| 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 | 63.7 | Low | 78.2 | Confident | 123 Ų | 123 | 90.4 Ų | 90.4 | 61% | 0.606 | 47% | 0.47 | S | S | * | . | 0 | -45.9 | 0 | -76.2 | -174.8 | -84.8 | 0 | 0 | 111.4 | A3 L4 L5 W65 A86 P87 M90 | M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-W65 HydrophobicContact SD-CZ2 3.94Å; M1-A86 HydrophobicContact CB-CB 4.35Å; M1-P87 HydrophobicContact CE-CB 4.06Å; M1-P87 HydrophobicContact CE-CG 3.69Å; M1-P87 HydrophobicContact SD-CB 3.79Å; M1-P87 HydrophobicContact SD-CG 3.79Å; M1-M90 HydrophobicContact CB-CE 3.59Å; M1-M90 HydrophobicContact CB-SD 4.06Å; M1-M90 HydrophobicContact CG-CE 3.88Å; M1-M90 HydrophobicContact CG-SD 3.68Å; M1-M90 WeakPolarHBondContact O-CE 3.37Å; M1-M90 HydrophobicContact SD-SD 4.03Å | |||
| 2 | E | 74.3 | Confident | 78.9 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -49.7 | -41.7 | 178.8 | -61.5 | -54.9 | 139.8 | 0 | 0 | 115 | L4 L5 P6 A86 | E2-L4 PolarHBondContact O-N 3.25Å; E2-L5 PolarHBondContact O-N 3.42Å; E2-P6 VanDerWaalsContact O-CD 3.32Å; E2-P6 WeakPolarHBondContact O-CD 3.43Å; E2-A86 VanDerWaalsContact OE1-CB 3.26Å; E2-A86 WeakPolarHBondContact OE1-CB 3.46Å |
| 3 | A | 74.3 | Confident | 79.5 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 78% | 0.777 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -65.1 | -22.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 | M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-A3 VanDerWaalsContact O-N 3.16Å |
| 4 | L | 78.2 | Confident | 80.2 | Confident | 93 Ų | 93 | 81.7 Ų | 81.7 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -90.3 | -24 | -178.5 | -155.1 | 83.3 | 0 | 0 | 0 | 111.7 | M1 E2 V7 L8 M90 | M1-L4 PolarHBondContact O-N 3.26Å; E2-L4 PolarHBondContact O-N 3.25Å; L4-V7 WeakPolarHBondContact O-CB 3.29Å; L4-V7 PolarHBondContact O-N 3.49Å; L4-V7 VanDerWaalsContact O-N 3.16Å; L4-L8 HydrophobicContact CD2-CD1 4.04Å; L4-L8 HydrophobicContact CD2-CD2 4.35Å; L4-L8 HydrophobicContact CD2-CG 4.3Å; L4-L8 HydrophobicContact CG-CD1 4.33Å; L4-L8 HydrophobicContact CG-CG 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.02Å; L4-M90 HydrophobicContact CB-CE 3.65Å; L4-M90 HydrophobicContact CD2-CE 4.04Å; L4-M90 HydrophobicContact CD2-SD 4.27Å; L4-M90 HydrophobicContact CG-CE 4.43Å |
| 5 | L | 81.6 | Confident | 80.9 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -52.7 | -49.7 | -178 | -176 | 62.3 | 0 | 0 | 0 | 114.1 | M1 E2 V7 L8 Q9 A86 Y89 | M1-L5 PolarHBondContact O-N 3.47Å; E2-L5 PolarHBondContact O-N 3.42Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-L8 VanDerWaalsContact O-N 3.13Å; L5-Q9 HydrophobicContact CD1-CG 4.04Å; L5-Q9 HydrophobicContact CG-CG 4.3Å; L5-Q9 WeakPolarHBondContact O-CG 3.34Å; L5-Q9 PolarHBondContact O-N 3.49Å; L5-A86 HydrophobicContact CB-CB 3.98Å; L5-A86 HydrophobicContact CD1-CB 4.32Å; L5-A86 HydrophobicContact CD2-CB 3.86Å; L5-A86 HydrophobicContact CG-CB 4.27Å; L5-Y89 HydrophobicContact CD1-CD1 3.75Å; L5-Y89 HydrophobicContact CD1-CG 3.83Å |
| 6 | P | 76.5 | Confident | 81.6 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 49% | 0.494 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -30.8 | -178.6 | 22.8 | -32.6 | 0 | 0 | 0 | 112.8 | E2 R10 | E2-P6 VanDerWaalsContact O-CD 3.32Å; E2-P6 WeakPolarHBondContact O-CD 3.43Å; P6-R10 WeakPolarHBondContact O-CB 3.49Å; P6-R10 PolarHBondContact O-N 2.95Å; P6-R10 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 77.9 | Confident | 82.3 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.3 | -43.4 | 175 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | L4 L5 R10 H11 | L4-V7 WeakPolarHBondContact O-CB 3.29Å; L4-V7 PolarHBondContact O-N 3.49Å; L4-V7 VanDerWaalsContact O-N 3.16Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.39Å; V7-R10 PolarHBondContact O-N 3.5Å; V7-H11 PolarHBondContact O-N 3.29Å |
| 8 | L | 78.2 | Confident | 82.9 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 179.6 | -62.8 | 171.4 | 0 | 0 | 0 | 112.4 | L4 L5 H11 P12 S15 Y89 M90 | L4-L8 HydrophobicContact CD2-CD1 4.04Å; L4-L8 HydrophobicContact CD2-CD2 4.35Å; L4-L8 HydrophobicContact CD2-CG 4.3Å; L4-L8 HydrophobicContact CG-CD1 4.33Å; L4-L8 HydrophobicContact CG-CG 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.02Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-L8 VanDerWaalsContact O-N 3.13Å; L8-H11 CarbonylContact O-C 3.32Å; L8-H11 VanDerWaalsContact O-C 3.32Å; L8-P12 WeakPolarHBondContact O-CA 3.42Å; L8-S15 WeakPolarHBondContact CA-OG 3.44Å; L8-S15 VanDerWaalsContact CD2-OG 3.28Å; L8-S15 WeakPolarHBondContact CD2-OG 3.38Å; L8-S15 PolarHBondContact O-OG 3.14Å; L8-Y89 HydrophobicContact CB-CD1 4.29Å; L8-Y89 HydrophobicContact CB-CE1 3.95Å; L8-M90 HydrophobicContact CD1-CE 3.96Å; L8-M90 HydrophobicContact CD1-CG 3.45Å; L8-M90 VanDerWaalsContact CD1-CG 3.45Å; L8-M90 HydrophobicContact CD1-SD 4.31Å |
| 9 | Q | 82.6 | Confident | 83.4 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 23% | 0.229 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 178.8 | -73.4 | 175.4 | -30.9 | 0 | 0 | 112.3 | L5 H11 P12 Y84 Y89 | L5-Q9 HydrophobicContact CD1-CG 4.04Å; L5-Q9 HydrophobicContact CG-CG 4.3Å; L5-Q9 WeakPolarHBondContact O-CG 3.34Å; L5-Q9 PolarHBondContact O-N 3.49Å; Q9-H11 VanDerWaalsContact C-N 3.3Å; Q9-H11 PolarHBondContact O-N 3.21Å; Q9-P12 WeakPolarHBondContact O-CD 3.18Å; Q9-P12 WeakPolarHBondContact O-CG 3.29Å; Q9-Y84 PolarHBondContact NE2-OH 3.45Å; Q9-Y84 VanDerWaalsContact NE2-OH 3.11Å; Q9-Y89 HydrophobicContact CG-CE1 4.07Å; Q9-Y89 HydrophobicContact CG-CE2 4.38Å |
| 10 | R | 85.9 | Confident | 83.8 | Confident | 198 Ų | 198 | 68.6 Ų | 68.6 | 75% | 0.747 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67 | -32.4 | 179.5 | -165.3 | 175.2 | -176.5 | 153.3 | 0.9 | 112.6 | P6 V7 | P6-R10 WeakPolarHBondContact O-CB 3.49Å; P6-R10 PolarHBondContact O-N 2.95Å; P6-R10 VanDerWaalsContact O-N 3.15Å; V7-R10 PolarHBondContact O-N 3.5Å |
| 11 | H | 87.1 | Confident | 84.3 | Confident | 104 Ų | 104 | 69.6 Ų | 69.6 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | trans | -137.3 | 73.5 | 179.3 | -58.2 | -65.6 | 0 | 0 | 0 | 112 | V7 L8 Q9 G13 M14 S15 | V7-H11 PolarHBondContact O-N 3.29Å; L8-H11 CarbonylContact O-C 3.32Å; L8-H11 VanDerWaalsContact O-C 3.32Å; Q9-H11 VanDerWaalsContact C-N 3.3Å; Q9-H11 PolarHBondContact O-N 3.21Å; H11-G13 PolarHBondContact O-N 3.04Å; H11-M14 HydrophobicContact CB-CB 3.92Å; H11-M14 HydrophobicContact CB-CG 4.08Å; H11-M14 PolarHBondContact O-N 3.31Å; H11-S15 PolarHBondContact O-N 3.1Å; H11-S15 PolarHBondContact O-OG 3.43Å | ||
| 12 | P | 86.3 | Confident | 85.6 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | -177.1 | -22.8 | 34.4 | 0 | 0 | 0 | 112.2 | L8 Q9 M14 S15 V16 L133 Y134 | L8-P12 WeakPolarHBondContact O-CA 3.42Å; Q9-P12 WeakPolarHBondContact O-CD 3.18Å; Q9-P12 WeakPolarHBondContact O-CG 3.29Å; P12-M14 PolarHBondContact O-N 3.46Å; P12-S15 WeakPolarHBondContact O-CB 3.24Å; P12-S15 PolarHBondContact O-N 3.29Å; P12-V16 WeakPolarHBondContact O-CG2 3.38Å; P12-V16 PolarHBondContact O-N 3.22Å; P12-L133 HydrophobicContact CB-CB 4.13Å; P12-Y134 HydrophobicContact CB-CD1 4.32Å; P12-Y134 HydrophobicContact CB-CE1 4.15Å; P12-Y134 HydrophobicContact CG-CD1 4.03Å; P12-Y134 HydrophobicContact CG-CE1 4.09Å |
| 13 | G | 87.3 | Confident | 86.3 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H11 S15 V16 L17 Y134 | H11-G13 PolarHBondContact O-N 3.04Å; G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.04Å; G13-V16 PolarHBondContact O-N 3.39Å; G13-L17 WeakPolarHBondContact O-CB 3.28Å; G13-L17 PolarHBondContact O-N 2.97Å; G13-Y134 WeakPolarHBondContact CA-OH 3.19Å; G13-Y134 PolarHBondContact N-OH 2.78Å |
| 14 | M | 88.8 | Confident | 87 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 176.5 | -66 | -58.2 | -65.9 | 0 | 0 | 111.6 | H11 P12 L17 V18 | H11-M14 HydrophobicContact CB-CB 3.92Å; H11-M14 HydrophobicContact CB-CG 4.08Å; H11-M14 PolarHBondContact O-N 3.31Å; P12-M14 PolarHBondContact O-N 3.46Å; M14-L17 HydrophobicContact CE-CD2 4.47Å; M14-L17 PolarHBondContact O-N 2.91Å; M14-V18 WeakPolarHBondContact O-CG2 3.24Å; M14-V18 PolarHBondContact O-N 3.15Å |
| 15 | S | 90.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | L8 H11 P12 G13 L17 V18 C19 | L8-S15 WeakPolarHBondContact CA-OG 3.44Å; L8-S15 VanDerWaalsContact CD2-OG 3.28Å; L8-S15 WeakPolarHBondContact CD2-OG 3.38Å; L8-S15 PolarHBondContact O-OG 3.14Å; H11-S15 PolarHBondContact O-N 3.1Å; H11-S15 PolarHBondContact O-OG 3.43Å; P12-S15 WeakPolarHBondContact O-CB 3.24Å; P12-S15 PolarHBondContact O-N 3.29Å; G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.04Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.3Å; S15-V18 PolarHBondContact O-N 2.87Å; S15-C19 PolarHBondContact O-N 3.42Å; S15-C19 PolarHBondContact O-SG 3.43Å; S15-C19 VanDerWaalsContact O-SG 3.36Å |
| 16 | V | 93 | Very high | 87.8 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | P12 G13 C19 A20 G97 V100 L130 L133 | P12-V16 WeakPolarHBondContact O-CG2 3.38Å; P12-V16 PolarHBondContact O-N 3.22Å; G13-V16 PolarHBondContact O-N 3.39Å; V16-C19 PolarHBondContact O-N 2.88Å; V16-A20 WeakPolarHBondContact O-CB 3.36Å; V16-A20 PolarHBondContact O-N 3.35Å; V16-G97 WeakPolarHBondContact O-CA 3.19Å; V16-V100 HydrophobicContact CG1-CG2 4.1Å; V16-L130 HydrophobicContact CG2-CD2 4.25Å; V16-L133 HydrophobicContact CG2-CD1 3.72Å |
| 17 | L | 92.6 | Very high | 88.3 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 177.2 | -173.6 | 115.5 | 0 | 0 | 0 | 112.1 | G13 M14 S15 C19 A20 L21 | G13-L17 WeakPolarHBondContact O-CB 3.28Å; G13-L17 PolarHBondContact O-N 2.97Å; M14-L17 HydrophobicContact CE-CD2 4.47Å; M14-L17 PolarHBondContact O-N 2.91Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.3Å; L17-C19 VanDerWaalsContact C-N 3.34Å; L17-C19 PolarHBondContact O-N 3.37Å; L17-A20 WeakPolarHBondContact O-CB 3.32Å; L17-A20 PolarHBondContact O-N 3.01Å; L17-L21 HydrophobicContact CD2-CD1 4.08Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.07Å |
| 18 | V | 92.4 | Very high | 88.7 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.4 | 170 | 0 | 0 | 0 | 0 | 110.4 | M14 S15 A20 L21 M22 | M14-V18 WeakPolarHBondContact O-CG2 3.24Å; M14-V18 PolarHBondContact O-N 3.15Å; S15-V18 PolarHBondContact O-N 2.87Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.39Å; V18-L21 PolarHBondContact O-N 2.7Å; V18-M22 WeakPolarHBondContact O-CG 3.44Å; V18-M22 PolarHBondContact O-N 3.32Å |
| 19 | C | 92.6 | Very high | 89.1 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | S15 V16 L17 L21 M22 F23 | S15-C19 PolarHBondContact O-N 3.42Å; S15-C19 PolarHBondContact O-SG 3.43Å; S15-C19 VanDerWaalsContact O-SG 3.36Å; V16-C19 PolarHBondContact O-N 2.88Å; L17-C19 VanDerWaalsContact C-N 3.34Å; L17-C19 PolarHBondContact O-N 3.37Å; C19-L21 VanDerWaalsContact C-N 3.33Å; C19-L21 PolarHBondContact O-N 2.95Å; C19-M22 WeakPolarHBondContact O-CB 3.31Å; C19-M22 PolarHBondContact O-N 3.13Å; C19-F23 WeakPolarHBondContact O-CD2 3.5Å; C19-F23 PolarHBondContact O-N 3.18Å |
| 20 | A | 92.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V16 L17 V18 F23 R24 G97 V100 Q101 | V16-A20 WeakPolarHBondContact O-CB 3.36Å; V16-A20 PolarHBondContact O-N 3.35Å; L17-A20 WeakPolarHBondContact O-CB 3.32Å; L17-A20 PolarHBondContact O-N 3.01Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.39Å; A20-F23 PolarHBondContact O-N 2.98Å; A20-R24 PolarHBondContact O-N 3.1Å; A20-G97 VanDerWaalsContact CA-O 3.28Å; A20-G97 WeakPolarHBondContact CA-O 3.2Å; A20-G97 VanDerWaalsContact CB-O 3.26Å; A20-G97 WeakPolarHBondContact CB-O 3.48Å; A20-V100 HydrophobicContact CB-CB 4.37Å; A20-V100 HydrophobicContact CB-CG1 4.23Å; A20-Q101 HydrophobicContact CB-CB 4.29Å |
| 21 | L | 92.6 | Very high | 88.7 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 174.9 | -67.9 | 174.7 | 0 | 0 | 0 | 111.9 | L17 V18 C19 R24 V25 | L17-L21 HydrophobicContact CD2-CD1 4.08Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.07Å; V18-L21 PolarHBondContact O-N 2.7Å; C19-L21 VanDerWaalsContact C-N 3.33Å; C19-L21 PolarHBondContact O-N 2.95Å; L21-R24 WeakPolarHBondContact O-CB 3.46Å; L21-R24 PolarHBondContact O-N 2.98Å; L21-R24 VanDerWaalsContact O-N 3.16Å; L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 2.83Å |
| 22 | M | 91.5 | Very high | 88.4 | Confident | 128 Ų | 128 | 65.2 Ų | 65.2 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 174 | -70.4 | -63.7 | -67.7 | 0 | 0 | 111.6 | V18 C19 R24 V25 A26 | V18-M22 WeakPolarHBondContact O-CG 3.44Å; V18-M22 PolarHBondContact O-N 3.32Å; C19-M22 WeakPolarHBondContact O-CB 3.31Å; C19-M22 PolarHBondContact O-N 3.13Å; M22-R24 VanDerWaalsContact C-N 3.3Å; M22-R24 PolarHBondContact O-N 3.08Å; M22-V25 PolarHBondContact O-N 3.35Å; M22-A26 PolarHBondContact O-N 2.74Å |
| 23 | F | 89.9 | Confident | 88 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -33.7 | 173.6 | -86.1 | -76.4 | 0 | 0 | 0 | 112.5 | C19 A20 V25 A26 H27 V54 H58 I94 Y98 Q101 | C19-F23 WeakPolarHBondContact O-CD2 3.5Å; C19-F23 PolarHBondContact O-N 3.18Å; A20-F23 PolarHBondContact O-N 2.98Å; F23-V25 VanDerWaalsContact C-N 3.32Å; F23-V25 PolarHBondContact O-N 3.42Å; F23-A26 PolarHBondContact O-N 2.94Å; F23-H27 WeakPolarHBondContact O-CB 3.45Å; F23-H27 PolarHBondContact O-N 3.43Å; F23-V54 HydrophobicContact CD1-CG1 4.32Å; F23-H58 HydrophobicContact CE1-CB 4.08Å; F23-H58 HydrophobicContact CZ-CB 4.44Å; F23-H58 AromaticContact CZ-ND1 3.89Å; F23-I94 HydrophobicContact CE2-CG2 3.79Å; F23-I94 WeakPolarHBondContact CE2-O 3.36Å; F23-I94 HydrophobicContact CZ-CG2 4.08Å; F23-Y98 AromaticContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CG 4.49Å; F23-Y98 AromaticContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CG 4.36Å; F23-Y98 HydrophobicContact CG-CD2 4.24Å; F23-Y98 HydrophobicContact CZ-CD2 4.4Å; F23-Y98 HydrophobicContact CZ-CG 4.45Å; F23-Q101 HydrophobicContact CB-CB 4.13Å; F23-Q101 HydrophobicContact CB-CG 4.05Å |
| 24 | R | 89.6 | Confident | 87.6 | Confident | 133 Ų | 133 | 73.9 Ų | 73.9 | 50% | 0.502 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 173.5 | -169.5 | 177 | -172.5 | -175.4 | 2.2 | 112.1 | A20 L21 M22 R28 Q101 | A20-R24 PolarHBondContact O-N 3.1Å; L21-R24 WeakPolarHBondContact O-CB 3.46Å; L21-R24 PolarHBondContact O-N 2.98Å; L21-R24 VanDerWaalsContact O-N 3.16Å; M22-R24 VanDerWaalsContact C-N 3.3Å; M22-R24 PolarHBondContact O-N 3.08Å; R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.91Å; R24-R28 VanDerWaalsContact O-N 3.16Å; R24-Q101 HydrophobicContact CB-CG 4.18Å |
| 25 | V | 89.3 | Confident | 87.3 | Confident | 79 Ų | 79 | 70 Ų | 70 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | L21 M22 F23 H27 R28 L29 | L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 2.83Å; M22-V25 PolarHBondContact O-N 3.35Å; F23-V25 VanDerWaalsContact C-N 3.32Å; F23-V25 PolarHBondContact O-N 3.42Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.48Å; V25-R28 WeakPolarHBondContact O-CB 3.46Å; V25-R28 PolarHBondContact O-N 3.23Å; V25-R28 VanDerWaalsContact O-N 3.11Å; V25-L29 HydrophobicContact CG1-CD1 4.2Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CG 3.21Å; V25-L29 PolarHBondContact O-N 2.66Å |
| 26 | A | 86.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M22 F23 R28 L29 L30 | M22-A26 PolarHBondContact O-N 2.74Å; F23-A26 PolarHBondContact O-N 2.94Å; A26-R28 PolarHBondContact O-N 2.95Å; A26-L29 PolarHBondContact O-N 3.45Å; A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 3.49Å |
| 27 | H | 87.3 | Confident | 86.3 | Confident | 10 Ų | 10 | 80.2 Ų | 80.2 | 5% | 0.046 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.2 | -49 | 174.1 | -175.6 | 114.7 | 0 | 0 | 0 | 110.8 | F23 V25 L29 L30 Q31 V54 D105 | F23-H27 WeakPolarHBondContact O-CB 3.45Å; F23-H27 PolarHBondContact O-N 3.43Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.48Å; H27-L29 VanDerWaalsContact C-N 3.33Å; H27-L29 PolarHBondContact O-N 3.08Å; H27-L30 PolarHBondContact O-N 2.89Å; H27-Q31 PolarHBondContact CD2-NE2 2.92Å; H27-Q31 PolarHBondContact NE2-NE2 3.04Å; H27-Q31 WeakPolarHBondContact O-CG 3.35Å; H27-Q31 PolarHBondContact O-N 3.15Å; H27-V54 HydrophobicContact CB-CG2 3.94Å; H27-V54 WeakPolarHBondContact ND1-CG2 3.41Å; H27-D105 IonicContact CE1-OD1 3.44Å; H27-D105 IonicContact CE1-OD2 3.42Å |
| 28 | R | 86.1 | Confident | 85.5 | Confident | 147 Ų | 147 | 77.8 Ų | 77.8 | 56% | 0.555 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 177.3 | -72.2 | 179.1 | 179.6 | -179.9 | -0.5 | 112.7 | R24 V25 A26 Q31 | R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.91Å; R24-R28 VanDerWaalsContact O-N 3.16Å; V25-R28 WeakPolarHBondContact O-CB 3.46Å; V25-R28 PolarHBondContact O-N 3.23Å; V25-R28 VanDerWaalsContact O-N 3.11Å; A26-R28 PolarHBondContact O-N 2.95Å; R28-Q31 WeakPolarHBondContact O-CB 3.39Å; R28-Q31 PolarHBondContact O-N 3.44Å |
| 29 | L | 85.6 | Confident | 84.9 | Confident | 112 Ų | 112 | 73.9 Ų | 73.9 | 59% | 0.586 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.9 | -41.3 | 176.9 | -67.1 | 173.5 | 0 | 0 | 0 | 111.4 | V25 A26 H27 Q31 N32 | V25-L29 HydrophobicContact CG1-CD1 4.2Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CG 3.21Å; V25-L29 PolarHBondContact O-N 2.66Å; A26-L29 PolarHBondContact O-N 3.45Å; H27-L29 VanDerWaalsContact C-N 3.33Å; H27-L29 PolarHBondContact O-N 3.08Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.46Å; L29-N32 WeakPolarHBondContact O-CB 3.49Å; L29-N32 PolarHBondContact O-N 3.31Å; L29-N32 VanDerWaalsContact O-N 3.16Å |
| 30 | L | 82.3 | Confident | 84.3 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.1 | -25.6 | 177.7 | -72.9 | 167 | 0 | 0 | 0 | 112.8 | A26 H27 N32 L33 V54 V57 | A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 3.49Å; H27-L30 PolarHBondContact O-N 2.89Å; L30-N32 PolarHBondContact O-N 3.14Å; L30-L33 HydrophobicContact CD2-CD1 3.59Å; L30-L33 WeakPolarHBondContact O-CB 3.1Å; L30-L33 PolarHBondContact O-N 3.45Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-V54 HydrophobicContact CD1-CB 4.29Å; L30-V54 HydrophobicContact CD1-CG2 3.8Å; L30-V57 HydrophobicContact CD1-CG2 4.08Å; L30-V57 HydrophobicContact CD2-CG2 4.44Å |
| 31 | Q | 79.2 | Confident | 83.6 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.6 | 173.5 | -72.2 | 178.5 | -11.2 | 0 | 0 | 113.4 | H27 R28 L29 L33 | H27-Q31 PolarHBondContact CD2-NE2 2.92Å; H27-Q31 PolarHBondContact NE2-NE2 3.04Å; H27-Q31 WeakPolarHBondContact O-CG 3.35Å; H27-Q31 PolarHBondContact O-N 3.15Å; R28-Q31 WeakPolarHBondContact O-CB 3.39Å; R28-Q31 PolarHBondContact O-N 3.44Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.46Å; Q31-L33 VanDerWaalsContact C-N 3.26Å; Q31-L33 PolarHBondContact O-N 3.03Å |
| 32 | N | 79.7 | Confident | 83 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.7 | 176.7 | -61.6 | -29.7 | 0 | 0 | 0 | 113.1 | L29 L30 | L29-N32 WeakPolarHBondContact O-CB 3.49Å; L29-N32 PolarHBondContact O-N 3.31Å; L29-N32 VanDerWaalsContact O-N 3.16Å; L30-N32 PolarHBondContact O-N 3.14Å |
| 33 | L | 78.9 | Confident | 82.6 | Confident | 100 Ų | 100 | 80 Ų | 80 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -74.9 | 144.9 | 178.7 | -66 | 176.5 | 0 | 0 | 0 | 111.4 | L30 Q31 V35 | L30-L33 HydrophobicContact CD2-CD1 3.59Å; L30-L33 WeakPolarHBondContact O-CB 3.1Å; L30-L33 PolarHBondContact O-N 3.45Å; L30-L33 VanDerWaalsContact O-N 3.12Å; Q31-L33 VanDerWaalsContact C-N 3.26Å; Q31-L33 PolarHBondContact O-N 3.03Å; L33-V35 PolarHBondContact O-N 3.5Å |
| 34 | P | 77.2 | Confident | 82.2 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -64 | 128.3 | 179.2 | 25.9 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 35 | V | 82.6 | Confident | 81.9 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 133.2 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | L33 K37 V39 A40 | L33-V35 PolarHBondContact O-N 3.5Å; V35-K37 PolarHBondContact O-N 3.28Å; V35-V39 HydrophobicContact CG1-CB 3.74Å; V35-V39 HydrophobicContact CG1-CG1 3.62Å; V35-A40 HydrophobicContact CG1-CB 4.4Å |
| 36 | P | 83.1 | Confident | 81.7 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 140.4 | 177.3 | -24.8 | 33.1 | 0 | 0 | 0 | 111.8 | A38 V39 A40 W49 | P36-A38 PolarHBondContact O-N 3.04Å; P36-A38 VanDerWaalsContact O-N 3.09Å; P36-V39 HydrophobicContact CB-CG2 4.13Å; P36-V39 HydrophobicContact CG-CG2 4.3Å; P36-V39 WeakPolarHBondContact O-CA 3.28Å; P36-V39 WeakPolarHBondContact O-CB 3.46Å; P36-V39 PolarHBondContact O-N 3.41Å; P36-A40 PolarHBondContact O-N 3.39Å; P36-W49 HydrophobicContact CG-CH2 3.58Å; P36-W49 HydrophobicContact CG-CZ2 3.62Å; P36-W49 HydrophobicContact CG-CZ3 4.05Å |
| 37 | K | 80.3 | Confident | 81.6 | Confident | 192 Ų | 192 | 76.7 Ų | 76.7 | 84% | 0.835 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.4 | -179.8 | -67 | -176.7 | 179.2 | -179.7 | 0 | 113 | V35 V39 A40 V41 | V35-K37 PolarHBondContact O-N 3.28Å; K37-V39 PolarHBondContact O-N 2.92Å; K37-A40 PolarHBondContact O-N 2.93Å; K37-V41 WeakPolarHBondContact O-CG2 3.27Å |
| 38 | A | 76.1 | Confident | 81.6 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 34% | 0.339 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P36 R45 | P36-A38 PolarHBondContact O-N 3.04Å; P36-A38 VanDerWaalsContact O-N 3.09Å; A38-R45 PolarHBondContact O-NH1 3.21Å |
