobicContact CZ-CD1 4.08Å; F417-L421 HydrophobicContact CZ-CD2 4.21Å; F417-L421 HydrophobicContact CZ-CG 4.31Å; F417-L421 WeakPolarHBondContact O-CG 3.09Å; F417-L421 PolarHBondContact O-N 3.34Å; R418-L421 PolarHBondContact O-N 3.34Å; L421-Y423 VanDerWaalsContact C-N 3.28Å; L421-Y423 PolarHBondContact O-N 3.31Å; L421-I424 PolarHBondContact O-N 3.13Å; L421-E425 WeakPolarHBondContact O-CB 3.44Å; L421-E425 PolarHBondContact O-N 2.93Å; L421-L443 HydrophobicContact CB-CD1 3.71Å; L421-L443 HydrophobicContact CB-CG 4.47Å; L421-L443 HydrophobicContact CD1-CD1 4.18Å; L421-L443 HydrophobicContact CD2-CD1 3.62Å; L421-L443 HydrophobicContact CG-CD1 4.02Å; L421-L443 WeakPolarHBondContact O-CD2 3.4Å; L421-C446 HydrophobicContact CD1-CB 4.12Å; L421-I450 HydrophobicContact CD1-CD1 3.25Å; L421-I450 HydrophobicContact CG-CD1 4.38Å |
| 422 | T | 77.4 | Confident | 80.1 | Confident | 63 Ų | 63 | 84.3 Ų | 84.3 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | R418 E425 S426 | R418-T422 PolarHBondContact O-N 2.97Å; R418-T422 PolarHBondContact O-OG1 3.21Å; T422-E425 WeakPolarHBondContact O-CB 3.1Å; T422-E425 PolarHBondContact O-N 3.3Å; T422-S426 PolarHBondContact O-N 3.23Å |
| 423 | Y | 75.8 | Confident | 79 | Confident | 137 Ų | 137 | 88.4 Ų | 88.4 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 174.3 | 177.7 | -98.3 | 0 | 0 | 0 | 112.1 | T419 A420 L421 E425 S426 K427 | T419-Y423 WeakPolarHBondContact O-CB 3.26Å; T419-Y423 PolarHBondContact O-N 2.71Å; A420-Y423 PolarHBondContact O-N 3.16Å; L421-Y423 VanDerWaalsContact C-N 3.28Å; L421-Y423 PolarHBondContact O-N 3.31Å; Y423-E425 VanDerWaalsContact C-N 3.27Å; Y423-E425 PolarHBondContact O-N 3.36Å; Y423-S426 PolarHBondContact O-N 3.36Å; Y423-S426 PolarHBondContact O-OG 3.38Å; Y423-K427 HydrophobicContact CE1-CD 4.13Å; Y423-K427 PolarHBondContact O-N 3.15Å |
| 424 | I | 80.4 | Confident | 77.3 | Confident | 91 Ų | 91 | 89 Ų | 89 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 176.9 | -67.5 | 164.5 | 0 | 0 | 0 | 110.4 | A420 L421 K427 S428 L443 | A420-I424 VanDerWaalsContact O-CG1 3.27Å; A420-I424 WeakPolarHBondContact O-CG1 3.48Å; A420-I424 PolarHBondContact O-N 3.25Å; L421-I424 PolarHBondContact O-N 3.13Å; I424-K427 PolarHBondContact O-N 2.77Å; I424-S428 VanDerWaalsContact O-CB 3.31Å; I424-S428 WeakPolarHBondContact O-CB 3.41Å; I424-S428 PolarHBondContact O-N 2.88Å; I424-S428 PolarHBondContact O-OG 2.94Å; I424-L443 HydrophobicContact CB-CD2 4.17Å; I424-L443 HydrophobicContact CG2-CD2 3.89Å |
| 425 | E | 77.2 | Confident | 76.1 | Confident | 30 Ų | 30 | 97.6 Ų | 97.6 | 14% | 0.14 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -56.7 | -54.9 | 175.3 | -166.6 | -166.7 | 159.5 | 0 | 0 | 110.4 | L421 T422 Y423 K427 S428 V429 K440 L443 | L421-E425 WeakPolarHBondContact O-CB 3.44Å; L421-E425 PolarHBondContact O-N 2.93Å; T422-E425 WeakPolarHBondContact O-CB 3.1Å; T422-E425 PolarHBondContact O-N 3.3Å; Y423-E425 VanDerWaalsContact C-N 3.27Å; Y423-E425 PolarHBondContact O-N 3.36Å; E425-K427 PolarHBondContact O-N 3.07Å; E425-S428 PolarHBondContact O-N 2.96Å; E425-S428 PolarHBondContact O-OG 3.13Å; E425-V429 WeakPolarHBondContact O-CG2 3.46Å; E425-V429 PolarHBondContact O-N 3.48Å; E425-V429 VanDerWaalsContact O-N 3.08Å; E425-K440 HydrophobicContact CG-CG 4.04Å; E425-K440 VanDerWaalsContact OE1-CG 3.27Å; E425-K440 WeakPolarHBondContact OE1-CG 3.32Å; E425-L443 VanDerWaalsContact CA-CD2 3.46Å; E425-L443 HydrophobicContact CB-CB 4.49Å; E425-L443 HydrophobicContact CB-CD2 3.56Å; E425-L443 HydrophobicContact CB-CG 3.92Å; E425-L443 HydrophobicContact CG-CB 4.37Å; E425-L443 HydrophobicContact CG-CD2 4.2Å; E425-L443 HydrophobicContact CG-CG 4.33Å; E425-L443 VanDerWaalsContact N-CD2 3.34Å |
| 426 | S | 75.5 | Confident | 74.9 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.6 | -35.9 | -178.6 | 78.2 | 0 | 0 | 0 | 0 | 112.8 | T422 Y423 R430 | T422-S426 PolarHBondContact O-N 3.23Å; Y423-S426 PolarHBondContact O-N 3.36Å; Y423-S426 PolarHBondContact O-OG 3.38Å; S426-R430 WeakPolarHBondContact O-CG 3.25Å; S426-R430 PolarHBondContact O-N 2.92Å |
| 427 | K | 74.3 | Confident | 73.9 | Confident | 99 Ų | 99 | 99 Ų | 99 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -80.1 | -37.8 | -178.9 | -164.8 | 170.7 | -172.2 | 171.3 | 0 | 112.6 | Y423 I424 E425 V429 R430 R431 | Y423-K427 HydrophobicContact CE1-CD 4.13Å; Y423-K427 PolarHBondContact O-N 3.15Å; I424-K427 PolarHBondContact O-N 2.77Å; E425-K427 PolarHBondContact O-N 3.07Å; K427-V429 VanDerWaalsContact C-N 3.33Å; K427-R430 PolarHBondContact O-N 3.29Å; K427-R431 PolarHBondContact O-N 3.05Å; K427-R431 VanDerWaalsContact O-N 3.12Å |
| 428 | S | 74 | Confident | 73.1 | Confident | 26 Ų | 26 | 95.8 Ų | 95.8 | 18% | 0.182 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.6 | 71.2 | 0 | 0 | 0 | 0 | 111.5 | I424 E425 R430 R431 F432 | I424-S428 VanDerWaalsContact O-CB 3.31Å; I424-S428 WeakPolarHBondContact O-CB 3.41Å; I424-S428 PolarHBondContact O-N 2.88Å; I424-S428 PolarHBondContact O-OG 2.94Å; E425-S428 PolarHBondContact O-N 2.96Å; E425-S428 PolarHBondContact O-OG 3.13Å; S428-R430 VanDerWaalsContact C-N 3.33Å; S428-R430 PolarHBondContact O-N 3.46Å; S428-R431 PolarHBondContact O-N 3.27Å; S428-F432 PolarHBondContact O-N 2.79Å |
| 429 | V | 69.8 | Low | 72.6 | Confident | 48 Ų | 48 | 94.3 Ų | 94.3 | 29% | 0.291 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E425 K427 K440 | E425-V429 WeakPolarHBondContact O-CG2 3.46Å; E425-V429 PolarHBondContact O-N 3.48Å; E425-V429 VanDerWaalsContact O-N 3.08Å; K427-V429 VanDerWaalsContact C-N 3.33Å; V429-K440 HydrophobicContact CG2-CB 4.1Å; V429-K440 HydrophobicContact CG2-CD 3.69Å; V429-K440 HydrophobicContact CG2-CG 3.77Å |
| 430 | R | 68.3 | Low | 72.3 | Confident | 225 Ų | 225 | 95 Ų | 95 | 85% | 0.849 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.6 | -32 | 177.1 | -72.8 | -178.8 | -175.3 | -162.4 | 2.2 | 113.4 | S426 K427 S428 | S426-R430 WeakPolarHBondContact O-CG 3.25Å; S426-R430 PolarHBondContact O-N 2.92Å; K427-R430 PolarHBondContact O-N 3.29Å; S428-R430 VanDerWaalsContact C-N 3.33Å; S428-R430 PolarHBondContact O-N 3.46Å |
| 431 | R | 72.5 | Confident | 72 | Confident | 181 Ų | 181 | 98.5 Ų | 98.5 | 68% | 0.683 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -91.3 | -30.6 | -173.2 | -162.5 | 175.5 | -114.6 | 171.8 | -6.9 | 113.5 | K427 S428 | K427-R431 PolarHBondContact O-N 3.05Å; K427-R431 VanDerWaalsContact O-N 3.12Å; S428-R431 PolarHBondContact O-N 3.27Å |
| 432 | F | 73.4 | Confident | 72 | Confident | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | trans | -138.5 | 66.8 | -175.4 | -61 | -73.6 | 0 | 0 | 0 | 112.9 | S428 C434 R435 A436 | S428-F432 PolarHBondContact O-N 2.79Å; F432-C434 VanDerWaalsContact C-N 3.31Å; F432-C434 PolarHBondContact O-N 3.32Å; F432-R435 PolarHBondContact O-N 2.9Å; F432-A436 WeakPolarHBondContact O-CB 3.46Å; F432-A436 PolarHBondContact O-N 3.44Å | ||
| 433 | P | 67.1 | Low | 72.2 | Confident | 89 Ų | 89 | 103 Ų | 103 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -39.4 | -172.7 | 21 | -32.2 | 0 | 0 | 0 | 113.8 | ||
| 434 | C | 59.1 | Low | 72.3 | Confident | 129 Ų | 129 | 97.9 Ų | 97.9 | 87% | 0.872 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -35.7 | -176.1 | -57.9 | 0 | 0 | 0 | 0 | 113.9 | F432 | F432-C434 VanDerWaalsContact C-N 3.31Å; F432-C434 PolarHBondContact O-N 3.32Å |
| 435 | R | 64.1 | Low | 72.4 | Confident | 227 Ų | 227 | 99.5 Ų | 99.5 | 86% | 0.857 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -12.2 | 179.5 | -160.9 | 170.5 | -176.2 | 169.4 | 0.9 | 112.8 | F432 | F432-R435 PolarHBondContact O-N 2.9Š|
| 436 | A | 60.7 | Low | 72.7 | Confident | 8 Ų | 8 | 101.2 Ų | 101.2 | 7% | 0.066 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -83.2 | -13.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F432 G438 C439 K440 | F432-A436 WeakPolarHBondContact O-CB 3.46Å; F432-A436 PolarHBondContact O-N 3.44Å; A436-G438 PolarHBondContact O-N 2.94Å; A436-C439 PolarHBondContact O-N 3.44Å; A436-K440 WeakPolarHBondContact O-CB 3.32Å; A436-K440 PolarHBondContact O-N 3.09Å |
| 437 | K | 66.8 | Low | 73 | Confident | 175 Ų | 175 | 98.9 Ų | 98.9 | 76% | 0.761 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -55.6 | -49.5 | -176.2 | -73.8 | -171.8 | 179.9 | -179.7 | 0 | 112.6 | Q441 | K437-Q441 PolarHBondContact O-N 2.7Å; K437-Q441 VanDerWaalsContact O-N 3.16Å |
| 438 | G | 71.2 | Confident | 73.4 | Confident | 44 Ų | 44 | 98.4 Ų | 98.4 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A436 K442 | A436-G438 PolarHBondContact O-N 2.94Å; G438-K442 WeakPolarHBondContact O-CG 3.25Å; G438-K442 PolarHBondContact O-N 2.93Å |
| 439 | C | 71.4 | Confident | 74 | Confident | 70 Ų | 70 | 101.3 Ų | 101.3 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 178.1 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | A436 Q441 K442 L443 | A436-C439 PolarHBondContact O-N 3.44Å; C439-Q441 PolarHBondContact O-N 2.89Å; C439-K442 PolarHBondContact O-N 3.06Å; C439-L443 WeakPolarHBondContact O-CB 3.17Å; C439-L443 PolarHBondContact O-N 3.47Å |
| 440 | K | 73.7 | Confident | 74.8 | Confident | 99 Ų | 99 | 99.9 Ų | 99.9 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.4 | -50.3 | 175.6 | -174.8 | -170.5 | -177.8 | -174.7 | 0 | 110.6 | E425 V429 A436 K442 L443 A444 | E425-K440 HydrophobicContact CG-CG 4.04Å; E425-K440 VanDerWaalsContact OE1-CG 3.27Å; E425-K440 WeakPolarHBondContact OE1-CG 3.32Å; V429-K440 HydrophobicContact CG2-CB 4.1Å; V429-K440 HydrophobicContact CG2-CD 3.69Å; V429-K440 HydrophobicContact CG2-CG 3.77Å; A436-K440 WeakPolarHBondContact O-CB 3.32Å; A436-K440 PolarHBondContact O-N 3.09Å; K440-K442 PolarHBondContact O-N 3.18Å; K440-L443 PolarHBondContact O-N 2.87Å; K440-A444 WeakPolarHBondContact O-CB 3.36Å; K440-A444 PolarHBondContact O-N 3.47Å |
| 441 | Q | 78.1 | Confident | 75.4 | Confident | 118 Ų | 118 | 90.9 Ų | 90.9 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | -179 | -165.5 | -179 | 12.1 | 0 | 0 | 112.3 | K437 C439 K445 | K437-Q441 PolarHBondContact O-N 2.7Å; K437-Q441 VanDerWaalsContact O-N 3.16Å; C439-Q441 PolarHBondContact O-N 2.89Å; Q441-K445 HydrophobicContact CG-CD 4.5Å; Q441-K445 WeakPolarHBondContact O-CB 3.25Å; Q441-K445 WeakPolarHBondContact O-CG 3.28Å; Q441-K445 PolarHBondContact O-N 3.16Å |
| 442 | K | 81.8 | Confident | 76.2 | Confident | 157 Ų | 157 | 86.2 Ų | 86.2 | 68% | 0.683 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.2 | -46.8 | 175.6 | -72.8 | -177.3 | -178.5 | -173.7 | 0 | 111.7 | G438 C439 K440 K445 C446 | G438-K442 WeakPolarHBondContact O-CG 3.25Å; G438-K442 PolarHBondContact O-N 2.93Å; C439-K442 PolarHBondContact O-N 3.06Å; K440-K442 PolarHBondContact O-N 3.18Å; K442-K445 PolarHBondContact O-N 3.4Å; K442-C446 PolarHBondContact O-N 3.04Å; K442-C446 PolarHBondContact O-SG 3.36Å; K442-C446 VanDerWaalsContact O-SG 3.36Å |
| 443 | L | 80.3 | Confident | 76.8 | Confident | 25 Ų | 25 | 82 Ų | 82 | 13% | 0.131 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.7 | -39.7 | -177.7 | -170.7 | 53.8 | 0 | 0 | 0 | 112.5 | L421 I424 E425 C439 K440 C446 A447 | L421-L443 HydrophobicContact CB-CD1 3.71Å; L421-L443 HydrophobicContact CB-CG 4.47Å; L421-L443 HydrophobicContact CD1-CD1 4.18Å; L421-L443 HydrophobicContact CD2-CD1 3.62Å; L421-L443 HydrophobicContact CG-CD1 4.02Å; L421-L443 WeakPolarHBondContact O-CD2 3.4Å; I424-L443 HydrophobicContact CB-CD2 4.17Å; I424-L443 HydrophobicContact CG2-CD2 3.89Å; E425-L443 VanDerWaalsContact CA-CD2 3.46Å; E425-L443 HydrophobicContact CB-CB 4.49Å; E425-L443 HydrophobicContact CB-CD2 3.56Å; E425-L443 HydrophobicContact CB-CG 3.92Å; E425-L443 HydrophobicContact CG-CB 4.37Å; E425-L443 HydrophobicContact CG-CD2 4.2Å; E425-L443 HydrophobicContact CG-CG 4.33Å; E425-L443 VanDerWaalsContact N-CD2 3.34Å; C439-L443 WeakPolarHBondContact O-CB 3.17Å; C439-L443 PolarHBondContact O-N 3.47Å; K440-L443 PolarHBondContact O-N 2.87Å; L443-C446 PolarHBondContact O-N 3.42Å; L443-A447 PolarHBondContact O-N 3.47Å |
| 444 | A | 78.4 | Confident | 77.7 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K440 C446 A447 T448 | K440-A444 WeakPolarHBondContact O-CB 3.36Å; K440-A444 PolarHBondContact O-N 3.47Å; A444-C446 PolarHBondContact O-N 2.97Å; A444-A447 PolarHBondContact O-N 3.45Å; A444-T448 PolarHBondContact O-N 2.86Å; A444-T448 PolarHBondContact O-OG1 3.47Å; A444-T448 VanDerWaalsContact O-OG1 3.07Å |
| 445 | K | 82.9 | Confident | 78.8 | Confident | 126 Ų | 126 | 75 Ų | 75 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 174.5 | -76.7 | 173.8 | 178.6 | -176.1 | 0 | 111.6 | Q441 K442 A447 T448 C449 | Q441-K445 HydrophobicContact CG-CD 4.5Å; Q441-K445 WeakPolarHBondContact O-CB 3.25Å; Q441-K445 WeakPolarHBondContact O-CG 3.28Å; Q441-K445 PolarHBondContact O-N 3.16Å; K442-K445 PolarHBondContact O-N 3.4Å; K445-A447 PolarHBondContact O-N 3.16Å; K445-T448 WeakPolarHBondContact O-CB 3.12Å; K445-T448 PolarHBondContact O-N 3.49Å; K445-C449 PolarHBondContact O-N 3.49Å; K445-C449 PolarHBondContact O-SG 2.98Å |
| 446 | C | 84.3 | Confident | 80 | Confident | 65 Ų | 65 | 69.2 Ų | 69.2 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 176 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | L421 K442 L443 A444 T448 C449 I450 | L421-C446 HydrophobicContact CD1-CB 4.12Å; K442-C446 PolarHBondContact O-N 3.04Å; K442-C446 PolarHBondContact O-SG 3.36Å; K442-C446 VanDerWaalsContact O-SG 3.36Å; L443-C446 PolarHBondContact O-N 3.42Å; A444-C446 PolarHBondContact O-N 2.97Å; C446-T448 VanDerWaalsContact C-N 3.27Å; C446-T448 PolarHBondContact O-N 2.99Å; C446-C449 WeakPolarHBondContact O-CB 3.12Å; C446-C449 PolarHBondContact O-N 3.07Å; C446-I450 WeakPolarHBondContact O-CD1 3.44Å; C446-I450 WeakPolarHBondContact O-CG1 3.47Å; C446-I450 PolarHBondContact O-N 3.36Å |
| 447 | A | 80.5 | Confident | 81.4 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 7% | 0.066 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L443 A444 K445 T451 | L443-A447 PolarHBondContact O-N 3.47Å; A444-A447 PolarHBondContact O-N 3.45Å; K445-A447 PolarHBondContact O-N 3.16Å; A447-T451 PolarHBondContact O-N 3.41Å; A447-T451 PolarHBondContact O-OG1 2.94Å |
| 448 | T | 83.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 172.4 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | A444 K445 C446 I450 T451 V452 | A444-T448 PolarHBondContact O-N 2.86Å; A444-T448 PolarHBondContact O-OG1 3.47Å; A444-T448 VanDerWaalsContact O-OG1 3.07Å; K445-T448 WeakPolarHBondContact O-CB 3.12Å; K445-T448 PolarHBondContact O-N 3.49Å; C446-T448 VanDerWaalsContact C-N 3.27Å; C446-T448 PolarHBondContact O-N 2.99Å; T448-I450 VanDerWaalsContact C-N 3.32Å; T448-I450 PolarHBondContact O-N 3.47Å; T448-T451 WeakPolarHBondContact O-CA 3.34Å; T448-T451 VanDerWaalsContact O-CB 3.24Å; T448-T451 WeakPolarHBondContact O-CB 3.48Å; T448-T451 PolarHBondContact O-N 3.3Å; T448-V452 PolarHBondContact O-N 3.01Å |
| 449 | C | 86.6 | Confident | 83.3 | Confident | 87 Ų | 87 | 65 Ų | 65 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.2 | -43.1 | 175 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | K445 C446 T451 V452 A453 | K445-C449 PolarHBondContact O-N 3.49Å; K445-C449 PolarHBondContact O-SG 2.98Å; C446-C449 WeakPolarHBondContact O-CB 3.12Å; C446-C449 PolarHBondContact O-N 3.07Å; C449-T451 VanDerWaalsContact C-N 3.28Å; C449-T451 PolarHBondContact O-N 3.22Å; C449-V452 PolarHBondContact O-N 2.84Å; C449-A453 PolarHBondContact O-N 2.93Å |