| 39 | V | 79.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -36.5 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | V35 P36 K37 V41 D42 R45 S46 W49 L163 | V35-V39 HydrophobicContact CG1-CB 3.74Å; V35-V39 HydrophobicContact CG1-CG1 3.62Å; P36-V39 HydrophobicContact CB-CG2 4.13Å; P36-V39 HydrophobicContact CG-CG2 4.3Å; P36-V39 WeakPolarHBondContact O-CA 3.28Å; P36-V39 WeakPolarHBondContact O-CB 3.46Å; P36-V39 PolarHBondContact O-N 3.41Å; K37-V39 PolarHBondContact O-N 2.92Å; V39-V41 PolarHBondContact O-N 3.25Å; V39-D42 PolarHBondContact O-N 3.09Å; V39-R45 HydrophobicContact CG1-CB 4.16Å; V39-R45 WeakPolarHBondContact CG1-O 3.46Å; V39-S46 PolarHBondContact O-OG 3.39Å; V39-W49 HydrophobicContact CG1-CB 3.66Å; V39-W49 HydrophobicContact CG1-CD2 4.44Å; V39-W49 HydrophobicContact CG1-CG 4.11Å; V39-W49 HydrophobicContact CG2-CD2 4.42Å; V39-W49 HydrophobicContact CG2-CE3 3.87Å; V39-W49 HydrophobicContact CG2-CZ3 4.31Å; V39-L163 HydrophobicContact CG2-CB 4.29Å; V39-L163 WeakPolarHBondContact CG2-O 3.49Å |
| 40 | A | 79.4 | Confident | 81.8 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -5.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V35 P36 K37 D42 S46 | V35-A40 HydrophobicContact CG1-CB 4.4Å; P36-A40 PolarHBondContact O-N 3.39Å; K37-A40 PolarHBondContact O-N 2.93Å; A40-D42 VanDerWaalsContact C-N 3.34Å; A40-S46 WeakPolarHBondContact CA-OG 3.37Å |
| 41 | V | 77.4 | Confident | 82.1 | Confident | 124 Ų | 124 | 72.4 Ų | 72.4 | 75% | 0.752 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -24.8 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | K37 V39 | K37-V41 WeakPolarHBondContact O-CG2 3.27Å; V39-V41 PolarHBondContact O-N 3.25Å |
| 42 | D | 81.3 | Confident | 82.5 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | trans | -131.5 | 130 | -175.8 | 171.4 | 42.5 | 0 | 0 | 0 | 110.4 | V39 A40 F44 R45 S46 | V39-D42 PolarHBondContact O-N 3.09Å; A40-D42 VanDerWaalsContact C-N 3.34Å; D42-F44 VanDerWaalsContact C-N 3.27Å; D42-F44 PolarHBondContact O-N 3.04Å; D42-F44 PolarHBondContact OD1-N 2.89Å; D42-R45 HydrophobicContact CB-CB 4.09Å; D42-R45 HydrophobicContact CB-CG 4.17Å; D42-R45 PolarHBondContact O-N 3.45Å; D42-R45 VanDerWaalsContact OD2-CG 3.24Å; D42-R45 WeakPolarHBondContact OD2-CG 3.38Å; D42-R45 PolarHBondContact OD2-N 3.3Å; D42-S46 WeakPolarHBondContact O-CB 3.21Å; D42-S46 PolarHBondContact O-N 2.93Å; D42-S46 PolarHBondContact O-OG 3.08Å | ||
| 43 | D | 82.3 | Confident | 83 | Confident | 144 Ų | 144 | 64.1 Ų | 64.1 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.3 | -38.1 | -178.2 | -72 | -28.9 | 0 | 0 | 0 | 111 | S46 W47 | D43-S46 PolarHBondContact O-N 3.32Å; D43-W47 WeakPolarHBondContact O-CB 3.44Å; D43-W47 PolarHBondContact O-N 2.85Å |
| 44 | F | 81.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 31% | 0.307 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 177.5 | 176.3 | -107.9 | 0 | 0 | 0 | 111.8 | D42 S46 W47 K48 H111 | D42-F44 VanDerWaalsContact C-N 3.27Å; D42-F44 PolarHBondContact O-N 3.04Å; D42-F44 PolarHBondContact OD1-N 2.89Å; F44-S46 VanDerWaalsContact C-N 3.3Å; F44-S46 PolarHBondContact O-N 3.09Å; F44-W47 HydrophobicContact CD2-CE3 4.23Å; F44-W47 HydrophobicContact CE2-CE3 4.1Å; F44-W47 HydrophobicContact CE2-CZ3 4.06Å; F44-W47 PolarHBondContact O-N 2.86Å; F44-K48 HydrophobicContact CE1-CD 4.33Å; F44-K48 HydrophobicContact CZ-CD 4.38Å; F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 3.35Å; F44-K48 PolarHBondContact O-N 3.11Å; F44-H111 AromaticContact CD2-CD2 3.49Å; F44-H111 VanDerWaalsContact CD2-CD2 3.49Å; F44-H111 WeakPolarHBondContact CD2-CD2 3.47Å; F44-H111 AromaticContact CD2-NE2 3.56Å; F44-H111 AromaticContact CE2-CD2 3.56Å |
| 45 | R | 83.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 54 Ų | 54 | 25% | 0.253 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 174 | -74.1 | 173.3 | 97.1 | -162.6 | 5.4 | 112.3 | A38 V39 D42 K48 W49 L163 | A38-R45 PolarHBondContact O-NH1 3.21Å; V39-R45 HydrophobicContact CG1-CB 4.16Å; V39-R45 WeakPolarHBondContact CG1-O 3.46Å; D42-R45 HydrophobicContact CB-CB 4.09Å; D42-R45 HydrophobicContact CB-CG 4.17Å; D42-R45 PolarHBondContact O-N 3.45Å; D42-R45 VanDerWaalsContact OD2-CG 3.24Å; D42-R45 WeakPolarHBondContact OD2-CG 3.38Å; D42-R45 PolarHBondContact OD2-N 3.3Å; R45-K48 PolarHBondContact O-N 3.3Å; R45-W49 WeakPolarHBondContact O-CB 3.46Å; R45-W49 PolarHBondContact O-N 3.48Å; R45-L163 HydrophobicContact CG-CD2 4.16Å; R45-L163 PolarHBondContact NH2-O 3.15Å |
| 46 | S | 85.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.3 | -64 | 0 | 0 | 0 | 0 | 112.2 | V39 A40 D42 D43 F44 W49 R50 | V39-S46 PolarHBondContact O-OG 3.39Å; A40-S46 WeakPolarHBondContact CA-OG 3.37Å; D42-S46 WeakPolarHBondContact O-CB 3.21Å; D42-S46 PolarHBondContact O-N 2.93Å; D42-S46 PolarHBondContact O-OG 3.08Å; D43-S46 PolarHBondContact O-N 3.32Å; F44-S46 VanDerWaalsContact C-N 3.3Å; F44-S46 PolarHBondContact O-N 3.09Å; S46-W49 PolarHBondContact O-N 3.28Å; S46-R50 WeakPolarHBondContact O-CG 3.43Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.14Å |
| 47 | W | 85.5 | Confident | 85.3 | Confident | 36 Ų | 36 | 55 Ų | 55 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 171.9 | 171.2 | 78.9 | 0 | 0 | 0 | 111 | D43 F44 W49 R50 N51 D105 I106 T109 H111 | D43-W47 WeakPolarHBondContact O-CB 3.44Å; D43-W47 PolarHBondContact O-N 2.85Å; F44-W47 HydrophobicContact CD2-CE3 4.23Å; F44-W47 HydrophobicContact CE2-CE3 4.1Å; F44-W47 HydrophobicContact CE2-CZ3 4.06Å; F44-W47 PolarHBondContact O-N 2.86Å; W47-W49 VanDerWaalsContact C-N 3.31Å; W47-W49 PolarHBondContact O-N 2.88Å; W47-R50 WeakPolarHBondContact O-CB 3.25Å; W47-R50 PolarHBondContact O-N 3.28Å; W47-R50 VanDerWaalsContact O-N 3.08Å; W47-N51 HydrophobicContact CZ2-CB 4.35Å; W47-N51 PolarHBondContact O-N 3.03Å; W47-D105 PolarHBondContact NE1-OD2 2.92Å; W47-I106 HydrophobicContact CH2-CG1 4.14Å; W47-I106 HydrophobicContact CZ2-CG1 4.08Å; W47-T109 PolarHBondContact NE1-OG1 3.46Å; W47-H111 AromaticContact CD2-CE1 3.71Å; W47-H111 AromaticContact CD2-ND1 3.57Å; W47-H111 AromaticContact CE2-ND1 3.58Å; W47-H111 AromaticContact CE3-CE1 3.96Å; W47-H111 AromaticContact CE3-CG 3.89Å; W47-H111 AromaticContact CE3-ND1 3.8Å; W47-H111 AromaticContact CG-CE1 3.9Å; W47-H111 HydrophobicContact CH2-CB 3.7Å; W47-H111 AromaticContact CH2-CG 3.91Å; W47-H111 HydrophobicContact CZ2-CB 4.13Å; W47-H111 AromaticContact CZ2-ND1 3.85Å; W47-H111 HydrophobicContact CZ3-CB 3.91Å; W47-H111 AromaticContact CZ3-CG 3.77Å |
| 48 | K | 86 | Confident | 86 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.6 | -39.2 | -179.2 | -168.9 | 170.1 | -176 | 165.7 | 0 | 112.4 | F44 R45 L52 L163 | F44-K48 HydrophobicContact CE1-CD 4.33Å; F44-K48 HydrophobicContact CZ-CD 4.38Å; F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 3.35Å; F44-K48 PolarHBondContact O-N 3.11Å; R45-K48 PolarHBondContact O-N 3.3Å; K48-L52 WeakPolarHBondContact O-CB 3.48Å; K48-L52 PolarHBondContact O-N 2.94Å; K48-L163 HydrophobicContact CB-CD1 4.38Å; K48-L163 HydrophobicContact CD-CD1 4.39Å; K48-L163 HydrophobicContact CD-CD2 4.39Å; K48-L163 HydrophobicContact CG-CD1 4.08Å |
| 49 | W | 88.4 | Confident | 86.9 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 174.1 | 175.4 | -83.8 | 0 | 0 | 0 | 112.2 | P36 V39 R45 S46 W47 L52 S53 M160 L163 A164 | P36-W49 HydrophobicContact CG-CH2 3.58Å; P36-W49 HydrophobicContact CG-CZ2 3.62Å; P36-W49 HydrophobicContact CG-CZ3 4.05Å; V39-W49 HydrophobicContact CG1-CB 3.66Å; V39-W49 HydrophobicContact CG1-CD2 4.44Å; V39-W49 HydrophobicContact CG1-CG 4.11Å; V39-W49 HydrophobicContact CG2-CD2 4.42Å; V39-W49 HydrophobicContact CG2-CE3 3.87Å; V39-W49 HydrophobicContact CG2-CZ3 4.31Å; R45-W49 WeakPolarHBondContact O-CB 3.46Å; R45-W49 PolarHBondContact O-N 3.48Å; S46-W49 PolarHBondContact O-N 3.28Å; W47-W49 VanDerWaalsContact C-N 3.31Å; W47-W49 PolarHBondContact O-N 2.88Å; W49-L52 PolarHBondContact O-N 3.01Å; W49-S53 WeakPolarHBondContact O-CB 3.19Å; W49-S53 PolarHBondContact O-N 3.31Å; W49-S53 PolarHBondContact O-OG 3.49Å; W49-M160 HydrophobicContact CD2-CE 3.99Å; W49-M160 HydrophobicContact CE3-CB 4.29Å; W49-M160 HydrophobicContact CE3-CE 4.17Å; W49-M160 HydrophobicContact CE3-CG 4.44Å; W49-M160 HydrophobicContact CH2-CB 4.24Å; W49-M160 HydrophobicContact CH2-CE 3.65Å; W49-M160 HydrophobicContact CZ2-CE 3.42Å; W49-M160 VanDerWaalsContact CZ2-CE 3.42Å; W49-M160 HydrophobicContact CZ3-CB 3.78Å; W49-M160 HydrophobicContact CZ3-CE 4.02Å; W49-M160 HydrophobicContact CZ3-CG 4.32Å; W49-M160 WeakPolarHBondContact CZ3-O 3.2Å; W49-L163 HydrophobicContact CE3-CB 4.27Å; W49-A164 HydrophobicContact CZ3-CB 4.15Å |
| 50 | R | 88.1 | Confident | 87.7 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 178.3 | -70.6 | 168.9 | 175.2 | -148 | -1.6 | 110.8 | S46 W47 L52 S53 V54 | S46-R50 WeakPolarHBondContact O-CG 3.43Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.14Å; W47-R50 WeakPolarHBondContact O-CB 3.25Å; W47-R50 PolarHBondContact O-N 3.28Å; W47-R50 VanDerWaalsContact O-N 3.08Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.47Å; R50-S53 WeakPolarHBondContact O-CB 3.48Å; R50-S53 PolarHBondContact O-N 3.36Å; R50-S53 VanDerWaalsContact O-N 3.1Å; R50-V54 WeakPolarHBondContact O-CG2 3.39Å; R50-V54 PolarHBondContact O-N 3Å |
| 51 | N | 88 | Confident | 88.5 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 177.7 | -160.3 | 84.8 | 0 | 0 | 0 | 110.9 | W47 S53 V54 S55 D102 D105 | W47-N51 HydrophobicContact CZ2-CB 4.35Å; W47-N51 PolarHBondContact O-N 3.03Å; N51-S53 PolarHBondContact O-N 2.95Å; N51-V54 PolarHBondContact O-N 3.12Å; N51-S55 PolarHBondContact O-N 3.34Å; N51-S55 PolarHBondContact O-OG 3.34Å; N51-S55 VanDerWaalsContact O-OG 3.05Å; N51-D102 PolarHBondContact ND2-OD1 3.33Å; N51-D102 PolarHBondContact OD1-OD1 2.9Å; N51-D102 VanDerWaalsContact OD1-OD1 3.09Å; N51-D105 PolarHBondContact OD1-OD2 3.22Å |
| 52 | L | 88.3 | Confident | 89.4 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -29.6 | 179.5 | -166.6 | 65.6 | 0 | 0 | 0 | 113.3 | K48 W49 R50 M56 H156 L159 M160 L163 | K48-L52 WeakPolarHBondContact O-CB 3.48Å; K48-L52 PolarHBondContact O-N 2.94Å; W49-L52 PolarHBondContact O-N 3.01Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.47Å; L52-M56 WeakPolarHBondContact O-CB 3.09Å; L52-M56 PolarHBondContact O-N 3.37Å; L52-H156 HydrophobicContact CD1-CB 3.93Å; L52-H156 WeakPolarHBondContact CD1-ND1 3.07Å; L52-H156 HydrophobicContact CG-CB 4.29Å; L52-L159 HydrophobicContact CD1-CB 4.37Å; L52-L159 HydrophobicContact CD1-CD2 4.34Å; L52-L159 HydrophobicContact CD2-CB 3.5Å; L52-M160 HydrophobicContact CB-CG 4.44Å; L52-M160 HydrophobicContact CD2-CB 4.23Å; L52-M160 HydrophobicContact CD2-CG 3.32Å; L52-M160 HydrophobicContact CG-CG 3.76Å; L52-L163 HydrophobicContact CD2-CD1 4.14Å |
| 53 | S | 90.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.3 | -39.7 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | W49 R50 N51 M56 V57 M160 | W49-S53 WeakPolarHBondContact O-CB 3.19Å; W49-S53 PolarHBondContact O-N 3.31Å; W49-S53 PolarHBondContact O-OG 3.49Å; R50-S53 WeakPolarHBondContact O-CB 3.48Å; R50-S53 PolarHBondContact O-N 3.36Å; R50-S53 VanDerWaalsContact O-N 3.1Å; N51-S53 PolarHBondContact O-N 2.95Å; S53-M56 WeakPolarHBondContact O-CB 3.35Å; S53-M56 PolarHBondContact O-N 2.92Å; S53-V57 WeakPolarHBondContact O-CG2 3.48Å; S53-V57 PolarHBondContact O-N 3.34Å; S53-V57 VanDerWaalsContact O-N 3.11Å; S53-M160 WeakPolarHBondContact OG-CE 3.03Å |
| 54 | V | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 173.9 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | F23 H27 L30 R50 N51 M56 V57 H58 Y98 | F23-V54 HydrophobicContact CD1-CG1 4.32Å; H27-V54 HydrophobicContact CB-CG2 3.94Å; H27-V54 WeakPolarHBondContact ND1-CG2 3.41Å; L30-V54 HydrophobicContact CD1-CB 4.29Å; L30-V54 HydrophobicContact CD1-CG2 3.8Å; R50-V54 WeakPolarHBondContact O-CG2 3.39Å; R50-V54 PolarHBondContact O-N 3Å; N51-V54 PolarHBondContact O-N 3.12Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 3.35Å; V54-V57 PolarHBondContact O-N 2.91Å; V54-H58 PolarHBondContact O-N 3.37Å; V54-Y98 HydrophobicContact CG1-CE2 4.19Å |
| 55 | S | 92.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -41.3 | 174.7 | -45.1 | 0 | 0 | 0 | 0 | 111.9 | N51 V57 H58 S59 Y98 H156 | N51-S55 PolarHBondContact O-N 3.34Å; N51-S55 PolarHBondContact O-OG 3.34Å; N51-S55 VanDerWaalsContact O-OG 3.05Å; S55-V57 PolarHBondContact O-N 2.85Å; S55-H58 WeakPolarHBondContact O-CB 3.39Å; S55-H58 PolarHBondContact O-N 3.41Å; S55-S59 PolarHBondContact O-N 3.26Å; S55-S59 PolarHBondContact O-OG 3.49Å; S55-S59 VanDerWaalsContact O-OG 3.1Å; S55-Y98 WeakPolarHBondContact CA-OH 3.03Å; S55-Y98 WeakPolarHBondContact CB-OH 3.45Å; S55-Y98 PolarHBondContact OG-OH 3.47Å; S55-H156 WeakPolarHBondContact CB-NE2 3.47Å |
| 56 | M | 93.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 33 Ų | 33 | 16% | 0.158 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.2 | -175.2 | 67.4 | 173.7 | 0 | 0 | 112.3 | L52 S53 V54 H58 S59 L60 V153 H156 L157 | L52-M56 WeakPolarHBondContact O-CB 3.09Å; L52-M56 PolarHBondContact O-N 3.37Å; S53-M56 WeakPolarHBondContact O-CB 3.35Å; S53-M56 PolarHBondContact O-N 2.92Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 3.35Å; M56-H58 VanDerWaalsContact C-N 3.35Å; M56-S59 PolarHBondContact O-N 2.96Å; M56-L60 HydrophobicContact CE-CD1 4.17Å; M56-L60 HydrophobicContact CE-CG 4.38Å; M56-L60 HydrophobicContact CG-CD1 4.19Å; M56-L60 WeakPolarHBondContact O-CB 3.28Å; M56-L60 WeakPolarHBondContact O-CG 3.34Å; M56-L60 PolarHBondContact O-N 3.5Å; M56-V153 HydrophobicContact CE-CG1 3.56Å; M56-V153 HydrophobicContact SD-CG1 4.08Å; M56-V153 VanDerWaalsContact SD-O 3.38Å; M56-H156 HydrophobicContact CB-CB 4.34Å; M56-H156 HydrophobicContact SD-CB 3.82Å; M56-L157 HydrophobicContact CE-CB 4.25Å |
| 57 | V | 93.1 | Very high | 92.8 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 39% | 0.388 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L30 S53 V54 S55 L61 | L30-V57 HydrophobicContact CD1-CG2 4.08Å; L30-V57 HydrophobicContact CD2-CG2 4.44Å; S53-V57 WeakPolarHBondContact O-CG2 3.48Å; S53-V57 PolarHBondContact O-N 3.34Å; S53-V57 VanDerWaalsContact O-N 3.11Å; V54-V57 PolarHBondContact O-N 2.91Å; S55-V57 PolarHBondContact O-N 2.85Å; V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 PolarHBondContact O-N 2.94Å |
| 58 | H | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -56.3 | 174.5 | 170.8 | 74.9 | 0 | 0 | 0 | 111.3 | F23 V54 S55 M56 L60 L61 T62 Y98 E149 | F23-H58 HydrophobicContact CE1-CB 4.08Å; F23-H58 HydrophobicContact CZ-CB 4.44Å; F23-H58 AromaticContact CZ-ND1 3.89Å; V54-H58 PolarHBondContact O-N 3.37Å; S55-H58 WeakPolarHBondContact O-CB 3.39Å; S55-H58 PolarHBondContact O-N 3.41Å; M56-H58 VanDerWaalsContact C-N 3.35Å; H58-L60 VanDerWaalsContact C-N 3.29Å; H58-L60 PolarHBondContact O-N 3.21Å; H58-L61 WeakPolarHBondContact O-CB 3.22Å; H58-L61 PolarHBondContact O-N 2.96Å; H58-T62 WeakPolarHBondContact CE1-CG2 3.33Å; H58-T62 PolarHBondContact CE1-OG1 3.29Å; H58-T62 PolarHBondContact NE2-OG1 2.71Å; H58-T62 PolarHBondContact O-N 3.39Å; H58-T62 PolarHBondContact O-OG1 2.67Å; H58-Y98 HydrophobicContact CB-CD1 4.06Å; H58-Y98 HydrophobicContact CB-CD2 3.54Å; H58-Y98 HydrophobicContact CB-CE1 4.13Å; H58-Y98 HydrophobicContact CB-CE2 3.6Å; H58-Y98 HydrophobicContact CB-CG 3.78Å; H58-Y98 AromaticContact CD2-CD1 3.36Å; H58-Y98 WeakPolarHBondContact CD2-CD1 3.47Å; H58-Y98 AromaticContact CD2-CE1 3.46Å; H58-Y98 VanDerWaalsContact CD2-CE1 3.46Å; H58-Y98 WeakPolarHBondContact CD2-CE1 3.25Å; H58-Y98 AromaticContact CD2-CG 3.92Å; H58-Y98 AromaticContact CE1-CD1 3.55Å; H58-Y98 AromaticContact CE1-CG 3.79Å; H58-Y98 AromaticContact CG-CD1 3.32Å; H58-Y98 AromaticContact CG-CD2 3.69Å; H58-Y98 AromaticContact CG-CE1 3.66Å; H58-Y98 AromaticContact CG-CE2 3.98Å; H58-Y98 AromaticContact CG-CG 3.35Å; H58-Y98 AromaticContact CG-CZ 3.98Å; H58-Y98 WeakPolarHBondContact ND1-CB 3.38Å; H58-Y98 AromaticContact ND1-CD1 3.45Å; H58-Y98 WeakPolarHBondContact ND1-CD1 3.4Å; H58-Y98 AromaticContact ND1-CD2 3.94Å; H58-Y98 AromaticContact ND1-CG 3.27Å; H58-Y98 VanDerWaalsContact ND1-CG 3.27Å; H58-Y98 AromaticContact NE2-CD1 3.54Å; H58-Y98 AromaticContact NE2-CE1 3.99Å; H58-E149 IonicContact CD2-OE2 3.85Å |
| 59 | S | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | -177.2 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | S55 M56 G63 E149 S152 H156 | S55-S59 PolarHBondContact O-N 3.26Å; S55-S59 PolarHBondContact O-OG 3.49Å; S55-S59 VanDerWaalsContact O-OG 3.1Å; M56-S59 PolarHBondContact O-N 2.96Å; S59-G63 WeakPolarHBondContact O-CA 3.37Å; S59-G63 PolarHBondContact O-N 3.22Å; S59-E149 WeakPolarHBondContact CA-OE2 3.3Å; S59-E149 VanDerWaalsContact CB-OE2 3.25Å; S59-E149 WeakPolarHBondContact CB-OE2 3.5Å; S59-E149 PolarHBondContact OG-OE2 3.18Å; S59-S152 VanDerWaalsContact OG-CB 3.24Å; S59-S152 WeakPolarHBondContact OG-CB 3.4Å; S59-H156 PolarHBondContact OG-CD2 2.9Å; S59-H156 PolarHBondContact OG-NE2 3.43Å |
| 60 | L | 95.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 32.6 Ų | 32.6 | 42% | 0.419 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.6 | -47.2 | 173.9 | -79.8 | 169.6 | 0 | 0 | 0 | 111.2 | M56 H58 T64 V153 | M56-L60 HydrophobicContact CE-CD1 4.17Å; M56-L60 HydrophobicContact CE-CG 4.38Å; M56-L60 HydrophobicContact CG-CD1 4.19Å; M56-L60 WeakPolarHBondContact O-CB 3.28Å; M56-L60 WeakPolarHBondContact O-CG 3.34Å; M56-L60 PolarHBondContact O-N 3.5Å; H58-L60 VanDerWaalsContact C-N 3.29Å; H58-L60 PolarHBondContact O-N 3.21Å; L60-T64 WeakPolarHBondContact O-CB 3.28Å; L60-T64 WeakPolarHBondContact O-CG2 3.35Å; L60-T64 PolarHBondContact O-N 3.49Å; L60-T64 PolarHBondContact O-OG1 3.39Å; L60-V153 HydrophobicContact CD2-CB 4.5Å; L60-V153 HydrophobicContact CD2-CG1 3.68Å; L60-V153 HydrophobicContact CD2-CG2 3.9Å; L60-V153 HydrophobicContact CG-CG1 4.22Å; L60-V153 HydrophobicContact CG-CG2 4.02Å |
| 61 | L | 96.1 | Very high | 94.5 | Very high | 70 Ų | 70 | 34.6 Ų | 34.6 | 37% | 0.366 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.2 | -51.2 | 179.5 | 177 | 64.6 | 0 | 0 | 0 | 111.4 | V57 H58 T64 W65 I94 | V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 PolarHBondContact O-N 2.94Å; H58-L61 WeakPolarHBondContact O-CB 3.22Å; H58-L61 PolarHBondContact O-N 2.96Å; L61-T64 PolarHBondContact O-OG1 3.29Å; L61-T64 VanDerWaalsContact O-OG1 3.11Å; L61-W65 HydrophobicContact CD1-CE3 4.03Å; L61-W65 HydrophobicContact CD1-CZ3 4.42Å; L61-W65 HydrophobicContact CG-CE3 4.33Å; L61-W65 WeakPolarHBondContact O-CB 3.25Å; L61-W65 PolarHBondContact O-N 2.84Å; L61-I94 HydrophobicContact CD2-CG2 4.18Å |
| 62 | T | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -82.8 | -33.5 | -169.2 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | H58 A66 L91 I94 S95 | H58-T62 WeakPolarHBondContact CE1-CG2 3.33Å; H58-T62 PolarHBondContact CE1-OG1 3.29Å; H58-T62 PolarHBondContact NE2-OG1 2.71Å; H58-T62 PolarHBondContact O-N 3.39Å; H58-T62 PolarHBondContact O-OG1 2.67Å; T62-A66 WeakPolarHBondContact O-CB 3.45Å; T62-A66 PolarHBondContact O-N 2.94Å; T62-L91 HydrophobicContact CG2-CD1 3.77Å; T62-I94 HydrophobicContact CG2-CG2 4.47Å; T62-S95 WeakPolarHBondContact CG2-OG 3.37Å |
| 63 | G | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S59 M67 | S59-G63 WeakPolarHBondContact O-CA 3.37Å; S59-G63 PolarHBondContact O-N 3.22Å; G63-M67 PolarHBondContact O-N 2.98Å |
| 64 | T | 96.9 | Very high | 95.4 | Very high | 82 Ų | 82 | 43.3 Ų | 43.3 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -45 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | L60 L61 A66 M67 T68 | L60-T64 WeakPolarHBondContact O-CB 3.28Å; L60-T64 WeakPolarHBondContact O-CG2 3.35Å; L60-T64 PolarHBondContact O-N 3.49Å; L60-T64 PolarHBondContact O-OG1 3.39Å; L61-T64 PolarHBondContact O-OG1 3.29Å; L61-T64 VanDerWaalsContact O-OG1 3.11Å; T64-A66 PolarHBondContact O-N 3.18Å; T64-M67 PolarHBondContact O-N 3.32Å; T64-T68 PolarHBondContact O-N 2.84Å; T64-T68 PolarHBondContact O-OG1 3.41Å; T64-T68 VanDerWaalsContact O-OG1 3.07Å |
| 65 | W | 97.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.7 | -164 | -21.7 | 0 | 0 | 0 | 111.8 | M1 L61 M67 T68 C69 M90 L91 I94 | M1-W65 HydrophobicContact SD-CZ2 3.94Å; L61-W65 HydrophobicContact CD1-CE3 4.03Å; L61-W65 HydrophobicContact CD1-CZ3 4.42Å; L61-W65 HydrophobicContact CG-CE3 4.33Å; L61-W65 WeakPolarHBondContact O-CB 3.25Å; L61-W65 PolarHBondContact O-N 2.84Å; W65-M67 VanDerWaalsContact C-N 3.33Å; W65-M67 PolarHBondContact O-N 3.03Å; W65-T68 PolarHBondContact O-N 3.02Å; W65-C69 WeakPolarHBondContact O-CB 3.47Å; W65-C69 PolarHBondContact O-N 3.04Å; W65-M90 HydrophobicContact CZ2-CB 4.38Å; W65-L91 HydrophobicContact CB-CD1 4Å; W65-L91 HydrophobicContact CB-CD2 4.38Å; W65-L91 HydrophobicContact CD2-CB 4.44Å; W65-L91 HydrophobicContact CD2-CD1 4.25Å; W65-L91 HydrophobicContact CE3-CD1 4.44Å; W65-L91 HydrophobicContact CG-CB 4.49Å; W65-L91 HydrophobicContact CG-CD1 4.07Å; W65-L91 HydrophobicContact CG-CD2 4.32Å; W65-I94 HydrophobicContact CE3-CD1 4.43Å; W65-I94 HydrophobicContact CH2-CD1 3.65Å; W65-I94 HydrophobicContact CZ3-CD1 3.44Å; W65-I94 VanDerWaalsContact CZ3-CD1 3.44Å |
| 66 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T62 T64 C69 V70 L91 V143 L146 F147 | T62-A66 WeakPolarHBondContact O-CB 3.45Å; T62-A66 PolarHBondContact O-N 2.94Å; T64-A66 PolarHBondContact O-N 3.18Å; A66-C69 PolarHBondContact O-N 2.98Å; A66-V70 PolarHBondContact O-N 3.09Å; A66-L91 HydrophobicContact CB-CD2 3.87Å; A66-V143 HydrophobicContact CB-CG1 4.22Å; A66-L146 HydrophobicContact CB-CB 4.04Å; A66-F147 HydrophobicContact CB-CD1 3.92Å; A66-F147 HydrophobicContact CB-CE1 4.04Å |
| 67 | M | 96.8 | Very high | 95.6 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.2 | -74.8 | -175.9 | 52.6 | 0 | 0 | 111.8 | G63 T64 W65 C69 V70 I71 V150 F186 | G63-M67 PolarHBondContact O-N 2.98Å; T64-M67 PolarHBondContact O-N 3.32Å; W65-M67 VanDerWaalsContact C-N 3.33Å; W65-M67 PolarHBondContact O-N 3.03Å; M67-C69 VanDerWaalsContact C-N 3.31Å; M67-C69 PolarHBondContact O-N 3.47Å; M67-V70 PolarHBondContact O-N 2.98Å; M67-I71 WeakPolarHBondContact O-CB 3.43Å; M67-I71 WeakPolarHBondContact O-CD1 3.34Å; M67-I71 VanDerWaalsContact O-CG1 3.24Å; M67-I71 WeakPolarHBondContact O-CG1 3.33Å; M67-I71 PolarHBondContact O-N 3.49Å; M67-V150 HydrophobicContact CG-CG2 4.1Å; M67-V150 HydrophobicContact SD-CG1 4.47Å; M67-V150 HydrophobicContact SD-CG2 3.77Å; M67-F186 HydrophobicContact CG-CE1 4.39Å; M67-F186 HydrophobicContact SD-CE1 3.82Å; M67-F186 HydrophobicContact SD-CZ 4.09Å |
| 68 | T | 96.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | T64 W65 V70 I71 I72 | T64-T68 PolarHBondContact O-N 2.84Å; T64-T68 PolarHBondContact O-OG1 3.41Å; T64-T68 VanDerWaalsContact O-OG1 3.07Å; W65-T68 PolarHBondContact O-N 3.02Å; T68-V70 PolarHBondContact O-N 3.05Å; T68-I71 PolarHBondContact O-N 3.23Å; T68-I72 HydrophobicContact CG2-CD1 3.56Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.33Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.3Å; T68-I72 PolarHBondContact O-N 3.05Å |
| 69 | C | 96.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 176.4 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | W65 A66 M67 I72 S73 L76 V143 | W65-C69 WeakPolarHBondContact O-CB 3.47Å; W65-C69 PolarHBondContact O-N 3.04Å; A66-C69 PolarHBondContact O-N 2.98Å; M67-C69 VanDerWaalsContact C-N 3.31Å; M67-C69 PolarHBondContact O-N 3.47Å; C69-I72 PolarHBondContact O-N 2.87Å; C69-S73 PolarHBondContact O-N 3.19Å; C69-L76 HydrophobicContact CB-CD1 3.68Å; C69-L76 WeakPolarHBondContact O-CD1 3.27Å; C69-V143 HydrophobicContact CB-CG1 4.28Å |
| 70 | V | 95.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.9 | -33.9 | -178.8 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | A66 M67 T68 S73 P74 L76 A77 V143 F147 | A66-V70 PolarHBondContact O-N 3.09Å; M67-V70 PolarHBondContact O-N 2.98Å; T68-V70 PolarHBondContact O-N 3.05Å; V70-S73 CarbonylContact O-C 3.3Å; V70-S73 VanDerWaalsContact O-C 3.3Å; V70-P74 VanDerWaalsContact O-CA 3.29Å; V70-P74 WeakPolarHBondContact O-CA 3.49Å; V70-P74 VanDerWaalsContact O-N 3.16Å; V70-L76 HydrophobicContact CG2-CB 4.06Å; V70-A77 HydrophobicContact CG1-CB 3.91Å; V70-V143 HydrophobicContact CG2-CG1 4.09Å; V70-F147 HydrophobicContact CB-CE1 4.38Å; V70-F147 HydrophobicContact CB-CZ 3.88Å; V70-F147 HydrophobicContact CG1-CZ 4.19Å; V70-F147 HydrophobicContact CG2-CE1 3.76Å; V70-F147 HydrophobicContact CG2-CZ 3.61Å |
| 71 | I | 95.9 | Very high | 95.2 | Very high | 127 Ų | 127 | 51 Ų | 51 | 65% | 0.651 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 175.5 | -70.1 | 165.5 | 0 | 0 | 0 | 111 | M67 T68 | M67-I71 WeakPolarHBondContact O-CB 3.43Å; M67-I71 WeakPolarHBondContact O-CD1 3.34Å; M67-I71 VanDerWaalsContact O-CG1 3.24Å; M67-I71 WeakPolarHBondContact O-CG1 3.33Å; M67-I71 PolarHBondContact O-N 3.49Å; T68-I71 PolarHBondContact O-N 3.23Å |
| 72 | I | 95.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 50.6 Ų | 50.6 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -76.7 | -38.1 | -180 | -66.4 | 173.6 | 0 | 0 | 0 | 111.3 | T68 C69 | T68-I72 HydrophobicContact CG2-CD1 3.56Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.33Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.3Å; T68-I72 PolarHBondContact O-N 3.05Å; C69-I72 PolarHBondContact O-N 2.87Å |
| 73 | S | 95.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | trans | -128.6 | 81.9 | -178.3 | -56 | 0 | 0 | 0 | 0 | 110.2 | C69 V70 E75 L76 | C69-S73 PolarHBondContact O-N 3.19Å; V70-S73 CarbonylContact O-C 3.3Å; V70-S73 VanDerWaalsContact O-C 3.3Å; S73-E75 PolarHBondContact O-N 3.1Å; S73-L76 WeakPolarHBondContact O-CB 3.49Å; S73-L76 PolarHBondContact O-N 2.74Å | ||
| 74 | P | 94.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -58.3 | -21.2 | -178.8 | -26.2 | 35.6 | 0 | 0 | 0 | 114.1 | V70 L76 A77 | V70-P74 VanDerWaalsContact O-CA 3.29Å; V70-P74 WeakPolarHBondContact O-CA 3.49Å; V70-P74 VanDerWaalsContact O-N 3.16Å; P74-L76 PolarHBondContact O-N 2.95Å; P74-L76 VanDerWaalsContact O-N 3.16Å; P74-A77 PolarHBondContact O-N 3.49Å |
| 75 | E | 94.4 | Very high | 94.7 | Very high | 107 Ų | 107 | 53.2 Ų | 53.2 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -56.3 | -25.2 | 173.1 | -69 | 168.3 | 169.6 | 0 | 0 | 112.9 | S73 A77 T78 N79 F83 | S73-E75 PolarHBondContact O-N 3.1Å; E75-A77 PolarHBondContact O-N 3.47Å; E75-T78 WeakPolarHBondContact CA-OG1 3.47Å; E75-T78 PolarHBondContact O-N 3.4Å; E75-N79 PolarHBondContact O-N 3.37Å; E75-F83 HydrophobicContact CB-CD1 3.55Å; E75-F83 HydrophobicContact CB-CD2 4.13Å; E75-F83 HydrophobicContact CB-CE1 3.47Å; E75-F83 VanDerWaalsContact CB-CE1 3.47Å; E75-F83 HydrophobicContact CB-CE2 4.06Å; E75-F83 HydrophobicContact CB-CG 3.88Å; E75-F83 HydrophobicContact CB-CZ 3.73Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.36Å; E75-F83 WeakPolarHBondContact OE2-CZ 3.48Å |
| 76 | L | 93.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -63.3 | -19 | 171.4 | -72.8 | 168.3 | 0 | 0 | 0 | 113.4 | C69 V70 S73 P74 I80 F83 A88 A140 | C69-L76 HydrophobicContact CB-CD1 3.68Å; C69-L76 WeakPolarHBondContact O-CD1 3.27Å; V70-L76 HydrophobicContact CG2-CB 4.06Å; S73-L76 WeakPolarHBondContact O-CB 3.49Å; S73-L76 PolarHBondContact O-N 2.74Å; P74-L76 PolarHBondContact O-N 2.95Å; P74-L76 VanDerWaalsContact O-N 3.16Å; L76-I80 WeakPolarHBondContact O-CD1 3.42Å; L76-F83 HydrophobicContact CD2-CD1 3.86Å; L76-F83 HydrophobicContact CD2-CE1 4.12Å; L76-F83 HydrophobicContact CG-CD1 3.92Å; L76-F83 HydrophobicContact CG-CE1 3.86Å; L76-A88 HydrophobicContact CD1-CB 4.22Å; L76-A88 HydrophobicContact CD2-CB 3.91Å; L76-A140 HydrophobicContact CB-CB 4.47Å; L76-A140 HydrophobicContact CD2-CB 3.91Å; L76-A140 WeakPolarHBondContact O-CB 3.35Å |
| 77 | A | 92.6 | Very high | 94.4 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -105.9 | -2.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V70 P74 E75 Y193 | V70-A77 HydrophobicContact CG1-CB 3.91Å; P74-A77 PolarHBondContact O-N 3.49Å; E75-A77 PolarHBondContact O-N 3.47Å; A77-Y193 PolarHBondContact O-OH 2.88Å |
| 78 | T | 92.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 66% | 0.656 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | -39.2 | -179.2 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | E75 | E75-T78 WeakPolarHBondContact CA-OG1 3.47Å; E75-T78 PolarHBondContact O-N 3.4Å |
| 79 | N | 93.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | trans | -104.8 | 71.9 | 176.5 | -175 | -2.9 | 0 | 0 | 0 | 110.8 | E75 H81 S82 F83 | E75-N79 PolarHBondContact O-N 3.37Å; N79-H81 VanDerWaalsContact C-N 3.31Å; N79-H81 PolarHBondContact O-N 3.27Å; N79-S82 PolarHBondContact ND2-OG 3.42Å; N79-S82 PolarHBondContact OD1-N 2.95Å; N79-S82 PolarHBondContact OD1-OG 2.93Å; N79-S82 VanDerWaalsContact OD1-OG 3.06Å; N79-F83 HydrophobicContact CB-CB 3.76Å; N79-F83 VanDerWaalsContact O-CB 3.28Å; N79-F83 WeakPolarHBondContact O-CB 3.45Å; N79-F83 PolarHBondContact O-N 3.48Å | ||
| 80 | I | 93.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -32.1 | -176.5 | -61.6 | -65.7 | 0 | 0 | 0 | 112.8 | L76 Y138 A140 V144 Y193 Y197 | L76-I80 WeakPolarHBondContact O-CD1 3.42Å; I80-Y138 HydrophobicContact CG2-CD1 4.48Å; I80-Y138 VanDerWaalsContact O-CA 3.32Å; I80-Y138 WeakPolarHBondContact O-CA 3.45Å; I80-A140 HydrophobicContact CD1-CB 4.25Å; I80-V144 HydrophobicContact CD1-CG2 4.02Å; I80-Y193 HydrophobicContact CD1-CE1 3.91Å; I80-Y193 HydrophobicContact CG1-CE1 4.13Å; I80-Y193 WeakPolarHBondContact CG1-OH 3.47Å; I80-Y197 HydrophobicContact CB-CD1 4.25Å; I80-Y197 HydrophobicContact CB-CD2 4.22Å; I80-Y197 HydrophobicContact CB-CE1 3.82Å; I80-Y197 HydrophobicContact CB-CE2 3.8Å; I80-Y197 HydrophobicContact CB-CG 4.44Å; I80-Y197 HydrophobicContact CG1-CD2 4.09Å; I80-Y197 HydrophobicContact CG1-CE2 4.07Å; I80-Y197 HydrophobicContact CG1-CG 4.4Å; I80-Y197 HydrophobicContact CG2-CD1 3.93Å; I80-Y197 HydrophobicContact CG2-CE1 3.64Å; I80-Y197 HydrophobicContact CG2-CE2 4.5Å; I80-Y197 HydrophobicContact CG2-CG 4.47Å |
| 81 | H | 92.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -50 | -172.5 | -179 | -89.2 | 0 | 0 | 0 | 113 | N79 Y138 Y197 W204 D206 | N79-H81 VanDerWaalsContact C-N 3.31Å; N79-H81 PolarHBondContact O-N 3.27Å; H81-Y138 HydrophobicContact CB-CE1 4.24Å; H81-Y138 AromaticContact CD2-CE1 3.46Å; H81-Y138 VanDerWaalsContact CD2-CE1 3.46Å; H81-Y138 WeakPolarHBondContact CD2-CE1 3.19Å; H81-Y138 AromaticContact CD2-CZ 3.58Å; H81-Y138 PolarHBondContact CD2-OH 3.13Å; H81-Y138 VanDerWaalsContact CD2-OH 3.25Å; H81-Y138 PolarHBondContact NE2-OH 3.41Å; H81-Y138 PolarHBondContact O-N 2.89Å; H81-Y197 PolarHBondContact N-OH 3.38Å; H81-W204 HydrophobicContact CB-CH2 4.23Å; H81-W204 HydrophobicContact CB-CZ3 4.02Å; H81-W204 AromaticContact CD2-CH2 3.55Å; H81-W204 AromaticContact CD2-CZ3 3.36Å; H81-W204 WeakPolarHBondContact CD2-CZ3 3.32Å; H81-W204 AromaticContact CE1-CH2 3.76Å; H81-W204 AromaticContact CG-CH2 3.58Å; H81-W204 AromaticContact CG-CZ3 3.62Å; H81-W204 AromaticContact ND1-CH2 3.7Å; H81-W204 AromaticContact NE2-CH2 3.7Å; H81-W204 AromaticContact NE2-CZ3 3.9Å; H81-D206 IonicContact CD2-OD2 4Å; H81-D206 IonicContact CE1-OD2 3.83Å; H81-D206 IonicContact NE2-OD2 2.96Å; H81-D206 PolarHBondContact NE2-OD2 3.42Å |
| 82 | S | 92.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 43% | 0.434 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -19.8 | -164.4 | 59.3 | 0 | 0 | 0 | 0 | 114.8 | N79 | N79-S82 PolarHBondContact ND2-OG 3.42Å; N79-S82 PolarHBondContact OD1-N 2.95Å; N79-S82 PolarHBondContact OD1-OG 2.93Å; N79-S82 VanDerWaalsContact OD1-OG 3.06Å |
| 83 | F | 94.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | trans | -81.4 | 135.8 | -173.6 | -173 | -101.6 | 0 | 0 | 0 | 112.1 | E75 L76 N79 T85 A140 | E75-F83 HydrophobicContact CB-CD1 3.55Å; E75-F83 HydrophobicContact CB-CD2 4.13Å; E75-F83 HydrophobicContact CB-CE1 3.47Å; E75-F83 VanDerWaalsContact CB-CE1 3.47Å; E75-F83 HydrophobicContact CB-CE2 4.06Å; E75-F83 HydrophobicContact CB-CG 3.88Å; E75-F83 HydrophobicContact CB-CZ 3.73Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.36Å; E75-F83 WeakPolarHBondContact OE2-CZ 3.48Å; L76-F83 HydrophobicContact CD2-CD1 3.86Å; L76-F83 HydrophobicContact CD2-CE1 4.12Å; L76-F83 HydrophobicContact CG-CD1 3.92Å; L76-F83 HydrophobicContact CG-CE1 3.86Å; N79-F83 HydrophobicContact CB-CB 3.76Å; N79-F83 VanDerWaalsContact O-CB 3.28Å; N79-F83 WeakPolarHBondContact O-CB 3.45Å; N79-F83 PolarHBondContact O-N 3.48Å; F83-T85 HydrophobicContact CE1-CG2 3.97Å; F83-T85 HydrophobicContact CZ-CG2 3.84Å; F83-A140 VanDerWaalsContact O-CB 3.23Å; F83-A140 WeakPolarHBondContact O-CB 3.1Å | ||
| 84 | Y | 93.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 33.4 Ų | 33.4 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | trans | -160.9 | 160.5 | 165.3 | 61.6 | -88.1 | 0 | 0 | 0 | 111.3 | Q9 Y89 H136 V139 | Q9-Y84 PolarHBondContact NE2-OH 3.45Å; Q9-Y84 VanDerWaalsContact NE2-OH 3.11Å; Y84-Y89 HydrophobicContact CD2-CD2 4.5Å; Y84-Y89 HydrophobicContact CE2-CD2 4.5Å; Y84-H136 HydrophobicContact CE1-CB 4.16Å; Y84-H136 VanDerWaalsContact CE1-O 3.28Å; Y84-H136 WeakPolarHBondContact CE1-O 3.11Å; Y84-V139 HydrophobicContact CD1-CB 4.3Å; Y84-V139 HydrophobicContact CD1-CG2 4.24Å; Y84-V139 HydrophobicContact CG-CB 4.1Å; Y84-V139 HydrophobicContact CG-CG1 4.21Å; Y84-V139 HydrophobicContact CG-CG2 4.27Å | ||
| 85 | T | 93.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | trans | -116 | 162.2 | 174 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | F83 P87 A88 Y89 | F83-T85 HydrophobicContact CE1-CG2 3.97Å; F83-T85 HydrophobicContact CZ-CG2 3.84Å; T85-P87 VanDerWaalsContact C-CD 3.45Å; T85-P87 VanDerWaalsContact C-N 3.32Å; T85-A88 WeakPolarHBondContact O-CB 3.48Å; T85-A88 PolarHBondContact O-N 3.02Å; T85-A88 VanDerWaalsContact O-N 3.09Å; T85-Y89 PolarHBondContact O-N 2.89Å | ||
| 86 | A | 93.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.6 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 E2 L5 A88 Y89 M90 | M1-A86 HydrophobicContact CB-CB 4.35Å; E2-A86 VanDerWaalsContact OE1-CB 3.26Å; E2-A86 WeakPolarHBondContact OE1-CB 3.46Å; L5-A86 HydrophobicContact CB-CB 3.98Å; L5-A86 HydrophobicContact CD1-CB 4.32Å; L5-A86 HydrophobicContact CD2-CB 3.86Å; L5-A86 HydrophobicContact CG-CB 4.27Å; A86-A88 PolarHBondContact O-N 3.22Å; A86-Y89 PolarHBondContact O-N 3.45Å; A86-M90 WeakPolarHBondContact O-CG 3.28Å; A86-M90 PolarHBondContact O-N 3.06Å |
| 87 | P | 94.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 24.5 Ų | 24.5 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 175.2 | -21.6 | 33.3 | 0 | 0 | 0 | 113.3 | M1 T85 M90 L91 | M1-P87 HydrophobicContact CE-CB 4.06Å; M1-P87 HydrophobicContact CE-CG 3.69Å; M1-P87 HydrophobicContact SD-CB 3.79Å; M1-P87 HydrophobicContact SD-CG 3.79Å; T85-P87 VanDerWaalsContact C-CD 3.45Å; T85-P87 VanDerWaalsContact C-N 3.32Å; P87-M90 PolarHBondContact O-N 3.34Å; P87-L91 WeakPolarHBondContact O-CB 3.49Å; P87-L91 PolarHBondContact O-N 3.43Å |
| 88 | A | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L76 T85 A86 M90 L91 I92 V139 V143 | L76-A88 HydrophobicContact CD1-CB 4.22Å; L76-A88 HydrophobicContact CD2-CB 3.91Å; T85-A88 WeakPolarHBondContact O-CB 3.48Å; T85-A88 PolarHBondContact O-N 3.02Å; T85-A88 VanDerWaalsContact O-N 3.09Å; A86-A88 PolarHBondContact O-N 3.22Å; A88-M90 PolarHBondContact O-N 3.39Å; A88-L91 WeakPolarHBondContact O-CB 3.26Å; A88-L91 PolarHBondContact O-N 2.83Å; A88-I92 WeakPolarHBondContact O-CG1 3.46Å; A88-I92 PolarHBondContact O-N 2.97Å; A88-I92 VanDerWaalsContact O-N 3.16Å; A88-V139 HydrophobicContact CB-CG1 4.3Å; A88-V143 HydrophobicContact CB-CG2 3.76Å |
| 89 | Y | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.8 | -168.1 | -88.9 | 0 | 0 | 0 | 111.9 | L5 L8 Q9 Y84 T85 A86 L91 I92 C93 L133 H136 V139 | L5-Y89 HydrophobicContact CD1-CD1 3.75Å; L5-Y89 HydrophobicContact CD1-CG 3.83Å; L8-Y89 HydrophobicContact CB-CD1 4.29Å; L8-Y89 HydrophobicContact CB-CE1 3.95Å; Q9-Y89 HydrophobicContact CG-CE1 4.07Å; Q9-Y89 HydrophobicContact CG-CE2 4.38Å; Y84-Y89 HydrophobicContact CD2-CD2 4.5Å; Y84-Y89 HydrophobicContact CE2-CD2 4.5Å; T85-Y89 PolarHBondContact O-N 2.89Å; A86-Y89 PolarHBondContact O-N 3.45Å; Y89-L91 VanDerWaalsContact C-N 3.35Å; Y89-L91 PolarHBondContact O-N 3.25Å; Y89-I92 PolarHBondContact O-N 3.43Å; Y89-C93 PolarHBondContact O-N 2.98Å; Y89-L133 HydrophobicContact CD1-CD2 4.26Å; Y89-L133 HydrophobicContact CD2-CD2 4.07Å; Y89-L133 HydrophobicContact CE1-CD2 3.85Å; Y89-L133 HydrophobicContact CE2-CD2 3.63Å; Y89-L133 HydrophobicContact CG-CD2 4.37Å; Y89-L133 PolarHBondContact OH-O 3Å; Y89-H136 AromaticContact CE2-ND1 3.57Å; Y89-H136 AromaticContact CZ-ND1 3.98Å; Y89-V139 HydrophobicContact CD2-CG1 4.5Å; Y89-V139 HydrophobicContact CD2-CG2 4.05Å |
| 90 | M | 95.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 18.4 Ų | 18.4 | 7% | 0.069 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.5 | -76.1 | -173.9 | -154.9 | 0 | 0 | 112.9 | M1 L4 L8 W65 A86 P87 A88 I92 C93 I94 | M1-M90 HydrophobicContact CB-CE 3.59Å; M1-M90 HydrophobicContact CB-SD 4.06Å; M1-M90 HydrophobicContact CG-CE 3.88Å; M1-M90 HydrophobicContact CG-SD 3.68Å; M1-M90 WeakPolarHBondContact O-CE 3.37Å; M1-M90 HydrophobicContact SD-SD 4.03Å; L4-M90 HydrophobicContact CB-CE 3.65Å; L4-M90 HydrophobicContact CD2-CE 4.04Å; L4-M90 HydrophobicContact CD2-SD 4.27Å; L4-M90 HydrophobicContact CG-CE 4.43Å; L8-M90 HydrophobicContact CD1-CE 3.96Å; L8-M90 HydrophobicContact CD1-CG 3.45Å; L8-M90 VanDerWaalsContact CD1-CG 3.45Å; L8-M90 HydrophobicContact CD1-SD 4.31Å; W65-M90 HydrophobicContact CZ2-CB 4.38Å; A86-M90 WeakPolarHBondContact O-CG 3.28Å; A86-M90 PolarHBondContact O-N 3.06Å; P87-M90 PolarHBondContact O-N 3.34Å; A88-M90 PolarHBondContact O-N 3.39Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 3.4Å; M90-C93 WeakPolarHBondContact O-CB 3.47Å; M90-C93 PolarHBondContact O-N 3.25Å; M90-I94 WeakPolarHBondContact O-CB 3.46Å; M90-I94 WeakPolarHBondContact O-CG1 3.44Å; M90-I94 PolarHBondContact O-N 2.95Å |
| 91 | L | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | 176.1 | 173 | 60.7 | 0 | 0 | 0 | 110.8 | T62 W65 A66 P87 A88 Y89 I94 S95 V143 L146 | T62-L91 HydrophobicContact CG2-CD1 3.77Å; W65-L91 HydrophobicContact CB-CD1 4Å; W65-L91 HydrophobicContact CB-CD2 4.38Å; W65-L91 HydrophobicContact CD2-CB 4.44Å; W65-L91 HydrophobicContact CD2-CD1 4.25Å; W65-L91 HydrophobicContact CE3-CD1 4.44Å; W65-L91 HydrophobicContact CG-CB 4.49Å; W65-L91 HydrophobicContact CG-CD1 4.07Å; W65-L91 HydrophobicContact CG-CD2 4.32Å; A66-L91 HydrophobicContact CB-CD2 3.87Å; P87-L91 WeakPolarHBondContact O-CB 3.49Å; P87-L91 PolarHBondContact O-N 3.43Å; A88-L91 WeakPolarHBondContact O-CB 3.26Å; A88-L91 PolarHBondContact O-N 2.83Å; Y89-L91 VanDerWaalsContact C-N 3.35Å; Y89-L91 PolarHBondContact O-N 3.25Å; L91-I94 PolarHBondContact O-N 3.48Å; L91-S95 WeakPolarHBondContact O-CB 3.46Å; L91-S95 PolarHBondContact O-N 2.85Å; L91-S95 PolarHBondContact O-OG 3.36Å; L91-S95 VanDerWaalsContact O-OG 3.05Å; L91-V143 HydrophobicContact CD2-CG1 4.38Å; L91-V143 HydrophobicContact CD2-CG2 4.35Å; L91-L146 HydrophobicContact CD1-CD1 4.04Å; L91-L146 HydrophobicContact CD2-CD1 3.97Å; L91-L146 HydrophobicContact CG-CD1 3.66Å |
| 92 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 177.2 | -54.6 | -44.1 | 0 | 0 | 0 | 111.9 | A88 Y89 M90 S95 S96 F129 L133 V139 A142 V143 L146 | A88-I92 WeakPolarHBondContact O-CG1 3.46Å; A88-I92 PolarHBondContact O-N 2.97Å; A88-I92 VanDerWaalsContact O-N 3.16Å; Y89-I92 PolarHBondContact O-N 3.43Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 3.4Å; I92-S95 PolarHBondContact O-N 3.24Å; I92-S96 VanDerWaalsContact O-CB 3.3Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.13Å; I92-S96 PolarHBondContact O-OG 3.01Å; I92-F129 HydrophobicContact CG2-CB 3.88Å; I92-F129 HydrophobicContact CG2-CD1 4.5Å; I92-F129 HydrophobicContact CG2-CD2 3.92Å; I92-F129 HydrophobicContact CG2-CG 3.87Å; I92-L133 HydrophobicContact CB-CD2 4Å; I92-L133 HydrophobicContact CG2-CD1 4.18Å; I92-L133 HydrophobicContact CG2-CD2 3.85Å; I92-L133 HydrophobicContact CG2-CG 3.84Å; I92-V139 HydrophobicContact CG1-CG1 4.14Å; I92-A142 HydrophobicContact CD1-CB 3.55Å; I92-A142 HydrophobicContact CG1-CB 3.91Å; I92-A142 HydrophobicContact CG2-CB 4.42Å; I92-V143 HydrophobicContact CD1-CG2 3.98Å; I92-V143 HydrophobicContact CG1-CG2 4.42Å; I92-L146 HydrophobicContact CD1-CD1 3.64Å |
| 93 | C | 96.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 173 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | Y89 M90 S96 G97 L133 | Y89-C93 PolarHBondContact O-N 2.98Å; M90-C93 WeakPolarHBondContact O-CB 3.47Å; M90-C93 PolarHBondContact O-N 3.25Å; C93-S96 PolarHBondContact O-N 2.99Å; C93-G97 PolarHBondContact O-N 3.33Å; C93-L133 VanDerWaalsContact SG-CD2 3.57Å |
| 94 | I | 95.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 15 Ų | 15 | 18% | 0.179 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 179.3 | -71.7 | 170.7 | 0 | 0 | 0 | 110 | F23 L61 T62 W65 M90 L91 G97 Y98 | F23-I94 HydrophobicContact CE2-CG2 3.79Å; F23-I94 WeakPolarHBondContact CE2-O 3.36Å; F23-I94 HydrophobicContact CZ-CG2 4.08Å; L61-I94 HydrophobicContact CD2-CG2 4.18Å; T62-I94 HydrophobicContact CG2-CG2 4.47Å; W65-I94 HydrophobicContact CE3-CD1 4.43Å; W65-I94 HydrophobicContact CH2-CD1 3.65Å; W65-I94 HydrophobicContact CZ3-CD1 3.44Å; W65-I94 VanDerWaalsContact CZ3-CD1 3.44Å; M90-I94 WeakPolarHBondContact O-CB 3.46Å; M90-I94 WeakPolarHBondContact O-CG1 3.44Å; M90-I94 PolarHBondContact O-N 2.95Å; L91-I94 PolarHBondContact O-N 3.48Å; I94-G97 PolarHBondContact O-N 2.84Å; I94-Y98 PolarHBondContact O-N 3.27Å |
| 95 | S | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | T62 L91 I92 G97 Y98 F99 L146 | T62-S95 WeakPolarHBondContact CG2-OG 3.37Å; L91-S95 WeakPolarHBondContact O-CB 3.46Å; L91-S95 PolarHBondContact O-N 2.85Å; L91-S95 PolarHBondContact O-OG 3.36Å; L91-S95 VanDerWaalsContact O-OG 3.05Å; I92-S95 PolarHBondContact O-N 3.24Å; S95-G97 VanDerWaalsContact C-N 3.3Å; S95-G97 PolarHBondContact O-N 2.9Å; S95-Y98 WeakPolarHBondContact O-CB 3.34Å; S95-Y98 PolarHBondContact O-N 2.85Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 3.38Å; S95-L146 WeakPolarHBondContact OG-CD1 3.21Å |