| 450 | I | 85.7 | Confident | 84.3 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -31.4 | 176.9 | -62.4 | 152.5 | 0 | 0 | 0 | 111.1 | L414 F417 R418 L421 C446 T448 V452 A453 T454 | L414-I450 HydrophobicContact CB-CG2 4.32Å; L414-I450 VanDerWaalsContact O-CG2 3.28Å; L414-I450 WeakPolarHBondContact O-CG2 3.43Å; F417-I450 HydrophobicContact CD1-CD1 3.32Å; F417-I450 HydrophobicContact CD1-CG1 4Å; F417-I450 HydrophobicContact CE1-CD1 3.43Å; F417-I450 VanDerWaalsContact CE1-CD1 3.43Å; F417-I450 HydrophobicContact CE1-CG1 4.23Å; F417-I450 HydrophobicContact CG-CD1 4.42Å; R418-I450 HydrophobicContact CB-CB 4.4Å; R418-I450 HydrophobicContact CB-CG2 3.77Å; L421-I450 HydrophobicContact CD1-CD1 3.25Å; L421-I450 HydrophobicContact CG-CD1 4.38Å; C446-I450 WeakPolarHBondContact O-CD1 3.44Å; C446-I450 WeakPolarHBondContact O-CG1 3.47Å; C446-I450 PolarHBondContact O-N 3.36Å; T448-I450 VanDerWaalsContact C-N 3.32Å; T448-I450 PolarHBondContact O-N 3.47Å; I450-V452 VanDerWaalsContact C-N 3.35Å; I450-A453 PolarHBondContact O-N 3.4Å; I450-T454 VanDerWaalsContact O-CB 3.31Å; I450-T454 WeakPolarHBondContact O-CB 3.35Å; I450-T454 PolarHBondContact O-N 3.28Å; I450-T454 PolarHBondContact O-OG1 2.82Å |
| 451 | T | 82 | Confident | 85.2 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 172.5 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | R418 A447 T448 C449 T454 S455 | R418-T451 WeakPolarHBondContact CD-OG1 3.33Å; R418-T451 PolarHBondContact NE-OG1 2.89Å; R418-T451 VanDerWaalsContact NH1-CG2 3.34Å; R418-T451 PolarHBondContact NH1-OG1 2.99Å; R418-T451 PolarHBondContact NH2-OG1 3.27Å; A447-T451 PolarHBondContact O-N 3.41Å; A447-T451 PolarHBondContact O-OG1 2.94Å; T448-T451 WeakPolarHBondContact O-CA 3.34Å; T448-T451 VanDerWaalsContact O-CB 3.24Å; T448-T451 WeakPolarHBondContact O-CB 3.48Å; T448-T451 PolarHBondContact O-N 3.3Å; C449-T451 VanDerWaalsContact C-N 3.28Å; C449-T451 PolarHBondContact O-N 3.22Å; T451-T454 PolarHBondContact O-N 2.93Å; T451-S455 PolarHBondContact O-N 2.89Å; T451-S455 PolarHBondContact O-OG 2.74Å |
| 452 | V | 87.5 | Confident | 85.9 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | T448 C449 I450 T454 S455 L456 | T448-V452 PolarHBondContact O-N 3.01Å; C449-V452 PolarHBondContact O-N 2.84Å; I450-V452 VanDerWaalsContact C-N 3.35Å; V452-T454 VanDerWaalsContact C-N 3.31Å; V452-T454 PolarHBondContact O-N 3.46Å; V452-S455 WeakPolarHBondContact O-CB 3.5Å; V452-S455 PolarHBondContact O-N 2.97Å; V452-S455 VanDerWaalsContact O-N 3.11Å; V452-L456 HydrophobicContact CG1-CD1 3.98Å; V452-L456 HydrophobicContact CG1-CG 4.29Å; V452-L456 WeakPolarHBondContact O-CG 3.49Å; V452-L456 PolarHBondContact O-N 3.22Å |
| 453 | A | 88 | Confident | 86.5 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L414 C449 I450 L456 L457 | L414-A453 HydrophobicContact CD1-CB 4.28Å; C449-A453 PolarHBondContact O-N 2.93Å; I450-A453 PolarHBondContact O-N 3.4Å; A453-L456 PolarHBondContact O-N 2.95Å; A453-L457 VanDerWaalsContact O-CB 3.28Å; A453-L457 WeakPolarHBondContact O-CB 3.39Å; A453-L457 PolarHBondContact O-N 2.77Å |
| 454 | T | 84 | Confident | 87.3 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | V411 I450 T451 V452 L457 R458 | V411-T454 HydrophobicContact CG1-CG2 4.29Å; I450-T454 VanDerWaalsContact O-CB 3.31Å; I450-T454 WeakPolarHBondContact O-CB 3.35Å; I450-T454 PolarHBondContact O-N 3.28Å; I450-T454 PolarHBondContact O-OG1 2.82Å; T451-T454 PolarHBondContact O-N 2.93Å; V452-T454 VanDerWaalsContact C-N 3.31Å; V452-T454 PolarHBondContact O-N 3.46Å; T454-L457 PolarHBondContact O-N 3.19Å; T454-R458 WeakPolarHBondContact O-CG 3.31Å; T454-R458 PolarHBondContact O-N 2.9Å |
| 455 | S | 84.2 | Confident | 88.2 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 177.3 | -63.5 | 0 | 0 | 0 | 0 | 112 | T451 V452 L457 R458 I459 | T451-S455 PolarHBondContact O-N 2.89Å; T451-S455 PolarHBondContact O-OG 2.74Å; V452-S455 WeakPolarHBondContact O-CB 3.5Å; V452-S455 PolarHBondContact O-N 2.97Å; V452-S455 VanDerWaalsContact O-N 3.11Å; S455-L457 VanDerWaalsContact C-N 3.34Å; S455-L457 PolarHBondContact O-N 3.41Å; S455-R458 WeakPolarHBondContact O-CB 3.49Å; S455-R458 PolarHBondContact O-N 3.49Å; S455-I459 WeakPolarHBondContact O-CG1 3.17Å; S455-I459 PolarHBondContact O-N 2.87Å; S455-I459 VanDerWaalsContact O-N 3.09Å |
| 456 | L | 88.6 | Confident | 88.8 | Confident | 106 Ų | 106 | 38.5 Ų | 38.5 | 56% | 0.555 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.1 | -41.9 | 176 | -69.4 | 175 | 0 | 0 | 0 | 111.8 | V452 A453 R458 I459 S460 | V452-L456 HydrophobicContact CG1-CD1 3.98Å; V452-L456 HydrophobicContact CG1-CG 4.29Å; V452-L456 WeakPolarHBondContact O-CG 3.49Å; V452-L456 PolarHBondContact O-N 3.22Å; A453-L456 PolarHBondContact O-N 2.95Å; L456-R458 VanDerWaalsContact C-N 3.31Å; L456-R458 PolarHBondContact O-N 2.84Å; L456-I459 WeakPolarHBondContact O-CB 3.48Å; L456-I459 PolarHBondContact O-N 3.46Å; L456-S460 WeakPolarHBondContact O-CB 3.4Å; L456-S460 PolarHBondContact O-N 3.49Å |
| 457 | L | 89.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 176.7 | -176.5 | 64.5 | 0 | 0 | 0 | 112 | L410 V411 L414 A453 T454 S455 S460 N461 | L410-L457 VanDerWaalsContact C-CD2 3.49Å; L410-L457 HydrophobicContact CB-CD2 3.75Å; V411-L457 HydrophobicContact CB-CD2 4.39Å; V411-L457 HydrophobicContact CG2-CD2 3.74Å; V411-L457 HydrophobicContact CG2-CG 3.85Å; L414-L457 HydrophobicContact CD1-CB 4.32Å; L414-L457 HydrophobicContact CD1-CD2 3.64Å; L414-L457 HydrophobicContact CG-CD2 4.37Å; A453-L457 VanDerWaalsContact O-CB 3.28Å; A453-L457 WeakPolarHBondContact O-CB 3.39Å; A453-L457 PolarHBondContact O-N 2.77Å; T454-L457 PolarHBondContact O-N 3.19Å; S455-L457 VanDerWaalsContact C-N 3.34Å; S455-L457 PolarHBondContact O-N 3.41Å; L457-S460 PolarHBondContact O-N 3.39Å; L457-N461 WeakPolarHBondContact O-CB 3.41Å; L457-N461 VanDerWaalsContact O-CG 3.32Å; L457-N461 PolarHBondContact O-N 2.89Å |
| 458 | R | 88 | Confident | 90.2 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 173.4 | -74.6 | 179.3 | -170.9 | -79 | -7.6 | 112.3 | E359 V411 R415 T454 S455 L456 N461 S462 | E359-R458 IonicContact OE1-CZ 2.93Å; E359-R458 IonicContact OE1-NH1 2.68Å; E359-R458 IonicContact OE1-NH2 2.98Å; E359-R458 PolarHBondContact OE1-NH2 3.23Å; E359-R458 IonicContact OE2-CZ 2.76Å; E359-R458 VanDerWaalsContact OE2-CZ 3.29Å; E359-R458 IonicContact OE2-NH1 3.35Å; E359-R458 PolarHBondContact OE2-NH1 3.08Å; E359-R458 IonicContact OE2-NH2 3.92Å; E359-R458 PolarHBondContact OE2-NH2 2.96Å; E359-R458 VanDerWaalsContact OE2-NH2 3.14Å; V411-R458 HydrophobicContact CG1-CG 4.04Å; V411-R458 VanDerWaalsContact CG1-CZ 3.49Å; V411-R458 VanDerWaalsContact CG1-NH2 3.34Å; V411-R458 HydrophobicContact CG2-CG 4.32Å; R415-R458 VanDerWaalsContact CZ-NH2 3.3Å; T454-R458 WeakPolarHBondContact O-CG 3.31Å; T454-R458 PolarHBondContact O-N 2.9Å; S455-R458 WeakPolarHBondContact O-CB 3.49Å; S455-R458 PolarHBondContact O-N 3.49Å; L456-R458 VanDerWaalsContact C-N 3.31Å; L456-R458 PolarHBondContact O-N 2.84Å; R458-N461 PolarHBondContact O-N 3.23Å; R458-S462 PolarHBondContact O-N 3.32Å; R458-S462 VanDerWaalsContact O-N 3.09Å |
| 459 | I | 89.7 | Confident | 90.7 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -50.3 | 174.7 | -67 | 164.3 | 0 | 0 | 0 | 109.8 | S455 L456 N461 S462 A463 F493 Y497 | S455-I459 WeakPolarHBondContact O-CG1 3.17Å; S455-I459 PolarHBondContact O-N 2.87Å; S455-I459 VanDerWaalsContact O-N 3.09Å; L456-I459 WeakPolarHBondContact O-CB 3.48Å; L456-I459 PolarHBondContact O-N 3.46Å; I459-N461 VanDerWaalsContact C-N 3.31Å; I459-N461 PolarHBondContact O-N 3.08Å; I459-S462 PolarHBondContact O-N 3.26Å; I459-A463 PolarHBondContact O-N 3.42Å; I459-A463 VanDerWaalsContact O-N 3.12Å; I459-F493 HydrophobicContact CG2-CE1 3.57Å; I459-F493 HydrophobicContact CG2-CZ 4.04Å; I459-Y497 HydrophobicContact CB-CE2 4.49Å; I459-Y497 HydrophobicContact CD1-CD1 4.06Å; I459-Y497 HydrophobicContact CD1-CE1 3.76Å; I459-Y497 HydrophobicContact CG1-CD1 3.97Å; I459-Y497 HydrophobicContact CG1-CD2 4.34Å; I459-Y497 HydrophobicContact CG1-CE1 3.45Å; I459-Y497 VanDerWaalsContact CG1-CE1 3.45Å; I459-Y497 HydrophobicContact CG1-CE2 3.85Å; I459-Y497 HydrophobicContact CG1-CG 4.4Å; I459-Y497 HydrophobicContact CG2-CD2 4.46Å |
| 460 | S | 91.9 | Very high | 91 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.8 | -42.6 | 177.5 | -171.9 | 0 | 0 | 0 | 0 | 112 | L456 L457 S462 A463 T464 | L456-S460 WeakPolarHBondContact O-CB 3.4Å; L456-S460 PolarHBondContact O-N 3.49Å; L457-S460 PolarHBondContact O-N 3.39Å; S460-S462 PolarHBondContact O-N 3.44Å; S460-A463 PolarHBondContact O-N 2.92Å; S460-T464 WeakPolarHBondContact O-CB 3.29Å; S460-T464 PolarHBondContact O-N 3.25Å; S460-T464 PolarHBondContact O-OG1 3.08Å |
| 461 | N | 93.8 | Very high | 91.3 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.6 | -84.6 | 1.8 | 0 | 0 | 0 | 111.7 | A407 V411 L457 R458 I459 A463 T464 M465 Y475 | A407-N461 PolarHBondContact O-ND2 3.04Å; V411-N461 WeakPolarHBondContact CG2-ND2 3.38Å; L457-N461 WeakPolarHBondContact O-CB 3.41Å; L457-N461 VanDerWaalsContact O-CG 3.32Å; L457-N461 PolarHBondContact O-N 2.89Å; R458-N461 PolarHBondContact O-N 3.23Å; I459-N461 VanDerWaalsContact C-N 3.31Å; I459-N461 PolarHBondContact O-N 3.08Å; N461-A463 VanDerWaalsContact C-N 3.29Å; N461-A463 PolarHBondContact O-N 2.67Å; N461-T464 PolarHBondContact O-N 2.85Å; N461-M465 VanDerWaalsContact O-CG 3.26Å; N461-M465 WeakPolarHBondContact O-CG 3.32Å; N461-M465 PolarHBondContact O-N 3.26Å; N461-Y475 PolarHBondContact OD1-OH 3.37Å |
| 462 | S | 92.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 28 Ų | 28 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | R458 I459 S460 M465 A466 S559 | R458-S462 PolarHBondContact O-N 3.32Å; R458-S462 VanDerWaalsContact O-N 3.09Å; I459-S462 PolarHBondContact O-N 3.26Å; S460-S462 PolarHBondContact O-N 3.44Å; S462-M465 PolarHBondContact O-N 3.43Å; S462-A466 PolarHBondContact O-N 3.21Å; S462-S559 WeakPolarHBondContact OG-CB 2.94Å |
| 463 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.5 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I459 S460 N461 M465 A466 V467 A482 I486 F493 I563 | I459-A463 PolarHBondContact O-N 3.42Å; I459-A463 VanDerWaalsContact O-N 3.12Å; S460-A463 PolarHBondContact O-N 2.92Å; N461-A463 VanDerWaalsContact C-N 3.29Å; N461-A463 PolarHBondContact O-N 2.67Å; A463-M465 VanDerWaalsContact C-N 3.33Å; A463-M465 PolarHBondContact O-N 2.88Å; A463-A466 WeakPolarHBondContact O-CB 3.22Å; A463-A466 PolarHBondContact O-N 3.35Å; A463-V467 PolarHBondContact O-N 3.12Å; A463-A482 HydrophobicContact CB-CB 4.06Å; A463-I486 HydrophobicContact CB-CD1 3.61Å; A463-I486 HydrophobicContact CB-CG1 4.44Å; A463-F493 HydrophobicContact CB-CZ 4.15Å; A463-I563 HydrophobicContact CB-CD1 3.67Å; A463-I563 HydrophobicContact CB-CG1 3.86Å |
| 464 | T | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | S460 N461 A466 V467 I468 Y475 A478 A479 | S460-T464 WeakPolarHBondContact O-CB 3.29Å; S460-T464 PolarHBondContact O-N 3.25Å; S460-T464 PolarHBondContact O-OG1 3.08Å; N461-T464 PolarHBondContact O-N 2.85Å; T464-A466 VanDerWaalsContact C-N 3.3Å; T464-A466 PolarHBondContact O-N 3.43Å; T464-V467 PolarHBondContact O-N 3.23Å; T464-V467 VanDerWaalsContact O-N 3.16Å; T464-I468 HydrophobicContact CG2-CD1 4.11Å; T464-I468 HydrophobicContact CG2-CG1 4.49Å; T464-I468 WeakPolarHBondContact O-CG1 3.34Å; T464-I468 PolarHBondContact O-N 3.13Å; T464-Y475 HydrophobicContact CG2-CD2 3.69Å; T464-Y475 HydrophobicContact CG2-CE2 3.75Å; T464-Y475 HydrophobicContact CG2-CG 4.18Å; T464-A478 HydrophobicContact CG2-CB 3.78Å; T464-A479 HydrophobicContact CG2-CB 3.97Å; T464-A479 WeakPolarHBondContact OG1-CA 3.44Å |
| 465 | M | 96.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -36.3 | 176.5 | -66.1 | -54.3 | 164.7 | 0 | 0 | 112.4 | A363 C366 L367 A407 N461 S462 A463 I468 A469 Y475 | A363-M465 HydrophobicContact CB-CE 4.04Å; C366-M465 HydrophobicContact CB-CG 4.41Å; L367-M465 HydrophobicContact CB-CB 4.25Å; L367-M465 HydrophobicContact CB-CG 4.2Å; L367-M465 HydrophobicContact CB-SD 3.77Å; L367-M465 HydrophobicContact CD1-CB 4.07Å; L367-M465 WeakPolarHBondContact CD1-O 3.35Å; L367-M465 HydrophobicContact CD1-SD 4.09Å; L367-M465 HydrophobicContact CD2-SD 3.99Å; L367-M465 HydrophobicContact CG-SD 4.16Å; A407-M465 HydrophobicContact CB-CE 3.24Å; N461-M465 VanDerWaalsContact O-CG 3.26Å; N461-M465 WeakPolarHBondContact O-CG 3.32Å; N461-M465 PolarHBondContact O-N 3.26Å; S462-M465 PolarHBondContact O-N 3.43Å; A463-M465 VanDerWaalsContact C-N 3.33Å; A463-M465 PolarHBondContact O-N 2.88Å; M465-I468 PolarHBondContact O-N 3.34Å; M465-I468 HydrophobicContact SD-CD1 4.11Å; M465-A469 WeakPolarHBondContact O-CB 3.48Å; M465-A469 PolarHBondContact O-N 3.24Å; M465-Y475 HydrophobicContact CE-CD2 4.47Å |
| 466 | A | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S462 A463 T464 A469 V470 T560 I563 | S462-A466 PolarHBondContact O-N 3.21Å; A463-A466 WeakPolarHBondContact O-CB 3.22Å; A463-A466 PolarHBondContact O-N 3.35Å; T464-A466 VanDerWaalsContact C-N 3.3Å; T464-A466 PolarHBondContact O-N 3.43Å; A466-A469 WeakPolarHBondContact O-CB 3.34Å; A466-A469 PolarHBondContact O-N 3.4Å; A466-V470 PolarHBondContact O-N 3.27Å; A466-T560 HydrophobicContact CB-CG2 4.03Å; A466-I563 HydrophobicContact CB-CB 3.8Å; A466-I563 HydrophobicContact CB-CG1 4.18Å; A466-I563 HydrophobicContact CB-CG2 3.81Å |
| 467 | V | 95.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.5 | -48.9 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | A463 T464 A469 V470 D471 A478 N481 A482 L485 I563 | A463-V467 PolarHBondContact O-N 3.12Å; T464-V467 PolarHBondContact O-N 3.23Å; T464-V467 VanDerWaalsContact O-N 3.16Å; V467-A469 PolarHBondContact O-N 3.01Å; V467-V470 PolarHBondContact O-N 2.94Å; V467-D471 WeakPolarHBondContact CG1-OD2 3.38Å; V467-D471 PolarHBondContact O-N 3Å; V467-A478 HydrophobicContact CB-CB 4.13Å; V467-A478 HydrophobicContact CG1-CB 3.87Å; V467-N481 HydrophobicContact CG1-CB 4.08Å; V467-A482 HydrophobicContact CG2-CB 3.81Å; V467-L485 HydrophobicContact CG2-CD1 3.9Å; V467-I563 HydrophobicContact CG2-CG2 4.07Å |
| 468 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.4 | -36.7 | 175.2 | -63.8 | 172.6 | 0 | 0 | 0 | 111.3 | R16 L367 H400 T464 M465 V470 D471 G472 A478 | R16-I468 PolarHBondContact NH1-O 2.9Å; L367-I468 HydrophobicContact CD1-CB 4.05Å; L367-I468 HydrophobicContact CD1-CG2 3.94Å; L367-I468 HydrophobicContact CD2-CG2 4.23Å; H400-I468 WeakPolarHBondContact ND1-CG2 3.41Å; T464-I468 HydrophobicContact CG2-CD1 4.11Å; T464-I468 HydrophobicContact CG2-CG1 4.49Å; T464-I468 WeakPolarHBondContact O-CG1 3.34Å; T464-I468 PolarHBondContact O-N 3.13Å; M465-I468 PolarHBondContact O-N 3.34Å; M465-I468 HydrophobicContact SD-CD1 4.11Å; I468-V470 VanDerWaalsContact C-N 3.28Å; I468-V470 PolarHBondContact O-N 3.29Å; I468-D471 WeakPolarHBondContact CA-OD1 3.43Å; I468-G472 VanDerWaalsContact O-CA 3.25Å; I468-G472 WeakPolarHBondContact O-CA 3.42Å; I468-G472 PolarHBondContact O-N 3.19Å; I468-A478 HydrophobicContact CD1-CB 4.15Å; I468-A478 HydrophobicContact CG1-CB 3.36Å |