| 96 | S | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | I92 C93 Y98 F99 V100 L126 F129 | I92-S96 VanDerWaalsContact O-CB 3.3Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.13Å; I92-S96 PolarHBondContact O-OG 3.01Å; C93-S96 PolarHBondContact O-N 2.99Å; S96-Y98 PolarHBondContact O-N 3.46Å; S96-F99 PolarHBondContact O-N 3.33Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 2.89Å; S96-L126 WeakPolarHBondContact O-CD2 3.45Å; S96-F129 WeakPolarHBondContact OG-CB 3.36Å |
| 97 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V16 A20 C93 I94 S95 V100 Q101 | V16-G97 WeakPolarHBondContact O-CA 3.19Å; A20-G97 VanDerWaalsContact CA-O 3.28Å; A20-G97 WeakPolarHBondContact CA-O 3.2Å; A20-G97 VanDerWaalsContact CB-O 3.26Å; A20-G97 WeakPolarHBondContact CB-O 3.48Å; C93-G97 PolarHBondContact O-N 3.33Å; I94-G97 PolarHBondContact O-N 2.84Å; S95-G97 VanDerWaalsContact C-N 3.3Å; S95-G97 PolarHBondContact O-N 2.9Å; G97-V100 PolarHBondContact O-N 3.4Å; G97-Q101 WeakPolarHBondContact O-CB 3.48Å; G97-Q101 PolarHBondContact O-N 3.32Å |
| 98 | Y | 96 | Very high | 94.5 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -52 | 172.9 | 166.3 | -99.3 | 0 | 0 | 0 | 112 | F23 V54 S55 H58 I94 S95 S96 V100 Q101 D102 | F23-Y98 AromaticContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CG 4.49Å; F23-Y98 AromaticContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CG 4.36Å; F23-Y98 HydrophobicContact CG-CD2 4.24Å; F23-Y98 HydrophobicContact CZ-CD2 4.4Å; F23-Y98 HydrophobicContact CZ-CG 4.45Å; V54-Y98 HydrophobicContact CG1-CE2 4.19Å; S55-Y98 WeakPolarHBondContact CA-OH 3.03Å; S55-Y98 WeakPolarHBondContact CB-OH 3.45Å; S55-Y98 PolarHBondContact OG-OH 3.47Å; H58-Y98 HydrophobicContact CB-CD1 4.06Å; H58-Y98 HydrophobicContact CB-CD2 3.54Å; H58-Y98 HydrophobicContact CB-CE1 4.13Å; H58-Y98 HydrophobicContact CB-CE2 3.6Å; H58-Y98 HydrophobicContact CB-CG 3.78Å; H58-Y98 AromaticContact CD2-CD1 3.36Å; H58-Y98 WeakPolarHBondContact CD2-CD1 3.47Å; H58-Y98 AromaticContact CD2-CE1 3.46Å; H58-Y98 VanDerWaalsContact CD2-CE1 3.46Å; H58-Y98 WeakPolarHBondContact CD2-CE1 3.25Å; H58-Y98 AromaticContact CD2-CG 3.92Å; H58-Y98 AromaticContact CE1-CD1 3.55Å; H58-Y98 AromaticContact CE1-CG 3.79Å; H58-Y98 AromaticContact CG-CD1 3.32Å; H58-Y98 AromaticContact CG-CD2 3.69Å; H58-Y98 AromaticContact CG-CE1 3.66Å; H58-Y98 AromaticContact CG-CE2 3.98Å; H58-Y98 AromaticContact CG-CG 3.35Å; H58-Y98 AromaticContact CG-CZ 3.98Å; H58-Y98 WeakPolarHBondContact ND1-CB 3.38Å; H58-Y98 AromaticContact ND1-CD1 3.45Å; H58-Y98 WeakPolarHBondContact ND1-CD1 3.4Å; H58-Y98 AromaticContact ND1-CD2 3.94Å; H58-Y98 AromaticContact ND1-CG 3.27Å; H58-Y98 VanDerWaalsContact ND1-CG 3.27Å; H58-Y98 AromaticContact NE2-CD1 3.54Å; H58-Y98 AromaticContact NE2-CE1 3.99Å; I94-Y98 PolarHBondContact O-N 3.27Å; S95-Y98 WeakPolarHBondContact O-CB 3.34Å; S95-Y98 PolarHBondContact O-N 2.85Å; S96-Y98 PolarHBondContact O-N 3.46Å; Y98-V100 VanDerWaalsContact C-N 3.27Å; Y98-V100 PolarHBondContact O-N 2.93Å; Y98-Q101 PolarHBondContact O-N 2.7Å; Y98-D102 HydrophobicContact CE1-CB 4.38Å; Y98-D102 HydrophobicContact CE2-CB 4.19Å; Y98-D102 PolarHBondContact O-N 3.14Å; Y98-D102 PolarHBondContact OH-OD2 2.8Å |
| 99 | F | 95.8 | Very high | 94 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 2% | 0.022 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.7 | -37 | -178.1 | -71.3 | -58.5 | 0 | 0 | 0 | 112.5 | S95 S96 A103 H122 V125 L126 F129 | S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 3.38Å; S96-F99 PolarHBondContact O-N 3.33Å; F99-A103 WeakPolarHBondContact O-CB 3.38Å; F99-A103 PolarHBondContact O-N 3.43Å; F99-H122 AromaticContact CD1-CD2 3.48Å; F99-H122 VanDerWaalsContact CD1-CD2 3.48Å; F99-H122 WeakPolarHBondContact CD1-CD2 3.48Å; F99-H122 AromaticContact CD1-NE2 3.82Å; F99-H122 AromaticContact CE1-CD2 4Å; F99-V125 HydrophobicContact CD2-CG1 3.87Å; F99-V125 HydrophobicContact CE2-CG1 3.53Å; F99-V125 HydrophobicContact CZ-CG1 4.01Å; F99-L126 HydrophobicContact CB-CD1 4.09Å; F99-L126 HydrophobicContact CB-CD2 3.79Å; F99-L126 HydrophobicContact CB-CG 3.82Å; F99-F129 HydrophobicContact CD2-CE2 4.45Å; F99-F129 HydrophobicContact CE2-CD2 4.48Å; F99-F129 AromaticContact CE2-CE2 3.94Å; F99-F129 HydrophobicContact CE2-CE2 3.94Å |
| 100 | V | 95.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 172.9 | 170.7 | 0 | 0 | 0 | 0 | 111 | V16 A20 S96 G97 Y98 G104 L126 | V16-V100 HydrophobicContact CG1-CG2 4.1Å; A20-V100 HydrophobicContact CB-CB 4.37Å; A20-V100 HydrophobicContact CB-CG1 4.23Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 2.89Å; G97-V100 PolarHBondContact O-N 3.4Å; Y98-V100 VanDerWaalsContact C-N 3.27Å; Y98-V100 PolarHBondContact O-N 2.93Å; V100-G104 PolarHBondContact O-N 2.86Å; V100-L126 HydrophobicContact CG2-CD1 3.94Å; V100-L126 HydrophobicContact CG2-CD2 3.84Å |
| 101 | Q | 94.8 | Very high | 93 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -45.2 | -180 | -174 | -83.8 | -64.3 | 0 | 0 | 112 | A20 F23 R24 G97 Y98 G104 D105 | A20-Q101 HydrophobicContact CB-CB 4.29Å; F23-Q101 HydrophobicContact CB-CB 4.13Å; F23-Q101 HydrophobicContact CB-CG 4.05Å; R24-Q101 HydrophobicContact CB-CG 4.18Å; G97-Q101 WeakPolarHBondContact O-CB 3.48Å; G97-Q101 PolarHBondContact O-N 3.32Å; Y98-Q101 PolarHBondContact O-N 2.7Å; Q101-G104 PolarHBondContact O-N 3.33Å; Q101-D105 PolarHBondContact O-N 3.29Å |
| 102 | D | 93.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | -178.8 | -162.6 | 55.1 | 0 | 0 | 0 | 111.1 | N51 Y98 G104 D105 I106 H122 | N51-D102 PolarHBondContact ND2-OD1 3.33Å; N51-D102 PolarHBondContact OD1-OD1 2.9Å; N51-D102 VanDerWaalsContact OD1-OD1 3.09Å; Y98-D102 HydrophobicContact CE1-CB 4.38Å; Y98-D102 HydrophobicContact CE2-CB 4.19Å; Y98-D102 PolarHBondContact O-N 3.14Å; Y98-D102 PolarHBondContact OH-OD2 2.8Å; D102-G104 VanDerWaalsContact C-N 3.3Å; D102-G104 PolarHBondContact O-N 3.34Å; D102-D105 PolarHBondContact O-N 3.41Å; D102-I106 VanDerWaalsContact O-CG1 3.32Å; D102-I106 WeakPolarHBondContact O-CG1 3.21Å; D102-I106 PolarHBondContact O-N 3.42Å; D102-H122 IonicContact OD2-CE1 2.95Å; D102-H122 PolarHBondContact OD2-CE1 3.38Å; D102-H122 IonicContact OD2-NE2 2.86Å |
| 103 | A | 93.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | F99 I106 I107 L119 H122 | F99-A103 WeakPolarHBondContact O-CB 3.38Å; F99-A103 PolarHBondContact O-N 3.43Å; A103-I106 PolarHBondContact O-N 2.69Å; A103-I107 WeakPolarHBondContact O-CB 3.46Å; A103-I107 WeakPolarHBondContact O-CD1 3.48Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.49Å; A103-I107 PolarHBondContact O-N 2.94Å; A103-I107 VanDerWaalsContact O-N 3.08Å; A103-L119 HydrophobicContact CB-CD2 4.04Å; A103-H122 HydrophobicContact CB-CB 4.41Å |
| 104 | G | 92.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V100 Q101 D102 I107 L108 | V100-G104 PolarHBondContact O-N 2.86Å; Q101-G104 PolarHBondContact O-N 3.33Å; D102-G104 VanDerWaalsContact C-N 3.3Å; D102-G104 PolarHBondContact O-N 3.34Å; G104-I107 PolarHBondContact O-N 3.43Å; G104-L108 VanDerWaalsContact O-CB 3.28Å; G104-L108 WeakPolarHBondContact O-CB 3.36Å; G104-L108 WeakPolarHBondContact O-CG 3.24Å; G104-L108 PolarHBondContact O-N 3.39Å |
| 105 | D | 90.2 | Very high | 90.4 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 178.1 | -164.5 | 73.7 | 0 | 0 | 0 | 111.5 | H27 W47 N51 Q101 D102 I107 L108 T109 | H27-D105 IonicContact CE1-OD1 3.44Å; H27-D105 IonicContact CE1-OD2 3.42Å; W47-D105 PolarHBondContact NE1-OD2 2.92Å; N51-D105 PolarHBondContact OD1-OD2 3.22Å; Q101-D105 PolarHBondContact O-N 3.29Å; D102-D105 PolarHBondContact O-N 3.41Å; D105-I107 VanDerWaalsContact C-N 3.31Å; D105-I107 PolarHBondContact O-N 2.99Å; D105-L108 PolarHBondContact O-N 3.11Å; D105-T109 VanDerWaalsContact O-CB 3.29Å; D105-T109 WeakPolarHBondContact O-CB 3.49Å; D105-T109 WeakPolarHBondContact O-CG2 3.1Å; D105-T109 PolarHBondContact O-N 3.16Å; D105-T109 PolarHBondContact O-OG1 3.19Å |
| 106 | I | 88.4 | Confident | 90 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 178.5 | -66.3 | 166.5 | 0 | 0 | 0 | 111.5 | W47 D102 A103 T109 H111 A112 L119 | W47-I106 HydrophobicContact CH2-CG1 4.14Å; W47-I106 HydrophobicContact CZ2-CG1 4.08Å; D102-I106 VanDerWaalsContact O-CG1 3.32Å; D102-I106 WeakPolarHBondContact O-CG1 3.21Å; D102-I106 PolarHBondContact O-N 3.42Å; A103-I106 PolarHBondContact O-N 2.69Å; I106-T109 PolarHBondContact O-OG1 3.19Å; I106-H111 PolarHBondContact O-N 3.48Å; I106-H111 VanDerWaalsContact O-N 3.1Å; I106-A112 PolarHBondContact O-N 3.16Å; I106-L119 HydrophobicContact CB-CD2 4.17Å; I106-L119 HydrophobicContact CD1-CD2 4.37Å; I106-L119 HydrophobicContact CG2-CD1 4.09Å; I106-L119 HydrophobicContact CG2-CD2 4Å; I106-L119 HydrophobicContact CG2-CG 4.08Å |
| 107 | I | 90.9 | Very high | 89.6 | Confident | 98 Ų | 98 | 54 Ų | 54 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.3 | -49.6 | -179 | -67.5 | 166.5 | 0 | 0 | 0 | 110.8 | A103 G104 D105 T109 G110 A112 L119 | A103-I107 WeakPolarHBondContact O-CB 3.46Å; A103-I107 WeakPolarHBondContact O-CD1 3.48Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.49Å; A103-I107 PolarHBondContact O-N 2.94Å; A103-I107 VanDerWaalsContact O-N 3.08Å; G104-I107 PolarHBondContact O-N 3.43Å; D105-I107 VanDerWaalsContact C-N 3.31Å; D105-I107 PolarHBondContact O-N 2.99Å; I107-T109 VanDerWaalsContact C-N 3.34Å; I107-T109 PolarHBondContact O-N 3.44Å; I107-G110 PolarHBondContact O-N 3.2Å; I107-A112 HydrophobicContact CG1-CB 4.49Å; I107-L119 HydrophobicContact CD1-CD2 4.27Å; I107-L119 HydrophobicContact CG1-CD1 4.1Å; I107-L119 HydrophobicContact CG1-CD2 4.11Å |
| 108 | L | 89.6 | Confident | 89.2 | Confident | 148 Ų | 148 | 58.4 Ų | 58.4 | 78% | 0.775 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.5 | -26.5 | -173.9 | -66.3 | 174.2 | 0 | 0 | 0 | 113.1 | G104 D105 G110 | G104-L108 VanDerWaalsContact O-CB 3.28Å; G104-L108 WeakPolarHBondContact O-CB 3.36Å; G104-L108 WeakPolarHBondContact O-CG 3.24Å; G104-L108 PolarHBondContact O-N 3.39Å; D105-L108 PolarHBondContact O-N 3.11Å; L108-G110 VanDerWaalsContact C-N 3.27Å |
| 109 | T | 84.8 | Confident | 89 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.6 | 175.1 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | W47 D105 I106 I107 H111 | W47-T109 PolarHBondContact NE1-OG1 3.46Å; D105-T109 VanDerWaalsContact O-CB 3.29Å; D105-T109 WeakPolarHBondContact O-CB 3.49Å; D105-T109 WeakPolarHBondContact O-CG2 3.1Å; D105-T109 PolarHBondContact O-N 3.16Å; D105-T109 PolarHBondContact O-OG1 3.19Å; I106-T109 PolarHBondContact O-OG1 3.19Å; I107-T109 VanDerWaalsContact C-N 3.34Å; I107-T109 PolarHBondContact O-N 3.44Å; T109-H111 WeakPolarHBondContact CB-ND1 3.4Å; T109-H111 PolarHBondContact O-CE1 2.97Å; T109-H111 PolarHBondContact O-ND1 3.37Å; T109-H111 PolarHBondContact OG1-ND1 3.41Å |
| 110 | G | 85.4 | Confident | 88.9 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 6.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I107 L108 A112 | I107-G110 PolarHBondContact O-N 3.2Å; L108-G110 VanDerWaalsContact C-N 3.27Å; G110-A112 VanDerWaalsContact C-N 3.33Å; G110-A112 PolarHBondContact O-N 3.36Å |
| 111 | H | 85.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 21% | 0.213 | 33% | 0.334 | C | S | . | . | trans | -88.1 | 5 | -177.2 | -61.5 | 101.6 | 0 | 0 | 0 | 114.1 | F44 W47 I106 T109 R113 G114 S115 | F44-H111 AromaticContact CD2-CD2 3.49Å; F44-H111 VanDerWaalsContact CD2-CD2 3.49Å; F44-H111 WeakPolarHBondContact CD2-CD2 3.47Å; F44-H111 AromaticContact CD2-NE2 3.56Å; F44-H111 AromaticContact CE2-CD2 3.56Å; W47-H111 AromaticContact CD2-CE1 3.71Å; W47-H111 AromaticContact CD2-ND1 3.57Å; W47-H111 AromaticContact CE2-ND1 3.58Å; W47-H111 AromaticContact CE3-CE1 3.96Å; W47-H111 AromaticContact CE3-CG 3.89Å; W47-H111 AromaticContact CE3-ND1 3.8Å; W47-H111 AromaticContact CG-CE1 3.9Å; W47-H111 HydrophobicContact CH2-CB 3.7Å; W47-H111 AromaticContact CH2-CG 3.91Å; W47-H111 HydrophobicContact CZ2-CB 4.13Å; W47-H111 AromaticContact CZ2-ND1 3.85Å; W47-H111 HydrophobicContact CZ3-CB 3.91Å; W47-H111 AromaticContact CZ3-CG 3.77Å; I106-H111 PolarHBondContact O-N 3.48Å; I106-H111 VanDerWaalsContact O-N 3.1Å; T109-H111 WeakPolarHBondContact CB-ND1 3.4Å; T109-H111 PolarHBondContact O-CE1 2.97Å; T109-H111 PolarHBondContact O-ND1 3.37Å; T109-H111 PolarHBondContact OG1-ND1 3.41Å; H111-R113 VanDerWaalsContact C-N 3.32Å; H111-R113 PolarHBondContact O-N 3Å; H111-G114 PolarHBondContact O-N 3.33Å; H111-S115 PolarHBondContact O-N 3.03Å; H111-S115 VanDerWaalsContact O-N 3.15Å | ||
| 112 | A | 83.2 | Confident | 88.9 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -52.3 | -43 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I106 I107 G110 G114 S115 W116 L119 | I106-A112 PolarHBondContact O-N 3.16Å; I107-A112 HydrophobicContact CG1-CB 4.49Å; G110-A112 VanDerWaalsContact C-N 3.33Å; G110-A112 PolarHBondContact O-N 3.36Å; A112-G114 VanDerWaalsContact C-N 3.35Å; A112-G114 PolarHBondContact O-N 3.47Å; A112-S115 CarbonylContact O-C 3.49Å; A112-S115 PolarHBondContact O-N 3.5Å; A112-W116 WeakPolarHBondContact O-CA 3.25Å; A112-W116 PolarHBondContact O-N 3.29Å; A112-L119 HydrophobicContact CB-CD1 3.83Å |
| 113 | R | 82.1 | Confident | 89 | Confident | 235 Ų | 235 | 64.8 Ų | 64.8 | 89% | 0.887 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.2 | -37.8 | 179 | -72 | -175.4 | 176.1 | 174 | -0.4 | 112.5 | H111 S115 | H111-R113 VanDerWaalsContact C-N 3.32Å; H111-R113 PolarHBondContact O-N 3Å; R113-S115 VanDerWaalsContact C-N 3.29Å; R113-S115 PolarHBondContact O-N 3.25Å |
| 114 | G | 80.3 | Confident | 89.2 | Confident | 68 Ų | 68 | 65 Ų | 65 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -79.1 | -11 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | H111 A112 | H111-G114 PolarHBondContact O-N 3.33Å; A112-G114 VanDerWaalsContact C-N 3.35Å; A112-G114 PolarHBondContact O-N 3.47Å |
| 115 | S | 85.3 | Confident | 89.4 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 12% | 0.119 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -131.8 | 27 | -176.7 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | H111 A112 R113 E117 F118 L119 | H111-S115 PolarHBondContact O-N 3.03Å; H111-S115 VanDerWaalsContact O-N 3.15Å; A112-S115 CarbonylContact O-C 3.49Å; A112-S115 PolarHBondContact O-N 3.5Å; R113-S115 VanDerWaalsContact C-N 3.29Å; R113-S115 PolarHBondContact O-N 3.25Å; S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact O-N 3.05Å; S115-F118 WeakPolarHBondContact O-CB 3.24Å; S115-F118 PolarHBondContact O-N 2.73Å; S115-F118 VanDerWaalsContact O-N 3.08Å; S115-L119 PolarHBondContact O-N 3.5Å; S115-L119 VanDerWaalsContact O-N 3.09Å |
| 116 | W | 88.6 | Confident | 89.6 | Confident | 149 Ų | 149 | 64.3 Ų | 64.3 | 56% | 0.564 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -37.9 | -175 | 76.9 | -84 | 0 | 0 | 0 | 112.6 | A112 F118 L119 I120 | A112-W116 WeakPolarHBondContact O-CA 3.25Å; A112-W116 PolarHBondContact O-N 3.29Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 2.78Å; W116-L119 PolarHBondContact O-N 2.9Å; W116-I120 HydrophobicContact CE3-CD1 3.38Å; W116-I120 HydrophobicContact CE3-CG1 4.23Å; W116-I120 HydrophobicContact CH2-CD1 4.49Å; W116-I120 HydrophobicContact CZ3-CD1 3.26Å; W116-I120 HydrophobicContact CZ3-CG1 4.49Å; W116-I120 PolarHBondContact O-N 3.37Å |
| 117 | E | 89.9 | Confident | 89.9 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.3 | -59 | -179.3 | 160.3 | 0 | 0 | 110.8 | S115 I120 H121 M221 Y225 R228 | S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact O-N 3.05Å; E117-I120 PolarHBondContact O-N 3.32Å; E117-H121 PolarHBondContact O-N 3.44Å; E117-M221 WeakPolarHBondContact O-CE 3.5Å; E117-Y225 WeakPolarHBondContact CB-OH 3.23Å; E117-Y225 WeakPolarHBondContact OE2-CE1 3.28Å; E117-Y225 PolarHBondContact OE2-OH 3.24Å; E117-R228 IonicContact OE1-CZ 2.71Å; E117-R228 IonicContact OE1-NH1 3.63Å; E117-R228 PolarHBondContact OE1-NH1 3.12Å; E117-R228 VanDerWaalsContact OE1-NH1 3.13Å; E117-R228 IonicContact OE1-NH2 3.04Å; E117-R228 PolarHBondContact OE1-NH2 3.22Å; E117-R228 IonicContact OE2-CZ 3.88Å; E117-R228 IonicContact OE2-NH1 3.29Å; E117-R228 PolarHBondContact OE2-NH1 3.16Å; E117-R228 IonicContact OE2-NH2 3.82Å |
| 118 | F | 86.9 | Confident | 90.2 | Very high | 92 Ų | 92 | 67.3 Ų | 67.3 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 176.3 | -64.1 | -72.6 | 0 | 0 | 0 | 112.5 | S115 W116 H121 H122 | S115-F118 WeakPolarHBondContact O-CB 3.24Å; S115-F118 PolarHBondContact O-N 2.73Å; S115-F118 VanDerWaalsContact O-N 3.08Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 2.78Å; F118-H121 WeakPolarHBondContact O-CB 3.33Å; F118-H121 PolarHBondContact O-N 3Å; F118-H122 PolarHBondContact O-CD2 3.31Å; F118-H122 PolarHBondContact O-N 3.15Å |
| 119 | L | 92.3 | Very high | 90.5 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.2 | -71 | 175.9 | 0 | 0 | 0 | 111.8 | A103 I106 I107 A112 S115 W116 H121 H122 V123 | A103-L119 HydrophobicContact CB-CD2 4.04Å; I106-L119 HydrophobicContact CB-CD2 4.17Å; I106-L119 HydrophobicContact CD1-CD2 4.37Å; I106-L119 HydrophobicContact CG2-CD1 4.09Å; I106-L119 HydrophobicContact CG2-CD2 4Å; I106-L119 HydrophobicContact CG2-CG 4.08Å; I107-L119 HydrophobicContact CD1-CD2 4.27Å; I107-L119 HydrophobicContact CG1-CD1 4.1Å; I107-L119 HydrophobicContact CG1-CD2 4.11Å; A112-L119 HydrophobicContact CB-CD1 3.83Å; S115-L119 PolarHBondContact O-N 3.5Å; S115-L119 VanDerWaalsContact O-N 3.09Å; W116-L119 PolarHBondContact O-N 2.9Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.78Å; L119-H122 PolarHBondContact O-N 3.44Å; L119-V123 WeakPolarHBondContact O-CG2 3.35Å; L119-V123 PolarHBondContact O-N 2.84Å |
| 120 | I | 94.7 | Very high | 91 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 173.8 | -70 | -179 | 0 | 0 | 0 | 110.4 | W116 E117 H122 V123 L124 M221 | W116-I120 HydrophobicContact CE3-CD1 3.38Å; W116-I120 HydrophobicContact CE3-CG1 4.23Å; W116-I120 HydrophobicContact CH2-CD1 4.49Å; W116-I120 HydrophobicContact CZ3-CD1 3.26Å; W116-I120 HydrophobicContact CZ3-CG1 4.49Å; W116-I120 PolarHBondContact O-N 3.37Å; E117-I120 PolarHBondContact O-N 3.32Å; I120-H122 VanDerWaalsContact C-N 3.33Å; I120-H122 PolarHBondContact O-N 2.88Å; I120-V123 PolarHBondContact O-N 3.36Å; I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.21Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.31Å; I120-L124 PolarHBondContact O-N 3.5Å; I120-M221 HydrophobicContact CG2-SD 4.25Å |
| 121 | H | 95.1 | Very high | 91.5 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.7 | -48.6 | 173.9 | 168.6 | 63.1 | 0 | 0 | 0 | 111.8 | E117 F118 L119 V123 L124 V125 M218 M221 | E117-H121 PolarHBondContact O-N 3.44Å; F118-H121 WeakPolarHBondContact O-CB 3.33Å; F118-H121 PolarHBondContact O-N 3Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.78Å; H121-V123 VanDerWaalsContact C-N 3.34Å; H121-V123 PolarHBondContact O-N 3.11Å; H121-L124 PolarHBondContact O-N 2.89Å; H121-V125 VanDerWaalsContact CE1-CG2 3.4Å; H121-V125 WeakPolarHBondContact CE1-CG2 3.44Å; H121-V125 WeakPolarHBondContact O-CG2 3.16Å; H121-V125 PolarHBondContact O-N 3.43Å; H121-M218 VanDerWaalsContact ND1-CE 3.28Å; H121-M218 WeakPolarHBondContact ND1-CE 3.36Å; H121-M218 PolarHBondContact ND1-SD 2.86Å; H121-M218 VanDerWaalsContact ND1-SD 3.4Å; H121-M221 HydrophobicContact CB-CE 3.79Å |
| 122 | H | 95.5 | Very high | 92 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.9 | -67.7 | 173.7 | 0 | 0 | 0 | 112.4 | F99 D102 A103 F118 L119 I120 V125 L126 | F99-H122 AromaticContact CD1-CD2 3.48Å; F99-H122 VanDerWaalsContact CD1-CD2 3.48Å; F99-H122 WeakPolarHBondContact CD1-CD2 3.48Å; F99-H122 AromaticContact CD1-NE2 3.82Å; F99-H122 AromaticContact CE1-CD2 4Å; D102-H122 IonicContact OD2-CE1 2.95Å; D102-H122 PolarHBondContact OD2-CE1 3.38Å; D102-H122 IonicContact OD2-NE2 2.86Å; A103-H122 HydrophobicContact CB-CB 4.41Å; F118-H122 PolarHBondContact O-CD2 3.31Å; F118-H122 PolarHBondContact O-N 3.15Å; L119-H122 PolarHBondContact O-N 3.44Å; I120-H122 VanDerWaalsContact C-N 3.33Å; I120-H122 PolarHBondContact O-N 2.88Å; H122-V125 PolarHBondContact O-N 2.96Å; H122-L126 WeakPolarHBondContact O-CB 3.24Å; H122-L126 VanDerWaalsContact O-CG 3.25Å; H122-L126 WeakPolarHBondContact O-CG 3.36Å; H122-L126 PolarHBondContact O-N 3.18Å |
| 123 | V | 95.5 | Very high | 92.6 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.8 | -49.9 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 110 | L119 I120 H121 V125 L126 W127 | L119-V123 WeakPolarHBondContact O-CG2 3.35Å; L119-V123 PolarHBondContact O-N 2.84Å; I120-V123 PolarHBondContact O-N 3.36Å; H121-V123 VanDerWaalsContact C-N 3.34Å; H121-V123 PolarHBondContact O-N 3.11Å; V123-V125 VanDerWaalsContact C-N 3.35Å; V123-V125 PolarHBondContact O-N 3.37Å; V123-L126 PolarHBondContact O-N 2.58Å; V123-W127 WeakPolarHBondContact O-CB 3.3Å; V123-W127 PolarHBondContact O-N 3.36Å |
| 124 | L | 96.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | -179.8 | -67.9 | 175.1 | 0 | 0 | 0 | 112.6 | I120 H121 C128 T214 L217 M218 M221 | I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.21Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.31Å; I120-L124 PolarHBondContact O-N 3.5Å; H121-L124 PolarHBondContact O-N 2.89Å; L124-C128 PolarHBondContact O-N 3.17Å; L124-T214 HydrophobicContact CB-CG2 3.98Å; L124-T214 HydrophobicContact CD2-CG2 4.09Å; L124-L217 HydrophobicContact CD1-CB 3.82Å; L124-L217 HydrophobicContact CD1-CD1 4.4Å; L124-L217 HydrophobicContact CD2-CD1 3.9Å; L124-M218 HydrophobicContact CB-CG 4.37Å; L124-M218 HydrophobicContact CB-SD 4.19Å; L124-M218 HydrophobicContact CD1-CG 4.28Å; L124-M218 HydrophobicContact CD1-SD 4.14Å; L124-M221 HydrophobicContact CD1-SD 4.19Å |
| 125 | V | 96.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.8 | -49 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | F99 H121 H122 V123 W127 C128 F129 M218 | F99-V125 HydrophobicContact CD2-CG1 3.87Å; F99-V125 HydrophobicContact CE2-CG1 3.53Å; F99-V125 HydrophobicContact CZ-CG1 4.01Å; H121-V125 VanDerWaalsContact CE1-CG2 3.4Å; H121-V125 WeakPolarHBondContact CE1-CG2 3.44Å; H121-V125 WeakPolarHBondContact O-CG2 3.16Å; H121-V125 PolarHBondContact O-N 3.43Å; H122-V125 PolarHBondContact O-N 2.96Å; V123-V125 VanDerWaalsContact C-N 3.35Å; V123-V125 PolarHBondContact O-N 3.37Å; V125-W127 PolarHBondContact O-N 2.84Å; V125-C128 PolarHBondContact O-N 3.45Å; V125-F129 HydrophobicContact CG1-CD1 4.16Å; V125-F129 HydrophobicContact CG1-CD2 3.98Å; V125-F129 HydrophobicContact CG1-CE1 3.96Å; V125-F129 HydrophobicContact CG1-CE2 3.77Å; V125-F129 HydrophobicContact CG1-CG 4.17Å; V125-F129 HydrophobicContact CG1-CZ 3.76Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 2.87Å; V125-M218 HydrophobicContact CG2-CE 4.44Å; V125-M218 HydrophobicContact CG2-SD 4.42Å |
| 126 | L | 96.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -38.1 | 178.3 | -77.5 | 171.5 | 0 | 0 | 0 | 111.7 | S96 F99 V100 H122 V123 C128 F129 L130 | S96-L126 WeakPolarHBondContact O-CD2 3.45Å; F99-L126 HydrophobicContact CB-CD1 4.09Å; F99-L126 HydrophobicContact CB-CD2 3.79Å; F99-L126 HydrophobicContact CB-CG 3.82Å; V100-L126 HydrophobicContact CG2-CD1 3.94Å; V100-L126 HydrophobicContact CG2-CD2 3.84Å; H122-L126 WeakPolarHBondContact O-CB 3.24Å; H122-L126 VanDerWaalsContact O-CG 3.25Å; H122-L126 WeakPolarHBondContact O-CG 3.36Å; H122-L126 PolarHBondContact O-N 3.18Å; V123-L126 PolarHBondContact O-N 2.58Å; L126-C128 PolarHBondContact O-N 3.28Å; L126-F129 PolarHBondContact O-N 3.1Å; L126-L130 VanDerWaalsContact O-CB 3.25Å; L126-L130 WeakPolarHBondContact O-CB 3.18Å; L126-L130 WeakPolarHBondContact O-CG 3.25Å; L126-L130 PolarHBondContact O-N 3.42Å |
| 127 | W | 94.2 | Very high | 94.4 | Very high | 140 Ų | 140 | 47.6 Ų | 47.6 | 53% | 0.53 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.4 | -49 | 176 | -170.3 | -106.1 | 0 | 0 | 0 | 111.4 | V123 V125 Y131 Y210 | V123-W127 WeakPolarHBondContact O-CB 3.3Å; V123-W127 PolarHBondContact O-N 3.36Å; V125-W127 PolarHBondContact O-N 2.84Å; W127-Y131 PolarHBondContact O-N 3.11Å; W127-Y210 VanDerWaalsContact C-OH 3.29Å; W127-Y210 AromaticContact CD1-CE1 3.71Å; W127-Y210 AromaticContact CD1-CE2 3.48Å; W127-Y210 VanDerWaalsContact CD1-CE2 3.48Å; W127-Y210 AromaticContact CD1-CZ 3.09Å; W127-Y210 HydrophobicContact CD2-CE2 4.26Å; W127-Y210 AromaticContact CE2-CE2 3.3Å; W127-Y210 AromaticContact CE2-CZ 3.68Å; W127-Y210 HydrophobicContact CG-CE2 4.31Å; W127-Y210 AromaticContact CG-CZ 3.87Å; W127-Y210 VanDerWaalsContact CG-OH 3.27Å; W127-Y210 HydrophobicContact CZ2-CD2 4.43Å; W127-Y210 AromaticContact CZ2-CE2 3.7Å; W127-Y210 HydrophobicContact CZ2-CE2 3.7Å; W127-Y210 AromaticContact NE1-CD2 3.45Å; W127-Y210 AromaticContact NE1-CE1 3.86Å; W127-Y210 AromaticContact NE1-CE2 2.77Å; W127-Y210 AromaticContact NE1-CZ 2.98Å; W127-Y210 PolarHBondContact NE1-OH 3.16Å; W127-Y210 VanDerWaalsContact NE1-OH 3.15Å; W127-Y210 PolarHBondContact O-OH 3.24Å |
| 128 | C | 95.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 46 Ų | 46 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 175.3 | -73.2 | 0 | 0 | 0 | 0 | 113.2 | L124 V125 L126 Y131 S132 F211 T214 | L124-C128 PolarHBondContact O-N 3.17Å; V125-C128 PolarHBondContact O-N 3.45Å; L126-C128 PolarHBondContact O-N 3.28Å; C128-Y131 PolarHBondContact O-N 2.9Å; C128-S132 PolarHBondContact O-N 3.31Å; C128-F211 HydrophobicContact CB-CE1 4.3Å; C128-T214 WeakPolarHBondContact SG-CG2 3.49Å |
| 129 | F | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -42.6 | -175.5 | -77.4 | 14 | 0 | 0 | 0 | 112 | I92 S96 F99 V125 L126 Y131 S132 L133 A142 A145 L146 | I92-F129 HydrophobicContact CG2-CB 3.88Å; I92-F129 HydrophobicContact CG2-CD1 4.5Å; I92-F129 HydrophobicContact CG2-CD2 3.92Å; I92-F129 HydrophobicContact CG2-CG 3.87Å; S96-F129 WeakPolarHBondContact OG-CB 3.36Å; F99-F129 HydrophobicContact CD2-CE2 4.45Å; F99-F129 HydrophobicContact CE2-CD2 4.48Å; F99-F129 AromaticContact CE2-CE2 3.94Å; F99-F129 HydrophobicContact CE2-CE2 3.94Å; V125-F129 HydrophobicContact CG1-CD1 4.16Å; V125-F129 HydrophobicContact CG1-CD2 3.98Å; V125-F129 HydrophobicContact CG1-CE1 3.96Å; V125-F129 HydrophobicContact CG1-CE2 3.77Å; V125-F129 HydrophobicContact CG1-CG 4.17Å; V125-F129 HydrophobicContact CG1-CZ 3.76Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 2.87Å; L126-F129 PolarHBondContact O-N 3.1Å; F129-Y131 VanDerWaalsContact C-N 3.35Å; F129-Y131 PolarHBondContact O-N 3.37Å; F129-S132 WeakPolarHBondContact O-CB 3.39Å; F129-S132 PolarHBondContact O-N 3Å; F129-S132 VanDerWaalsContact O-N 3.17Å; F129-L133 VanDerWaalsContact O-CG 3.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.06Å; F129-A142 HydrophobicContact CD1-CB 3.82Å; F129-A142 HydrophobicContact CE1-CB 3.71Å; F129-A142 HydrophobicContact CZ-CB 4.47Å; F129-A145 HydrophobicContact CE1-CB 4.47Å; F129-L146 HydrophobicContact CE2-CD1 4.36Å; F129-L146 HydrophobicContact CE2-CD2 3.92Å; F129-L146 HydrophobicContact CE2-CG 4.18Å; F129-L146 HydrophobicContact CZ-CD1 4.33Å; F129-L146 HydrophobicContact CZ-CD2 3.82Å; F129-L146 HydrophobicContact CZ-CG 3.8Å |
| 130 | L | 95.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 29% | 0.293 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64 | -42 | 176.1 | -68.7 | 174.4 | 0 | 0 | 0 | 110.9 | V16 L126 S132 L133 Y134 | V16-L130 HydrophobicContact CG2-CD2 4.25Å; L126-L130 VanDerWaalsContact O-CB 3.25Å; L126-L130 WeakPolarHBondContact O-CB 3.18Å; L126-L130 WeakPolarHBondContact O-CG 3.25Å; L126-L130 PolarHBondContact O-N 3.42Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.2Å; L130-L133 PolarHBondContact O-N 2.94Å; L130-Y134 HydrophobicContact CB-CD2 4.41Å; L130-Y134 HydrophobicContact CD2-CE2 4.39Å; L130-Y134 WeakPolarHBondContact O-CD2 3.3Å; L130-Y134 PolarHBondContact O-N 3.09Å |
| 131 | Y | 95.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.9 | -47.1 | 172.6 | -179.6 | -84.1 | 0 | 0 | 0 | 111.1 | W127 C128 F129 L133 Y134 S135 Y138 K207 F211 | W127-Y131 PolarHBondContact O-N 3.11Å; C128-Y131 PolarHBondContact O-N 2.9Å; F129-Y131 VanDerWaalsContact C-N 3.35Å; F129-Y131 PolarHBondContact O-N 3.37Å; Y131-L133 PolarHBondContact O-N 3.08Å; Y131-Y134 PolarHBondContact O-N 3.45Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.45Å; Y131-S135 VanDerWaalsContact O-CB 3.31Å; Y131-S135 WeakPolarHBondContact O-CB 3.34Å; Y131-S135 PolarHBondContact O-N 3.44Å; Y131-S135 PolarHBondContact O-OG 3.42Å; Y131-Y138 HydrophobicContact CD1-CD2 4.38Å; Y131-Y138 AromaticContact CE1-CD2 3.86Å; Y131-Y138 HydrophobicContact CE1-CD2 3.86Å; Y131-Y138 AromaticContact CE1-CE2 3.99Å; Y131-Y138 HydrophobicContact CE1-CE2 3.99Å; Y131-K207 HydrophobicContact CE2-CG 3.99Å; Y131-F211 HydrophobicContact CD1-CE1 4.47Å; Y131-F211 HydrophobicContact CD1-CE2 4.09Å; Y131-F211 AromaticContact CD1-CZ 3.47Å; Y131-F211 HydrophobicContact CD1-CZ 3.47Å; Y131-F211 VanDerWaalsContact CD1-CZ 3.47Å; Y131-F211 AromaticContact CE1-CE2 3.87Å; Y131-F211 HydrophobicContact CE1-CE2 3.87Å; Y131-F211 AromaticContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CG-CZ 4.18Å |
| 132 | S | 95.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | C128 F129 L130 H136 L137 V139 | C128-S132 PolarHBondContact O-N 3.31Å; F129-S132 WeakPolarHBondContact O-CB 3.39Å; F129-S132 PolarHBondContact O-N 3Å; F129-S132 VanDerWaalsContact O-N 3.17Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.2Å; S132-H136 WeakPolarHBondContact O-CA 3.14Å; S132-H136 PolarHBondContact O-N 2.88Å; S132-L137 WeakPolarHBondContact CA-O 3.2Å; S132-L137 VanDerWaalsContact CB-O 3.3Å; S132-L137 WeakPolarHBondContact CB-O 3.5Å; S132-L137 PolarHBondContact OG-O 3.25Å; S132-V139 WeakPolarHBondContact OG-CA 3.36Å; S132-V139 WeakPolarHBondContact OG-CG2 3.33Å; S132-V139 PolarHBondContact OG-N 3.08Å; S132-V139 VanDerWaalsContact OG-N 3.08Å |
| 133 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | 177.3 | -69.8 | 175.3 | 0 | 0 | 0 | 112.3 | P12 V16 Y89 I92 C93 F129 L130 Y131 H136 | P12-L133 HydrophobicContact CB-CB 4.13Å; V16-L133 HydrophobicContact CG2-CD1 3.72Å; Y89-L133 HydrophobicContact CD1-CD2 4.26Å; Y89-L133 HydrophobicContact CD2-CD2 4.07Å; Y89-L133 HydrophobicContact CE1-CD2 3.85Å; Y89-L133 HydrophobicContact CE2-CD2 3.63Å; Y89-L133 HydrophobicContact CG-CD2 4.37Å; Y89-L133 PolarHBondContact OH-O 3Å; I92-L133 HydrophobicContact CB-CD2 4Å; I92-L133 HydrophobicContact CG2-CD1 4.18Å; I92-L133 HydrophobicContact CG2-CD2 3.85Å; I92-L133 HydrophobicContact CG2-CG 3.84Å; C93-L133 VanDerWaalsContact SG-CD2 3.57Å; F129-L133 VanDerWaalsContact O-CG 3.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.06Å; L130-L133 PolarHBondContact O-N 2.94Å; Y131-L133 PolarHBondContact O-N 3.08Å; L133-H136 PolarHBondContact O-CE1 2.67Å; L133-H136 VanDerWaalsContact O-CE1 3.25Å; L133-H136 PolarHBondContact O-ND1 3.02Å; L133-H136 VanDerWaalsContact O-ND1 3.13Å |
| 134 | Y | 94.7 | Very high | 95.8 | Very high | 140 Ų | 140 | 31.4 Ų | 31.4 | 55% | 0.549 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -76.5 | -33.7 | -178.4 | -80.2 | -73.2 | 0 | 0 | 0 | 113.8 | P12 G13 L130 Y131 | P12-Y134 HydrophobicContact CB-CD1 4.32Å; P12-Y134 HydrophobicContact CB-CE1 4.15Å; P12-Y134 HydrophobicContact CG-CD1 4.03Å; P12-Y134 HydrophobicContact CG-CE1 4.09Å; G13-Y134 WeakPolarHBondContact CA-OH 3.19Å; G13-Y134 PolarHBondContact N-OH 2.78Å; L130-Y134 HydrophobicContact CB-CD2 4.41Å; L130-Y134 HydrophobicContact CD2-CE2 4.39Å; L130-Y134 WeakPolarHBondContact O-CD2 3.3Å; L130-Y134 PolarHBondContact O-N 3.09Å; Y131-Y134 PolarHBondContact O-N 3.45Å |
| 135 | S | 93.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -88.4 | -17 | 178.7 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | Y131 L137 | Y131-S135 WeakPolarHBondContact CE1-OG 3.45Å; Y131-S135 VanDerWaalsContact O-CB 3.31Å; Y131-S135 WeakPolarHBondContact O-CB 3.34Å; Y131-S135 PolarHBondContact O-N 3.44Å; Y131-S135 PolarHBondContact O-OG 3.42Å; S135-L137 PolarHBondContact O-N 3.01Å; S135-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact OG-N 3.21Å |
| 136 | H | 93.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 30.9 Ų | 30.9 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | trans | 58.6 | 14.5 | -168 | -47.9 | -55.8 | 0 | 0 | 0 | 114.1 | Y84 Y89 S132 L133 | Y84-H136 HydrophobicContact CE1-CB 4.16Å; Y84-H136 VanDerWaalsContact CE1-O 3.28Å; Y84-H136 WeakPolarHBondContact CE1-O 3.11Å; Y89-H136 AromaticContact CE2-ND1 3.57Å; Y89-H136 AromaticContact CZ-ND1 3.98Å; S132-H136 WeakPolarHBondContact O-CA 3.14Å; S132-H136 PolarHBondContact O-N 2.88Å; L133-H136 PolarHBondContact O-CE1 2.67Å; L133-H136 VanDerWaalsContact O-CE1 3.25Å; L133-H136 PolarHBondContact O-ND1 3.02Å; L133-H136 VanDerWaalsContact O-ND1 3.13Å | ||
| 137 | L | 93.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 22% | 0.22 | 15% | 0.152 | C | C | . | . | trans | -99.8 | 156.3 | 175.3 | -61.8 | 175.8 | 0 | 0 | 0 | 110.4 | S132 S135 V139 | S132-L137 WeakPolarHBondContact CA-O 3.2Å; S132-L137 VanDerWaalsContact CB-O 3.3Å; S132-L137 WeakPolarHBondContact CB-O 3.5Å; S132-L137 PolarHBondContact OG-O 3.25Å; S135-L137 PolarHBondContact O-N 3.01Å; S135-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact OG-N 3.21Å; L137-V139 PolarHBondContact O-N 3.42Å | ||
| 138 | Y | 95.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 60.1 | 17.4 | 173.5 | -47.3 | -66.5 | 0 | 0 | 0 | 116.1 | I80 H81 Y131 A140 G141 A142 M205 D206 F211 | I80-Y138 HydrophobicContact CG2-CD1 4.48Å; I80-Y138 VanDerWaalsContact O-CA 3.32Å; I80-Y138 WeakPolarHBondContact O-CA 3.45Å; H81-Y138 HydrophobicContact CB-CE1 4.24Å; H81-Y138 AromaticContact CD2-CE1 3.46Å; H81-Y138 VanDerWaalsContact CD2-CE1 3.46Å; H81-Y138 WeakPolarHBondContact CD2-CE1 3.19Å; H81-Y138 AromaticContact CD2-CZ 3.58Å; H81-Y138 PolarHBondContact CD2-OH 3.13Å; H81-Y138 VanDerWaalsContact CD2-OH 3.25Å; H81-Y138 PolarHBondContact NE2-OH 3.41Å; H81-Y138 PolarHBondContact O-N 2.89Å; Y131-Y138 HydrophobicContact CD1-CD2 4.38Å; Y131-Y138 AromaticContact CE1-CD2 3.86Å; Y131-Y138 HydrophobicContact CE1-CD2 3.86Å; Y131-Y138 AromaticContact CE1-CE2 3.99Å; Y131-Y138 HydrophobicContact CE1-CE2 3.99Å; Y138-A140 VanDerWaalsContact C-N 3.29Å; Y138-A140 PolarHBondContact O-N 3.05Å; Y138-G141 WeakPolarHBondContact O-CA 3.42Å; Y138-G141 PolarHBondContact O-N 2.93Å; Y138-A142 PolarHBondContact O-N 3.2Å; Y138-M205 HydrophobicContact CD1-CE 3.93Å; Y138-M205 HydrophobicContact CE1-CE 3.6Å; Y138-M205 HydrophobicContact CE1-CG 3.99Å; Y138-M205 HydrophobicContact CE2-CE 4.22Å; Y138-M205 HydrophobicContact CG-CE 4.37Å; Y138-M205 WeakPolarHBondContact OH-CG 3.14Å; Y138-D206 HydrophobicContact CE2-CB 4.27Å; Y138-D206 WeakPolarHBondContact OH-CB 3.42Å; Y138-D206 PolarHBondContact OH-N 2.97Å; Y138-D206 PolarHBondContact OH-OD2 3.44Å; Y138-F211 AromaticContact CD2-CE2 3.73Å; Y138-F211 HydrophobicContact CD2-CE2 3.73Å; Y138-F211 AromaticContact CD2-CZ 3.71Å; Y138-F211 HydrophobicContact CD2-CZ 3.71Å; Y138-F211 AromaticContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CZ 4.2Å; Y138-F211 HydrophobicContact CG-CZ 4.35Å |
| 139 | V | 96.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 110 | Y84 A88 Y89 I92 S132 L137 G141 A142 V143 | Y84-V139 HydrophobicContact CD1-CB 4.3Å; Y84-V139 HydrophobicContact CD1-CG2 4.24Å; Y84-V139 HydrophobicContact CG-CB 4.1Å; Y84-V139 HydrophobicContact CG-CG1 4.21Å; Y84-V139 HydrophobicContact CG-CG2 4.27Å; A88-V139 HydrophobicContact CB-CG1 4.3Å; Y89-V139 HydrophobicContact CD2-CG1 4.5Å; Y89-V139 HydrophobicContact CD2-CG2 4.05Å; I92-V139 HydrophobicContact CG1-CG1 4.14Å; S132-V139 WeakPolarHBondContact OG-CA 3.36Å; S132-V139 WeakPolarHBondContact OG-CG2 3.33Å; S132-V139 PolarHBondContact OG-N 3.08Å; S132-V139 VanDerWaalsContact OG-N 3.08Å; L137-V139 PolarHBondContact O-N 3.42Å; V139-G141 VanDerWaalsContact C-N 3.32Å; V139-G141 PolarHBondContact O-N 3.29Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 3.06Å; V139-A142 VanDerWaalsContact O-N 3.16Å; V139-V143 WeakPolarHBondContact O-CG2 3.33Å; V139-V143 PolarHBondContact O-N 3.42Å |
| 140 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.9 | -46.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | L76 I80 F83 Y138 A142 V143 V144 | L76-A140 HydrophobicContact CB-CB 4.47Å; L76-A140 HydrophobicContact CD2-CB 3.91Å; L76-A140 WeakPolarHBondContact O-CB 3.35Å; I80-A140 HydrophobicContact CD1-CB 4.25Å; F83-A140 VanDerWaalsContact O-CB 3.23Å; F83-A140 WeakPolarHBondContact O-CB 3.1Å; Y138-A140 VanDerWaalsContact C-N 3.29Å; Y138-A140 PolarHBondContact O-N 3.05Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 3.4Å; A140-V143 WeakPolarHBondContact O-CB 3.37Å; A140-V143 PolarHBondContact O-N 3.18Å; A140-V143 VanDerWaalsContact O-N 3.15Å; A140-V144 WeakPolarHBondContact O-CG2 3.21Å; A140-V144 PolarHBondContact O-N 3.01Å |
| 141 | G | 96.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y138 V139 V143 V144 A145 | Y138-G141 WeakPolarHBondContact O-CA 3.42Å; Y138-G141 PolarHBondContact O-N 2.93Å; V139-G141 VanDerWaalsContact C-N 3.32Å; V139-G141 PolarHBondContact O-N 3.29Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 3.16Å; G141-V144 PolarHBondContact O-N 2.76Å; G141-A145 WeakPolarHBondContact O-CB 3.38Å; G141-A145 PolarHBondContact O-N 3.32Å |
| 142 | A | 97.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 7% | 0.066 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -35.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I92 F129 Y138 V139 A140 A145 L146 | I92-A142 HydrophobicContact CD1-CB 3.55Å; I92-A142 HydrophobicContact CG1-CB 3.91Å; I92-A142 HydrophobicContact CG2-CB 4.42Å; F129-A142 HydrophobicContact CD1-CB 3.82Å; F129-A142 HydrophobicContact CE1-CB 3.71Å; F129-A142 HydrophobicContact CZ-CB 4.47Å; Y138-A142 PolarHBondContact O-N 3.2Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 3.06Å; V139-A142 VanDerWaalsContact O-N 3.16Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 3.4Å; A142-A145 WeakPolarHBondContact O-CB 3.38Å; A142-A145 PolarHBondContact O-N 2.87Å; A142-L146 PolarHBondContact O-N 2.99Å; A142-L146 VanDerWaalsContact O-N 3.13Å |
| 143 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 111 | A66 C69 V70 A88 L91 I92 V139 A140 G141 A145 L146 | A66-V143 HydrophobicContact CB-CG1 4.22Å; C69-V143 HydrophobicContact CB-CG1 4.28Å; V70-V143 HydrophobicContact CG2-CG1 4.09Å; A88-V143 HydrophobicContact CB-CG2 3.76Å; L91-V143 HydrophobicContact CD2-CG1 4.38Å; L91-V143 HydrophobicContact CD2-CG2 4.35Å; I92-V143 HydrophobicContact CD1-CG2 3.98Å; I92-V143 HydrophobicContact CG1-CG2 4.42Å; V139-V143 WeakPolarHBondContact O-CG2 3.33Å; V139-V143 PolarHBondContact O-N 3.42Å; A140-V143 WeakPolarHBondContact O-CB 3.37Å; A140-V143 PolarHBondContact O-N 3.18Å; A140-V143 VanDerWaalsContact O-N 3.15Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 3.16Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3.07Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.2Å |
| 144 | V | 97.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.036 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | I80 A140 G141 L146 F147 A190 Y193 L194 | I80-V144 HydrophobicContact CD1-CG2 4.02Å; A140-V144 WeakPolarHBondContact O-CG2 3.21Å; A140-V144 PolarHBondContact O-N 3.01Å; G141-V144 PolarHBondContact O-N 2.76Å; V144-L146 PolarHBondContact O-N 3.2Å; V144-F147 VanDerWaalsContact O-CB 3.29Å; V144-F147 WeakPolarHBondContact O-CB 3.44Å; V144-F147 PolarHBondContact O-N 3.45Å; V144-F147 VanDerWaalsContact O-N 3.08Å; V144-A190 HydrophobicContact CG1-CB 4.45Å; V144-Y193 HydrophobicContact CG1-CD1 3.86Å; V144-Y193 HydrophobicContact CG1-CE1 4.26Å; V144-L194 HydrophobicContact CB-CD2 4.15Å; V144-L194 HydrophobicContact CG1-CD1 4.29Å; V144-L194 HydrophobicContact CG1-CD2 4.05Å; V144-L194 HydrophobicContact CG1-CG 4.01Å |
| 145 | A | 97.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 17.8 Ų | 17.8 | 20% | 0.198 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.1 | -30.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F129 G141 A142 V143 F147 V148 L194 | F129-A145 HydrophobicContact CE1-CB 4.47Å; G141-A145 WeakPolarHBondContact O-CB 3.38Å; G141-A145 PolarHBondContact O-N 3.32Å; A142-A145 WeakPolarHBondContact O-CB 3.38Å; A142-A145 PolarHBondContact O-N 2.87Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3.07Å; A145-F147 PolarHBondContact O-N 2.96Å; A145-V148 WeakPolarHBondContact O-CG1 3.35Å; A145-V148 VanDerWaalsContact O-CG2 3.24Å; A145-V148 WeakPolarHBondContact O-CG2 3.2Å; A145-V148 PolarHBondContact O-N 2.94Å; A145-L194 HydrophobicContact CB-CD1 3.7Å |
| 146 | L | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.5 | 175.8 | -73.8 | 171.8 | 0 | 0 | 0 | 114.1 | A66 L91 I92 S95 F129 A142 V143 V144 V148 E149 | A66-L146 HydrophobicContact CB-CB 4.04Å; L91-L146 HydrophobicContact CD1-CD1 4.04Å; L91-L146 HydrophobicContact CD2-CD1 3.97Å; L91-L146 HydrophobicContact CG-CD1 3.66Å; I92-L146 HydrophobicContact CD1-CD1 3.64Å; S95-L146 WeakPolarHBondContact OG-CD1 3.21Å; F129-L146 HydrophobicContact CE2-CD1 4.36Å; F129-L146 HydrophobicContact CE2-CD2 3.92Å; F129-L146 HydrophobicContact CE2-CG 4.18Å; F129-L146 HydrophobicContact CZ-CD1 4.33Å; F129-L146 HydrophobicContact CZ-CD2 3.82Å; F129-L146 HydrophobicContact CZ-CG 3.8Å; A142-L146 PolarHBondContact O-N 2.99Å; A142-L146 VanDerWaalsContact O-N 3.13Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.2Å; V144-L146 PolarHBondContact O-N 3.2Å; L146-V148 PolarHBondContact O-N 3.36Å; L146-V148 VanDerWaalsContact O-N 3.12Å; L146-E149 HydrophobicContact CD2-CG 3.95Å; L146-E149 VanDerWaalsContact O-CB 3.25Å; L146-E149 WeakPolarHBondContact O-CB 3.31Å; L146-E149 WeakPolarHBondContact O-CG 3.45Å; L146-E149 PolarHBondContact O-N 3.2Å |
| 147 | F | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 17.6 Ų | 17.6 | 17% | 0.171 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26 | 172.2 | -79.4 | 21.8 | 0 | 0 | 0 | 111.6 | A66 V70 V144 A145 E149 V150 F186 A190 | A66-F147 HydrophobicContact CB-CD1 3.92Å; A66-F147 HydrophobicContact CB-CE1 4.04Å; V70-F147 HydrophobicContact CB-CE1 4.38Å; V70-F147 HydrophobicContact CB-CZ 3.88Å; V70-F147 HydrophobicContact CG1-CZ 4.19Å; V70-F147 HydrophobicContact CG2-CE1 3.76Å; V70-F147 HydrophobicContact CG2-CZ 3.61Å; V144-F147 VanDerWaalsContact O-CB 3.29Å; V144-F147 WeakPolarHBondContact O-CB 3.44Å; V144-F147 PolarHBondContact O-N 3.45Å; V144-F147 VanDerWaalsContact O-N 3.08Å; A145-F147 PolarHBondContact O-N 2.96Å; F147-E149 PolarHBondContact O-N 3.43Å; F147-E149 VanDerWaalsContact O-N 3.08Å; F147-V150 WeakPolarHBondContact O-CB 3.46Å; F147-V150 PolarHBondContact O-N 2.89Å; F147-F186 HydrophobicContact CB-CD1 4.43Å; F147-F186 HydrophobicContact CD2-CD1 4.4Å; F147-F186 WeakPolarHBondContact O-CB 3.34Å; F147-A190 HydrophobicContact CB-CB 3.99Å |