| 469 | A | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -36.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R16 L367 S370 I371 A374 M465 A466 V467 | R16-A469 PolarHBondContact NH2-O 3.12Å; L367-A469 HydrophobicContact CD1-CB 4.34Å; S370-A469 VanDerWaalsContact C-CB 3.49Å; I371-A469 HydrophobicContact CG1-CB 3.91Å; A374-A469 HydrophobicContact CB-CB 4.21Å; M465-A469 WeakPolarHBondContact O-CB 3.48Å; M465-A469 PolarHBondContact O-N 3.24Å; A466-A469 WeakPolarHBondContact O-CB 3.34Å; A466-A469 PolarHBondContact O-N 3.4Å; V467-A469 PolarHBondContact O-N 3.01Å |
| 470 | V | 93.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -82.4 | -53.3 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | V10 V12 T13 A374 F378 A466 V467 I468 I567 | V10-V470 HydrophobicContact CG1-CG1 3.91Å; V12-V470 WeakPolarHBondContact CA-O 3.13Å; T13-V470 PolarHBondContact N-O 3.41Å; A374-V470 HydrophobicContact CB-CG2 3.93Å; F378-V470 HydrophobicContact CD2-CG2 4.43Å; F378-V470 HydrophobicContact CE2-CG2 3.88Å; A466-V470 PolarHBondContact O-N 3.27Å; V467-V470 PolarHBondContact O-N 2.94Å; I468-V470 VanDerWaalsContact C-N 3.28Å; I468-V470 PolarHBondContact O-N 3.29Å; V470-I567 HydrophobicContact CB-CD1 4.48Å; V470-I567 HydrophobicContact CG2-CD1 4.11Å |
| 471 | D | 92.1 | Very high | 95.5 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -97.5 | -15.8 | -167.9 | 72.5 | -0.7 | 0 | 0 | 0 | 114.5 | T13 V467 I468 S473 | T13-D471 WeakPolarHBondContact CG2-O 3.4Å; V467-D471 WeakPolarHBondContact CG1-OD2 3.38Å; V467-D471 PolarHBondContact O-N 3Å; I468-D471 WeakPolarHBondContact CA-OD1 3.43Å; D471-S473 PolarHBondContact O-N 3.36Å; D471-S473 WeakPolarHBondContact OD1-CB 3.43Å; D471-S473 PolarHBondContact OD1-N 3.34Å; D471-S473 PolarHBondContact OD1-OG 2.97Å; D471-S473 VanDerWaalsContact OD2-CB 3.3Å; D471-S473 WeakPolarHBondContact OD2-CB 3.28Å; D471-S473 PolarHBondContact OD2-OG 3Å |
| 472 | G | 93.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | trans | 63.8 | 20.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I468 | I468-G472 VanDerWaalsContact O-CA 3.25Å; I468-G472 WeakPolarHBondContact O-CA 3.42Å; I468-G472 PolarHBondContact O-N 3.19Å | ||
| 473 | S | 95.2 | Very high | 95.6 | Very high | 26 Ų | 26 | 25 Ų | 25 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | trans | -74.7 | 169.1 | -179.9 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | D471 A478 | D471-S473 PolarHBondContact O-N 3.36Å; D471-S473 WeakPolarHBondContact OD1-CB 3.43Å; D471-S473 PolarHBondContact OD1-N 3.34Å; D471-S473 PolarHBondContact OD1-OG 2.97Å; D471-S473 VanDerWaalsContact OD2-CB 3.3Å; D471-S473 WeakPolarHBondContact OD2-CB 3.28Å; D471-S473 PolarHBondContact OD2-OG 3Å; S473-A478 WeakPolarHBondContact OG-CB 3.43Å; S473-A478 PolarHBondContact OG-N 3.01Å | ||
| 474 | N | 96.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 38% | 0.38 | 20% | 0.195 | S | C | . | . | trans | -73.2 | 161.9 | 173.9 | 70.2 | 50.6 | 0 | 0 | 0 | 110.8 | T19 C476 A477 A478 | T19-N474 HydrophobicContact CG2-CB 4.11Å; N474-C476 VanDerWaalsContact C-N 3.31Å; N474-C476 PolarHBondContact O-N 3.17Å; N474-C476 PolarHBondContact OD1-N 3.3Å; N474-A477 PolarHBondContact O-N 3.43Å; N474-A477 PolarHBondContact OD1-N 3.5Å; N474-A478 WeakPolarHBondContact O-CB 3.37Å; N474-A478 PolarHBondContact O-N 3.46Å | ||
| 475 | Y | 97.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.9 | -43.3 | -174.4 | 178.5 | -81.5 | 0 | 0 | 0 | 113.8 | N20 S403 F406 A407 L410 N461 T464 M465 A478 A479 | N20-Y475 PolarHBondContact OD1-N 2.86Å; S403-Y475 PolarHBondContact OG-N 3.01Å; F406-Y475 AromaticContact CD1-CD1 3.33Å; F406-Y475 HydrophobicContact CD1-CD1 3.33Å; F406-Y475 HydrophobicContact CD1-CD2 4.38Å; F406-Y475 AromaticContact CD1-CE1 3.91Å; F406-Y475 HydrophobicContact CD1-CE1 3.91Å; F406-Y475 AromaticContact CD1-CG 3.6Å; F406-Y475 HydrophobicContact CD1-CG 3.6Å; F406-Y475 AromaticContact CE1-CD1 3.33Å; F406-Y475 HydrophobicContact CE1-CD1 3.33Å; F406-Y475 AromaticContact CE1-CE1 3.71Å; F406-Y475 HydrophobicContact CE1-CE1 3.71Å; F406-Y475 HydrophobicContact CE1-CG 4.09Å; A407-Y475 HydrophobicContact CB-CD2 3.86Å; A407-Y475 HydrophobicContact CB-CE2 3.45Å; A407-Y475 VanDerWaalsContact CB-CE2 3.45Å; L410-Y475 HydrophobicContact CD1-CE1 3.7Å; L410-Y475 WeakPolarHBondContact CD1-OH 3.11Å; N461-Y475 PolarHBondContact OD1-OH 3.37Å; T464-Y475 HydrophobicContact CG2-CD2 3.69Å; T464-Y475 HydrophobicContact CG2-CE2 3.75Å; T464-Y475 HydrophobicContact CG2-CG 4.18Å; M465-Y475 HydrophobicContact CE-CD2 4.47Å; Y475-A478 PolarHBondContact O-N 3.01Å; Y475-A479 HydrophobicContact CD1-CB 4.4Å; Y475-A479 HydrophobicContact CE1-CB 4.15Å; Y475-A479 WeakPolarHBondContact O-CB 3.33Å; Y475-A479 PolarHBondContact O-N 2.85Å |
| 476 | C | 96.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 30.7 Ų | 30.7 | 48% | 0.48 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.5 | -42.9 | -174.8 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | N474 A479 S480 | N474-C476 VanDerWaalsContact C-N 3.31Å; N474-C476 PolarHBondContact O-N 3.17Å; N474-C476 PolarHBondContact OD1-N 3.3Å; C476-A479 PolarHBondContact O-N 3.44Å; C476-S480 PolarHBondContact O-N 2.87Å |
| 477 | A | 96.3 | Very high | 94.4 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | N474 A479 S480 N481 | N474-A477 PolarHBondContact O-N 3.43Å; N474-A477 PolarHBondContact OD1-N 3.5Å; A477-A479 VanDerWaalsContact C-N 3.33Å; A477-A479 PolarHBondContact O-N 2.86Å; A477-S480 PolarHBondContact O-N 2.69Å; A477-N481 PolarHBondContact O-N 3.11Å |
| 478 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T464 V467 I468 S473 N474 Y475 N481 A482 | T464-A478 HydrophobicContact CG2-CB 3.78Å; V467-A478 HydrophobicContact CB-CB 4.13Å; V467-A478 HydrophobicContact CG1-CB 3.87Å; I468-A478 HydrophobicContact CD1-CB 4.15Å; I468-A478 HydrophobicContact CG1-CB 3.36Å; S473-A478 WeakPolarHBondContact OG-CB 3.43Å; S473-A478 PolarHBondContact OG-N 3.01Å; N474-A478 WeakPolarHBondContact O-CB 3.37Å; N474-A478 PolarHBondContact O-N 3.46Å; Y475-A478 PolarHBondContact O-N 3.01Å; A478-N481 PolarHBondContact O-N 2.86Å; A478-A482 WeakPolarHBondContact O-CB 3.48Å; A478-A482 PolarHBondContact O-N 3.22Å |
| 479 | A | 96.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T464 Y475 C476 A477 A482 G483 | T464-A479 HydrophobicContact CG2-CB 3.97Å; T464-A479 WeakPolarHBondContact OG1-CA 3.44Å; Y475-A479 HydrophobicContact CD1-CB 4.4Å; Y475-A479 HydrophobicContact CE1-CB 4.15Å; Y475-A479 WeakPolarHBondContact O-CB 3.33Å; Y475-A479 PolarHBondContact O-N 2.85Å; C476-A479 PolarHBondContact O-N 3.44Å; A477-A479 VanDerWaalsContact C-N 3.33Å; A477-A479 PolarHBondContact O-N 2.86Å; A479-A482 PolarHBondContact O-N 3.4Å; A479-G483 PolarHBondContact O-N 3.39Å |
| 480 | S | 96.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.6 | -48.6 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | C476 A477 G483 A484 | C476-S480 PolarHBondContact O-N 2.87Å; A477-S480 PolarHBondContact O-N 2.69Å; S480-G483 PolarHBondContact O-N 2.83Å; S480-A484 PolarHBondContact O-N 2.83Å |
| 481 | N | 94.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 43.1 Ų | 43.1 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 178.3 | -69.4 | -10.7 | 0 | 0 | 0 | 111.8 | V467 A477 A478 G483 A484 L485 | V467-N481 HydrophobicContact CG1-CB 4.08Å; A477-N481 PolarHBondContact O-N 3.11Å; A478-N481 PolarHBondContact O-N 2.86Å; N481-G483 VanDerWaalsContact C-N 3.32Å; N481-G483 PolarHBondContact O-N 3.48Å; N481-A484 PolarHBondContact O-N 3.37Å; N481-L485 WeakPolarHBondContact O-CB 3.39Å; N481-L485 WeakPolarHBondContact O-CD1 3.48Å; N481-L485 VanDerWaalsContact O-CG 3.25Å; N481-L485 WeakPolarHBondContact O-CG 3.46Å; N481-L485 PolarHBondContact O-N 3.4Å |
| 482 | A | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A463 V467 A478 A479 L485 I486 | A463-A482 HydrophobicContact CB-CB 4.06Å; V467-A482 HydrophobicContact CG2-CB 3.81Å; A478-A482 WeakPolarHBondContact O-CB 3.48Å; A478-A482 PolarHBondContact O-N 3.22Å; A479-A482 PolarHBondContact O-N 3.4Å; A482-L485 PolarHBondContact O-N 3.49Å; A482-I486 WeakPolarHBondContact O-CB 3.39Å; A482-I486 VanDerWaalsContact O-CG1 3.26Å; A482-I486 WeakPolarHBondContact O-CG1 3.33Å; A482-I486 PolarHBondContact O-N 2.83Å |
| 483 | G | 93.3 | Very high | 92 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A479 S480 N481 I486 G487 | A479-G483 PolarHBondContact O-N 3.39Å; S480-G483 PolarHBondContact O-N 2.83Å; N481-G483 VanDerWaalsContact C-N 3.32Å; N481-G483 PolarHBondContact O-N 3.48Å; G483-I486 PolarHBondContact O-N 3.4Å; G483-G487 PolarHBondContact O-N 2.96Å |
| 484 | A | 91.9 | Very high | 91.5 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 60% | 0.595 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S480 N481 G487 G488 | S480-A484 PolarHBondContact O-N 2.83Å; N481-A484 PolarHBondContact O-N 3.37Å; A484-G487 PolarHBondContact O-N 3.35Å; A484-G488 PolarHBondContact O-N 3.09Å |
| 485 | L | 90.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 177.3 | -73 | 164.3 | 0 | 0 | 0 | 112.3 | V467 N481 A482 N489 I563 I567 | V467-L485 HydrophobicContact CG2-CD1 3.9Å; N481-L485 WeakPolarHBondContact O-CB 3.39Å; N481-L485 WeakPolarHBondContact O-CD1 3.48Å; N481-L485 VanDerWaalsContact O-CG 3.25Å; N481-L485 WeakPolarHBondContact O-CG 3.46Å; N481-L485 PolarHBondContact O-N 3.4Å; A482-L485 PolarHBondContact O-N 3.49Å; L485-N489 PolarHBondContact O-N 3.33Å; L485-I563 HydrophobicContact CD1-CG2 4.46Å; L485-I567 HydrophobicContact CD1-CD1 4.23Å; L485-I567 HydrophobicContact CD1-CG1 3.61Å; L485-I567 HydrophobicContact CD2-CG1 4Å; L485-I567 HydrophobicContact CG-CG1 4.48Å |
| 486 | I | 90.1 | Very high | 90.6 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 175.1 | -68 | 168.9 | 0 | 0 | 0 | 109.9 | A463 A482 G483 G488 N489 L490 F493 I563 | A463-I486 HydrophobicContact CB-CD1 3.61Å; A463-I486 HydrophobicContact CB-CG1 4.44Å; A482-I486 WeakPolarHBondContact O-CB 3.39Å; A482-I486 VanDerWaalsContact O-CG1 3.26Å; A482-I486 WeakPolarHBondContact O-CG1 3.33Å; A482-I486 PolarHBondContact O-N 2.83Å; G483-I486 PolarHBondContact O-N 3.4Å; I486-G488 VanDerWaalsContact C-N 3.3Å; I486-G488 PolarHBondContact O-N 3.47Å; I486-N489 CarbonylContact O-C 3.44Å; I486-N489 VanDerWaalsContact O-C 3.31Å; I486-N489 PolarHBondContact O-N 3.27Å; I486-N489 VanDerWaalsContact O-N 3.13Å; I486-L490 HydrophobicContact CG2-CD1 3.65Å; I486-L490 WeakPolarHBondContact O-CA 3.46Å; I486-L490 WeakPolarHBondContact O-CB 3.48Å; I486-L490 PolarHBondContact O-N 3.36Å; I486-F493 HydrophobicContact CD1-CD1 4.08Å; I486-F493 HydrophobicContact CD1-CE1 3.71Å; I486-F493 HydrophobicContact CD1-CZ 4.18Å; I486-F493 HydrophobicContact CG1-CD1 3.81Å; I486-F493 HydrophobicContact CG1-CE1 3.95Å; I486-F493 HydrophobicContact CG1-CG 4.2Å; I486-F493 HydrophobicContact CG1-CZ 4.47Å; I486-F493 HydrophobicContact CG2-CD1 4.02Å; I486-I563 HydrophobicContact CD1-CD1 4.47Å; I486-I563 HydrophobicContact CG1-CD1 3.96Å |
| 487 | G | 88.1 | Confident | 90.1 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.1 | -42.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G483 A484 N489 | G483-G487 PolarHBondContact O-N 2.96Å; A484-G487 PolarHBondContact O-N 3.35Å; G487-N489 VanDerWaalsContact C-N 3.34Å; G487-N489 PolarHBondContact O-N 3.05Å |
| 488 | G | 85.8 | Confident | 89.5 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 64% | 0.639 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72.6 | -19.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | A484 I486 | A484-G488 PolarHBondContact O-N 3.09Å; I486-G488 VanDerWaalsContact C-N 3.3Å; I486-G488 PolarHBondContact O-N 3.47Å |
| 489 | N | 85.5 | Confident | 89 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | 35.9 | -177.1 | -67.9 | -78.8 | 0 | 0 | 0 | 112.5 | L485 I486 G487 G491 K492 F493 Q569 | L485-N489 PolarHBondContact O-N 3.33Å; I486-N489 CarbonylContact O-C 3.44Å; I486-N489 VanDerWaalsContact O-C 3.31Å; I486-N489 PolarHBondContact O-N 3.27Å; I486-N489 VanDerWaalsContact O-N 3.13Å; G487-N489 VanDerWaalsContact C-N 3.34Å; G487-N489 PolarHBondContact O-N 3.05Å; N489-G491 VanDerWaalsContact C-N 3.32Å; N489-G491 PolarHBondContact O-N 3.21Å; N489-K492 PolarHBondContact O-N 2.72Å; N489-K492 VanDerWaalsContact O-N 3.13Å; N489-F493 PolarHBondContact O-N 3.05Å; N489-F493 VanDerWaalsContact O-N 3.11Å; N489-Q569 PolarHBondContact OD1-NE2 2.91Å; N489-Q569 PolarHBondContact OD1-OE1 3.28Å |
| 490 | L | 85.2 | Confident | 88.5 | Confident | 111 Ų | 111 | 38.3 Ų | 38.3 | 58% | 0.581 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.8 | -43.4 | -166.8 | -179.6 | 63.4 | 0 | 0 | 0 | 112.7 | I486 G494 | I486-L490 HydrophobicContact CG2-CD1 3.65Å; I486-L490 WeakPolarHBondContact O-CA 3.46Å; I486-L490 WeakPolarHBondContact O-CB 3.48Å; I486-L490 PolarHBondContact O-N 3.36Å; L490-G494 WeakPolarHBondContact O-CA 3.38Å; L490-G494 PolarHBondContact O-N 2.98Å |
| 491 | G | 84.8 | Confident | 87.8 | Confident | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N489 A495 | N489-G491 VanDerWaalsContact C-N 3.32Å; N489-G491 PolarHBondContact O-N 3.21Å; G491-A495 WeakPolarHBondContact O-CB 3.45Å; G491-A495 PolarHBondContact O-N 2.88Å |
| 492 | K | 86.5 | Confident | 87.2 | Confident | 49 Ų | 49 | 35.4 Ų | 35.4 | 21% | 0.213 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -49.7 | -179.5 | -65.1 | -177.1 | -174 | -178.5 | 0 | 112.1 | Y267 F270 N489 T496 Q569 | Y267-K492 HydrophobicContact CD1-CB 4.48Å; Y267-K492 HydrophobicContact CD1-CG 3.84Å; Y267-K492 HydrophobicContact CE1-CG 4.09Å; F270-K492 HydrophobicContact CD1-CB 4.04Å; F270-K492 HydrophobicContact CD2-CD 4.22Å; F270-K492 HydrophobicContact CE1-CB 4.01Å; F270-K492 HydrophobicContact CE2-CD 4.4Å; F270-K492 HydrophobicContact CG-CB 4.44Å; F270-K492 HydrophobicContact CG-CD 4.42Å; F270-K492 HydrophobicContact CZ-CB 4.37Å; N489-K492 PolarHBondContact O-N 2.72Å; N489-K492 VanDerWaalsContact O-N 3.13Å; K492-T496 WeakPolarHBondContact O-CB 3.5Å; K492-T496 PolarHBondContact O-N 3.32Å; K492-T496 VanDerWaalsContact O-N 3.13Å; K492-T496 PolarHBondContact O-OG1 3.05Å; K492-Q569 VanDerWaalsContact NZ-NE2 3.15Å |
| 493 | F | 87.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 179.5 | 177 | -99.5 | 0 | 0 | 0 | 111.3 | I459 A463 I486 N489 T496 Y497 A562 I563 | I459-F493 HydrophobicContact CG2-CE1 3.57Å; I459-F493 HydrophobicContact CG2-CZ 4.04Å; A463-F493 HydrophobicContact CB-CZ 4.15Å; I486-F493 HydrophobicContact CD1-CD1 4.08Å; I486-F493 HydrophobicContact CD1-CE1 3.71Å; I486-F493 HydrophobicContact CD1-CZ 4.18Å; I486-F493 HydrophobicContact CG1-CD1 3.81Å; I486-F493 HydrophobicContact CG1-CE1 3.95Å; I486-F493 HydrophobicContact CG1-CG 4.2Å; I486-F493 HydrophobicContact CG1-CZ 4.47Å; I486-F493 HydrophobicContact CG2-CD1 4.02Å; N489-F493 PolarHBondContact O-N 3.05Å; N489-F493 VanDerWaalsContact O-N 3.11Å; F493-T496 PolarHBondContact O-N 3.35Å; F493-Y497 WeakPolarHBondContact O-CB 3.05Å; F493-Y497 PolarHBondContact O-N 3.46Å; F493-A562 HydrophobicContact CD2-CB 3.99Å; F493-A562 HydrophobicContact CE2-CB 4.44Å; F493-I563 HydrophobicContact CD2-CD1 3.67Å; F493-I563 HydrophobicContact CD2-CG1 4.12Å; F493-I563 HydrophobicContact CE2-CD1 3.56Å; F493-I563 HydrophobicContact CE2-CG1 3.71Å; F493-I563 HydrophobicContact CG-CD1 4.43Å; F493-I563 HydrophobicContact CZ-CD1 4.23Å |