| 148 | V | 96.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 16.3 Ų | 16.3 | 9% | 0.091 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.5 | -23.5 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | A145 L146 V150 N151 S152 R187 | A145-V148 WeakPolarHBondContact O-CG1 3.35Å; A145-V148 VanDerWaalsContact O-CG2 3.24Å; A145-V148 WeakPolarHBondContact O-CG2 3.2Å; A145-V148 PolarHBondContact O-N 2.94Å; L146-V148 PolarHBondContact O-N 3.36Å; L146-V148 VanDerWaalsContact O-N 3.12Å; V148-V150 VanDerWaalsContact C-N 3.29Å; V148-V150 PolarHBondContact O-N 2.93Å; V148-N151 PolarHBondContact O-N 3.09Å; V148-S152 PolarHBondContact O-N 3.44Å; V148-S152 PolarHBondContact O-OG 3.21Å; V148-R187 HydrophobicContact CB-CB 4.49Å; V148-R187 HydrophobicContact CB-CG 4.35Å; V148-R187 HydrophobicContact CG1-CB 4.32Å; V148-R187 HydrophobicContact CG1-CG 4.06Å |
| 149 | E | 97.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 18 Ų | 18 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.3 | -27.8 | 178.3 | -66.1 | -57 | 141.5 | 0 | 0 | 112.7 | H58 S59 L146 F147 N151 S152 V153 | H58-E149 IonicContact CD2-OE2 3.85Å; S59-E149 WeakPolarHBondContact CA-OE2 3.3Å; S59-E149 VanDerWaalsContact CB-OE2 3.25Å; S59-E149 WeakPolarHBondContact CB-OE2 3.5Å; S59-E149 PolarHBondContact OG-OE2 3.18Å; L146-E149 HydrophobicContact CD2-CG 3.95Å; L146-E149 VanDerWaalsContact O-CB 3.25Å; L146-E149 WeakPolarHBondContact O-CB 3.31Å; L146-E149 WeakPolarHBondContact O-CG 3.45Å; L146-E149 PolarHBondContact O-N 3.2Å; F147-E149 PolarHBondContact O-N 3.43Å; F147-E149 VanDerWaalsContact O-N 3.08Å; E149-N151 VanDerWaalsContact C-N 3.27Å; E149-N151 PolarHBondContact O-N 2.78Å; E149-S152 WeakPolarHBondContact O-CA 3.35Å; E149-S152 WeakPolarHBondContact O-CB 3.43Å; E149-S152 PolarHBondContact O-N 3.26Å; E149-S152 VanDerWaalsContact OE2-CB 3.28Å; E149-S152 WeakPolarHBondContact OE2-CB 3.42Å; E149-S152 PolarHBondContact OE2-OG 3.31Å; E149-V153 WeakPolarHBondContact O-CG2 3.31Å; E149-V153 PolarHBondContact O-N 3.42Å |
| 150 | V | 97 | Very high | 95.8 | Very high | 26 Ų | 26 | 19.2 Ų | 19.2 | 16% | 0.158 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | M67 F147 V148 F186 | M67-V150 HydrophobicContact CG-CG2 4.1Å; M67-V150 HydrophobicContact SD-CG1 4.47Å; M67-V150 HydrophobicContact SD-CG2 3.77Å; F147-V150 WeakPolarHBondContact O-CB 3.46Å; F147-V150 PolarHBondContact O-N 2.89Å; V148-V150 VanDerWaalsContact C-N 3.29Å; V148-V150 PolarHBondContact O-N 2.93Å; V150-F186 HydrophobicContact CB-CB 4.15Å; V150-F186 HydrophobicContact CB-CD1 3.94Å; V150-F186 HydrophobicContact CB-CD2 4.14Å; V150-F186 HydrophobicContact CB-CE1 4.37Å; V150-F186 HydrophobicContact CB-CG 3.82Å; V150-F186 HydrophobicContact CG1-CD1 4.11Å; V150-F186 HydrophobicContact CG1-CD2 3.68Å; V150-F186 HydrophobicContact CG1-CE1 4.16Å; V150-F186 HydrophobicContact CG1-CE2 3.74Å; V150-F186 HydrophobicContact CG1-CG 3.88Å; V150-F186 HydrophobicContact CG1-CZ 3.98Å; V150-F186 HydrophobicContact CG2-CD1 3.98Å; V150-F186 HydrophobicContact CG2-CE1 4.19Å; V150-F186 HydrophobicContact CG2-CG 4.37Å |
| 151 | N | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.3 | -39.7 | 171.1 | 175.7 | -118.5 | 0 | 0 | 0 | 111.9 | V148 E149 V153 T154 L155 N179 T182 Y183 R187 | V148-N151 PolarHBondContact O-N 3.09Å; E149-N151 VanDerWaalsContact C-N 3.27Å; E149-N151 PolarHBondContact O-N 2.78Å; N151-V153 PolarHBondContact O-N 2.87Å; N151-T154 PolarHBondContact ND2-OG1 3.42Å; N151-T154 PolarHBondContact O-N 3.31Å; N151-T154 PolarHBondContact O-OG1 3.46Å; N151-L155 PolarHBondContact O-N 3.49Å; N151-N179 PolarHBondContact ND2-O 2.95Å; N151-N179 VanDerWaalsContact ND2-O 3.08Å; N151-N179 PolarHBondContact ND2-OD1 3.22Å; N151-T182 PolarHBondContact ND2-OG1 3.22Å; N151-Y183 WeakPolarHBondContact ND2-CA 3.3Å; N151-Y183 PolarHBondContact ND2-N 3.27Å; N151-Y183 VanDerWaalsContact ND2-N 3.13Å; N151-Y183 WeakPolarHBondContact OD1-CD2 3.43Å; N151-R187 HydrophobicContact CB-CB 4.25Å; N151-R187 PolarHBondContact OD1-NE 3.04Å; N151-R187 PolarHBondContact OD1-NH1 3.16Å |
| 152 | S | 95.7 | Very high | 95.1 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.7 | -36.9 | 178 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | S59 V148 E149 T154 L155 H156 R187 | S59-S152 VanDerWaalsContact OG-CB 3.24Å; S59-S152 WeakPolarHBondContact OG-CB 3.4Å; V148-S152 PolarHBondContact O-N 3.44Å; V148-S152 PolarHBondContact O-OG 3.21Å; E149-S152 WeakPolarHBondContact O-CA 3.35Å; E149-S152 WeakPolarHBondContact O-CB 3.43Å; E149-S152 PolarHBondContact O-N 3.26Å; E149-S152 VanDerWaalsContact OE2-CB 3.28Å; E149-S152 WeakPolarHBondContact OE2-CB 3.42Å; E149-S152 PolarHBondContact OE2-OG 3.31Å; S152-T154 PolarHBondContact O-N 3.38Å; S152-L155 PolarHBondContact O-N 2.97Å; S152-H156 WeakPolarHBondContact O-CB 3.44Å; S152-H156 PolarHBondContact O-CD2 2.87Å; S152-H156 PolarHBondContact O-N 2.97Å; S152-R187 PolarHBondContact OG-NH2 2.96Å |
| 153 | V | 96.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53 | -53.6 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | M56 L60 E149 N151 L155 H156 L157 | M56-V153 HydrophobicContact CE-CG1 3.56Å; M56-V153 HydrophobicContact SD-CG1 4.08Å; M56-V153 VanDerWaalsContact SD-O 3.38Å; L60-V153 HydrophobicContact CD2-CB 4.5Å; L60-V153 HydrophobicContact CD2-CG1 3.68Å; L60-V153 HydrophobicContact CD2-CG2 3.9Å; L60-V153 HydrophobicContact CG-CG1 4.22Å; L60-V153 HydrophobicContact CG-CG2 4.02Å; E149-V153 WeakPolarHBondContact O-CG2 3.31Å; E149-V153 PolarHBondContact O-N 3.42Å; N151-V153 PolarHBondContact O-N 2.87Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 3.03Å; V153-H156 PolarHBondContact O-N 3.32Å; V153-L157 WeakPolarHBondContact O-CB 3.26Å; V153-L157 PolarHBondContact O-N 3.45Å |
| 154 | T | 95.5 | Very high | 94.2 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.4 | -32 | -178.6 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | N151 S152 R158 N175 L178 N179 T182 | N151-T154 PolarHBondContact ND2-OG1 3.42Å; N151-T154 PolarHBondContact O-N 3.31Å; N151-T154 PolarHBondContact O-OG1 3.46Å; S152-T154 PolarHBondContact O-N 3.38Å; T154-R158 WeakPolarHBondContact O-CB 3.41Å; T154-R158 PolarHBondContact O-N 3.28Å; T154-N175 PolarHBondContact O-ND2 2.96Å; T154-N175 PolarHBondContact O-OD1 2.85Å; T154-L178 HydrophobicContact CG2-CD2 3.83Å; T154-L178 HydrophobicContact CG2-CG 3.83Å; T154-N179 VanDerWaalsContact OG1-CA 3.3Å; T154-N179 WeakPolarHBondContact OG1-CA 3.45Å; T154-N179 PolarHBondContact OG1-OD1 2.88Å; T154-T182 HydrophobicContact CG2-CG2 4.17Å; T154-T182 PolarHBondContact OG1-OG1 3.33Å; T154-T182 VanDerWaalsContact OG1-OG1 3.06Å |
| 155 | L | 94.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 28.8 Ų | 28.8 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 176.6 | -176.6 | 68.6 | 0 | 0 | 0 | 111.5 | N151 S152 V153 R158 L159 N179 | N151-L155 PolarHBondContact O-N 3.49Å; S152-L155 PolarHBondContact O-N 2.97Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 3.03Å; L155-R158 WeakPolarHBondContact O-CB 3.37Å; L155-R158 PolarHBondContact O-N 3.4Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 PolarHBondContact O-N 3.36Å; L155-N179 WeakPolarHBondContact CA-OD1 3.48Å; L155-N179 WeakPolarHBondContact CB-OD1 3.38Å; L155-N179 PolarHBondContact N-OD1 3.3Å |
| 156 | H | 94.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 13% | 0.134 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 177.4 | -68.7 | -40.8 | 0 | 0 | 0 | 110.5 | L52 S55 M56 S59 S152 V153 R158 L159 M160 | L52-H156 HydrophobicContact CD1-CB 3.93Å; L52-H156 WeakPolarHBondContact CD1-ND1 3.07Å; L52-H156 HydrophobicContact CG-CB 4.29Å; S55-H156 WeakPolarHBondContact CB-NE2 3.47Å; M56-H156 HydrophobicContact CB-CB 4.34Å; M56-H156 HydrophobicContact SD-CB 3.82Å; S59-H156 PolarHBondContact OG-CD2 2.9Å; S59-H156 PolarHBondContact OG-NE2 3.43Å; S152-H156 WeakPolarHBondContact O-CB 3.44Å; S152-H156 PolarHBondContact O-CD2 2.87Å; S152-H156 PolarHBondContact O-N 2.97Å; V153-H156 PolarHBondContact O-N 3.32Å; H156-R158 VanDerWaalsContact C-N 3.28Å; H156-R158 PolarHBondContact O-N 3.49Å; H156-L159 PolarHBondContact O-N 3.26Å; H156-L159 VanDerWaalsContact O-N 3.13Å; H156-M160 WeakPolarHBondContact O-CG 3.37Å; H156-M160 PolarHBondContact O-N 2.92Å |
| 157 | L | 93.1 | Very high | 92.6 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.9 | -42.4 | 173 | -178.3 | 57.1 | 0 | 0 | 0 | 111.9 | M56 V153 L159 M160 L161 | M56-L157 HydrophobicContact CE-CB 4.25Å; V153-L157 WeakPolarHBondContact O-CB 3.26Å; V153-L157 PolarHBondContact O-N 3.45Å; L157-L159 PolarHBondContact O-N 3.43Å; L157-M160 PolarHBondContact O-N 3.41Å; L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.26Å; L157-L161 HydrophobicContact CG-CD1 4.15Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.5Å; L157-L161 PolarHBondContact O-N 2.93Å |
| 158 | R | 93.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.9 | -170 | 177.7 | 157.9 | -76.9 | -0.7 | 111.5 | T154 L155 H156 L161 K162 Y172 N175 D233 | T154-R158 WeakPolarHBondContact O-CB 3.41Å; T154-R158 PolarHBondContact O-N 3.28Å; L155-R158 WeakPolarHBondContact O-CB 3.37Å; L155-R158 PolarHBondContact O-N 3.4Å; H156-R158 VanDerWaalsContact C-N 3.28Å; H156-R158 PolarHBondContact O-N 3.49Å; R158-L161 PolarHBondContact O-N 3.29Å; R158-K162 WeakPolarHBondContact O-CB 3.21Å; R158-K162 PolarHBondContact O-N 3.36Å; R158-Y172 HydrophobicContact CG-CE2 3.81Å; R158-N175 VanDerWaalsContact CA-ND2 3.33Å; R158-N175 WeakPolarHBondContact CA-ND2 3.43Å; R158-N175 VanDerWaalsContact CB-ND2 3.28Å; R158-N175 WeakPolarHBondContact CB-ND2 3.32Å; R158-N175 PolarHBondContact N-ND2 3.48Å; R158-N175 VanDerWaalsContact N-ND2 3.18Å; R158-D233 IonicContact CZ-OD1 2.83Å; R158-D233 IonicContact CZ-OD2 3.47Å; R158-D233 IonicContact NE-OD1 3.13Å; R158-D233 PolarHBondContact NE-OD1 2.94Å; R158-D233 IonicContact NE-OD2 3.33Å; R158-D233 PolarHBondContact NE-OD2 3.26Å; R158-D233 VanDerWaalsContact NH2-CG 3.3Å; R158-D233 IonicContact NH2-OD1 3.97Å; R158-D233 PolarHBondContact NH2-OD1 2.92Å; R158-D233 IonicContact NH2-OD2 3.91Å; R158-D233 PolarHBondContact NH2-OD2 3.2Å |
| 159 | L | 91.5 | Very high | 91.6 | Very high | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 179.9 | -100.5 | 61.6 | 0 | 0 | 0 | 111.5 | L52 L155 H156 L157 K162 L163 | L52-L159 HydrophobicContact CD1-CB 4.37Å; L52-L159 HydrophobicContact CD1-CD2 4.34Å; L52-L159 HydrophobicContact CD2-CB 3.5Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 PolarHBondContact O-N 3.36Å; H156-L159 PolarHBondContact O-N 3.26Å; H156-L159 VanDerWaalsContact O-N 3.13Å; L157-L159 PolarHBondContact O-N 3.43Å; L159-K162 PolarHBondContact O-N 2.87Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.64Å |
| 160 | M | 91 | Very high | 91.2 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 175.2 | -70.2 | -177 | 82.9 | 0 | 0 | 110.6 | W49 L52 S53 H156 L157 K162 L163 A164 | W49-M160 HydrophobicContact CD2-CE 3.99Å; W49-M160 HydrophobicContact CE3-CB 4.29Å; W49-M160 HydrophobicContact CE3-CE 4.17Å; W49-M160 HydrophobicContact CE3-CG 4.44Å; W49-M160 HydrophobicContact CH2-CB 4.24Å; W49-M160 HydrophobicContact CH2-CE 3.65Å; W49-M160 HydrophobicContact CZ2-CE 3.42Å; W49-M160 VanDerWaalsContact CZ2-CE 3.42Å; W49-M160 HydrophobicContact CZ3-CB 3.78Å; W49-M160 HydrophobicContact CZ3-CE 4.02Å; W49-M160 HydrophobicContact CZ3-CG 4.32Å; W49-M160 WeakPolarHBondContact CZ3-O 3.2Å; L52-M160 HydrophobicContact CB-CG 4.44Å; L52-M160 HydrophobicContact CD2-CB 4.23Å; L52-M160 HydrophobicContact CD2-CG 3.32Å; L52-M160 HydrophobicContact CG-CG 3.76Å; S53-M160 WeakPolarHBondContact OG-CE 3.03Å; H156-M160 WeakPolarHBondContact O-CG 3.37Å; H156-M160 PolarHBondContact O-N 2.92Å; L157-M160 PolarHBondContact O-N 3.41Å; M160-K162 VanDerWaalsContact C-N 3.28Å; M160-K162 PolarHBondContact O-N 2.96Å; M160-L163 WeakPolarHBondContact O-CB 3.3Å; M160-L163 PolarHBondContact O-N 3.25Å; M160-L163 VanDerWaalsContact O-N 3.11Å; M160-A164 PolarHBondContact O-N 2.92Å |
| 161 | L | 90.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 176.9 | -69.9 | 170.6 | 0 | 0 | 0 | 112.4 | L157 R158 A164 S165 Q166 Y172 | L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.26Å; L157-L161 HydrophobicContact CG-CD1 4.15Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.5Å; L157-L161 PolarHBondContact O-N 2.93Å; R158-L161 PolarHBondContact O-N 3.29Å; L161-A164 PolarHBondContact O-N 3.35Å; L161-S165 PolarHBondContact O-N 3.48Å; L161-Q166 HydrophobicContact CD2-CB 4.16Å; L161-Q166 PolarHBondContact O-N 3.41Å; L161-Y172 HydrophobicContact CB-CD2 3.91Å; L161-Y172 HydrophobicContact CD1-CD2 4.42Å |
| 162 | K | 89 | Confident | 90.7 | Very high | 98 Ų | 98 | 49.3 Ų | 49.3 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 174.2 | -171.8 | 174.3 | 179.7 | -176.4 | 0 | 111.9 | R158 L159 M160 A164 S165 Q167 | R158-K162 WeakPolarHBondContact O-CB 3.21Å; R158-K162 PolarHBondContact O-N 3.36Å; L159-K162 PolarHBondContact O-N 2.87Å; M160-K162 VanDerWaalsContact C-N 3.28Å; M160-K162 PolarHBondContact O-N 2.96Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.03Å; K162-S165 PolarHBondContact O-N 3.24Å; K162-S165 VanDerWaalsContact O-N 3.15Å; K162-Q167 HydrophobicContact CG-CG 4.36Å |
| 163 | L | 87.6 | Confident | 90.4 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 174.6 | -72.3 | 173.8 | 0 | 0 | 0 | 111.9 | V39 R45 K48 W49 L52 L159 M160 S165 | V39-L163 HydrophobicContact CG2-CB 4.29Å; V39-L163 WeakPolarHBondContact CG2-O 3.49Å; R45-L163 HydrophobicContact CG-CD2 4.16Å; R45-L163 PolarHBondContact NH2-O 3.15Å; K48-L163 HydrophobicContact CB-CD1 4.38Å; K48-L163 HydrophobicContact CD-CD1 4.39Å; K48-L163 HydrophobicContact CD-CD2 4.39Å; K48-L163 HydrophobicContact CG-CD1 4.08Å; W49-L163 HydrophobicContact CE3-CB 4.27Å; L52-L163 HydrophobicContact CD2-CD1 4.14Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.64Å; M160-L163 WeakPolarHBondContact O-CB 3.3Å; M160-L163 PolarHBondContact O-N 3.25Å; M160-L163 VanDerWaalsContact O-N 3.11Å; L163-S165 PolarHBondContact O-N 2.88Å |
| 164 | A | 87.2 | Confident | 90.3 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | W49 M160 L161 K162 Q166 | W49-A164 HydrophobicContact CZ3-CB 4.15Å; M160-A164 PolarHBondContact O-N 2.92Å; L161-A164 PolarHBondContact O-N 3.35Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.03Å; A164-Q166 HydrophobicContact CB-CG 4.03Å; A164-Q166 PolarHBondContact O-N 3.17Å |
| 165 | S | 86.7 | Confident | 90.2 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30.7 | -176.9 | -55 | 0 | 0 | 0 | 0 | 114 | L161 K162 L163 | L161-S165 PolarHBondContact O-N 3.48Å; K162-S165 PolarHBondContact O-N 3.24Å; K162-S165 VanDerWaalsContact O-N 3.15Å; L163-S165 PolarHBondContact O-N 2.88Å |
| 166 | Q | 87.1 | Confident | 90.1 | Very high | 95 Ų | 95 | 56 Ų | 56 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | trans | -98.3 | 32.3 | -176.7 | -67.4 | -60.1 | -57 | 0 | 0 | 113.5 | L161 A164 S168 S169 Y172 | L161-Q166 HydrophobicContact CD2-CB 4.16Å; L161-Q166 PolarHBondContact O-N 3.41Å; A164-Q166 HydrophobicContact CB-CG 4.03Å; A164-Q166 PolarHBondContact O-N 3.17Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.73Å; Q166-S169 WeakPolarHBondContact O-CB 3.39Å; Q166-S169 PolarHBondContact O-N 2.88Å; Q166-S169 VanDerWaalsContact O-N 3.14Å; Q166-S169 PolarHBondContact O-OG 3.49Å; Q166-Y172 WeakPolarHBondContact O-CB 3.25Å | ||
| 167 | Q | 85.1 | Confident | 90 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 43% | 0.425 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.2 | -173.6 | -61.1 | 178.2 | -73.1 | 0 | 0 | 113.9 | K162 S169 Y172 Q173 | K162-Q167 HydrophobicContact CG-CG 4.36Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; Q167-Y172 HydrophobicContact CB-CD1 4.37Å; Q167-Y172 HydrophobicContact CB-CE1 4.34Å; Q167-Y172 HydrophobicContact CG-CE2 4.24Å; Q167-Y172 WeakPolarHBondContact O-CD1 3.42Å; Q167-Q173 PolarHBondContact O-NE2 3.13Å |
| 168 | S | 84.1 | Confident | 90.1 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.4 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | Q166 | Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.73Å |
| 169 | S | 89.4 | Confident | 90.2 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -69.4 | 146.7 | -177.4 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | Q166 Q167 L171 Y172 Q173 | Q166-S169 WeakPolarHBondContact O-CB 3.39Å; Q166-S169 PolarHBondContact O-N 2.88Å; Q166-S169 VanDerWaalsContact O-N 3.14Å; Q166-S169 PolarHBondContact O-OG 3.49Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; S169-L171 PolarHBondContact O-N 3.05Å; S169-Y172 WeakPolarHBondContact O-CB 3.47Å; S169-Y172 PolarHBondContact O-N 3.48Å; S169-Y172 VanDerWaalsContact O-N 3.07Å; S169-Y172 WeakPolarHBondContact OG-CB 3.23Å; S169-Y172 PolarHBondContact OG-N 3.24Å; S169-Y172 VanDerWaalsContact OG-N 3.16Å; S169-Q173 PolarHBondContact O-N 3.11Å |
| 170 | P | 89.4 | Confident | 90.4 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60 | -32.1 | 174.1 | 21 | -30 | 0 | 0 | 0 | 112 | Y172 Q173 I174 | P170-Y172 VanDerWaalsContact C-N 3.34Å; P170-Y172 PolarHBondContact O-N 3.04Å; P170-Q173 PolarHBondContact O-N 3.36Å; P170-I174 WeakPolarHBondContact O-CG1 3.29Å; P170-I174 PolarHBondContact O-N 3.33Å |
| 171 | L | 91.3 | Very high | 90.6 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.4 | -42.8 | 173.6 | -67.8 | 177.6 | 0 | 0 | 0 | 112.1 | S169 N175 | S169-L171 PolarHBondContact O-N 3.05Å; L171-N175 WeakPolarHBondContact O-CB 3.44Å; L171-N175 PolarHBondContact O-N 2.89Å |
| 172 | Y | 91.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 64 Ų | 64 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176 | -178.8 | -90.6 | 0 | 0 | 0 | 111.8 | R158 L161 Q166 Q167 S169 P170 N175 K176 D233 | R158-Y172 HydrophobicContact CG-CE2 3.81Å; L161-Y172 HydrophobicContact CB-CD2 3.91Å; L161-Y172 HydrophobicContact CD1-CD2 4.42Å; Q166-Y172 WeakPolarHBondContact O-CB 3.25Å; Q167-Y172 HydrophobicContact CB-CD1 4.37Å; Q167-Y172 HydrophobicContact CB-CE1 4.34Å; Q167-Y172 HydrophobicContact CG-CE2 4.24Å; Q167-Y172 WeakPolarHBondContact O-CD1 3.42Å; S169-Y172 WeakPolarHBondContact O-CB 3.47Å; S169-Y172 PolarHBondContact O-N 3.48Å; S169-Y172 VanDerWaalsContact O-N 3.07Å; S169-Y172 WeakPolarHBondContact OG-CB 3.23Å; S169-Y172 PolarHBondContact OG-N 3.24Å; S169-Y172 VanDerWaalsContact OG-N 3.16Å; P170-Y172 VanDerWaalsContact C-N 3.34Å; P170-Y172 PolarHBondContact O-N 3.04Å; Y172-N175 PolarHBondContact O-N 3.27Å; Y172-K176 WeakPolarHBondContact O-CB 3.24Å; Y172-K176 PolarHBondContact O-N 2.81Å; Y172-D233 PolarHBondContact OH-OD1 3.48Å |
| 173 | Q | 90.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 59.5 Ų | 59.5 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 179.7 | -62.6 | -58.3 | -30 | 0 | 0 | 111.9 | Q167 S169 P170 N175 K176 F177 | Q167-Q173 PolarHBondContact O-NE2 3.13Å; S169-Q173 PolarHBondContact O-N 3.11Å; P170-Q173 PolarHBondContact O-N 3.36Å; Q173-N175 PolarHBondContact O-N 2.92Å; Q173-K176 WeakPolarHBondContact O-CB 3.12Å; Q173-K176 PolarHBondContact O-N 3.06Å; Q173-F177 WeakPolarHBondContact O-CD2 3.28Å; Q173-F177 PolarHBondContact O-N 2.98Å |
| 174 | I | 93.6 | Very high | 91.6 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 59% | 0.585 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 175.8 | -66.5 | 166.6 | 0 | 0 | 0 | 110.1 | P170 K176 F177 L178 | P170-I174 WeakPolarHBondContact O-CG1 3.29Å; P170-I174 PolarHBondContact O-N 3.33Å; I174-K176 VanDerWaalsContact C-N 3.27Å; I174-K176 PolarHBondContact O-N 3.3Å; I174-F177 PolarHBondContact O-N 3.48Å; I174-L178 PolarHBondContact O-N 3.02Å |
| 175 | N | 94.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -30.9 | -178.5 | -173.9 | 70.2 | 0 | 0 | 0 | 112.6 | T154 R158 L171 Y172 Q173 L178 N179 | T154-N175 PolarHBondContact O-ND2 2.96Å; T154-N175 PolarHBondContact O-OD1 2.85Å; R158-N175 VanDerWaalsContact CA-ND2 3.33Å; R158-N175 WeakPolarHBondContact CA-ND2 3.43Å; R158-N175 VanDerWaalsContact CB-ND2 3.28Å; R158-N175 WeakPolarHBondContact CB-ND2 3.32Å; R158-N175 PolarHBondContact N-ND2 3.48Å; R158-N175 VanDerWaalsContact N-ND2 3.18Å; L171-N175 WeakPolarHBondContact O-CB 3.44Å; L171-N175 PolarHBondContact O-N 2.89Å; Y172-N175 PolarHBondContact O-N 3.27Å; Q173-N175 PolarHBondContact O-N 2.92Å; N175-L178 PolarHBondContact O-N 2.9Å; N175-N179 WeakPolarHBondContact O-CB 3.41Å; N175-N179 PolarHBondContact O-N 2.89Å |
| 176 | K | 92.2 | Very high | 92.6 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 173 | 168.8 | -179.2 | 152.9 | 179.6 | 0 | 111.6 | Y172 Q173 I174 L180 D233 F234 | Y172-K176 WeakPolarHBondContact O-CB 3.24Å; Y172-K176 PolarHBondContact O-N 2.81Å; Q173-K176 WeakPolarHBondContact O-CB 3.12Å; Q173-K176 PolarHBondContact O-N 3.06Å; I174-K176 VanDerWaalsContact C-N 3.27Å; I174-K176 PolarHBondContact O-N 3.3Å; K176-L180 PolarHBondContact O-N 3.07Å; K176-L180 VanDerWaalsContact O-N 3.09Å; K176-D233 HydrophobicContact CD-CB 3.84Å; K176-D233 HydrophobicContact CG-CB 4.17Å; K176-D233 PolarHBondContact NZ-O 3.21Å; K176-F234 VanDerWaalsContact CE-CZ 3.49Å |