| 494 | G | 86 | Confident | 86.1 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L490 T496 Y497 A498 | L490-G494 WeakPolarHBondContact O-CA 3.38Å; L490-G494 PolarHBondContact O-N 2.98Å; G494-T496 PolarHBondContact O-N 3.33Å; G494-Y497 PolarHBondContact O-N 3.24Å; G494-A498 VanDerWaalsContact O-CB 3.26Å; G494-A498 WeakPolarHBondContact O-CB 3.43Å; G494-A498 PolarHBondContact O-N 3.23Å |
| 495 | A | 86.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 41 Ų | 41 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M264 Y267 I271 G491 A498 L499 | M264-A495 HydrophobicContact CE-CB 4.46Å; M264-A495 WeakPolarHBondContact CE-O 3.38Å; M264-A495 HydrophobicContact CG-CB 4.28Å; Y267-A495 HydrophobicContact CD2-CB 3.63Å; Y267-A495 HydrophobicContact CE2-CB 4.45Å; Y267-A495 HydrophobicContact CG-CB 3.96Å; I271-A495 HydrophobicContact CD1-CB 4.14Å; G491-A495 WeakPolarHBondContact O-CB 3.45Å; G491-A495 PolarHBondContact O-N 2.88Å; A495-A498 PolarHBondContact O-N 3.05Å; A495-L499 WeakPolarHBondContact O-CB 3.2Å; A495-L499 PolarHBondContact O-N 3.06Å |
| 496 | T | 88.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | F270 V274 F275 K492 F493 G494 C500 V558 A562 | F270-T496 WeakPolarHBondContact CD1-OG1 3.37Å; F270-T496 WeakPolarHBondContact CE1-OG1 3.43Å; V274-T496 HydrophobicContact CB-CG2 4.45Å; V274-T496 HydrophobicContact CG1-CG2 4.14Å; F275-T496 HydrophobicContact CE2-CG2 4.31Å; K492-T496 WeakPolarHBondContact O-CB 3.5Å; K492-T496 PolarHBondContact O-N 3.32Å; K492-T496 VanDerWaalsContact O-N 3.13Å; K492-T496 PolarHBondContact O-OG1 3.05Å; F493-T496 PolarHBondContact O-N 3.35Å; G494-T496 PolarHBondContact O-N 3.33Å; T496-C500 VanDerWaalsContact O-CB 3.3Å; T496-C500 WeakPolarHBondContact O-CB 3.45Å; T496-C500 PolarHBondContact O-N 3.2Å; T496-V558 HydrophobicContact CG2-CG1 3.65Å; T496-A562 HydrophobicContact CG2-CB 4.23Å |
| 497 | Y | 85.8 | Confident | 84.7 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 177.6 | -173.9 | -83.1 | 0 | 0 | 0 | 111.5 | I459 F493 G494 C500 S501 | I459-Y497 HydrophobicContact CB-CE2 4.49Å; I459-Y497 HydrophobicContact CD1-CD1 4.06Å; I459-Y497 HydrophobicContact CD1-CE1 3.76Å; I459-Y497 HydrophobicContact CG1-CD1 3.97Å; I459-Y497 HydrophobicContact CG1-CD2 4.34Å; I459-Y497 HydrophobicContact CG1-CE1 3.45Å; I459-Y497 VanDerWaalsContact CG1-CE1 3.45Å; I459-Y497 HydrophobicContact CG1-CE2 3.85Å; I459-Y497 HydrophobicContact CG1-CG 4.4Å; I459-Y497 HydrophobicContact CG2-CD2 4.46Å; F493-Y497 WeakPolarHBondContact O-CB 3.05Å; F493-Y497 PolarHBondContact O-N 3.46Å; G494-Y497 PolarHBondContact O-N 3.24Å; Y497-C500 PolarHBondContact O-N 2.91Å; Y497-S501 WeakPolarHBondContact O-CB 3.28Å; Y497-S501 PolarHBondContact O-N 3.39Å |
| 498 | A | 83.6 | Confident | 84.4 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 40% | 0.397 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G494 A495 S501 A502 | G494-A498 VanDerWaalsContact O-CB 3.26Å; G494-A498 WeakPolarHBondContact O-CB 3.43Å; G494-A498 PolarHBondContact O-N 3.23Å; A495-A498 PolarHBondContact O-N 3.05Å; A498-S501 PolarHBondContact O-N 3.49Å; A498-A502 PolarHBondContact O-N 2.75Å |
| 499 | L | 85.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 178.2 | -165.1 | 68.6 | 0 | 0 | 0 | 111.6 | I197 M264 I271 A495 S501 A502 Y503 | I197-L499 HydrophobicContact CD1-CD1 4.04Å; M264-L499 HydrophobicContact CE-CB 3.52Å; M264-L499 HydrophobicContact CE-CD1 3.76Å; M264-L499 HydrophobicContact CE-CG 4.12Å; I271-L499 HydrophobicContact CD1-CD2 4.15Å; I271-L499 HydrophobicContact CG2-CD2 3.36Å; A495-L499 WeakPolarHBondContact O-CB 3.2Å; A495-L499 PolarHBondContact O-N 3.06Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 3.39Å; L499-A502 PolarHBondContact O-N 2.82Å; L499-Y503 HydrophobicContact CB-CE2 4.48Å; L499-Y503 HydrophobicContact CD1-CE2 3.98Å; L499-Y503 HydrophobicContact CD2-CE2 3.52Å; L499-Y503 HydrophobicContact CG-CD2 3.97Å; L499-Y503 HydrophobicContact CG-CE2 3.33Å; L499-Y503 WeakPolarHBondContact O-CD2 3.26Å; L499-Y503 PolarHBondContact O-N 2.89Å |
| 500 | C | 87.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 176.9 | -162.7 | 0 | 0 | 0 | 0 | 110.7 | F275 T496 Y497 A502 Y503 M504 Q555 V558 | F275-C500 HydrophobicContact CE2-CB 4.49Å; F275-C500 HydrophobicContact CZ-CB 3.98Å; T496-C500 VanDerWaalsContact O-CB 3.3Å; T496-C500 WeakPolarHBondContact O-CB 3.45Å; T496-C500 PolarHBondContact O-N 3.2Å; Y497-C500 PolarHBondContact O-N 2.91Å; C500-A502 VanDerWaalsContact C-N 3.32Å; C500-A502 PolarHBondContact O-N 3.05Å; C500-Y503 PolarHBondContact O-N 3.32Å; C500-M504 VanDerWaalsContact O-CG 3.24Å; C500-M504 WeakPolarHBondContact O-CG 3.27Å; C500-M504 PolarHBondContact O-N 3.42Å; C500-Q555 PolarHBondContact SG-OE1 2.84Å; C500-V558 HydrophobicContact CB-CG1 4.12Å |
| 501 | S | 82.2 | Confident | 84.1 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | Y497 A498 L499 M504 W505 | Y497-S501 WeakPolarHBondContact O-CB 3.28Å; Y497-S501 PolarHBondContact O-N 3.39Å; A498-S501 PolarHBondContact O-N 3.49Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 3.39Å; S501-M504 PolarHBondContact O-N 3.43Å; S501-W505 WeakPolarHBondContact O-CB 3.26Å; S501-W505 PolarHBondContact O-N 3.08Å |
| 502 | A | 81.3 | Confident | 84 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -46 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A498 L499 C500 M504 W505 I506 | A498-A502 PolarHBondContact O-N 2.75Å; L499-A502 PolarHBondContact O-N 2.82Å; C500-A502 VanDerWaalsContact C-N 3.32Å; C500-A502 PolarHBondContact O-N 3.05Å; A502-M504 PolarHBondContact O-N 3.24Å; A502-W505 WeakPolarHBondContact O-CB 3.48Å; A502-W505 PolarHBondContact O-N 3.44Å; A502-W505 VanDerWaalsContact O-N 3.15Å; A502-I506 WeakPolarHBondContact O-CG1 3.48Å; A502-I506 PolarHBondContact O-N 2.9Å |
| 503 | Y | 82.1 | Confident | 83.9 | Confident | 60 Ų | 60 | 42.5 Ų | 42.5 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.3 | -69.6 | -49.8 | 0 | 0 | 0 | 112.8 | T193 F275 L499 C500 W505 I506 G507 | T193-Y503 HydrophobicContact CG2-CE1 3.31Å; T193-Y503 WeakPolarHBondContact CG2-OH 3.49Å; F275-Y503 AromaticContact CE1-CD2 3.57Å; F275-Y503 HydrophobicContact CE1-CD2 3.57Å; F275-Y503 AromaticContact CE1-CE2 3.63Å; F275-Y503 HydrophobicContact CE1-CE2 3.63Å; F275-Y503 AromaticContact CZ-CD2 3.86Å; F275-Y503 HydrophobicContact CZ-CD2 3.86Å; F275-Y503 AromaticContact CZ-CE2 3.94Å; F275-Y503 HydrophobicContact CZ-CE2 3.94Å; L499-Y503 HydrophobicContact CB-CE2 4.48Å; L499-Y503 HydrophobicContact CD1-CE2 3.98Å; L499-Y503 HydrophobicContact CD2-CE2 3.52Å; L499-Y503 HydrophobicContact CG-CD2 3.97Å; L499-Y503 HydrophobicContact CG-CE2 3.33Å; L499-Y503 WeakPolarHBondContact O-CD2 3.26Å; L499-Y503 PolarHBondContact O-N 2.89Å; C500-Y503 PolarHBondContact O-N 3.32Å; Y503-W505 PolarHBondContact O-N 2.91Å; Y503-I506 PolarHBondContact O-N 3.45Å; Y503-G507 PolarHBondContact O-N 3.44Å |
| 504 | M | 83 | Confident | 83.6 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.1 | -32.4 | 177.7 | -61.7 | -47.8 | 105.2 | 0 | 0 | 111 | C500 S501 A502 K508 F551 F554 | C500-M504 VanDerWaalsContact O-CG 3.24Å; C500-M504 WeakPolarHBondContact O-CG 3.27Å; C500-M504 PolarHBondContact O-N 3.42Å; S501-M504 PolarHBondContact O-N 3.43Å; A502-M504 PolarHBondContact O-N 3.24Å; M504-K508 WeakPolarHBondContact O-CD 3.32Å; M504-K508 WeakPolarHBondContact O-CE 3.41Å; M504-K508 WeakPolarHBondContact O-CG 3.25Å; M504-K508 PolarHBondContact O-N 3.26Å; M504-F551 HydrophobicContact CB-CB 3.97Å; M504-F551 HydrophobicContact CB-CG 4.26Å; M504-F551 HydrophobicContact CE-CD1 4.24Å; M504-F551 HydrophobicContact CG-CB 3.97Å; M504-F551 HydrophobicContact CG-CD1 4.49Å; M504-F551 HydrophobicContact CG-CG 4.46Å; M504-F551 HydrophobicContact SD-CB 3.44Å; M504-F551 WeakPolarHBondContact SD-CB 3.13Å; M504-F551 HydrophobicContact SD-CD1 3.25Å; M504-F551 WeakPolarHBondContact SD-CD1 3.01Å; M504-F551 HydrophobicContact SD-CE1 4.27Å; M504-F551 HydrophobicContact SD-CG 3.66Å; M504-F551 VanDerWaalsContact SD-O 3.36Å; M504-F554 HydrophobicContact CE-CB 4.43Å; M504-F554 HydrophobicContact CE-CD1 3.29Å; M504-F554 HydrophobicContact CE-CE1 3.83Å; M504-F554 HydrophobicContact CE-CG 4.16Å; M504-F554 HydrophobicContact SD-CB 4.2Å; M504-F554 HydrophobicContact SD-CD1 4.08Å |
| 505 | W | 82 | Confident | 83.7 | Confident | 151 Ų | 151 | 46.2 Ų | 46.2 | 57% | 0.572 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -70.9 | -48.1 | 176 | -178.6 | 83.8 | 0 | 0 | 0 | 112.2 | S501 A502 Y503 G507 K508 V509 | S501-W505 WeakPolarHBondContact O-CB 3.26Å; S501-W505 PolarHBondContact O-N 3.08Å; A502-W505 WeakPolarHBondContact O-CB 3.48Å; A502-W505 PolarHBondContact O-N 3.44Å; A502-W505 VanDerWaalsContact O-N 3.15Å; Y503-W505 PolarHBondContact O-N 2.91Å; W505-G507 VanDerWaalsContact C-N 3.29Å; W505-G507 PolarHBondContact O-N 2.8Å; W505-K508 PolarHBondContact O-N 2.88Å; W505-K508 VanDerWaalsContact O-N 3.14Å; W505-V509 HydrophobicContact CD2-CG2 4.19Å; W505-V509 HydrophobicContact CH2-CG2 4.31Å; W505-V509 HydrophobicContact CZ2-CG2 3.95Å; W505-V509 WeakPolarHBondContact O-CG2 3.5Å; W505-V509 PolarHBondContact O-N 3.09Å |
| 506 | I | 81 | Confident | 83.5 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 34% | 0.338 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56 | -46.9 | 175.8 | -66.2 | 167.7 | 0 | 0 | 0 | 110.1 | A502 Y503 K508 V509 I510 | A502-I506 WeakPolarHBondContact O-CG1 3.48Å; A502-I506 PolarHBondContact O-N 2.9Å; Y503-I506 PolarHBondContact O-N 3.45Å; I506-K508 VanDerWaalsContact C-N 3.35Å; I506-K508 PolarHBondContact O-N 3.08Å; I506-V509 PolarHBondContact O-N 2.95Å; I506-I510 HydrophobicContact CG2-CD1 3.71Å; I506-I510 HydrophobicContact CG2-CG1 4.4Å; I506-I510 WeakPolarHBondContact O-CG1 3.37Å; I506-I510 PolarHBondContact O-N 3.46Å |
| 507 | G | 80.8 | Confident | 83.2 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y503 W505 I511 | Y503-G507 PolarHBondContact O-N 3.44Å; W505-G507 VanDerWaalsContact C-N 3.29Å; W505-G507 PolarHBondContact O-N 2.8Å; G507-I511 VanDerWaalsContact O-CG1 3.27Å; G507-I511 WeakPolarHBondContact O-CG1 3.43Å; G507-I511 PolarHBondContact O-N 3.44Å |
| 508 | K | 81.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 176.8 | -70.4 | 169.1 | -154.3 | -168.4 | 0 | 112.3 | M504 W505 I506 S512 Y544 F551 | M504-K508 WeakPolarHBondContact O-CD 3.32Å; M504-K508 WeakPolarHBondContact O-CE 3.41Å; M504-K508 WeakPolarHBondContact O-CG 3.25Å; M504-K508 PolarHBondContact O-N 3.26Å; W505-K508 PolarHBondContact O-N 2.88Å; W505-K508 VanDerWaalsContact O-N 3.14Å; I506-K508 VanDerWaalsContact C-N 3.35Å; I506-K508 PolarHBondContact O-N 3.08Å; K508-S512 VanDerWaalsContact O-CB 3.24Å; K508-S512 WeakPolarHBondContact O-CB 3.42Å; K508-S512 PolarHBondContact O-N 3.32Å; K508-Y544 HydrophobicContact CB-CD2 3.82Å; K508-Y544 HydrophobicContact CB-CE2 3.66Å; K508-Y544 HydrophobicContact CD-CE2 4.42Å; K508-F551 HydrophobicContact CG-CD2 3.66Å; K508-F551 HydrophobicContact CG-CE2 4.04Å |
| 509 | V | 81.9 | Confident | 83.1 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -46 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | W505 I506 S512 I513 | W505-V509 HydrophobicContact CD2-CG2 4.19Å; W505-V509 HydrophobicContact CH2-CG2 4.31Å; W505-V509 HydrophobicContact CZ2-CG2 3.95Å; W505-V509 WeakPolarHBondContact O-CG2 3.5Å; W505-V509 PolarHBondContact O-N 3.09Å; I506-V509 PolarHBondContact O-N 2.95Å; V509-S512 PolarHBondContact O-N 3.49Å; V509-I513 HydrophobicContact CG1-CD1 3.57Å; V509-I513 HydrophobicContact CG1-CG1 4.3Å; V509-I513 WeakPolarHBondContact O-CG1 3.47Å; V509-I513 PolarHBondContact O-N 2.92Å |
| 510 | I | 82.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 30% | 0.297 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.4 | -53.1 | 176.7 | -72.4 | 170.5 | 0 | 0 | 0 | 111.2 | Y182 I506 S512 I513 T514 | Y182-I510 WeakPolarHBondContact OH-CG2 3.44Å; I506-I510 HydrophobicContact CG2-CD1 3.71Å; I506-I510 HydrophobicContact CG2-CG1 4.4Å; I506-I510 WeakPolarHBondContact O-CG1 3.37Å; I506-I510 PolarHBondContact O-N 3.46Å; I510-S512 VanDerWaalsContact C-N 3.25Å; I510-S512 PolarHBondContact O-N 3.29Å; I510-I513 PolarHBondContact O-N 2.75Å; I510-T514 WeakPolarHBondContact O-CB 3.41Å; I510-T514 PolarHBondContact O-N 3.19Å; I510-T514 PolarHBondContact O-OG1 3.38Å |
| 511 | I | 84.9 | Confident | 82.6 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 30% | 0.303 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 179.9 | -68.6 | 172.7 | 0 | 0 | 0 | 110.9 | G507 N515 F551 | G507-I511 VanDerWaalsContact O-CG1 3.27Å; G507-I511 WeakPolarHBondContact O-CG1 3.43Å; G507-I511 PolarHBondContact O-N 3.44Å; I511-N515 WeakPolarHBondContact CG2-ND2 3.25Å; I511-N515 WeakPolarHBondContact O-CB 3.4Å; I511-N515 PolarHBondContact O-N 3.44Å; I511-N515 VanDerWaalsContact O-N 3.15Å; I511-N515 PolarHBondContact O-ND2 3.43Å; I511-F551 HydrophobicContact CD1-CE2 3.66Å; I511-F551 HydrophobicContact CD1-CZ 3.98Å |
| 512 | S | 83.7 | Confident | 82.7 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -47.5 | -179 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | K508 V509 I510 A516 G540 | K508-S512 VanDerWaalsContact O-CB 3.24Å; K508-S512 WeakPolarHBondContact O-CB 3.42Å; K508-S512 PolarHBondContact O-N 3.32Å; V509-S512 PolarHBondContact O-N 3.49Å; I510-S512 VanDerWaalsContact C-N 3.25Å; I510-S512 PolarHBondContact O-N 3.29Å; S512-A516 VanDerWaalsContact O-CB 3.23Å; S512-A516 WeakPolarHBondContact O-CB 3.36Å; S512-A516 PolarHBondContact O-N 2.9Å; S512-G540 PolarHBondContact OG-O 2.82Å |
| 513 | I | 83.6 | Confident | 82.8 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 56% | 0.564 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | -179.8 | -68.1 | 173.1 | 0 | 0 | 0 | 110.7 | V509 I510 N515 A516 F517 | V509-I513 HydrophobicContact CG1-CD1 3.57Å; V509-I513 HydrophobicContact CG1-CG1 4.3Å; V509-I513 WeakPolarHBondContact O-CG1 3.47Å; V509-I513 PolarHBondContact O-N 2.92Å; I510-I513 PolarHBondContact O-N 2.75Å; I513-N515 PolarHBondContact O-N 2.82Å; I513-A516 PolarHBondContact O-N 3.42Å; I513-F517 WeakPolarHBondContact O-CB 3.11Å; I513-F517 PolarHBondContact O-N 2.93Å |
| 514 | T | 83.1 | Confident | 82.6 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | -179.6 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I510 F517 I518 | I510-T514 WeakPolarHBondContact O-CB 3.41Å; I510-T514 PolarHBondContact O-N 3.19Å; I510-T514 PolarHBondContact O-OG1 3.38Å; T514-F517 PolarHBondContact O-N 3.49Å; T514-I518 HydrophobicContact CG2-CD1 4.09Å; T514-I518 WeakPolarHBondContact O-CG1 3.41Å; T514-I518 PolarHBondContact O-N 3.14Å |
| 515 | N | 87.3 | Confident | 82.4 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 177.8 | -76 | -60.1 | 0 | 0 | 0 | 113 | I511 I513 F517 I518 A519 V539 T543 | I511-N515 WeakPolarHBondContact CG2-ND2 3.25Å; I511-N515 WeakPolarHBondContact O-CB 3.4Å; I511-N515 PolarHBondContact O-N 3.44Å; I511-N515 VanDerWaalsContact O-N 3.15Å; I511-N515 PolarHBondContact O-ND2 3.43Å; I513-N515 PolarHBondContact O-N 2.82Å; N515-F517 VanDerWaalsContact C-N 3.32Å; N515-I518 PolarHBondContact O-N 3.39Å; N515-A519 VanDerWaalsContact O-CB 3.22Å; N515-A519 WeakPolarHBondContact O-CB 3.31Å; N515-A519 PolarHBondContact O-N 3Å; N515-V539 HydrophobicContact CB-CG1 4.37Å; N515-T543 HydrophobicContact CB-CG2 3.75Å |
| 516 | A | 82.5 | Confident | 82.1 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S512 I513 A519 S520 T536 | S512-A516 VanDerWaalsContact O-CB 3.23Å; S512-A516 WeakPolarHBondContact O-CB 3.36Å; S512-A516 PolarHBondContact O-N 2.9Å; I513-A516 PolarHBondContact O-N 3.42Å; A516-A519 PolarHBondContact O-N 2.82Å; A516-S520 WeakPolarHBondContact O-CB 3.18Å; A516-S520 PolarHBondContact O-N 2.9Å; A516-T536 HydrophobicContact CB-CG2 4.18Å; A516-T536 VanDerWaalsContact O-CG2 3.3Å; A516-T536 WeakPolarHBondContact O-CG2 3.26Å |
| 517 | F | 81.3 | Confident | 81.9 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 175.5 | -177 | -96.6 | 0 | 0 | 0 | 111.6 | T176 I513 T514 N515 A519 S520 A521 | T176-F517 HydrophobicContact CG2-CE2 3.78Å; I513-F517 WeakPolarHBondContact O-CB 3.11Å; I513-F517 PolarHBondContact O-N 2.93Å; T514-F517 PolarHBondContact O-N 3.49Å; N515-F517 VanDerWaalsContact C-N 3.32Å; F517-A519 VanDerWaalsContact C-N 3.33Å; F517-A519 PolarHBondContact O-N 3.5Å; F517-S520 PolarHBondContact O-N 3.33Å; F517-S520 PolarHBondContact O-OG 2.86Å; F517-A521 PolarHBondContact O-N 2.98Å |
| 518 | I | 83.6 | Confident | 81.7 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 177 | -65.5 | 165.6 | 0 | 0 | 0 | 110.6 | T514 N515 S520 A521 I522 | T514-I518 HydrophobicContact CG2-CD1 4.09Å; T514-I518 WeakPolarHBondContact O-CG1 3.41Å; T514-I518 PolarHBondContact O-N 3.14Å; N515-I518 PolarHBondContact O-N 3.39Å; I518-S520 VanDerWaalsContact C-N 3.34Å; I518-S520 PolarHBondContact O-N 2.86Å; I518-A521 PolarHBondContact O-N 3.43Å; I518-I522 HydrophobicContact CG2-CD1 3.9Å; I518-I522 WeakPolarHBondContact O-CG1 3.02Å; I518-I522 PolarHBondContact O-N 3.45Å; I518-I522 VanDerWaalsContact O-N 3.12Å |
| 519 | A | 83.5 | Confident | 81.2 | Confident | 9 Ų | 9 | 76.9 Ų | 76.9 | 7% | 0.074 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N515 A516 F517 A521 I522 F523 V539 | N515-A519 VanDerWaalsContact O-CB 3.22Å; N515-A519 WeakPolarHBondContact O-CB 3.31Å; N515-A519 PolarHBondContact O-N 3Å; A516-A519 PolarHBondContact O-N 2.82Å; F517-A519 VanDerWaalsContact C-N 3.33Å; F517-A519 PolarHBondContact O-N 3.5Å; A519-A521 VanDerWaalsContact C-N 3.31Å; A519-A521 PolarHBondContact O-N 2.92Å; A519-I522 PolarHBondContact O-N 3.16Å; A519-F523 HydrophobicContact CB-CD2 4.19Å; A519-F523 HydrophobicContact CB-CE2 3.79Å; A519-F523 WeakPolarHBondContact O-CB 3.41Å; A519-F523 WeakPolarHBondContact O-CD2 3.04Å; A519-F523 VanDerWaalsContact O-CG 3.29Å; A519-F523 WeakPolarHBondContact O-CG 3.41Å; A519-F523 PolarHBondContact O-N 2.96Å; A519-V539 HydrophobicContact CB-CB 4.06Å; A519-V539 HydrophobicContact CB-CG1 3.9Å; A519-V539 HydrophobicContact CB-CG2 4.16Å |
| 520 | S | 81.5 | Confident | 80.3 | Confident | 25 Ų | 25 | 81.9 Ų | 81.9 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 177 | 77.8 | 0 | 0 | 0 | 0 | 112.4 | A516 F517 I518 K524 | A516-S520 WeakPolarHBondContact O-CB 3.18Å; A516-S520 PolarHBondContact O-N 2.9Å; F517-S520 PolarHBondContact O-N 3.33Å; F517-S520 PolarHBondContact O-OG 2.86Å; I518-S520 VanDerWaalsContact C-N 3.34Å; I518-S520 PolarHBondContact O-N 2.86Å; S520-K524 WeakPolarHBondContact O-CB 3.06Å; S520-K524 PolarHBondContact O-N 3.01Å; S520-K524 VanDerWaalsContact O-N 3.13Å |
| 521 | A | 81.4 | Confident | 80 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 45% | 0.446 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F517 I518 A519 | F517-A521 PolarHBondContact O-N 2.98Å; I518-A521 PolarHBondContact O-N 3.43Å; A519-A521 VanDerWaalsContact C-N 3.31Å; A519-A521 PolarHBondContact O-N 2.92Å |
| 522 | I | 84.5 | Confident | 79.6 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.7 | -46.8 | 178 | -63.5 | 166.8 | 0 | 0 | 0 | 111.7 | I518 A519 K524 T525 | I518-I522 HydrophobicContact CG2-CD1 3.9Å; I518-I522 WeakPolarHBondContact O-CG1 3.02Å; I518-I522 PolarHBondContact O-N 3.45Å; I518-I522 VanDerWaalsContact O-N 3.12Å; A519-I522 PolarHBondContact O-N 3.16Å; I522-K524 VanDerWaalsContact C-N 3.27Å; I522-K524 PolarHBondContact O-N 2.78Å; I522-T525 PolarHBondContact O-N 3.46Å; I522-T525 PolarHBondContact O-OG1 2.89Å |
| 523 | F | 82.2 | Confident | 79.2 | Confident | 49 Ų | 49 | 85.3 Ų | 85.3 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.5 | -22.9 | -176.9 | -62.7 | -40.8 | 0 | 0 | 0 | 113.2 | A519 T525 D526 I529 P535 V539 | A519-F523 HydrophobicContact CB-CD2 4.19Å; A519-F523 HydrophobicContact CB-CE2 3.79Å; A519-F523 WeakPolarHBondContact O-CB 3.41Å; A519-F523 WeakPolarHBondContact O-CD2 3.04Å; A519-F523 VanDerWaalsContact O-CG 3.29Å; A519-F523 WeakPolarHBondContact O-CG 3.41Å; A519-F523 PolarHBondContact O-N 2.96Å; F523-T525 VanDerWaalsContact C-N 3.29Å; F523-D526 PolarHBondContact O-N 2.85Å; F523-I529 HydrophobicContact CB-CD1 4.04Å; F523-I529 HydrophobicContact CD1-CD1 3.69Å; F523-I529 HydrophobicContact CG-CD1 4.2Å; F523-P535 HydrophobicContact CD2-CB 3.98Å; F523-P535 HydrophobicContact CD2-CG 3.8Å; F523-P535 HydrophobicContact CE2-CB 3.62Å; F523-P535 HydrophobicContact CE2-CG 3.99Å; F523-P535 HydrophobicContact CG-CG 4.17Å; F523-P535 HydrophobicContact CZ-CB 3.93Å; F523-V539 HydrophobicContact CE2-CG2 4.13Å; F523-V539 HydrophobicContact CZ-CG2 4.24Å |
| 524 | K | 77.9 | Confident | 78.6 | Confident | 155 Ų | 155 | 84.3 Ų | 84.3 | 67% | 0.674 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -72.9 | -22.6 | 176.3 | -171.1 | 175.5 | 179.1 | -175.2 | 0 | 112.7 | S520 I522 D526 | S520-K524 WeakPolarHBondContact O-CB 3.06Å; S520-K524 PolarHBondContact O-N 3.01Å; S520-K524 VanDerWaalsContact O-N 3.13Å; I522-K524 VanDerWaalsContact C-N 3.27Å; I522-K524 PolarHBondContact O-N 2.78Å; K524-D526 VanDerWaalsContact C-N 3.28Å |
| 525 | T | 79.3 | Confident | 78.6 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 72% | 0.718 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.4 | 176.7 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | I522 F523 | I522-T525 PolarHBondContact O-N 3.46Å; I522-T525 PolarHBondContact O-OG1 2.89Å; F523-T525 VanDerWaalsContact C-N 3.29Å |
| 526 | D | 76.8 | Confident | 78.2 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 38% | 0.38 | 43% | 0.427 | S | S | . | . | trans | -99.7 | 110 | -177.7 | -170.2 | -21.1 | 0 | 0 | 0 | 111.2 | F523 K524 E528 I529 | F523-D526 PolarHBondContact O-N 2.85Å; K524-D526 VanDerWaalsContact C-N 3.28Å; D526-E528 PolarHBondContact O-N 3.11Å; D526-E528 WeakPolarHBondContact OD1-CB 3.31Å; D526-E528 PolarHBondContact OD1-N 2.89Å; D526-I529 HydrophobicContact CB-CD1 3.79Å; D526-I529 HydrophobicContact CB-CG1 3.91Å; D526-I529 PolarHBondContact O-N 2.84Å | ||
| 527 | E | 77.3 | Confident | 78.1 | Confident | 196 Ų | 196 | 85.4 Ų | 85.4 | 92% | 0.916 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.7 | 179.7 | -64.8 | -169.1 | 172.3 | 0 | 0 | 113.5 | I529 | E527-I529 VanDerWaalsContact C-N 3.28Å; E527-I529 PolarHBondContact O-N 2.82Å |
| 528 | E | 75.5 | Confident | 78 | Confident | 170 Ų | 170 | 83 Ų | 83 | 79% | 0.794 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.9 | 177 | -59.1 | -163.7 | 161.4 | 0 | 0 | 112 | D526 N530 | D526-E528 PolarHBondContact O-N 3.11Å; D526-E528 WeakPolarHBondContact OD1-CB 3.31Å; D526-E528 PolarHBondContact OD1-N 2.89Å; E528-N530 PolarHBondContact O-N 3.15Å; E528-N530 VanDerWaalsContact O-N 3.09Å |
| 529 | I | 70.9 | Confident | 78.1 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | trans | -82.4 | 90 | -178.8 | -54.5 | -179.2 | 0 | 0 | 0 | 110.3 | F523 D526 E527 N531 P535 | F523-I529 HydrophobicContact CB-CD1 4.04Å; F523-I529 HydrophobicContact CD1-CD1 3.69Å; F523-I529 HydrophobicContact CG-CD1 4.2Å; D526-I529 HydrophobicContact CB-CD1 3.79Å; D526-I529 HydrophobicContact CB-CG1 3.91Å; D526-I529 PolarHBondContact O-N 2.84Å; E527-I529 VanDerWaalsContact C-N 3.28Å; E527-I529 PolarHBondContact O-N 2.82Å; I529-N531 PolarHBondContact O-N 3.44Å; I529-P535 HydrophobicContact CG2-CG 4.35Å | ||
| 530 | N | 63.6 | Low | 78 | Confident | 147 Ų | 147 | 81 Ų | 81 | 79% | 0.786 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -55.3 | -26.2 | 179 | -74.9 | -49.9 | 0 | 0 | 0 | 115 | E528 | E528-N530 PolarHBondContact O-N 3.15Å; E528-N530 VanDerWaalsContact O-N 3.09Å |
| 531 | N | 75.4 | Confident | 78 | Confident | 79 Ų | 79 | 85.2 Ų | 85.2 | 42% | 0.422 | 46% | 0.455 | S | S | . | . | trans | -145.6 | 93.6 | 176.1 | -179.2 | 3 | 0 | 0 | 0 | 110.4 | I529 I533 T534 P535 | I529-N531 PolarHBondContact O-N 3.44Å; N531-I533 PolarHBondContact O-N 3.32Å; N531-I533 VanDerWaalsContact OD1-CB 3.26Å; N531-I533 WeakPolarHBondContact OD1-CB 3.38Å; N531-I533 PolarHBondContact OD1-N 2.89Å; N531-T534 PolarHBondContact ND2-OG1 3.19Å; N531-T534 VanDerWaalsContact ND2-OG1 3.08Å; N531-P535 WeakPolarHBondContact O-CD 3.42Å | ||
| 532 | Y | 77 | Confident | 77.9 | Confident | 67 Ų | 67 | 85.1 Ų | 85.1 | 26% | 0.263 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -68.3 | -17.3 | 178.6 | 72.3 | -90.3 | 0 | 0 | 0 | 113.6 | P535 T536 | Y532-P535 WeakPolarHBondContact O-CD 3.1Å; Y532-P535 WeakPolarHBondContact O-CG 3.32Å; Y532-T536 WeakPolarHBondContact O-CB 3.33Å; Y532-T536 PolarHBondContact O-N 2.9Å; Y532-T536 PolarHBondContact O-OG1 2.93Å |
| 533 | I | 75.1 | Confident | 78 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 32% | 0.323 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | -178 | -56.9 | 173.9 | 0 | 0 | 0 | 110.4 | N531 T536 I537 | N531-I533 PolarHBondContact O-N 3.32Å; N531-I533 VanDerWaalsContact OD1-CB 3.26Å; N531-I533 WeakPolarHBondContact OD1-CB 3.38Å; N531-I533 PolarHBondContact OD1-N 2.89Å; I533-T536 WeakPolarHBondContact O-CB 3.01Å; I533-T536 PolarHBondContact O-N 3.33Å; I533-I537 HydrophobicContact CG2-CD1 3.7Å; I533-I537 HydrophobicContact CG2-CG1 4.17Å; I533-I537 WeakPolarHBondContact O-CG1 3.2Å; I533-I537 PolarHBondContact O-N 3.31Å |
| 534 | T | 71.8 | Confident | 78 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.4 | -54.4 | -180 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | N531 T536 I537 A538 | N531-T534 PolarHBondContact ND2-OG1 3.19Å; N531-T534 VanDerWaalsContact ND2-OG1 3.08Å; T534-T536 VanDerWaalsContact C-N 3.3Å; T534-T536 PolarHBondContact O-N 3.24Å; T534-I537 PolarHBondContact O-N 2.92Å; T534-A538 PolarHBondContact O-N 2.76Å; T534-A538 VanDerWaalsContact O-N 3.08Å |
| 535 | P | 82.5 | Confident | 78 | Confident | 40 Ų | 40 | 80.7 Ų | 80.7 | 26% | 0.26 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 176.8 | 28 | -35.1 | 0 | 0 | 0 | 112.1 | F523 I529 N531 Y532 A538 V539 | F523-P535 HydrophobicContact CD2-CB 3.98Å; F523-P535 HydrophobicContact CD2-CG 3.8Å; F523-P535 HydrophobicContact CE2-CB 3.62Å; F523-P535 HydrophobicContact CE2-CG 3.99Å; F523-P535 HydrophobicContact CG-CG 4.17Å; F523-P535 HydrophobicContact CZ-CB 3.93Å; I529-P535 HydrophobicContact CG2-CG 4.35Å; N531-P535 WeakPolarHBondContact O-CD 3.42Å; Y532-P535 WeakPolarHBondContact O-CD 3.1Å; Y532-P535 WeakPolarHBondContact O-CG 3.32Å; P535-A538 WeakPolarHBondContact O-CB 3.28Å; P535-A538 PolarHBondContact O-N 2.98Å; P535-V539 WeakPolarHBondContact O-CG2 3.34Å; P535-V539 PolarHBondContact O-N 3.15Å |
| 536 | T | 79.1 | Confident | 78.1 | Confident | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 173.8 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | A516 Y532 I533 T534 A538 V539 G540 | A516-T536 HydrophobicContact CB-CG2 4.18Å; A516-T536 VanDerWaalsContact O-CG2 3.3Å; A516-T536 WeakPolarHBondContact O-CG2 3.26Å; Y532-T536 WeakPolarHBondContact O-CB 3.33Å; Y532-T536 PolarHBondContact O-N 2.9Å; Y532-T536 PolarHBondContact O-OG1 2.93Å; I533-T536 WeakPolarHBondContact O-CB 3.01Å; I533-T536 PolarHBondContact O-N 3.33Å; T534-T536 VanDerWaalsContact C-N 3.3Å; T534-T536 PolarHBondContact O-N 3.24Å; T536-A538 VanDerWaalsContact C-N 3.28Å; T536-A538 PolarHBondContact O-N 3.3Å; T536-V539 PolarHBondContact O-N 3.47Å; T536-G540 PolarHBondContact O-N 3.32Å |
| 537 | I | 80.9 | Confident | 78.3 | Confident | 100 Ų | 100 | 75.9 Ų | 75.9 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.4 | -68.8 | 171.7 | 0 | 0 | 0 | 110.2 | I533 T534 V539 G540 L541 | I533-I537 HydrophobicContact CG2-CD1 3.7Å; I533-I537 HydrophobicContact CG2-CG1 4.17Å; I533-I537 WeakPolarHBondContact O-CG1 3.2Å; I533-I537 PolarHBondContact O-N 3.31Å; T534-I537 PolarHBondContact O-N 2.92Å; I537-V539 PolarHBondContact O-N 2.85Å; I537-G540 PolarHBondContact O-N 2.95Å; I537-L541 HydrophobicContact CG2-CD1 3.95Å; I537-L541 HydrophobicContact CG2-CG 4.32Å; I537-L541 WeakPolarHBondContact O-CG 3.31Å; I537-L541 PolarHBondContact O-N 3.19Å |
| 538 | A | 79.3 | Confident | 78.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T534 P535 T536 L541 A542 | T534-A538 PolarHBondContact O-N 2.76Å; T534-A538 VanDerWaalsContact O-N 3.08Å; P535-A538 WeakPolarHBondContact O-CB 3.28Å; P535-A538 PolarHBondContact O-N 2.98Å; T536-A538 VanDerWaalsContact C-N 3.28Å; T536-A538 PolarHBondContact O-N 3.3Å; A538-L541 PolarHBondContact O-N 3.03Å; A538-A542 VanDerWaalsContact O-CB 3.31Å; A538-A542 WeakPolarHBondContact O-CB 3.13Å; A538-A542 PolarHBondContact O-N 2.96Å |
| 539 | V | 84.9 | Confident | 78.7 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | N515 A519 F523 P535 T536 I537 L541 A542 T543 | N515-V539 HydrophobicContact CB-CG1 4.37Å; A519-V539 HydrophobicContact CB-CB 4.06Å; A519-V539 HydrophobicContact CB-CG1 3.9Å; A519-V539 HydrophobicContact CB-CG2 4.16Å; F523-V539 HydrophobicContact CE2-CG2 4.13Å; F523-V539 HydrophobicContact CZ-CG2 4.24Å; P535-V539 WeakPolarHBondContact O-CG2 3.34Å; P535-V539 PolarHBondContact O-N 3.15Å; T536-V539 PolarHBondContact O-N 3.47Å; I537-V539 PolarHBondContact O-N 2.85Å; V539-L541 PolarHBondContact O-N 3.44Å; V539-A542 PolarHBondContact O-N 3.28Å; V539-T543 HydrophobicContact CG1-CG2 4.23Å; V539-T543 WeakPolarHBondContact O-CB 3.38Å; V539-T543 WeakPolarHBondContact O-CG2 3.2Å; V539-T543 PolarHBondContact O-N 3.23Å; V539-T543 PolarHBondContact O-OG1 3.45Å |
| 540 | G | 81.8 | Confident | 79.3 | Confident | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S512 T536 I537 T543 Y544 | S512-G540 PolarHBondContact OG-O 2.82Å; T536-G540 PolarHBondContact O-N 3.32Å; I537-G540 PolarHBondContact O-N 2.95Å; G540-T543 PolarHBondContact O-OG1 2.98Å; G540-T543 VanDerWaalsContact O-OG1 3.05Å; G540-Y544 WeakPolarHBondContact O-CB 3.48Å; G540-Y544 PolarHBondContact O-N 3.21Å; G540-Y544 VanDerWaalsContact O-N 3.09Å |
| 541 | L | 80.8 | Confident | 80.4 | Confident | 113 Ų | 113 | 57.3 Ų | 57.3 | 59% | 0.592 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67 | -43.7 | 176.3 | -69.4 | 173.9 | 0 | 0 | 0 | 112.3 | I537 A538 V539 Y544 V545 | I537-L541 HydrophobicContact CG2-CD1 3.95Å; I537-L541 HydrophobicContact CG2-CG 4.32Å; I537-L541 WeakPolarHBondContact O-CG 3.31Å; I537-L541 PolarHBondContact O-N 3.19Å; A538-L541 PolarHBondContact O-N 3.03Å; V539-L541 PolarHBondContact O-N 3.44Å; L541-Y544 PolarHBondContact O-N 3.28Å; L541-V545 WeakPolarHBondContact O-CG2 3.05Å; L541-V545 PolarHBondContact O-N 3.44Å; L541-V545 VanDerWaalsContact O-N 3.15Å |
| 542 | A | 80.4 | Confident | 80.8 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A538 V539 V545 L546 | A538-A542 VanDerWaalsContact O-CB 3.31Å; A538-A542 WeakPolarHBondContact O-CB 3.13Å; A538-A542 PolarHBondContact O-N 2.96Å; V539-A542 PolarHBondContact O-N 3.28Å; A542-V545 PolarHBondContact O-N 3.29Å; A542-L546 WeakPolarHBondContact O-CG 3.32Å; A542-L546 PolarHBondContact O-N 3.34Å |