| 177 | F | 92.4 | Very high | 93 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.1 | -42.1 | 177.9 | -70 | -73.8 | 0 | 0 | 0 | 112 | Q173 I174 N179 L180 F181 F234 | Q173-F177 WeakPolarHBondContact O-CD2 3.28Å; Q173-F177 PolarHBondContact O-N 2.98Å; I174-F177 PolarHBondContact O-N 3.48Å; F177-N179 VanDerWaalsContact C-N 3.31Å; F177-N179 PolarHBondContact O-N 3.25Å; F177-L180 PolarHBondContact O-N 3.49Å; F177-F181 PolarHBondContact O-N 3.4Å; F177-F234 HydrophobicContact CE1-CE1 4.26Å |
| 178 | L | 94.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 44% | 0.44 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.5 | -173.2 | 64.5 | 0 | 0 | 0 | 111.9 | T154 I174 N175 F181 T182 | T154-L178 HydrophobicContact CG2-CD2 3.83Å; T154-L178 HydrophobicContact CG2-CG 3.83Å; I174-L178 PolarHBondContact O-N 3.02Å; N175-L178 PolarHBondContact O-N 2.9Å; L178-F181 PolarHBondContact O-N 3.08Å; L178-T182 HydrophobicContact CD1-CG2 4.31Å; L178-T182 HydrophobicContact CG-CG2 4.43Å; L178-T182 WeakPolarHBondContact O-CB 3.31Å; L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 2.94Å; L178-T182 PolarHBondContact O-OG1 3.08Å |
| 179 | N | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 174.9 | 176.6 | 75.9 | 0 | 0 | 0 | 111.3 | N151 T154 L155 N175 F177 T182 Y183 L229 | N151-N179 PolarHBondContact ND2-O 2.95Å; N151-N179 VanDerWaalsContact ND2-O 3.08Å; N151-N179 PolarHBondContact ND2-OD1 3.22Å; T154-N179 VanDerWaalsContact OG1-CA 3.3Å; T154-N179 WeakPolarHBondContact OG1-CA 3.45Å; T154-N179 PolarHBondContact OG1-OD1 2.88Å; L155-N179 WeakPolarHBondContact CA-OD1 3.48Å; L155-N179 WeakPolarHBondContact CB-OD1 3.38Å; L155-N179 PolarHBondContact N-OD1 3.3Å; N175-N179 WeakPolarHBondContact O-CB 3.41Å; N175-N179 PolarHBondContact O-N 2.89Å; F177-N179 VanDerWaalsContact C-N 3.31Å; F177-N179 PolarHBondContact O-N 3.25Å; N179-T182 PolarHBondContact O-OG1 3.2Å; N179-Y183 WeakPolarHBondContact O-CB 3.26Å; N179-Y183 PolarHBondContact O-N 3.34Å; N179-L229 VanDerWaalsContact ND2-CD2 3.27Å; N179-L229 WeakPolarHBondContact ND2-CD2 3.26Å |
| 180 | L | 94.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.2 | 179.7 | 60.9 | 0 | 0 | 0 | 111.9 | K176 F177 Y183 I184 F226 L230 F234 | K176-L180 PolarHBondContact O-N 3.07Å; K176-L180 VanDerWaalsContact O-N 3.09Å; F177-L180 PolarHBondContact O-N 3.49Å; L180-Y183 WeakPolarHBondContact O-CB 3.27Å; L180-Y183 PolarHBondContact O-N 3.33Å; L180-I184 HydrophobicContact CD1-CD1 4.25Å; L180-I184 HydrophobicContact CG-CD1 4.41Å; L180-I184 PolarHBondContact O-N 3.12Å; L180-F226 HydrophobicContact CD1-CE2 3.71Å; L180-F226 HydrophobicContact CD1-CZ 4.17Å; L180-L230 HydrophobicContact CD1-CD2 4.01Å; L180-F234 HydrophobicContact CD2-CE2 3.96Å; L180-F234 HydrophobicContact CD2-CZ 3.79Å |
| 181 | F | 95.9 | Very high | 94.7 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -53.7 | 179.1 | 173.3 | -101.6 | 0 | 0 | 0 | 111.8 | F177 L178 Y183 I184 V185 | F177-F181 PolarHBondContact O-N 3.4Å; L178-F181 PolarHBondContact O-N 3.08Å; F181-Y183 PolarHBondContact O-N 3.46Å; F181-I184 PolarHBondContact O-N 3.05Å; F181-V185 HydrophobicContact CD2-CG2 4.11Å; F181-V185 HydrophobicContact CE1-CG2 4.19Å; F181-V185 HydrophobicContact CE2-CG2 3.7Å; F181-V185 HydrophobicContact CZ-CG2 3.75Å; F181-V185 WeakPolarHBondContact O-CG2 3.41Å; F181-V185 PolarHBondContact O-N 3.39Å |
| 182 | T | 96.4 | Very high | 95 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -30.9 | 179.9 | 55 | 0 | 0 | 0 | 0 | 112.1 | N151 T154 L178 N179 F186 | N151-T182 PolarHBondContact ND2-OG1 3.22Å; T154-T182 HydrophobicContact CG2-CG2 4.17Å; T154-T182 PolarHBondContact OG1-OG1 3.33Å; T154-T182 VanDerWaalsContact OG1-OG1 3.06Å; L178-T182 HydrophobicContact CD1-CG2 4.31Å; L178-T182 HydrophobicContact CG-CG2 4.43Å; L178-T182 WeakPolarHBondContact O-CB 3.31Å; L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 2.94Å; L178-T182 PolarHBondContact O-OG1 3.08Å; N179-T182 PolarHBondContact O-OG1 3.2Å; T182-F186 HydrophobicContact CG2-CD2 4.34Å; T182-F186 WeakPolarHBondContact O-CB 3.09Å; T182-F186 PolarHBondContact O-N 3.03Å |
| 183 | Y | 96.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -61.7 | -46.2 | 175.4 | -165 | -74.9 | 0 | 0 | 0 | 111.3 | N151 N179 L180 F181 R187 L188 I222 F226 L229 | N151-Y183 WeakPolarHBondContact ND2-CA 3.3Å; N151-Y183 PolarHBondContact ND2-N 3.27Å; N151-Y183 VanDerWaalsContact ND2-N 3.13Å; N151-Y183 WeakPolarHBondContact OD1-CD2 3.43Å; N179-Y183 WeakPolarHBondContact O-CB 3.26Å; N179-Y183 PolarHBondContact O-N 3.34Å; L180-Y183 WeakPolarHBondContact O-CB 3.27Å; L180-Y183 PolarHBondContact O-N 3.33Å; F181-Y183 PolarHBondContact O-N 3.46Å; Y183-R187 WeakPolarHBondContact O-CA 3.35Å; Y183-R187 VanDerWaalsContact O-CB 3.25Å; Y183-R187 WeakPolarHBondContact O-CB 3.45Å; Y183-R187 PolarHBondContact O-N 3.2Å; Y183-R187 VanDerWaalsContact O-N 3.15Å; Y183-L188 HydrophobicContact CD1-CD1 4.23Å; Y183-L188 HydrophobicContact CD1-CG 3.97Å; Y183-L188 HydrophobicContact CE1-CD1 4.28Å; Y183-L188 HydrophobicContact CE1-CD2 3.91Å; Y183-L188 HydrophobicContact CE1-CG 3.88Å; Y183-L188 PolarHBondContact O-N 3.05Å; Y183-I222 HydrophobicContact CE1-CG2 4.17Å; Y183-I222 VanDerWaalsContact OH-CG2 3.22Å; Y183-I222 WeakPolarHBondContact OH-CG2 3.37Å; Y183-I222 PolarHBondContact OH-O 3.16Å; Y183-F226 AromaticContact CD1-CD2 3.41Å; Y183-F226 HydrophobicContact CD1-CD2 3.41Å; Y183-F226 VanDerWaalsContact CD1-CD2 3.41Å; Y183-F226 AromaticContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CG 4.21Å; Y183-F226 HydrophobicContact CE1-CB 3.67Å; Y183-F226 AromaticContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CE2 4.12Å; Y183-F226 AromaticContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE2-CD2 4.47Å; Y183-F226 HydrophobicContact CG-CD2 4.09Å; Y183-F226 HydrophobicContact CG-CE2 4.43Å; Y183-F226 AromaticContact CZ-CD2 3.88Å; Y183-F226 WeakPolarHBondContact OH-CB 3.48Å; Y183-F226 PolarHBondContact OH-N 3.01Å; Y183-L229 HydrophobicContact CD2-CD2 4.27Å |
| 184 | I | 95.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 41% | 0.41 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -68.2 | -51.5 | 178.8 | -63.7 | 168.1 | 0 | 0 | 0 | 109.7 | L180 F181 L188 S189 | L180-I184 HydrophobicContact CD1-CD1 4.25Å; L180-I184 HydrophobicContact CG-CD1 4.41Å; L180-I184 PolarHBondContact O-N 3.12Å; F181-I184 PolarHBondContact O-N 3.05Å; I184-L188 HydrophobicContact CG1-CD1 4.37Å; I184-S189 PolarHBondContact O-N 3.47Å; I184-S189 PolarHBondContact O-OG 3.5Å; I184-S189 VanDerWaalsContact O-OG 3.08Å |
| 185 | V | 96.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -68.8 | -48.6 | -171.6 | 174.9 | 0 | 0 | 0 | 0 | 112.4 | F181 S189 | F181-V185 HydrophobicContact CD2-CG2 4.11Å; F181-V185 HydrophobicContact CE1-CG2 4.19Å; F181-V185 HydrophobicContact CE2-CG2 3.7Å; F181-V185 HydrophobicContact CZ-CG2 3.75Å; F181-V185 WeakPolarHBondContact O-CG2 3.41Å; F181-V185 PolarHBondContact O-N 3.39Å; V185-S189 WeakPolarHBondContact O-CB 3.43Å; V185-S189 PolarHBondContact O-OG 3.3Å |
| 186 | F | 96.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -99.5 | -29.8 | -171.1 | -71.3 | -81.6 | 0 | 0 | 0 | 113.7 | M67 F147 V150 T182 A190 | M67-F186 HydrophobicContact CG-CE1 4.39Å; M67-F186 HydrophobicContact SD-CE1 3.82Å; M67-F186 HydrophobicContact SD-CZ 4.09Å; F147-F186 HydrophobicContact CB-CD1 4.43Å; F147-F186 HydrophobicContact CD2-CD1 4.4Å; F147-F186 WeakPolarHBondContact O-CB 3.34Å; V150-F186 HydrophobicContact CB-CB 4.15Å; V150-F186 HydrophobicContact CB-CD1 3.94Å; V150-F186 HydrophobicContact CB-CD2 4.14Å; V150-F186 HydrophobicContact CB-CE1 4.37Å; V150-F186 HydrophobicContact CB-CG 3.82Å; V150-F186 HydrophobicContact CG1-CD1 4.11Å; V150-F186 HydrophobicContact CG1-CD2 3.68Å; V150-F186 HydrophobicContact CG1-CE1 4.16Å; V150-F186 HydrophobicContact CG1-CE2 3.74Å; V150-F186 HydrophobicContact CG1-CG 3.88Å; V150-F186 HydrophobicContact CG1-CZ 3.98Å; V150-F186 HydrophobicContact CG2-CD1 3.98Å; V150-F186 HydrophobicContact CG2-CE1 4.19Å; V150-F186 HydrophobicContact CG2-CG 4.37Å; T182-F186 HydrophobicContact CG2-CD2 4.34Å; T182-F186 WeakPolarHBondContact O-CB 3.09Å; T182-F186 PolarHBondContact O-N 3.03Å; F186-A190 WeakPolarHBondContact O-CB 3.42Å |
| 187 | R | 96.4 | Very high | 96 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -92.9 | -53.8 | -177.8 | -179.6 | 172.2 | -77.8 | 172.6 | -6.9 | 112.5 | V148 N151 S152 Y183 Q191 I222 | V148-R187 HydrophobicContact CB-CB 4.49Å; V148-R187 HydrophobicContact CB-CG 4.35Å; V148-R187 HydrophobicContact CG1-CB 4.32Å; V148-R187 HydrophobicContact CG1-CG 4.06Å; N151-R187 HydrophobicContact CB-CB 4.25Å; N151-R187 PolarHBondContact OD1-NE 3.04Å; N151-R187 PolarHBondContact OD1-NH1 3.16Å; S152-R187 PolarHBondContact OG-NH2 2.96Å; Y183-R187 WeakPolarHBondContact O-CA 3.35Å; Y183-R187 VanDerWaalsContact O-CB 3.25Å; Y183-R187 WeakPolarHBondContact O-CB 3.45Å; Y183-R187 PolarHBondContact O-N 3.2Å; Y183-R187 VanDerWaalsContact O-N 3.15Å; R187-Q191 PolarHBondContact O-N 3.46Å; R187-I222 HydrophobicContact CG-CD1 4.21Å; R187-I222 HydrophobicContact CG-CG2 4.15Å |
| 188 | L | 95.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -69.3 | -45.5 | 179.4 | -65.8 | -179.4 | 0 | 0 | 0 | 112 | Y183 I184 A190 Q191 F192 I222 | Y183-L188 HydrophobicContact CD1-CD1 4.23Å; Y183-L188 HydrophobicContact CD1-CG 3.97Å; Y183-L188 HydrophobicContact CE1-CD1 4.28Å; Y183-L188 HydrophobicContact CE1-CD2 3.91Å; Y183-L188 HydrophobicContact CE1-CG 3.88Å; Y183-L188 PolarHBondContact O-N 3.05Å; I184-L188 HydrophobicContact CG1-CD1 4.37Å; L188-A190 PolarHBondContact O-N 2.99Å; L188-Q191 PolarHBondContact O-N 3.5Å; L188-F192 VanDerWaalsContact O-CB 3.27Å; L188-F192 WeakPolarHBondContact O-CB 3.28Å; L188-F192 PolarHBondContact O-N 3.44Å; L188-I222 HydrophobicContact CD2-CG2 3.72Å |
| 189 | S | 96.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 43% | 0.434 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.6 | -42.4 | -179.3 | -45.2 | 0 | 0 | 0 | 0 | 113 | I184 V185 Q191 F192 Y193 | I184-S189 PolarHBondContact O-N 3.47Å; I184-S189 PolarHBondContact O-OG 3.5Å; I184-S189 VanDerWaalsContact O-OG 3.08Å; V185-S189 WeakPolarHBondContact O-CB 3.43Å; V185-S189 PolarHBondContact O-OG 3.3Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-Q191 PolarHBondContact O-N 2.96Å; S189-F192 PolarHBondContact O-N 3.33Å; S189-Y193 WeakPolarHBondContact O-CB 3.41Å; S189-Y193 PolarHBondContact O-N 3.33Å |
| 190 | A | 96.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V144 F147 F186 L188 Y193 L194 | V144-A190 HydrophobicContact CG1-CB 4.45Å; F147-A190 HydrophobicContact CB-CB 3.99Å; F186-A190 WeakPolarHBondContact O-CB 3.42Å; L188-A190 PolarHBondContact O-N 2.99Å; A190-Y193 PolarHBondContact O-N 2.85Å; A190-L194 WeakPolarHBondContact O-CG 3.34Å; A190-L194 PolarHBondContact O-N 3.36Å |
| 191 | Q | 95.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71 | -36.6 | 177.2 | -73.9 | -61.8 | 35.9 | 0 | 0 | 114 | R187 L188 S189 Y193 L194 T195 M215 N219 I222 | R187-Q191 PolarHBondContact O-N 3.46Å; L188-Q191 PolarHBondContact O-N 3.5Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-Q191 PolarHBondContact O-N 2.96Å; Q191-Y193 VanDerWaalsContact C-N 3.32Å; Q191-L194 PolarHBondContact O-N 3.47Å; Q191-T195 VanDerWaalsContact O-CB 3.24Å; Q191-T195 WeakPolarHBondContact O-CB 3.38Å; Q191-T195 PolarHBondContact O-N 3.48Å; Q191-T195 PolarHBondContact O-OG1 3.38Å; Q191-M215 PolarHBondContact OE1-SD 3.42Å; Q191-N219 WeakPolarHBondContact CB-OD1 3.45Å; Q191-I222 HydrophobicContact CG-CD1 3.59Å |
| 192 | F | 97 | Very high | 95.9 | Very high | 153 Ų | 153 | 54.7 Ų | 54.7 | 67% | 0.671 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59 | -48 | 171.9 | 177.5 | -98.3 | 0 | 0 | 0 | 110.6 | L188 S189 T195 Y196 | L188-F192 VanDerWaalsContact O-CB 3.27Å; L188-F192 WeakPolarHBondContact O-CB 3.28Å; L188-F192 PolarHBondContact O-N 3.44Å; S189-F192 PolarHBondContact O-N 3.33Å; F192-T195 PolarHBondContact O-N 3.39Å; F192-Y196 VanDerWaalsContact O-CB 3.26Å; F192-Y196 WeakPolarHBondContact O-CB 3.42Å; F192-Y196 PolarHBondContact O-N 3.15Å |
| 193 | Y | 97.3 | Very high | 95.5 | Very high | 72 Ų | 72 | 60 Ų | 60 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 178.3 | 172.1 | -93.6 | 0 | 0 | 0 | 112.3 | A77 I80 V144 S189 A190 Q191 Y196 Y197 | A77-Y193 PolarHBondContact O-OH 2.88Å; I80-Y193 HydrophobicContact CD1-CE1 3.91Å; I80-Y193 HydrophobicContact CG1-CE1 4.13Å; I80-Y193 WeakPolarHBondContact CG1-OH 3.47Å; V144-Y193 HydrophobicContact CG1-CD1 3.86Å; V144-Y193 HydrophobicContact CG1-CE1 4.26Å; S189-Y193 WeakPolarHBondContact O-CB 3.41Å; S189-Y193 PolarHBondContact O-N 3.33Å; A190-Y193 PolarHBondContact O-N 2.85Å; Q191-Y193 VanDerWaalsContact C-N 3.32Å; Y193-Y196 PolarHBondContact O-N 3.2Å; Y193-Y197 WeakPolarHBondContact O-CB 3.33Å; Y193-Y197 PolarHBondContact O-N 2.86Å |
| 194 | L | 96.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 178.8 | -70.3 | 175.3 | 0 | 0 | 0 | 112.4 | V144 A145 A190 Q191 Y197 I198 M215 | V144-L194 HydrophobicContact CB-CD2 4.15Å; V144-L194 HydrophobicContact CG1-CD1 4.29Å; V144-L194 HydrophobicContact CG1-CD2 4.05Å; V144-L194 HydrophobicContact CG1-CG 4.01Å; A145-L194 HydrophobicContact CB-CD1 3.7Å; A190-L194 WeakPolarHBondContact O-CG 3.34Å; A190-L194 PolarHBondContact O-N 3.36Å; Q191-L194 PolarHBondContact O-N 3.47Å; L194-Y197 PolarHBondContact O-N 2.98Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.21Å; L194-I198 PolarHBondContact O-N 2.84Å; L194-M215 HydrophobicContact CB-CE 3.64Å; L194-M215 HydrophobicContact CD1-CE 4.12Å |
| 195 | T | 96.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 64.5 Ų | 64.5 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | Q191 F192 Y197 I198 V199 M215 N219 | Q191-T195 VanDerWaalsContact O-CB 3.24Å; Q191-T195 WeakPolarHBondContact O-CB 3.38Å; Q191-T195 PolarHBondContact O-N 3.48Å; Q191-T195 PolarHBondContact O-OG1 3.38Å; F192-T195 PolarHBondContact O-N 3.39Å; T195-Y197 VanDerWaalsContact C-N 3.34Å; T195-Y197 PolarHBondContact O-N 2.94Å; T195-I198 PolarHBondContact O-N 2.88Å; T195-V199 HydrophobicContact CG2-CG2 4.5Å; T195-V199 WeakPolarHBondContact O-CG2 3.18Å; T195-V199 PolarHBondContact O-N 2.83Å; T195-M215 HydrophobicContact CG2-CG 4.39Å; T195-M215 WeakPolarHBondContact OG1-CG 3.19Å; T195-N219 PolarHBondContact OG1-ND2 3.11Å |
| 196 | Y | 96.8 | Very high | 94.2 | Very high | 128 Ų | 128 | 65.1 Ų | 65.1 | 50% | 0.502 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 174.9 | 169.9 | -98.6 | 0 | 0 | 0 | 111.1 | F192 Y193 I198 V199 Q200 | F192-Y196 VanDerWaalsContact O-CB 3.26Å; F192-Y196 WeakPolarHBondContact O-CB 3.42Å; F192-Y196 PolarHBondContact O-N 3.15Å; Y193-Y196 PolarHBondContact O-N 3.2Å; Y196-I198 PolarHBondContact O-N 3.37Å; Y196-V199 PolarHBondContact O-N 3.5Å; Y196-Q200 HydrophobicContact CD1-CG 4.4Å; Y196-Q200 HydrophobicContact CD2-CG 3.91Å; Y196-Q200 HydrophobicContact CE1-CG 4.03Å; Y196-Q200 HydrophobicContact CE2-CG 3.5Å; Y196-Q200 VanDerWaalsContact CE2-CG 3.5Å; Y196-Q200 HydrophobicContact CG-CG 4.35Å; Y196-Q200 WeakPolarHBondContact O-CB 3.44Å; Y196-Q200 VanDerWaalsContact O-CG 3.31Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 2.93Å |
| 197 | Y | 95.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 69.6 Ų | 69.6 | 13% | 0.125 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 178.1 | -178.7 | -90.3 | 0 | 0 | 0 | 112.3 | I80 H81 Y193 L194 T195 V199 Q200 N201 | I80-Y197 HydrophobicContact CB-CD1 4.25Å; I80-Y197 HydrophobicContact CB-CD2 4.22Å; I80-Y197 HydrophobicContact CB-CE1 3.82Å; I80-Y197 HydrophobicContact CB-CE2 3.8Å; I80-Y197 HydrophobicContact CB-CG 4.44Å; I80-Y197 HydrophobicContact CG1-CD2 4.09Å; I80-Y197 HydrophobicContact CG1-CE2 4.07Å; I80-Y197 HydrophobicContact CG1-CG 4.4Å; I80-Y197 HydrophobicContact CG2-CD1 3.93Å; I80-Y197 HydrophobicContact CG2-CE1 3.64Å; I80-Y197 HydrophobicContact CG2-CE2 4.5Å; I80-Y197 HydrophobicContact CG2-CG 4.47Å; H81-Y197 PolarHBondContact N-OH 3.38Å; Y193-Y197 WeakPolarHBondContact O-CB 3.33Å; Y193-Y197 PolarHBondContact O-N 2.86Å; L194-Y197 PolarHBondContact O-N 2.98Å; T195-Y197 VanDerWaalsContact C-N 3.34Å; T195-Y197 PolarHBondContact O-N 2.94Å; Y197-V199 PolarHBondContact O-N 3.21Å; Y197-Q200 PolarHBondContact O-N 3.47Å; Y197-N201 WeakPolarHBondContact CE2-ND2 3.41Å; Y197-N201 WeakPolarHBondContact O-CB 3.28Å; Y197-N201 PolarHBondContact O-N 3.08Å; Y197-N201 PolarHBondContact O-ND2 2.88Å |
| 198 | I | 95.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 179.4 | -67.7 | 162.6 | 0 | 0 | 0 | 110.7 | L194 T195 Y196 Y202 M205 F211 L212 M215 | L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.21Å; L194-I198 PolarHBondContact O-N 2.84Å; T195-I198 PolarHBondContact O-N 2.88Å; Y196-I198 PolarHBondContact O-N 3.37Å; I198-Y202 VanDerWaalsContact O-CA 3.23Å; I198-Y202 WeakPolarHBondContact O-CA 3.36Å; I198-Y202 WeakPolarHBondContact O-CB 3.49Å; I198-Y202 PolarHBondContact O-N 2.99Å; I198-M205 HydrophobicContact CB-SD 4.39Å; I198-M205 HydrophobicContact CG1-CE 4.2Å; I198-M205 HydrophobicContact CG1-SD 4.04Å; I198-M205 HydrophobicContact CG2-SD 4.18Å; I198-F211 HydrophobicContact CD1-CB 3.99Å; I198-F211 HydrophobicContact CG1-CB 4.39Å; I198-L212 HydrophobicContact CG2-CB 3.97Å; I198-L212 HydrophobicContact CG2-CD1 4.14Å; I198-M215 HydrophobicContact CD1-CB 4.02Å; I198-M215 HydrophobicContact CD1-CE 3.88Å; I198-M215 HydrophobicContact CD1-CG 4.14Å |
| 199 | V | 95.6 | Very high | 93.3 | Very high | 79 Ų | 79 | 67.5 Ų | 67.5 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | -178.6 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | T195 Y196 Y197 N201 L212 | T195-V199 HydrophobicContact CG2-CG2 4.5Å; T195-V199 WeakPolarHBondContact O-CG2 3.18Å; T195-V199 PolarHBondContact O-N 2.83Å; Y196-V199 PolarHBondContact O-N 3.5Å; Y197-V199 PolarHBondContact O-N 3.21Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.86Å; V199-L212 HydrophobicContact CG2-CD1 4.14Å |
| 200 | Q | 95.1 | Very high | 93.1 | Very high | 115 Ų | 115 | 67.5 Ų | 67.5 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 179.9 | -70.1 | -58.3 | -51.2 | 0 | 0 | 112.7 | Y196 Y197 | Y196-Q200 HydrophobicContact CD1-CG 4.4Å; Y196-Q200 HydrophobicContact CD2-CG 3.91Å; Y196-Q200 HydrophobicContact CE1-CG 4.03Å; Y196-Q200 HydrophobicContact CE2-CG 3.5Å; Y196-Q200 VanDerWaalsContact CE2-CG 3.5Å; Y196-Q200 HydrophobicContact CG-CG 4.35Å; Y196-Q200 WeakPolarHBondContact O-CB 3.44Å; Y196-Q200 VanDerWaalsContact O-CG 3.31Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 2.93Å; Y197-Q200 PolarHBondContact O-N 3.47Å |
| 201 | N | 92.9 | Very high | 93 | Very high | 54 Ų | 54 | 68 Ų | 68 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 12 | -176.6 | -61 | -81.6 | 0 | 0 | 0 | 112.9 | Y197 V199 S203 W204 M205 | Y197-N201 WeakPolarHBondContact CE2-ND2 3.41Å; Y197-N201 WeakPolarHBondContact O-CB 3.28Å; Y197-N201 PolarHBondContact O-N 3.08Å; Y197-N201 PolarHBondContact O-ND2 2.88Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.86Å; N201-S203 VanDerWaalsContact C-N 3.29Å; N201-S203 PolarHBondContact O-N 3.3Å; N201-S203 VanDerWaalsContact O-N 3.16Å; N201-W204 PolarHBondContact O-N 2.89Å; N201-M205 VanDerWaalsContact O-CB 3.3Å; N201-M205 WeakPolarHBondContact O-CB 3.45Å; N201-M205 PolarHBondContact O-N 2.94Å |
| 202 | Y | 91.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 69.7 Ų | 69.7 | 45% | 0.447 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -40.3 | -168.1 | -176.9 | -97.1 | 0 | 0 | 0 | 114 | I198 W204 G208 L212 | I198-Y202 VanDerWaalsContact O-CA 3.23Å; I198-Y202 WeakPolarHBondContact O-CA 3.36Å; I198-Y202 WeakPolarHBondContact O-CB 3.49Å; I198-Y202 PolarHBondContact O-N 2.99Å; Y202-W204 VanDerWaalsContact C-N 3.31Å; Y202-W204 PolarHBondContact O-N 3.4Å; Y202-G208 VanDerWaalsContact CE2-C 3.48Å; Y202-L212 HydrophobicContact CD2-CD2 4.09Å; Y202-L212 HydrophobicContact CE2-CB 4.23Å; Y202-L212 HydrophobicContact CE2-CD2 3.74Å |
| 203 | S | 88.8 | Confident | 92.9 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 85% | 0.846 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25 | -178.1 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | N201 | N201-S203 VanDerWaalsContact C-N 3.29Å; N201-S203 PolarHBondContact O-N 3.3Å; N201-S203 VanDerWaalsContact O-N 3.16Å |
| 204 | W | 87.9 | Confident | 92.8 | Very high | 161 Ų | 161 | 63.8 Ų | 63.8 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -18.3 | -178.1 | -178.5 | 78.1 | 0 | 0 | 0 | 112.8 | H81 N201 Y202 D206 | H81-W204 HydrophobicContact CB-CH2 4.23Å; H81-W204 HydrophobicContact CB-CZ3 4.02Å; H81-W204 AromaticContact CD2-CH2 3.55Å; H81-W204 AromaticContact CD2-CZ3 3.36Å; H81-W204 WeakPolarHBondContact CD2-CZ3 3.32Å; H81-W204 AromaticContact CE1-CH2 3.76Å; H81-W204 AromaticContact CG-CH2 3.58Å; H81-W204 AromaticContact CG-CZ3 3.62Å; H81-W204 AromaticContact ND1-CH2 3.7Å; H81-W204 AromaticContact NE2-CH2 3.7Å; H81-W204 AromaticContact NE2-CZ3 3.9Å; N201-W204 PolarHBondContact O-N 2.89Å; Y202-W204 VanDerWaalsContact C-N 3.31Å; Y202-W204 PolarHBondContact O-N 3.4Å; W204-D206 PolarHBondContact O-N 3.15Å |