| 543 | T | 86.2 | Confident | 81.4 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 178.9 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | N515 V539 G540 L546 G547 | N515-T543 HydrophobicContact CB-CG2 3.75Å; V539-T543 HydrophobicContact CG1-CG2 4.23Å; V539-T543 WeakPolarHBondContact O-CB 3.38Å; V539-T543 WeakPolarHBondContact O-CG2 3.2Å; V539-T543 PolarHBondContact O-N 3.23Å; V539-T543 PolarHBondContact O-OG1 3.45Å; G540-T543 PolarHBondContact O-OG1 2.98Å; G540-T543 VanDerWaalsContact O-OG1 3.05Å; T543-L546 PolarHBondContact O-N 2.77Å; T543-G547 PolarHBondContact O-N 3.02Å |
| 544 | Y | 81.9 | Confident | 82.1 | Confident | 92 Ų | 92 | 52 Ų | 52 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 170.9 | -176.2 | -90.2 | 0 | 0 | 0 | 112 | K508 G540 L541 G548 | K508-Y544 HydrophobicContact CB-CD2 3.82Å; K508-Y544 HydrophobicContact CB-CE2 3.66Å; K508-Y544 HydrophobicContact CD-CE2 4.42Å; G540-Y544 WeakPolarHBondContact O-CB 3.48Å; G540-Y544 PolarHBondContact O-N 3.21Å; G540-Y544 VanDerWaalsContact O-N 3.09Å; L541-Y544 PolarHBondContact O-N 3.28Å; Y544-G548 PolarHBondContact O-N 3.46Å |
| 545 | V | 77.7 | Confident | 82.9 | Confident | 99 Ų | 99 | 48.7 Ų | 48.7 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66 | -47 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L541 A542 G548 | L541-V545 WeakPolarHBondContact O-CG2 3.05Å; L541-V545 PolarHBondContact O-N 3.44Å; L541-V545 VanDerWaalsContact O-N 3.15Å; A542-V545 PolarHBondContact O-N 3.29Å; V545-G548 WeakPolarHBondContact O-CA 3.12Å; V545-G548 PolarHBondContact O-N 3.35Å; V545-G548 VanDerWaalsContact O-N 3.13Å |
| 546 | L | 80.7 | Confident | 83.4 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 179.5 | -72.1 | 173.2 | 0 | 0 | 0 | 112.4 | A542 T543 G548 V549 F550 | A542-L546 WeakPolarHBondContact O-CG 3.32Å; A542-L546 PolarHBondContact O-N 3.34Å; T543-L546 PolarHBondContact O-N 2.77Å; L546-G548 PolarHBondContact O-N 2.86Å; L546-V549 PolarHBondContact O-N 3.31Å; L546-F550 WeakPolarHBondContact O-CD2 3.28Å |
| 547 | G | 82.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57 | -34.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T543 V549 F550 F551 | T543-G547 PolarHBondContact O-N 3.02Å; G547-V549 VanDerWaalsContact C-N 3.32Å; G547-V549 PolarHBondContact O-N 3.14Å; G547-F550 PolarHBondContact O-N 3.14Å; G547-F551 WeakPolarHBondContact O-CD2 3.07Å; G547-F551 PolarHBondContact O-N 2.96Å |
| 548 | G | 80.7 | Confident | 84.6 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.7 | -44.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y544 V545 L546 N552 | Y544-G548 PolarHBondContact O-N 3.46Å; V545-G548 WeakPolarHBondContact O-CA 3.12Å; V545-G548 PolarHBondContact O-N 3.35Å; V545-G548 VanDerWaalsContact O-N 3.13Å; L546-G548 PolarHBondContact O-N 2.86Å; G548-N552 WeakPolarHBondContact O-CB 3.44Å; G548-N552 PolarHBondContact O-N 3.43Å; G548-N552 VanDerWaalsContact O-N 3.11Å; G548-N552 PolarHBondContact O-ND2 2.92Å; G548-N552 PolarHBondContact O-OD1 3.22Å |
| 549 | V | 79.8 | Confident | 85.3 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | -175.7 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | P292 S295 A296 L546 G547 | P292-V549 HydrophobicContact CB-CG1 3.77Å; P292-V549 WeakPolarHBondContact O-CG1 3.33Å; S295-V549 WeakPolarHBondContact OG-CG1 3.17Å; A296-V549 HydrophobicContact CB-CG1 4.34Å; L546-V549 PolarHBondContact O-N 3.31Å; G547-V549 VanDerWaalsContact C-N 3.32Å; G547-V549 PolarHBondContact O-N 3.14Å |
| 550 | F | 83.8 | Confident | 85.8 | Confident | 97 Ų | 97 | 37 Ų | 37 | 43% | 0.425 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.7 | -46.9 | 177.9 | -73.4 | -83.6 | 0 | 0 | 0 | 112.3 | P292 V293 L546 G547 N552 V553 | P292-F550 HydrophobicContact CB-CD1 4.08Å; P292-F550 HydrophobicContact CB-CE1 4.28Å; P292-F550 HydrophobicContact CB-CG 4.45Å; P292-F550 HydrophobicContact CG-CD1 3.69Å; P292-F550 HydrophobicContact CG-CE1 3.8Å; P292-F550 HydrophobicContact CG-CG 4.5Å; V293-F550 HydrophobicContact CG2-CE1 4.1Å; V293-F550 HydrophobicContact CG2-CZ 3.91Å; L546-F550 WeakPolarHBondContact O-CD2 3.28Å; G547-F550 PolarHBondContact O-N 3.14Å; F550-N552 PolarHBondContact O-N 3.32Å; F550-V553 WeakPolarHBondContact O-CB 3.37Å; F550-V553 PolarHBondContact O-N 2.85Å |
| 551 | F | 85.8 | Confident | 86.3 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 21% | 0.211 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -28.6 | 178.5 | -77.7 | -53.3 | 0 | 0 | 0 | 112.8 | M504 K508 I511 G547 V553 F554 Q555 | M504-F551 HydrophobicContact CB-CB 3.97Å; M504-F551 HydrophobicContact CB-CG 4.26Å; M504-F551 HydrophobicContact CE-CD1 4.24Å; M504-F551 HydrophobicContact CG-CB 3.97Å; M504-F551 HydrophobicContact CG-CD1 4.49Å; M504-F551 HydrophobicContact CG-CG 4.46Å; M504-F551 HydrophobicContact SD-CB 3.44Å; M504-F551 WeakPolarHBondContact SD-CB 3.13Å; M504-F551 HydrophobicContact SD-CD1 3.25Å; M504-F551 WeakPolarHBondContact SD-CD1 3.01Å; M504-F551 HydrophobicContact SD-CE1 4.27Å; M504-F551 HydrophobicContact SD-CG 3.66Å; M504-F551 VanDerWaalsContact SD-O 3.36Å; K508-F551 HydrophobicContact CG-CD2 3.66Å; K508-F551 HydrophobicContact CG-CE2 4.04Å; I511-F551 HydrophobicContact CD1-CE2 3.66Å; I511-F551 HydrophobicContact CD1-CZ 3.98Å; G547-F551 WeakPolarHBondContact O-CD2 3.07Å; G547-F551 PolarHBondContact O-N 2.96Å; F551-V553 PolarHBondContact O-N 3.2Å; F551-F554 PolarHBondContact O-N 3.31Å; F551-Q555 PolarHBondContact O-N 3.25Å |
| 552 | N | 84.7 | Confident | 86.9 | Confident | 56 Ų | 56 | 31.4 Ų | 31.4 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.8 | -28 | 173.5 | -74 | -11.7 | 0 | 0 | 0 | 113.5 | G548 F550 S556 | G548-N552 WeakPolarHBondContact O-CB 3.44Å; G548-N552 PolarHBondContact O-N 3.43Å; G548-N552 VanDerWaalsContact O-N 3.11Å; G548-N552 PolarHBondContact O-ND2 2.92Å; G548-N552 PolarHBondContact O-OD1 3.22Å; F550-N552 PolarHBondContact O-N 3.32Å; N552-S556 WeakPolarHBondContact O-CB 3.45Å; N552-S556 PolarHBondContact O-N 3.36Å; N552-S556 PolarHBondContact O-OG 2.97Å |
| 553 | V | 89 | Confident | 87.6 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -50.4 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | P292 Q365 I369 F550 F551 Q555 S556 I557 | P292-V553 HydrophobicContact CB-CG2 3.77Å; P292-V553 HydrophobicContact CG-CG2 3.65Å; Q365-V553 VanDerWaalsContact NE2-CG2 3.32Å; I369-V553 HydrophobicContact CD1-CB 4.19Å; I369-V553 HydrophobicContact CD1-CG1 3.89Å; I369-V553 HydrophobicContact CD1-CG2 4.18Å; F550-V553 WeakPolarHBondContact O-CB 3.37Å; F550-V553 PolarHBondContact O-N 2.85Å; F551-V553 PolarHBondContact O-N 3.2Å; V553-Q555 PolarHBondContact O-N 3.41Å; V553-S556 WeakPolarHBondContact O-CB 3.37Å; V553-S556 PolarHBondContact O-N 3.18Å; V553-S556 VanDerWaalsContact O-N 3.16Å; V553-I557 HydrophobicContact CG1-CD1 4.16Å; V553-I557 WeakPolarHBondContact O-CG1 3.49Å; V553-I557 PolarHBondContact O-N 2.88Å |
| 554 | F | 89.6 | Confident | 87.9 | Confident | 41 Ų | 41 | 27.9 Ų | 27.9 | 18% | 0.18 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 179.5 | -171.3 | -93.6 | 0 | 0 | 0 | 111.4 | F275 A278 M504 F551 S556 I557 V558 | F275-F554 HydrophobicContact CD1-CE1 4.16Å; F275-F554 HydrophobicContact CD1-CZ 4.03Å; F275-F554 AromaticContact CE1-CE1 3.92Å; F275-F554 HydrophobicContact CE1-CE1 3.92Å; F275-F554 HydrophobicContact CE1-CZ 4.26Å; F275-F554 HydrophobicContact CZ-CE1 4.47Å; A278-F554 HydrophobicContact CB-CE2 4.04Å; A278-F554 HydrophobicContact CB-CZ 4.21Å; M504-F554 HydrophobicContact CE-CB 4.43Å; M504-F554 HydrophobicContact CE-CD1 3.29Å; M504-F554 HydrophobicContact CE-CE1 3.83Å; M504-F554 HydrophobicContact CE-CG 4.16Å; M504-F554 HydrophobicContact SD-CB 4.2Å; M504-F554 HydrophobicContact SD-CD1 4.08Å; F551-F554 PolarHBondContact O-N 3.31Å; F554-S556 VanDerWaalsContact C-N 3.28Å; F554-S556 PolarHBondContact O-N 3.32Å; F554-I557 PolarHBondContact O-N 2.96Å; F554-V558 HydrophobicContact CD1-CG2 3.87Å; F554-V558 HydrophobicContact CE1-CG2 3.48Å; F554-V558 VanDerWaalsContact CE1-CG2 3.48Å; F554-V558 HydrophobicContact CE2-CG2 4.49Å; F554-V558 HydrophobicContact CZ-CG2 3.82Å; F554-V558 WeakPolarHBondContact O-CG2 3.47Å; F554-V558 PolarHBondContact O-N 2.68Å |
| 555 | Q | 89.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 25.5 Ų | 25.5 | 9% | 0.089 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56 | -42.6 | 173.4 | -176.5 | 67.9 | 44.6 | 0 | 0 | 111.9 | C500 F551 V553 S559 | C500-Q555 PolarHBondContact SG-OE1 2.84Å; F551-Q555 PolarHBondContact O-N 3.25Å; V553-Q555 PolarHBondContact O-N 3.41Å; Q555-S559 PolarHBondContact NE2-OG 2.83Å; Q555-S559 VanDerWaalsContact NE2-OG 3.16Å; Q555-S559 VanDerWaalsContact O-CB 3.27Å; Q555-S559 WeakPolarHBondContact O-CB 3.32Å; Q555-S559 PolarHBondContact O-N 2.85Å; Q555-S559 PolarHBondContact O-OG 2.75Å |
| 556 | S | 92.2 | Very high | 88.8 | Confident | 11 Ų | 11 | 20.8 Ų | 20.8 | 8% | 0.077 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66 | -42 | 179.5 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | N552 V553 F554 T560 | N552-S556 WeakPolarHBondContact O-CB 3.45Å; N552-S556 PolarHBondContact O-N 3.36Å; N552-S556 PolarHBondContact O-OG 2.97Å; V553-S556 WeakPolarHBondContact O-CB 3.37Å; V553-S556 PolarHBondContact O-N 3.18Å; V553-S556 VanDerWaalsContact O-N 3.16Å; F554-S556 VanDerWaalsContact C-N 3.28Å; F554-S556 PolarHBondContact O-N 3.32Å; S556-T560 WeakPolarHBondContact O-CB 3.5Å; S556-T560 PolarHBondContact O-N 2.88Å; S556-T560 PolarHBondContact O-OG1 2.79Å |
| 557 | I | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 175.9 | -64.1 | 169.8 | 0 | 0 | 0 | 110.4 | A278 T281 L282 L288 I369 V373 V553 F554 S559 T560 L561 | A278-I557 HydrophobicContact CB-CG2 3.81Å; T281-I557 HydrophobicContact CG2-CG2 4.23Å; L282-I557 HydrophobicContact CD1-CD1 3.83Å; L288-I557 HydrophobicContact CD1-CD1 4.35Å; I369-I557 HydrophobicContact CG2-CG1 3.55Å; V373-I557 HydrophobicContact CG2-CG1 4.12Å; V373-I557 HydrophobicContact CG2-CG2 4.33Å; V553-I557 HydrophobicContact CG1-CD1 4.16Å; V553-I557 WeakPolarHBondContact O-CG1 3.49Å; V553-I557 PolarHBondContact O-N 2.88Å; F554-I557 PolarHBondContact O-N 2.96Å; I557-S559 PolarHBondContact O-N 2.86Å; I557-T560 PolarHBondContact O-N 2.98Å; I557-L561 HydrophobicContact CG2-CD1 3.84Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.23Å; I557-L561 WeakPolarHBondContact O-CG 3.39Å; I557-L561 PolarHBondContact O-N 2.95Å |
| 558 | V | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | -179.2 | 168 | 0 | 0 | 0 | 0 | 111.2 | V274 F275 A278 T496 C500 F554 T560 L561 A562 | V274-V558 HydrophobicContact CG1-CB 4.47Å; V274-V558 HydrophobicContact CG1-CG1 3.92Å; F275-V558 HydrophobicContact CD2-CG1 4.48Å; F275-V558 HydrophobicContact CE2-CG1 3.99Å; F275-V558 HydrophobicContact CE2-CG2 4.46Å; A278-V558 HydrophobicContact CB-CG2 3.77Å; T496-V558 HydrophobicContact CG2-CG1 3.65Å; C500-V558 HydrophobicContact CB-CG1 4.12Å; F554-V558 HydrophobicContact CD1-CG2 3.87Å; F554-V558 HydrophobicContact CE1-CG2 3.48Å; F554-V558 VanDerWaalsContact CE1-CG2 3.48Å; F554-V558 HydrophobicContact CE2-CG2 4.49Å; F554-V558 HydrophobicContact CZ-CG2 3.82Å; F554-V558 WeakPolarHBondContact O-CG2 3.47Å; F554-V558 PolarHBondContact O-N 2.68Å; V558-T560 PolarHBondContact O-N 3.11Å; V558-L561 PolarHBondContact O-N 3.31Å; V558-A562 WeakPolarHBondContact O-CB 3.38Å; V558-A562 PolarHBondContact O-N 2.04Å |
| 559 | S | 92.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | -179.7 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | S462 Q555 I557 I563 | S462-S559 WeakPolarHBondContact OG-CB 2.94Å; Q555-S559 PolarHBondContact NE2-OG 2.83Å; Q555-S559 VanDerWaalsContact NE2-OG 3.16Å; Q555-S559 VanDerWaalsContact O-CB 3.27Å; Q555-S559 WeakPolarHBondContact O-CB 3.32Å; Q555-S559 PolarHBondContact O-N 2.85Å; Q555-S559 PolarHBondContact O-OG 2.75Å; I557-S559 PolarHBondContact O-N 2.86Å; S559-I563 WeakPolarHBondContact O-CG1 3.35Å; S559-I563 PolarHBondContact O-N 3.23Å; S559-I563 VanDerWaalsContact O-N 3.15Å |
| 560 | T | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | S370 V373 A466 S556 I557 V558 A562 I563 C564 | S370-T560 PolarHBondContact OG-OG1 2.88Å; S370-T560 VanDerWaalsContact OG-OG1 3.04Å; V373-T560 HydrophobicContact CB-CG2 4.1Å; V373-T560 HydrophobicContact CG1-CG2 3.84Å; A466-T560 HydrophobicContact CB-CG2 4.03Å; S556-T560 WeakPolarHBondContact O-CB 3.5Å; S556-T560 PolarHBondContact O-N 2.88Å; S556-T560 PolarHBondContact O-OG1 2.79Å; I557-T560 PolarHBondContact O-N 2.98Å; V558-T560 PolarHBondContact O-N 3.11Å; T560-A562 VanDerWaalsContact C-N 3.34Å; T560-A562 PolarHBondContact O-N 2.83Å; T560-I563 PolarHBondContact O-N 2.82Å; T560-C564 PolarHBondContact O-N 2.65Å; T560-C564 PolarHBondContact O-SG 2.95Å |
| 561 | L | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 179.1 | -73.2 | 172.5 | 0 | 0 | 0 | 111.1 | V274 Q277 A278 V373 L377 I557 V558 I563 C564 Y565 | V274-L561 HydrophobicContact CG1-CB 3.95Å; Q277-L561 HydrophobicContact CB-CD1 4.1Å; Q277-L561 HydrophobicContact CG-CD1 3.99Å; Q277-L561 HydrophobicContact CG-CD2 3.9Å; A278-L561 HydrophobicContact CB-CD1 3.82Å; V373-L561 HydrophobicContact CG1-CD2 3.74Å; V373-L561 HydrophobicContact CG1-CG 3.84Å; L377-L561 HydrophobicContact CD2-CD2 4.36Å; I557-L561 HydrophobicContact CG2-CD1 3.84Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.23Å; I557-L561 WeakPolarHBondContact O-CG 3.39Å; I557-L561 PolarHBondContact O-N 2.95Å; V558-L561 PolarHBondContact O-N 3.31Å; L561-I563 VanDerWaalsContact C-N 3.31Å; L561-I563 PolarHBondContact O-N 2.99Å; L561-C564 PolarHBondContact O-N 2.94Å; L561-C564 VanDerWaalsContact O-N 3.16Å; L561-Y565 HydrophobicContact CB-CD2 4.42Å; L561-Y565 HydrophobicContact CB-CE2 4.38Å; L561-Y565 WeakPolarHBondContact O-CD2 3.24Å; L561-Y565 PolarHBondContact O-N 3.48Å |
| 562 | A | 93.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.4 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F493 T496 V558 T560 Y565 C566 | F493-A562 HydrophobicContact CD2-CB 3.99Å; F493-A562 HydrophobicContact CE2-CB 4.44Å; T496-A562 HydrophobicContact CG2-CB 4.23Å; V558-A562 WeakPolarHBondContact O-CB 3.38Å; V558-A562 PolarHBondContact O-N 2.04Å; T560-A562 VanDerWaalsContact C-N 3.34Å; T560-A562 PolarHBondContact O-N 2.83Å; A562-Y565 PolarHBondContact O-N 2.85Å; A562-C566 PolarHBondContact O-N 2.63Å; A562-C566 PolarHBondContact O-SG 3.25Å |
| 563 | I | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 175.5 | -68.3 | -63.8 | 0 | 0 | 0 | 111.7 | A463 A466 V467 L485 I486 F493 S559 T560 L561 Y565 C566 I567 | A463-I563 HydrophobicContact CB-CD1 3.67Å; A463-I563 HydrophobicContact CB-CG1 3.86Å; A466-I563 HydrophobicContact CB-CB 3.8Å; A466-I563 HydrophobicContact CB-CG1 4.18Å; A466-I563 HydrophobicContact CB-CG2 3.81Å; V467-I563 HydrophobicContact CG2-CG2 4.07Å; L485-I563 HydrophobicContact CD1-CG2 4.46Å; I486-I563 HydrophobicContact CD1-CD1 4.47Å; I486-I563 HydrophobicContact CG1-CD1 3.96Å; F493-I563 HydrophobicContact CD2-CD1 3.67Å; F493-I563 HydrophobicContact CD2-CG1 4.12Å; F493-I563 HydrophobicContact CE2-CD1 3.56Å; F493-I563 HydrophobicContact CE2-CG1 3.71Å; F493-I563 HydrophobicContact CG-CD1 4.43Å; F493-I563 HydrophobicContact CZ-CD1 4.23Å; S559-I563 WeakPolarHBondContact O-CG1 3.35Å; S559-I563 PolarHBondContact O-N 3.23Å; S559-I563 VanDerWaalsContact O-N 3.15Å; T560-I563 PolarHBondContact O-N 2.82Å; L561-I563 VanDerWaalsContact C-N 3.31Å; L561-I563 PolarHBondContact O-N 2.99Å; I563-Y565 VanDerWaalsContact C-N 3.28Å; I563-Y565 PolarHBondContact O-N 2.8Å; I563-C566 CarbonylContact O-C 3.53Å; I563-C566 WeakPolarHBondContact O-CA 3.4Å; I563-C566 WeakPolarHBondContact O-CB 3.25Å; I563-C566 PolarHBondContact O-N 3.44Å; I563-I567 HydrophobicContact CG2-CD1 4.07Å; I563-I567 HydrophobicContact CG2-CG1 4.42Å; I563-I567 WeakPolarHBondContact O-CG1 3.48Å; I563-I567 PolarHBondContact O-N 3.05Å |
| 564 | C | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60 | -39 | 176.9 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | L377 F378 T560 L561 C566 I567 V568 | L377-C564 HydrophobicContact CD2-CB 3.44Å; L377-C564 VanDerWaalsContact CD2-CB 3.44Å; F378-C564 HydrophobicContact CE2-CB 3.91Å; F378-C564 HydrophobicContact CZ-CB 3.85Å; T560-C564 PolarHBondContact O-N 2.65Å; T560-C564 PolarHBondContact O-SG 2.95Å; L561-C564 PolarHBondContact O-N 2.94Å; L561-C564 VanDerWaalsContact O-N 3.16Å; C564-C566 VanDerWaalsContact C-N 3.34Å; C564-I567 WeakPolarHBondContact O-CB 3.42Å; C564-I567 PolarHBondContact O-N 3.49Å; C564-V568 WeakPolarHBondContact O-CG2 3.5Å; C564-V568 PolarHBondContact O-N 3.46Å |
| 565 | Y | 90.2 | Very high | 87.9 | Confident | 42 Ų | 42 | 28 Ų | 28 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 172.4 | -81.7 | -70.8 | 0 | 0 | 0 | 111.9 | Y3 F270 V274 L561 A562 I563 I567 V568 Q569 | Y3-Y565 AromaticContact CE2-CD1 3.55Å; Y3-Y565 HydrophobicContact CE2-CD1 3.55Å; Y3-Y565 AromaticContact CE2-CE1 3.51Å; Y3-Y565 HydrophobicContact CE2-CE1 3.51Å; Y3-Y565 AromaticContact CZ-CD1 3.94Å; Y3-Y565 AromaticContact CZ-CE1 3.49Å; Y3-Y565 VanDerWaalsContact CZ-CE1 3.49Å; Y3-Y565 WeakPolarHBondContact OH-CE1 3.33Å; F270-Y565 HydrophobicContact CE2-CG 4.31Å; V274-Y565 HydrophobicContact CG2-CD2 3.77Å; V274-Y565 HydrophobicContact CG2-CE2 4Å; L561-Y565 HydrophobicContact CB-CD2 4.42Å; L561-Y565 HydrophobicContact CB-CE2 4.38Å; L561-Y565 WeakPolarHBondContact O-CD2 3.24Å; L561-Y565 PolarHBondContact O-N 3.48Å; A562-Y565 PolarHBondContact O-N 2.85Å; I563-Y565 VanDerWaalsContact C-N 3.28Å; I563-Y565 PolarHBondContact O-N 2.8Å; Y565-I567 VanDerWaalsContact C-N 3.34Å; Y565-V568 PolarHBondContact O-N 2.88Å; Y565-Q569 WeakPolarHBondContact O-CB 3.38Å; Y565-Q569 PolarHBondContact O-N 3.16Å |
| 566 | C | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -38.1 | 174.6 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | A562 I563 C564 Q569 T570 | A562-C566 PolarHBondContact O-N 2.63Å; A562-C566 PolarHBondContact O-SG 3.25Å; I563-C566 CarbonylContact O-C 3.53Å; I563-C566 WeakPolarHBondContact O-CA 3.4Å; I563-C566 WeakPolarHBondContact O-CB 3.25Å; I563-C566 PolarHBondContact O-N 3.44Å; C564-C566 VanDerWaalsContact C-N 3.34Å; C566-Q569 PolarHBondContact O-N 2.82Å; C566-T570 WeakPolarHBondContact O-CB 3.33Å; C566-T570 PolarHBondContact O-N 2.93Å; C566-T570 PolarHBondContact O-OG1 3.39Å |
| 567 | I | 89.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.087 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 174.1 | -67.2 | 168.6 | 0 | 0 | 0 | 109.7 | V10 V470 L485 I563 C564 Y565 Q569 T570 E571 | V10-I567 HydrophobicContact CG1-CG2 4.15Å; V10-I567 HydrophobicContact CG2-CG2 3.96Å; V470-I567 HydrophobicContact CB-CD1 4.48Å; V470-I567 HydrophobicContact CG2-CD1 4.11Å; L485-I567 HydrophobicContact CD1-CD1 4.23Å; L485-I567 HydrophobicContact CD1-CG1 3.61Å; L485-I567 HydrophobicContact CD2-CG1 4Å; L485-I567 HydrophobicContact CG-CG1 4.48Å; I563-I567 HydrophobicContact CG2-CD1 4.07Å; I563-I567 HydrophobicContact CG2-CG1 4.42Å; I563-I567 WeakPolarHBondContact O-CG1 3.48Å; I563-I567 PolarHBondContact O-N 3.05Å; C564-I567 WeakPolarHBondContact O-CB 3.42Å; C564-I567 PolarHBondContact O-N 3.49Å; Y565-I567 VanDerWaalsContact C-N 3.34Å; I567-Q569 VanDerWaalsContact C-N 3.3Å; I567-Q569 PolarHBondContact O-N 3.35Å; I567-T570 PolarHBondContact O-N 2.04Å; I567-T570 VanDerWaalsContact O-N 3.1Å; I567-E571 HydrophobicContact CG2-CG 4.44Å; I567-E571 WeakPolarHBondContact O-CG 3.47Å; I567-E571 PolarHBondContact O-N 3.31Å |
| 568 | V | 86.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 179.3 | 176 | 0 | 0 | 0 | 0 | 111.7 | Y3 A6 A7 V10 F378 C564 Y565 T570 E571 A572 | Y3-V568 HydrophobicContact CD2-CG1 3.69Å; Y3-V568 HydrophobicContact CE2-CB 4.16Å; Y3-V568 HydrophobicContact CE2-CG1 3.68Å; Y3-V568 HydrophobicContact CE2-CG2 4.39Å; A6-V568 HydrophobicContact CB-CG1 3.79Å; A7-V568 HydrophobicContact CB-CG1 4.35Å; A7-V568 HydrophobicContact CB-CG2 4.09Å; V10-V568 HydrophobicContact CG2-CG2 4.46Å; F378-V568 HydrophobicContact CE1-CG2 3.51Å; F378-V568 HydrophobicContact CZ-CG2 3.98Å; C564-V568 WeakPolarHBondContact O-CG2 3.5Å; C564-V568 PolarHBondContact O-N 3.46Å; Y565-V568 PolarHBondContact O-N 2.88Å; V568-T570 VanDerWaalsContact C-N 3.31Å; V568-T570 PolarHBondContact O-N 3.08Å; V568-E571 PolarHBondContact O-N 2.97Å; V568-A572 VanDerWaalsContact O-CB 3.28Å; V568-A572 WeakPolarHBondContact O-CB 3.41Å; V568-A572 PolarHBondContact O-N 2.77Å |
| 569 | Q | 83.6 | Confident | 84.8 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -38 | 178.5 | -170.8 | -177.3 | -23.9 | 0 | 0 | 111.8 | N489 K492 Y565 C566 I567 R573 | N489-Q569 PolarHBondContact OD1-NE2 2.91Å; N489-Q569 PolarHBondContact OD1-OE1 3.28Å; K492-Q569 VanDerWaalsContact NZ-NE2 3.15Å; Y565-Q569 WeakPolarHBondContact O-CB 3.38Å; Y565-Q569 PolarHBondContact O-N 3.16Å; C566-Q569 PolarHBondContact O-N 2.82Å; I567-Q569 VanDerWaalsContact C-N 3.3Å; I567-Q569 PolarHBondContact O-N 3.35Å; Q569-R573 PolarHBondContact O-N 3.12Å |
| 570 | T | 83.8 | Confident | 84.1 | Confident | 48 Ų | 48 | 46.1 Ų | 46.1 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.1 | -46.2 | 178 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | C566 I567 V568 A572 R573 L574 | C566-T570 WeakPolarHBondContact O-CB 3.33Å; C566-T570 PolarHBondContact O-N 2.93Å; C566-T570 PolarHBondContact O-OG1 3.39Å; I567-T570 PolarHBondContact O-N 2.04Å; I567-T570 VanDerWaalsContact O-N 3.1Å; V568-T570 VanDerWaalsContact C-N 3.31Å; V568-T570 PolarHBondContact O-N 3.08Å; T570-A572 PolarHBondContact O-N 3.5Å; T570-R573 WeakPolarHBondContact O-CB 3.46Å; T570-R573 PolarHBondContact O-N 2.04Å; T570-R573 VanDerWaalsContact O-N 3.15Å; T570-L574 WeakPolarHBondContact O-CG 3.25Å; T570-L574 PolarHBondContact O-N 3.24Å |
| 571 | E | 81.6 | Confident | 83.4 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.8 | -68.4 | -61.1 | 158.1 | 0 | 0 | 112.2 | V10 I567 V568 R573 L574 L575 | V10-E571 HydrophobicContact CG2-CB 4.48Å; V10-E571 HydrophobicContact CG2-CG 3.94Å; I567-E571 HydrophobicContact CG2-CG 4.44Å; I567-E571 WeakPolarHBondContact O-CG 3.47Å; I567-E571 PolarHBondContact O-N 3.31Å; V568-E571 PolarHBondContact O-N 2.97Å; E571-R573 VanDerWaalsContact C-N 3.26Å; E571-R573 PolarHBondContact O-N 2.7Å; E571-L574 PolarHBondContact O-N 2.95Å; E571-L575 WeakPolarHBondContact O-CG 3.24Å; E571-L575 PolarHBondContact O-N 3.1Å |
| 572 | A | 78.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A6 V568 T570 R576 | A6-A572 HydrophobicContact CB-CB 3.7Å; V568-A572 VanDerWaalsContact O-CB 3.28Å; V568-A572 WeakPolarHBondContact O-CB 3.41Å; V568-A572 PolarHBondContact O-N 2.77Å; T570-A572 PolarHBondContact O-N 3.5Å; A572-R576 WeakPolarHBondContact O-CG 3.5Å; A572-R576 PolarHBondContact O-N 3.06Å |
| 573 | R | 78.9 | Confident | 81.8 | Confident | 148 Ų | 148 | 56.7 Ų | 56.7 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 174.8 | -171.7 | -178.7 | -176.2 | -176.2 | 2.7 | 111.9 | Q569 T570 E571 L575 R576 I577 | Q569-R573 PolarHBondContact O-N 3.12Å; T570-R573 WeakPolarHBondContact O-CB 3.46Å; T570-R573 PolarHBondContact O-N 2.04Å; T570-R573 VanDerWaalsContact O-N 3.15Å; E571-R573 VanDerWaalsContact C-N 3.26Å; E571-R573 PolarHBondContact O-N 2.7Å; R573-L575 VanDerWaalsContact C-N 3.34Å; R573-L575 PolarHBondContact O-N 2.83Å; R573-R576 WeakPolarHBondContact O-CB 3.17Å; R573-R576 PolarHBondContact O-N 3.09Å; R573-R576 VanDerWaalsContact O-N 3.17Å; R573-I577 HydrophobicContact CG-CD1 4.12Å; R573-I577 WeakPolarHBondContact O-CG1 3.42Å; R573-I577 PolarHBondContact O-N 3.49Å |
| 574 | L | 79 | Confident | 80.9 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 177 | -69 | 175.7 | 0 | 0 | 0 | 111.9 | T570 E571 R576 I577 K578 | T570-L574 WeakPolarHBondContact O-CG 3.25Å; T570-L574 PolarHBondContact O-N 3.24Å; E571-L574 PolarHBondContact O-N 2.95Å; L574-R576 VanDerWaalsContact C-N 3.34Å; L574-I577 PolarHBondContact O-N 2.75Å; L574-K578 WeakPolarHBondContact O-CB 3.26Å; L574-K578 PolarHBondContact O-N 3.16Å |
| 575 | L | 76.3 | Confident | 79.8 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 172.5 | -69 | 169 | 0 | 0 | 0 | 111.1 | Q9 E571 R573 I577 K578 Y579 | Q9-L575 HydrophobicContact CG-CD1 4.1Å; E571-L575 WeakPolarHBondContact O-CG 3.24Å; E571-L575 PolarHBondContact O-N 3.1Å; R573-L575 VanDerWaalsContact C-N 3.34Å; R573-L575 PolarHBondContact O-N 2.83Å; L575-I577 PolarHBondContact O-N 3.01Å; L575-K578 WeakPolarHBondContact O-CB 3.27Å; L575-K578 PolarHBondContact O-N 3.34Å; L575-K578 VanDerWaalsContact O-N 3.14Å; L575-Y579 HydrophobicContact CD2-CE2 4Å; L575-Y579 WeakPolarHBondContact O-CD2 3.49Å; L575-Y579 PolarHBondContact O-N 2.86Å; L575-Y579 VanDerWaalsContact O-N 3.09Å |
| 576 | R | 74.6 | Confident | 79 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 176.3 | -76.3 | -174.5 | -65.1 | 157.2 | 11.5 | 111.7 | A572 R573 L574 K578 Y579 F580 I585 E589 | A572-R576 WeakPolarHBondContact O-CG 3.5Å; A572-R576 PolarHBondContact O-N 3.06Å; R573-R576 WeakPolarHBondContact O-CB 3.17Å; R573-R576 PolarHBondContact O-N 3.09Å; R573-R576 VanDerWaalsContact O-N 3.17Å; L574-R576 VanDerWaalsContact C-N 3.34Å; R576-K578 PolarHBondContact O-N 2.86Å; R576-Y579 PolarHBondContact O-N 3.48Å; R576-F580 HydrophobicContact CB-CD2 4.41Å; R576-F580 HydrophobicContact CG-CD2 4.43Å; R576-F580 WeakPolarHBondContact O-CB 3.34Å; R576-F580 WeakPolarHBondContact O-CD2 3.43Å; R576-F580 PolarHBondContact O-N 3.46Å; R576-I585 HydrophobicContact CB-CD1 4.25Å; R576-I585 HydrophobicContact CB-CG1 4.29Å; R576-E589 IonicContact CZ-OE1 2.76Å; R576-E589 VanDerWaalsContact CZ-OE1 3.23Å; R576-E589 IonicContact NH1-OE1 3.67Å; R576-E589 PolarHBondContact NH1-OE1 3.02Å; R576-E589 IonicContact NH2-OE1 3.17Å; R576-E589 PolarHBondContact NH2-OE1 2.96Å |
| 577 | I | 77.4 | Confident | 78.1 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.7 | -34.1 | 176.2 | -66.1 | 165.7 | 0 | 0 | 0 | 112.3 | R573 L574 L575 I585 | R573-I577 HydrophobicContact CG-CD1 4.12Å; R573-I577 WeakPolarHBondContact O-CG1 3.42Å; R573-I577 PolarHBondContact O-N 3.49Å; L574-I577 PolarHBondContact O-N 2.75Å; L575-I577 PolarHBondContact O-N 3.01Å; I577-I585 HydrophobicContact CB-CD1 4.44Å; I577-I585 HydrophobicContact CG1-CD1 3.97Å |
| 578 | K | 76.9 | Confident | 76.8 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 45% | 0.452 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | -178.7 | -173.6 | 177.9 | -179.8 | -177 | 0 | 113 | L574 L575 R576 | L574-K578 WeakPolarHBondContact O-CB 3.26Å; L574-K578 PolarHBondContact O-N 3.16Å; L575-K578 WeakPolarHBondContact O-CB 3.27Å; L575-K578 PolarHBondContact O-N 3.34Å; L575-K578 VanDerWaalsContact O-N 3.14Å; R576-K578 PolarHBondContact O-N 2.86Å |
| 579 | Y | 75 | Confident | 75.8 | Confident | 102 Ų | 102 | 70.7 Ų | 70.7 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -104.3 | -23 | -171.9 | -68.8 | -71.9 | 0 | 0 | 0 | 114.1 | L575 R576 | L575-Y579 HydrophobicContact CD2-CE2 4Å; L575-Y579 WeakPolarHBondContact O-CD2 3.49Å; L575-Y579 PolarHBondContact O-N 2.86Å; L575-Y579 VanDerWaalsContact O-N 3.09Å; R576-Y579 PolarHBondContact O-N 3.48Å |
| 580 | F | 76.8 | Confident | 74.8 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -117.2 | 150 | -175.8 | -58.8 | -84.1 | 0 | 0 | 0 | 111.2 | R576 Q584 I585 | R576-F580 HydrophobicContact CB-CD2 4.41Å; R576-F580 HydrophobicContact CG-CD2 4.43Å; R576-F580 WeakPolarHBondContact O-CB 3.34Å; R576-F580 WeakPolarHBondContact O-CD2 3.43Å; R576-F580 PolarHBondContact O-N 3.46Å; F580-Q584 VanDerWaalsContact CA-OE1 3.31Å; F580-Q584 HydrophobicContact CB-CB 4.04Å; F580-Q584 HydrophobicContact CD1-CB 4.41Å; F580-I585 HydrophobicContact CB-CD1 4.42Å; F580-I585 HydrophobicContact CB-CG1 3.91Å |
| 581 | T | 79.6 | Confident | 73.6 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | trans | -71.1 | 160.4 | 171.8 | 63 | 0 | 0 | 0 | 0 | 110.5 | E583 Q584 I585 | T581-E583 PolarHBondContact O-N 2.99Å; T581-Q584 PolarHBondContact O-N 3.38Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.48Å; T581-Q584 PolarHBondContact OG1-N 3.17Å; T581-Q584 PolarHBondContact OG1-OE1 3.06Å; T581-I585 WeakPolarHBondContact O-CG1 3.33Å; T581-I585 PolarHBondContact O-N 2.93Å; T581-I585 VanDerWaalsContact O-N 3.11Å | ||
| 582 | S | 75.6 | Confident | 72.4 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57 | -39.3 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 112 | I585 D586 | S582-I585 PolarHBondContact O-N 2.68Å; S582-D586 PolarHBondContact O-N 3.43Å |
| 583 | E | 78.2 | Confident | 71 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.4 | -67.1 | 172.5 | -170 | 0 | 0 | 112.5 | T581 I585 D586 M587 S604 | T581-E583 PolarHBondContact O-N 2.99Å; E583-I585 VanDerWaalsContact C-N 3.33Å; E583-I585 PolarHBondContact O-N 3.4Å; E583-D586 PolarHBondContact O-N 3.48Å; E583-M587 WeakPolarHBondContact O-CB 3.4Å; E583-M587 PolarHBondContact O-N 2.96Å; E583-S604 WeakPolarHBondContact OE2-CB 3.43Å; E583-S604 PolarHBondContact OE2-OG 3.07Å |
| 584 | Q | 75.2 | Confident | 69.6 | Low | 17 Ų | 17 | 78.3 Ų | 78.3 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.1 | -73.9 | 171.1 | -22.6 | 0 | 0 | 111 | F580 T581 Y588 | F580-Q584 VanDerWaalsContact CA-OE1 3.31Å; F580-Q584 HydrophobicContact CB-CB 4.04Å; F580-Q584 HydrophobicContact CD1-CB 4.41Å; T581-Q584 PolarHBondContact O-N 3.38Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.48Å; T581-Q584 PolarHBondContact OG1-N 3.17Å; T581-Q584 PolarHBondContact OG1-OE1 3.06Å; Q584-Y588 WeakPolarHBondContact O-CD2 3.5Å; Q584-Y588 PolarHBondContact O-N 3Å |
| 585 | I | 69 | Low | 67.8 | Low | 18 Ų | 18 | 79.3 Ų | 79.3 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 179.1 | -63.3 | 169.5 | 0 | 0 | 0 | 110.8 | R576 I577 F580 T581 S582 E583 M587 Y588 E589 | R576-I585 HydrophobicContact CB-CD1 4.25Å; R576-I585 HydrophobicContact CB-CG1 4.29Å; I577-I585 HydrophobicContact CB-CD1 4.44Å; I577-I585 HydrophobicContact CG1-CD1 3.97Å; F580-I585 HydrophobicContact CB-CD1 4.42Å; F580-I585 HydrophobicContact CB-CG1 3.91Å; T581-I585 WeakPolarHBondContact O-CG1 3.33Å; T581-I585 PolarHBondContact O-N 2.93Å; T581-I585 VanDerWaalsContact O-N 3.11Å; S582-I585 PolarHBondContact O-N 2.68Å; E583-I585 VanDerWaalsContact C-N 3.33Å; E583-I585 PolarHBondContact O-N 3.4Å; I585-M587 VanDerWaalsContact C-N 3.33Å; I585-M587 PolarHBondContact O-N 3.45Å; I585-Y588 PolarHBondContact O-N 3.16Å; I585-E589 HydrophobicContact CG2-CG 4.34Å; I585-E589 WeakPolarHBondContact O-CG 3.38Å; I585-E589 PolarHBondContact O-N 3.1Å |
| 586 | D | 74.1 | Confident | 66.2 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 179.7 | -71.2 | -14.4 | 0 | 0 | 0 | 110.9 | S582 E583 Y588 E589 N590 | S582-D586 PolarHBondContact O-N 3.43Å; E583-D586 PolarHBondContact O-N 3.48Å; D586-Y588 PolarHBondContact O-N 3Å; D586-E589 PolarHBondContact O-N 3.05Å; D586-N590 VanDerWaalsContact O-CB 3.29Å; D586-N590 WeakPolarHBondContact O-CB 3.11Å; D586-N590 PolarHBondContact O-N 2.66Å; D586-N590 PolarHBondContact O-ND2 3.24Å |
| 587 | M | 69.8 | Low | 64.7 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 174 | -170.8 | -168 | 61.1 | 0 | 0 | 112.1 | E583 I585 M591 L605 | E583-M587 WeakPolarHBondContact O-CB 3.4Å; E583-M587 PolarHBondContact O-N 2.96Å; I585-M587 VanDerWaalsContact C-N 3.33Å; I585-M587 PolarHBondContact O-N 3.45Å; M587-M591 HydrophobicContact CE-CE 3.73Å; M587-M591 HydrophobicContact CG-CE 3.9Å; M587-M591 WeakPolarHBondContact O-CB 3.17Å; M587-M591 WeakPolarHBondContact O-CG 3.3Å; M587-M591 PolarHBondContact O-N 3.29Å; M587-M591 HydrophobicContact SD-CE 4.17Å; M587-L605 HydrophobicContact CE-CD2 4.17Å |
| 588 | Y | 62.5 | Low | 63.2 | Low | 126 Ų | 126 | 88.4 Ų | 88.4 | 49% | 0.494 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 177 | -90.5 | -70.1 | 0 | 0 | 0 | 113.2 | Q584 I585 D586 M591 R592 | Q584-Y588 WeakPolarHBondContact O-CD2 3.5Å; Q584-Y588 PolarHBondContact O-N 3Å; I585-Y588 PolarHBondContact O-N 3.16Å; D586-Y588 PolarHBondContact O-N 3Å; Y588-M591 HydrophobicContact CD1-CE 4.18Å; Y588-M591 HydrophobicContact CE1-CE 4.43Å; Y588-R592 WeakPolarHBondContact O-CB 3.45Å; Y588-R592 PolarHBondContact O-N 3.19Å |
| 589 | E | 65.2 | Low | 61.8 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 177.8 | -68.8 | -168.1 | 163.3 | 0 | 0 | 110.9 | R576 I585 D586 R592 D593 | R576-E589 IonicContact CZ-OE1 2.76Å; R576-E589 VanDerWaalsContact CZ-OE1 3.23Å; R576-E589 IonicContact NH1-OE1 3.67Å; R576-E589 PolarHBondContact NH1-OE1 3.02Å; R576-E589 IonicContact NH2-OE1 3.17Å; R576-E589 PolarHBondContact NH2-OE1 2.96Å; I585-E589 HydrophobicContact CG2-CG 4.34Å; I585-E589 WeakPolarHBondContact O-CG 3.38Å; I585-E589 PolarHBondContact O-N 3.1Å; D586-E589 PolarHBondContact O-N 3.05Å; E589-R592 PolarHBondContact O-N 3.33Å; E589-R592 VanDerWaalsContact O-N 3.16Å; E589-D593 PolarHBondContact O-N 3.03Å |
| 590 | N | 61.9 | Low | 60.7 | Low | 78 Ų | 78 | 87.8 Ų | 87.8 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.5 | -67.7 | -16 | 0 | 0 | 0 | 112.3 | D586 R592 D593 G594 D595 | D586-N590 VanDerWaalsContact O-CB 3.29Å; D586-N590 WeakPolarHBondContact O-CB 3.11Å; D586-N590 PolarHBondContact O-N 2.66Å; D586-N590 PolarHBondContact O-ND2 3.24Å; N590-R592 VanDerWaalsContact C-N 3.29Å; N590-R592 PolarHBondContact O-N 3.01Å; N590-D593 PolarHBondContact O-N 2.92Å; N590-G594 PolarHBondContact O-N 3.24Å; N590-G594 VanDerWaalsContact O-N 3.13Å; N590-D595 PolarHBondContact O-N 3.44Å; N590-D595 VanDerWaalsContact O-N 3.12Å |
| 591 | M | 58.7 | Low | 59.1 | Low | 97 Ų | 97 | 90 Ų | 90 | 48% | 0.478 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 173.1 | -82.1 | -165.8 | -83.9 | 0 | 0 | 112.8 | M587 Y588 A597 | M587-M591 HydrophobicContact CE-CE 3.73Å; M587-M591 HydrophobicContact CG-CE 3.9Å; M587-M591 WeakPolarHBondContact O-CB 3.17Å; M587-M591 WeakPolarHBondContact O-CG 3.3Å; M587-M591 PolarHBondContact O-N 3.29Å; M587-M591 HydrophobicContact SD-CE 4.17Å; Y588-M591 HydrophobicContact CD1-CE 4.18Å; Y588-M591 HydrophobicContact CE1-CE 4.43Å; M591-A597 HydrophobicContact CG-CB 4.34Å |
| 592 | R | 56.1 | Low | 57.4 | Low | 171 Ų | 171 | 91.8 Ų | 91.8 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.5 | -38 | 179.3 | -163.8 | -171.7 | 84.7 | 178.5 | -1.6 | 112.2 | Y588 E589 N590 G594 | Y588-R592 WeakPolarHBondContact O-CB 3.45Å; Y588-R592 PolarHBondContact O-N 3.19Å; E589-R592 PolarHBondContact O-N 3.33Å; E589-R592 VanDerWaalsContact O-N 3.16Å; N590-R592 VanDerWaalsContact C-N 3.29Å; N590-R592 PolarHBondContact O-N 3.01Å; R592-G594 PolarHBondContact O-N 3.42Å |
| 593 | D | 51.5 | Low | 56.1 | Low | 109 Ų | 109 | 96.9 Ų | 96.9 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -84 | 0.3 | -178.5 | -66.6 | -15.7 | 0 | 0 | 0 | 112.3 | E589 N590 | E589-D593 PolarHBondContact O-N 3.03Å; N590-D593 PolarHBondContact O-N 2.92Å |
| 594 | G | 48.3 | Very low | 54.4 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 63% | 0.629 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 8.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N590 R592 | N590-G594 PolarHBondContact O-N 3.24Å; N590-G594 VanDerWaalsContact O-N 3.13Å; R592-G594 PolarHBondContact O-N 3.42Å |
| 595 | D | 41.9 | Very low | 52.8 | Low | 113 Ų | 113 | 97.3 Ų | 97.3 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | trans | -81.5 | 131.5 | 174.8 | -76.5 | -28.7 | 0 | 0 | 0 | 110 | N590 A597 | N590-D595 PolarHBondContact O-N 3.44Å; N590-D595 VanDerWaalsContact O-N 3.12Å; D595-A597 PolarHBondContact O-N 3.41Å | ||
| 596 | Q | 42.8 | Very low | 51.7 | Low | 199 Ų | 199 | 102.9 Ų | 102.9 | 93% | 0.93 | 56% | 0.556 | S | S | * | * | trans | -57.7 | 106.5 | -179.6 | -74.2 | 175.7 | -19.1 | 0 | 0 | 109.8 | D598 | Q596-D598 PolarHBondContact O-N 2.9Š| ||
| 597 | A | 41.5 | Very low | 50.2 | Low | 47 Ų | 47 | 106.2 Ų | 106.2 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | trans | -64.9 | 122.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | M591 D595 P599 | M591-A597 HydrophobicContact CG-CB 4.34Å; D595-A597 PolarHBondContact O-N 3.41Å; A597-P599 WeakPolarHBondContact O-CD 3.42Å | ||
| 598 | D | 47.6 | Very low | 49.1 | Very low | 118 Ų | 118 | 108.3 Ų | 108.3 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | trans | -66.5 | 118.2 | 173.2 | -166 | -32.7 | 0 | 0 | 0 | 108.9 | Q596 S600 | Q596-D598 PolarHBondContact O-N 2.9Å; D598-S600 PolarHBondContact O-N 2.89Å; D598-S600 VanDerWaalsContact O-N 3.15Å; D598-S600 PolarHBondContact OD1-N 2.86Å; D598-S600 PolarHBondContact OD1-OG 2.99Å | ||
| 599 | P | 47.1 | Very low | 48.3 | Very low | 99 Ų | 99 | 107.8 Ų | 107.8 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -69.1 | -9.8 | -172.1 | 24.7 | -32.5 | 0 | 0 | 0 | 114.4 | A597 N601 T602 | A597-P599 WeakPolarHBondContact O-CD 3.42Å; P599-N601 PolarHBondContact O-N 3.35Å; P599-T602 PolarHBondContact O-OG1 3.43Å |
| 600 | S | 50.7 | Low | 47.2 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -70.7 | -9.6 | -176.4 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | D598 | D598-S600 PolarHBondContact O-N 2.89Å; D598-S600 VanDerWaalsContact O-N 3.15Å; D598-S600 PolarHBondContact OD1-N 2.86Å; D598-S600 PolarHBondContact OD1-OG 2.99Å |
| 601 | N | 43.9 | Very low | 46.1 | Very low | 124 Ų | 124 | 114 Ų | 114 | 66% | 0.663 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -102.6 | 22.2 | -177.5 | -122 | 14.9 | 0 | 0 | 0 | 114.7 | P599 | P599-N601 PolarHBondContact O-N 3.35Š|
| 602 | T | 44.8 | Very low | 45.1 | Very low | 68 Ų | 68 | 117.8 Ų | 117.8 | 42% | 0.417 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -86.1 | -2.2 | -175.1 | 40.3 | 0 | 0 | 0 | 0 | 115 | P599 L605 | P599-T602 PolarHBondContact O-OG1 3.43Å; T602-L605 HydrophobicContact CG2-CD1 3.73Å; T602-L605 HydrophobicContact CG2-CG 4.48Å; T602-L605 VanDerWaalsContact O-CB 3.26Å; T602-L605 WeakPolarHBondContact O-CB 3.48Å; T602-L605 WeakPolarHBondContact O-CD1 3.29Å; T602-L605 WeakPolarHBondContact O-CG 3.07Å |
| 603 | E | 46.6 | Very low | 44 | Very low | 194 Ų | 194 | 119.4 Ų | 119.4 | 91% | 0.907 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -79.1 | -17.9 | -179.8 | -76.2 | -173.7 | 160.5 | 0 | 0 | 114.6 | L605 | E603-L605 PolarHBondContact O-N 2.56Š|
| 604 | S | 42.5 | Very low | 43 | Very low | 53 Ų | 53 | 120.3 Ų | 120.3 | 37% | 0.371 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -80.7 | 6.5 | 174.2 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | E583 V606 | E583-S604 WeakPolarHBondContact OE2-CB 3.43Å; E583-S604 PolarHBondContact OE2-OG 3.07Å; S604-V606 VanDerWaalsContact C-N 3.34Å; S604-V606 PolarHBondContact O-N 3.46Å |
| 605 | L | 42.5 | Very low | 42 | Very low | 78 Ų | 78 | 127 Ų | 127 | 41% | 0.408 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -12.2 | -167.4 | -82.3 | 176 | 0 | 0 | 0 | 117.2 | M587 T602 E603 | M587-L605 HydrophobicContact CE-CD2 4.17Å; T602-L605 HydrophobicContact CG2-CD1 3.73Å; T602-L605 HydrophobicContact CG2-CG 4.48Å; T602-L605 VanDerWaalsContact O-CB 3.26Å; T602-L605 WeakPolarHBondContact O-CB 3.48Å; T602-L605 WeakPolarHBondContact O-CD1 3.29Å; T602-L605 WeakPolarHBondContact O-CG 3.07Å; E603-L605 PolarHBondContact O-N 2.56Å |
| 606 | V | 46.1 | Very low | 41.4 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -14.4 | -165 | -175.7 | 0 | 0 | 0 | 0 | 114.4 | S604 V608 | S604-V606 VanDerWaalsContact C-N 3.34Å; S604-V606 PolarHBondContact O-N 3.46Å; V606-V608 PolarHBondContact O-N 3.48Å |
| 607 | E | 42 | Very low | 40.7 | Very low | 160 Ų | 160 | 129 Ų | 129 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | -90.5 | 94.3 | 178.8 | -98.1 | -173.7 | 158.4 | 0 | 0 | 112.8 | K609 | E607-K609 PolarHBondContact O-N 2.7Š| ||
| 608 | V | 46.8 | Very low | 40.2 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 58% | 0.582 | 68% | 0.681 | S | S | * | * | trans | -67.1 | 124.8 | 157.6 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | V606 Q610 | V606-V608 PolarHBondContact O-N 3.48Å; V608-Q610 PolarHBondContact O-N 3.37Å | ||
| 609 | K | 45.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 50% | 0.5 | 69% | 0.688 | S | S | . | * | trans | -57.6 | 114.7 | 171.5 | -96 | -175.2 | 175.3 | 178.6 | 0 | 109.1 | E607 | E607-K609 PolarHBondContact O-N 2.7Š| ||
| 610 | Q | 43 | Very low | 38.4 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | -64.9 | 139.3 | 168.9 | -70.1 | -168.8 | 0.3 | 0 | 0 | 109.1 | V608 E612 | V608-Q610 PolarHBondContact O-N 3.37Å; Q610-E612 PolarHBondContact O-N 3.05Å | ||
| 611 | P | 38.2 | Very low | 37.3 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | trans | -65 | 111.4 | -177.9 | 25.5 | -32.7 | 0 | 0 | 0 | 109.9 | K613 | P611-K613 PolarHBondContact O-N 2.8Å; P611-K613 VanDerWaalsContact O-N 3.14Å | ||
| 612 | E | 37.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -55.9 | 122.7 | 162.6 | -82.8 | -175.7 | 155.1 | 0 | 0 | 108 | Q610 V614 | Q610-E612 PolarHBondContact O-N 3.05Å; E612-V614 VanDerWaalsContact C-N 3.34Å; E612-V614 PolarHBondContact O-N 3.2Å | ||
| 613 | K | 33.3 | Very low | 35.8 | Very low | 205 Ų | 205 | 131 Ų | 131 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | trans | -59.2 | 101.9 | 168.1 | -78.8 | 178.5 | 178.3 | 173.3 | 0 | 106.6 | P611 R615 | P611-K613 PolarHBondContact O-N 2.8Å; P611-K613 VanDerWaalsContact O-N 3.14Å; K613-R615 VanDerWaalsContact C-N 3.3Å; K613-R615 PolarHBondContact O-N 2.98Å | ||
| 614 | V | 30.8 | Very low | 34.9 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -55.2 | 99.1 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | E612 K616 | E612-V614 VanDerWaalsContact C-N 3.34Å; E612-V614 PolarHBondContact O-N 3.2Å; V614-K616 PolarHBondContact O-N 3.17Å; V614-K616 VanDerWaalsContact O-N 3.15Å | ||
| 615 | R | 27.7 | Very low | 34 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -61.5 | 115.8 | 172.4 | -168.9 | 178.6 | -172.2 | 168.3 | 0.3 | 105.6 | K613 E617 | K613-R615 VanDerWaalsContact C-N 3.3Å; K613-R615 PolarHBondContact O-N 2.98Å; R615-E617 HydrophobicContact CG-CG 4.22Å; R615-E617 IonicContact NE-OE1 2.8Å; R615-E617 PolarHBondContact O-N 3.49Å | ||
| 616 | K | 28.5 | Very low | 33.4 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -63.1 | 84.5 | 168.8 | -74.9 | -179.2 | 175.7 | 178.2 | 0 | 108.1 | V614 S618 | V614-K616 PolarHBondContact O-N 3.17Å; V614-K616 VanDerWaalsContact O-N 3.15Å; K616-S618 PolarHBondContact O-N 2.88Å; K616-S618 VanDerWaalsContact O-N 3.14Å | ||
| 617 | E | 29.5 | Very low | 32.5 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -83.7 | 73.8 | 161.2 | -73 | -174.4 | 177.1 | 0 | 0 | 107.9 | R615 | R615-E617 HydrophobicContact CG-CG 4.22Å; R615-E617 IonicContact NE-OE1 2.8Å; R615-E617 PolarHBondContact O-N 3.49Å | ||
| 618 | S | 29.5 | Very low | 31.9 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -118.7 | 76.8 | 160 | 61.1 | 0 | 0 | 0 | 0 | 106.9 | K616 | K616-S618 PolarHBondContact O-N 2.88Å; K616-S618 VanDerWaalsContact O-N 3.14Å | ||
| 619 | A | 30.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -159.1 | 63.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 620 | G | 26.1 | Very low | 30.3 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -96 | 73.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 621 | S | 28.7 | Very low | 29.8 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -161 | 99.8 | 164.1 | 58 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 622 | S | 27.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 51.7 | 123.4 | 142.5 | 73.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 623 | A | 28.5 | Very low | 29 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | 78.9 | 113.6 | 126.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 624 | Y | 28.2 | Very low | 28.9 | Very low | 215 Ų | 215 | 133.8 Ų | 133.8 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | 149.5 | 96.1 | 125.1 | -119.8 | -104.4 | 0 | 0 | 0 | 107.8 | |||||
| 625 | S | 23.9 | Very low | 28.7 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | 45.9 | 95.2 | 88.7 | 64.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 626 | D | 30.6 | Very low | 29.2 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | 176.2 | 122.3 | 131.7 | -97.6 | -19.8 | 0 | 0 | 0 | 105.8 | ||||
| 627 | G | 26.3 | Very low | 29.3 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | 100.7 | 70.5 | 54.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 628 | R | 30.6 | Very low | 29.3 | Very low | 241 Ų | 241 | 134.3 Ų | 134.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -165.4 | 95.5 | 155.2 | -110.6 | 173.1 | -133.9 | -171.4 | 3.1 | 111.3 | ||||
| 629 | S | 25.6 | Very low | 29.2 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -52.9 | 136.5 | 147.8 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 630 | H | 31.9 | Very low | 29.2 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -170.2 | 125.7 | 134.1 | -101.2 | -66.1 | 0 | 0 | 0 | 110.4 | ||||
| 631 | T | 32.1 | Very low | 29.4 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | 64 | 113.1 | 145 | 52.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 632 | S | 27.9 | Very low | 29.4 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | 53.6 | 125.3 | 78.4 | 83.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 633 | E | 32.5 | Very low | 29.6 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | cis | -175.3 | 139.7 | 42.2 | -116.2 | 155 | 152.2 | 0 | 0 | 106.4 | ||||
| 634 | N | 30.3 | Very low | 29.6 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | 53.6 | 121.7 | 118.5 | -87.9 | -21.9 | 0 | 0 | 0 | 119.8 | |||||
| 635 | R | 25.8 | Very low | 29.8 | Very low | 231 Ų | 231 | 145.6 Ų | 145.6 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 45.8 | 111.4 | 130.1 | -72.2 | -179 | 173.3 | 176.2 | -1.8 | 118.6 | ||||
| 636 | S | 39.7 | Very low | 30.3 | Very low | 196 Ų | 196 | 151.2 Ų | 151.2 | 100% | 1.371 | 82% | 0.815 | S | S | * | * | -164.8 | 0 | 109.8 | 61.3 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 636 of 636 residues in 209.1 ms
(Link to these results)