| 205 | M | 87.7 | Confident | 92.8 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -72.1 | 127.6 | -174.7 | -167.1 | -179 | -179.7 | 0 | 0 | 112.2 | Y138 I198 N201 K207 G208 F211 | Y138-M205 HydrophobicContact CD1-CE 3.93Å; Y138-M205 HydrophobicContact CE1-CE 3.6Å; Y138-M205 HydrophobicContact CE1-CG 3.99Å; Y138-M205 HydrophobicContact CE2-CE 4.22Å; Y138-M205 HydrophobicContact CG-CE 4.37Å; Y138-M205 WeakPolarHBondContact OH-CG 3.14Å; I198-M205 HydrophobicContact CB-SD 4.39Å; I198-M205 HydrophobicContact CG1-CE 4.2Å; I198-M205 HydrophobicContact CG1-SD 4.04Å; I198-M205 HydrophobicContact CG2-SD 4.18Å; N201-M205 VanDerWaalsContact O-CB 3.3Å; N201-M205 WeakPolarHBondContact O-CB 3.45Å; N201-M205 PolarHBondContact O-N 2.94Å; M205-K207 PolarHBondContact O-N 2.93Å; M205-K207 VanDerWaalsContact O-N 3.11Å; M205-G208 PolarHBondContact O-N 3.25Å; M205-G208 VanDerWaalsContact O-N 3.08Å; M205-F211 HydrophobicContact CE-CB 3.91Å; M205-F211 HydrophobicContact CE-CD1 4.46Å; M205-F211 HydrophobicContact CE-CD2 3.24Å; M205-F211 HydrophobicContact CE-CE2 3.77Å; M205-F211 HydrophobicContact CE-CG 3.63Å; M205-F211 HydrophobicContact SD-CB 4.49Å; M205-F211 HydrophobicContact SD-CD2 4.28Å |
| 206 | D | 86.8 | Confident | 92.7 | Very high | 71 Ų | 71 | 66.3 Ų | 66.3 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 118.5 | 168.5 | -59.1 | -72.9 | 0 | 0 | 0 | 109.6 | H81 Y138 W204 G208 | H81-D206 IonicContact CD2-OD2 4Å; H81-D206 IonicContact CE1-OD2 3.83Å; H81-D206 IonicContact NE2-OD2 2.96Å; H81-D206 PolarHBondContact NE2-OD2 3.42Å; Y138-D206 HydrophobicContact CE2-CB 4.27Å; Y138-D206 WeakPolarHBondContact OH-CB 3.42Å; Y138-D206 PolarHBondContact OH-N 2.97Å; Y138-D206 PolarHBondContact OH-OD2 3.44Å; W204-D206 PolarHBondContact O-N 3.15Å; D206-G208 VanDerWaalsContact C-N 3.31Å; D206-G208 PolarHBondContact O-N 3.46Å |
| 207 | K | 90 | Very high | 92.7 | Very high | 137 Ų | 137 | 64.3 Ų | 64.3 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 38.7 | -177.5 | -49.7 | -64 | -175.1 | -177.5 | 0 | 113.2 | Y131 M205 G209 Y210 F211 | Y131-K207 HydrophobicContact CE2-CG 3.99Å; M205-K207 PolarHBondContact O-N 2.93Å; M205-K207 VanDerWaalsContact O-N 3.11Å; K207-G209 VanDerWaalsContact C-N 3.26Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-G209 VanDerWaalsContact O-N 3.11Å; K207-Y210 HydrophobicContact CB-CG 4.46Å; K207-Y210 VanDerWaalsContact O-CB 3.24Å; K207-Y210 WeakPolarHBondContact O-CB 3.21Å; K207-Y210 PolarHBondContact O-N 3.06Å; K207-F211 PolarHBondContact O-N 3.44Å |
| 208 | G | 88.8 | Confident | 92.8 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -48.5 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y202 M205 D206 Y210 F211 L212 | Y202-G208 VanDerWaalsContact CE2-C 3.48Å; M205-G208 PolarHBondContact O-N 3.25Å; M205-G208 VanDerWaalsContact O-N 3.08Å; D206-G208 VanDerWaalsContact C-N 3.31Å; D206-G208 PolarHBondContact O-N 3.46Å; G208-Y210 PolarHBondContact O-N 3.4Å; G208-F211 PolarHBondContact O-N 3.13Å; G208-L212 VanDerWaalsContact O-CB 3.31Å; G208-L212 WeakPolarHBondContact O-CB 3.47Å; G208-L212 PolarHBondContact O-N 2.92Å |
| 209 | G | 90.8 | Very high | 92.8 | Very high | 29 Ų | 29 | 65 Ų | 65 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | K207 L212 V213 | K207-G209 VanDerWaalsContact C-N 3.26Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-G209 VanDerWaalsContact O-N 3.11Å; G209-L212 PolarHBondContact O-N 2.92Å; G209-V213 WeakPolarHBondContact O-CG2 3.16Å; G209-V213 PolarHBondContact O-N 3.18Å |
| 210 | Y | 92 | Very high | 92.8 | Very high | 61 Ų | 61 | 64.7 Ų | 64.7 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.3 | 169.7 | -79.9 | 0 | 0 | 0 | 111.4 | W127 K207 G208 T214 | W127-Y210 VanDerWaalsContact C-OH 3.29Å; W127-Y210 AromaticContact CD1-CE1 3.71Å; W127-Y210 AromaticContact CD1-CE2 3.48Å; W127-Y210 VanDerWaalsContact CD1-CE2 3.48Å; W127-Y210 AromaticContact CD1-CZ 3.09Å; W127-Y210 HydrophobicContact CD2-CE2 4.26Å; W127-Y210 AromaticContact CE2-CE2 3.3Å; W127-Y210 AromaticContact CE2-CZ 3.68Å; W127-Y210 HydrophobicContact CG-CE2 4.31Å; W127-Y210 AromaticContact CG-CZ 3.87Å; W127-Y210 VanDerWaalsContact CG-OH 3.27Å; W127-Y210 HydrophobicContact CZ2-CD2 4.43Å; W127-Y210 AromaticContact CZ2-CE2 3.7Å; W127-Y210 HydrophobicContact CZ2-CE2 3.7Å; W127-Y210 AromaticContact NE1-CD2 3.45Å; W127-Y210 AromaticContact NE1-CE1 3.86Å; W127-Y210 AromaticContact NE1-CE2 2.77Å; W127-Y210 AromaticContact NE1-CZ 2.98Å; W127-Y210 PolarHBondContact NE1-OH 3.16Å; W127-Y210 VanDerWaalsContact NE1-OH 3.15Å; W127-Y210 PolarHBondContact O-OH 3.24Å; K207-Y210 HydrophobicContact CB-CG 4.46Å; K207-Y210 VanDerWaalsContact O-CB 3.24Å; K207-Y210 WeakPolarHBondContact O-CB 3.21Å; K207-Y210 PolarHBondContact O-N 3.06Å; G208-Y210 PolarHBondContact O-N 3.4Å; Y210-T214 PolarHBondContact O-N 3.42Å; Y210-T214 PolarHBondContact O-OG1 2.72Å |
| 211 | F | 93.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.4 | -39 | 179.9 | -73.2 | -68.2 | 0 | 0 | 0 | 111.5 | C128 Y131 Y138 I198 M205 K207 G208 T214 M215 | C128-F211 HydrophobicContact CB-CE1 4.3Å; Y131-F211 HydrophobicContact CD1-CE1 4.47Å; Y131-F211 HydrophobicContact CD1-CE2 4.09Å; Y131-F211 AromaticContact CD1-CZ 3.47Å; Y131-F211 HydrophobicContact CD1-CZ 3.47Å; Y131-F211 VanDerWaalsContact CD1-CZ 3.47Å; Y131-F211 AromaticContact CE1-CE2 3.87Å; Y131-F211 HydrophobicContact CE1-CE2 3.87Å; Y131-F211 AromaticContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CG-CZ 4.18Å; Y138-F211 AromaticContact CD2-CE2 3.73Å; Y138-F211 HydrophobicContact CD2-CE2 3.73Å; Y138-F211 AromaticContact CD2-CZ 3.71Å; Y138-F211 HydrophobicContact CD2-CZ 3.71Å; Y138-F211 AromaticContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CZ 4.2Å; Y138-F211 HydrophobicContact CG-CZ 4.35Å; I198-F211 HydrophobicContact CD1-CB 3.99Å; I198-F211 HydrophobicContact CG1-CB 4.39Å; M205-F211 HydrophobicContact CE-CB 3.91Å; M205-F211 HydrophobicContact CE-CD1 4.46Å; M205-F211 HydrophobicContact CE-CD2 3.24Å; M205-F211 HydrophobicContact CE-CE2 3.77Å; M205-F211 HydrophobicContact CE-CG 3.63Å; M205-F211 HydrophobicContact SD-CB 4.49Å; M205-F211 HydrophobicContact SD-CD2 4.28Å; K207-F211 PolarHBondContact O-N 3.44Å; G208-F211 PolarHBondContact O-N 3.13Å; F211-T214 PolarHBondContact O-N 2.96Å; F211-M215 WeakPolarHBondContact O-CB 3.37Å; F211-M215 PolarHBondContact O-N 3.16Å |
| 212 | L | 94.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 178.3 | -175.3 | 61.9 | 0 | 0 | 0 | 111.7 | I198 V199 Y202 G208 G209 T214 M215 T216 | I198-L212 HydrophobicContact CG2-CB 3.97Å; I198-L212 HydrophobicContact CG2-CD1 4.14Å; V199-L212 HydrophobicContact CG2-CD1 4.14Å; Y202-L212 HydrophobicContact CD2-CD2 4.09Å; Y202-L212 HydrophobicContact CE2-CB 4.23Å; Y202-L212 HydrophobicContact CE2-CD2 3.74Å; G208-L212 VanDerWaalsContact O-CB 3.31Å; G208-L212 WeakPolarHBondContact O-CB 3.47Å; G208-L212 PolarHBondContact O-N 2.92Å; G209-L212 PolarHBondContact O-N 2.92Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-T214 PolarHBondContact O-N 3.5Å; L212-M215 PolarHBondContact O-N 2.94Å; L212-T216 PolarHBondContact O-N 3.47Å; L212-T216 PolarHBondContact O-OG1 3.41Å |
| 213 | V | 96 | Very high | 93 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | G209 M215 T216 L217 | G209-V213 WeakPolarHBondContact O-CG2 3.16Å; G209-V213 PolarHBondContact O-N 3.18Å; V213-M215 VanDerWaalsContact C-N 3.32Å; V213-M215 PolarHBondContact O-N 3.26Å; V213-T216 PolarHBondContact O-N 2.94Å; V213-L217 HydrophobicContact CG1-CD1 4.24Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 3.46Å |
| 214 | T | 95.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 178.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | L124 C128 Y210 F211 L212 L217 M218 | L124-T214 HydrophobicContact CB-CG2 3.98Å; L124-T214 HydrophobicContact CD2-CG2 4.09Å; C128-T214 WeakPolarHBondContact SG-CG2 3.49Å; Y210-T214 PolarHBondContact O-N 3.42Å; Y210-T214 PolarHBondContact O-OG1 2.72Å; F211-T214 PolarHBondContact O-N 2.96Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-T214 PolarHBondContact O-N 3.5Å; T214-L217 PolarHBondContact O-N 2.94Å; T214-M218 WeakPolarHBondContact O-CB 3.46Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 3.05Å |
| 215 | M | 95.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 178.7 | -170.8 | 57.1 | 67.3 | 0 | 0 | 112.2 | Q191 L194 T195 I198 F211 L212 V213 M218 N219 | Q191-M215 PolarHBondContact OE1-SD 3.42Å; L194-M215 HydrophobicContact CB-CE 3.64Å; L194-M215 HydrophobicContact CD1-CE 4.12Å; T195-M215 HydrophobicContact CG2-CG 4.39Å; T195-M215 WeakPolarHBondContact OG1-CG 3.19Å; I198-M215 HydrophobicContact CD1-CB 4.02Å; I198-M215 HydrophobicContact CD1-CE 3.88Å; I198-M215 HydrophobicContact CD1-CG 4.14Å; F211-M215 WeakPolarHBondContact O-CB 3.37Å; F211-M215 PolarHBondContact O-N 3.16Å; L212-M215 PolarHBondContact O-N 2.94Å; V213-M215 VanDerWaalsContact C-N 3.32Å; V213-M215 PolarHBondContact O-N 3.26Å; M215-M218 PolarHBondContact O-N 3.15Å; M215-N219 WeakPolarHBondContact O-CB 3.46Å; M215-N219 PolarHBondContact O-N 3.49Å; M215-N219 PolarHBondContact O-ND2 3.43Å |
| 216 | T | 96.5 | Very high | 93.7 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | L212 V213 M218 N219 T220 | L212-T216 PolarHBondContact O-N 3.47Å; L212-T216 PolarHBondContact O-OG1 3.41Å; V213-T216 PolarHBondContact O-N 2.94Å; T216-M218 PolarHBondContact O-N 3.5Å; T216-N219 PolarHBondContact O-N 3.06Å; T216-T220 PolarHBondContact O-N 2.66Å; T216-T220 PolarHBondContact O-OG1 2.97Å |
| 217 | L | 96.7 | Very high | 94 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 45% | 0.445 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.4 | -68.1 | 174.6 | 0 | 0 | 0 | 111.6 | L124 V213 T214 N219 T220 M221 | L124-L217 HydrophobicContact CD1-CB 3.82Å; L124-L217 HydrophobicContact CD1-CD1 4.4Å; L124-L217 HydrophobicContact CD2-CD1 3.9Å; V213-L217 HydrophobicContact CG1-CD1 4.24Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 3.46Å; T214-L217 PolarHBondContact O-N 2.94Å; L217-N219 PolarHBondContact O-N 2.95Å; L217-T220 PolarHBondContact O-N 3.08Å; L217-M221 WeakPolarHBondContact O-CG 3.49Å; L217-M221 PolarHBondContact O-N 3.02Å |
| 218 | M | 95.9 | Very high | 94 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.8 | -80.6 | -60 | -58.7 | 0 | 0 | 112.3 | H121 L124 V125 T214 M215 T216 M221 I222 | H121-M218 VanDerWaalsContact ND1-CE 3.28Å; H121-M218 WeakPolarHBondContact ND1-CE 3.36Å; H121-M218 PolarHBondContact ND1-SD 2.86Å; H121-M218 VanDerWaalsContact ND1-SD 3.4Å; L124-M218 HydrophobicContact CB-CG 4.37Å; L124-M218 HydrophobicContact CB-SD 4.19Å; L124-M218 HydrophobicContact CD1-CG 4.28Å; L124-M218 HydrophobicContact CD1-SD 4.14Å; V125-M218 HydrophobicContact CG2-CE 4.44Å; V125-M218 HydrophobicContact CG2-SD 4.42Å; T214-M218 WeakPolarHBondContact O-CB 3.46Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 3.05Å; M215-M218 PolarHBondContact O-N 3.15Å; T216-M218 PolarHBondContact O-N 3.5Å; M218-M221 PolarHBondContact O-N 3.22Å; M218-I222 HydrophobicContact CE-CD1 4.38Å; M218-I222 WeakPolarHBondContact O-CB 3.37Å; M218-I222 VanDerWaalsContact O-CG1 3.25Å; M218-I222 WeakPolarHBondContact O-CG1 2.98Å; M218-I222 PolarHBondContact O-N 3.06Å |
| 219 | N | 96.2 | Very high | 94 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.1 | -74.6 | -18.3 | 0 | 0 | 0 | 111.8 | Q191 T195 M215 T216 L217 M221 I222 L223 | Q191-N219 WeakPolarHBondContact CB-OD1 3.45Å; T195-N219 PolarHBondContact OG1-ND2 3.11Å; M215-N219 WeakPolarHBondContact O-CB 3.46Å; M215-N219 PolarHBondContact O-N 3.49Å; M215-N219 PolarHBondContact O-ND2 3.43Å; T216-N219 PolarHBondContact O-N 3.06Å; L217-N219 PolarHBondContact O-N 2.95Å; N219-M221 PolarHBondContact O-N 2.59Å; N219-I222 PolarHBondContact O-N 3.29Å; N219-L223 VanDerWaalsContact O-CG 3.3Å; N219-L223 WeakPolarHBondContact O-CG 3.43Å; N219-L223 PolarHBondContact O-N 3.31Å |
| 220 | T | 96.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | T216 L217 I222 L223 I224 | T216-T220 PolarHBondContact O-N 2.66Å; T216-T220 PolarHBondContact O-OG1 2.97Å; L217-T220 PolarHBondContact O-N 3.08Å; T220-I222 PolarHBondContact O-N 3.35Å; T220-L223 PolarHBondContact O-N 3.5Å; T220-I224 HydrophobicContact CG2-CD1 3.9Å; T220-I224 VanDerWaalsContact O-CG1 3.28Å; T220-I224 WeakPolarHBondContact O-CG1 3.45Å; T220-I224 PolarHBondContact O-N 3.37Å |
| 221 | M | 94.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 177.2 | -68.9 | 178.3 | 69.3 | 0 | 0 | 112.1 | E117 I120 H121 L124 L217 M218 N219 I224 Y225 | E117-M221 WeakPolarHBondContact O-CE 3.5Å; I120-M221 HydrophobicContact CG2-SD 4.25Å; H121-M221 HydrophobicContact CB-CE 3.79Å; L124-M221 HydrophobicContact CD1-SD 4.19Å; L217-M221 WeakPolarHBondContact O-CG 3.49Å; L217-M221 PolarHBondContact O-N 3.02Å; M218-M221 PolarHBondContact O-N 3.22Å; N219-M221 PolarHBondContact O-N 2.59Å; M221-I224 PolarHBondContact O-N 3.13Å; M221-Y225 PolarHBondContact O-N 3.09Å |
| 222 | I | 94.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 177.4 | -73.6 | 169.7 | 0 | 0 | 0 | 109.9 | Y183 R187 L188 Q191 M218 N219 T220 I224 Y225 F226 | Y183-I222 HydrophobicContact CE1-CG2 4.17Å; Y183-I222 VanDerWaalsContact OH-CG2 3.22Å; Y183-I222 WeakPolarHBondContact OH-CG2 3.37Å; Y183-I222 PolarHBondContact OH-O 3.16Å; R187-I222 HydrophobicContact CG-CD1 4.21Å; R187-I222 HydrophobicContact CG-CG2 4.15Å; L188-I222 HydrophobicContact CD2-CG2 3.72Å; Q191-I222 HydrophobicContact CG-CD1 3.59Å; M218-I222 HydrophobicContact CE-CD1 4.38Å; M218-I222 WeakPolarHBondContact O-CB 3.37Å; M218-I222 VanDerWaalsContact O-CG1 3.25Å; M218-I222 WeakPolarHBondContact O-CG1 2.98Å; M218-I222 PolarHBondContact O-N 3.06Å; N219-I222 PolarHBondContact O-N 3.29Å; T220-I222 PolarHBondContact O-N 3.35Å; I222-I224 VanDerWaalsContact C-N 3.33Å; I222-I224 PolarHBondContact O-N 3.11Å; I222-Y225 PolarHBondContact O-N 3.48Å; I222-Y225 VanDerWaalsContact O-N 3.12Å; I222-F226 WeakPolarHBondContact O-CB 3.5Å; I222-F226 PolarHBondContact O-N 3.41Å |
| 223 | L | 94.8 | Very high | 92.5 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 55% | 0.55 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 179.3 | -68.2 | 175 | 0 | 0 | 0 | 112.8 | N219 T220 F226 Y227 | N219-L223 VanDerWaalsContact O-CG 3.3Å; N219-L223 WeakPolarHBondContact O-CG 3.43Å; N219-L223 PolarHBondContact O-N 3.31Å; T220-L223 PolarHBondContact O-N 3.5Å; L223-F226 PolarHBondContact O-N 3.41Å; L223-Y227 WeakPolarHBondContact O-CB 3.38Å; L223-Y227 PolarHBondContact O-N 3.47Å |
| 224 | I | 94.3 | Very high | 91.7 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.6 | -69 | 166.8 | 0 | 0 | 0 | 110.5 | T220 M221 I222 Y227 R228 | T220-I224 HydrophobicContact CG2-CD1 3.9Å; T220-I224 VanDerWaalsContact O-CG1 3.28Å; T220-I224 WeakPolarHBondContact O-CG1 3.45Å; T220-I224 PolarHBondContact O-N 3.37Å; M221-I224 PolarHBondContact O-N 3.13Å; I222-I224 VanDerWaalsContact C-N 3.33Å; I222-I224 PolarHBondContact O-N 3.11Å; I224-Y227 PolarHBondContact O-N 3.21Å; I224-R228 WeakPolarHBondContact O-CG 3.5Å; I224-R228 PolarHBondContact O-N 3.02Å |
| 225 | Y | 91.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 64 Ų | 64 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | 178 | -70.3 | -22.9 | 0 | 0 | 0 | 113.4 | E117 M221 I222 R228 L229 | E117-Y225 WeakPolarHBondContact CB-OH 3.23Å; E117-Y225 WeakPolarHBondContact OE2-CE1 3.28Å; E117-Y225 PolarHBondContact OE2-OH 3.24Å; M221-Y225 PolarHBondContact O-N 3.09Å; I222-Y225 PolarHBondContact O-N 3.48Å; I222-Y225 VanDerWaalsContact O-N 3.12Å; Y225-R228 PolarHBondContact O-N 3.06Å; Y225-L229 WeakPolarHBondContact O-CB 3.28Å; Y225-L229 PolarHBondContact O-N 3.42Å |
| 226 | F | 91.9 | Very high | 89.7 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 173 | -171.1 | -125.6 | 0 | 0 | 0 | 111 | L180 Y183 I222 L223 L229 L230 | L180-F226 HydrophobicContact CD1-CE2 3.71Å; L180-F226 HydrophobicContact CD1-CZ 4.17Å; Y183-F226 AromaticContact CD1-CD2 3.41Å; Y183-F226 HydrophobicContact CD1-CD2 3.41Å; Y183-F226 VanDerWaalsContact CD1-CD2 3.41Å; Y183-F226 AromaticContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CG 4.21Å; Y183-F226 HydrophobicContact CE1-CB 3.67Å; Y183-F226 AromaticContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CE2 4.12Å; Y183-F226 AromaticContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE2-CD2 4.47Å; Y183-F226 HydrophobicContact CG-CD2 4.09Å; Y183-F226 HydrophobicContact CG-CE2 4.43Å; Y183-F226 AromaticContact CZ-CD2 3.88Å; Y183-F226 WeakPolarHBondContact OH-CB 3.48Å; Y183-F226 PolarHBondContact OH-N 3.01Å; I222-F226 WeakPolarHBondContact O-CB 3.5Å; I222-F226 PolarHBondContact O-N 3.41Å; L223-F226 PolarHBondContact O-N 3.41Å; F226-L229 WeakPolarHBondContact O-CB 3.24Å; F226-L229 PolarHBondContact O-N 2.85Å; F226-L230 HydrophobicContact CD1-CD1 4.01Å; F226-L230 HydrophobicContact CD2-CG 4.48Å; F226-L230 HydrophobicContact CE1-CD1 3.59Å; F226-L230 HydrophobicContact CE1-CG 4.35Å; F226-L230 HydrophobicContact CE2-CD1 4.3Å; F226-L230 HydrophobicContact CE2-CD2 4.32Å; F226-L230 HydrophobicContact CE2-CG 4.19Å; F226-L230 HydrophobicContact CZ-CD1 3.75Å; F226-L230 HydrophobicContact CZ-CD2 4.26Å; F226-L230 HydrophobicContact CZ-CG 4.12Å; F226-L230 WeakPolarHBondContact O-CG 3.35Å; F226-L230 PolarHBondContact O-N 3.38Å |
| 227 | Y | 92.4 | Very high | 87.8 | Confident | 148 Ų | 148 | 74.4 Ų | 74.4 | 58% | 0.58 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 175.2 | 172.6 | -100 | 0 | 0 | 0 | 112 | L223 I224 L229 L230 R231 | L223-Y227 WeakPolarHBondContact O-CB 3.38Å; L223-Y227 PolarHBondContact O-N 3.47Å; I224-Y227 PolarHBondContact O-N 3.21Å; Y227-L229 VanDerWaalsContact C-N 3.29Å; Y227-L229 PolarHBondContact O-N 3.39Å; Y227-L230 PolarHBondContact O-N 2.86Å; Y227-R231 WeakPolarHBondContact O-CB 2.98Å; Y227-R231 PolarHBondContact O-N 3.22Å |
| 228 | R | 90.3 | Very high | 85.4 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 177.2 | -71.2 | -176.5 | -169.5 | 168.4 | 8.1 | 111.4 | E117 I224 Y225 A232 | E117-R228 IonicContact OE1-CZ 2.71Å; E117-R228 IonicContact OE1-NH1 3.63Å; E117-R228 PolarHBondContact OE1-NH1 3.12Å; E117-R228 VanDerWaalsContact OE1-NH1 3.13Å; E117-R228 IonicContact OE1-NH2 3.04Å; E117-R228 PolarHBondContact OE1-NH2 3.22Å; E117-R228 IonicContact OE2-CZ 3.88Å; E117-R228 IonicContact OE2-NH1 3.29Å; E117-R228 PolarHBondContact OE2-NH1 3.16Å; E117-R228 IonicContact OE2-NH2 3.82Å; I224-R228 WeakPolarHBondContact O-CG 3.5Å; I224-R228 PolarHBondContact O-N 3.02Å; Y225-R228 PolarHBondContact O-N 3.06Å; R228-A232 VanDerWaalsContact O-CB 3.27Å; R228-A232 WeakPolarHBondContact O-CB 3.47Å; R228-A232 PolarHBondContact O-N 3.29Å |
| 229 | L | 88.4 | Confident | 83.1 | Confident | 14 Ų | 14 | 84.1 Ų | 84.1 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -51.6 | 177.8 | 180 | 73.4 | 0 | 0 | 0 | 111.5 | N179 Y183 Y225 F226 Y227 R231 A232 D233 | N179-L229 VanDerWaalsContact ND2-CD2 3.27Å; N179-L229 WeakPolarHBondContact ND2-CD2 3.26Å; Y183-L229 HydrophobicContact CD2-CD2 4.27Å; Y225-L229 WeakPolarHBondContact O-CB 3.28Å; Y225-L229 PolarHBondContact O-N 3.42Å; F226-L229 WeakPolarHBondContact O-CB 3.24Å; F226-L229 PolarHBondContact O-N 2.85Å; Y227-L229 VanDerWaalsContact C-N 3.29Å; Y227-L229 PolarHBondContact O-N 3.39Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 3.37Å; L229-A232 PolarHBondContact O-N 2.89Å; L229-D233 WeakPolarHBondContact CD1-OD2 3.46Å; L229-D233 WeakPolarHBondContact O-CB 3.32Å; L229-D233 PolarHBondContact O-N 3.17Å |
| 230 | L | 88.6 | Confident | 80.4 | Confident | 50 Ų | 50 | 85.7 Ų | 85.7 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 178.6 | -72.8 | 178.6 | 0 | 0 | 0 | 111.4 | L180 F226 Y227 D233 F234 F235 | L180-L230 HydrophobicContact CD1-CD2 4.01Å; F226-L230 HydrophobicContact CD1-CD1 4.01Å; F226-L230 HydrophobicContact CD2-CG 4.48Å; F226-L230 HydrophobicContact CE1-CD1 3.59Å; F226-L230 HydrophobicContact CE1-CG 4.35Å; F226-L230 HydrophobicContact CE2-CD1 4.3Å; F226-L230 HydrophobicContact CE2-CD2 4.32Å; F226-L230 HydrophobicContact CE2-CG 4.19Å; F226-L230 HydrophobicContact CZ-CD1 3.75Å; F226-L230 HydrophobicContact CZ-CD2 4.26Å; F226-L230 HydrophobicContact CZ-CG 4.12Å; F226-L230 WeakPolarHBondContact O-CG 3.35Å; F226-L230 PolarHBondContact O-N 3.38Å; Y227-L230 PolarHBondContact O-N 2.86Å; L230-D233 PolarHBondContact O-N 3.16Å; L230-F234 HydrophobicContact CD2-CD2 4.01Å; L230-F234 HydrophobicContact CD2-CE2 4.18Å; L230-F234 WeakPolarHBondContact O-CB 3.04Å; L230-F234 PolarHBondContact O-N 3.19Å; L230-F235 PolarHBondContact O-N 2.96Å |
| 231 | R | 87.7 | Confident | 77.5 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 176.6 | -172.6 | -177.9 | 179.1 | -148 | 2.4 | 111.8 | Y227 L229 D233 F235 | Y227-R231 WeakPolarHBondContact O-CB 2.98Å; Y227-R231 PolarHBondContact O-N 3.22Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 3.37Å; R231-D233 PolarHBondContact O-N 2.99Å; R231-F235 CarbonylContact O-C 3.05Å; R231-F235 WeakPolarHBondContact O-CA 3.29Å; R231-F235 PolarHBondContact O-N 2.93Å |
| 232 | A | 82.3 | Confident | 75 | Confident | 54 Ų | 54 | 95 Ų | 95 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R228 L229 | R228-A232 VanDerWaalsContact O-CB 3.27Å; R228-A232 WeakPolarHBondContact O-CB 3.47Å; R228-A232 PolarHBondContact O-N 3.29Å; L229-A232 PolarHBondContact O-N 2.89Å |
| 233 | D | 82.1 | Confident | 72.4 | Confident | 16 Ų | 16 | 102.7 Ų | 102.7 | 9% | 0.086 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -96.1 | -33.9 | -171.9 | -78.3 | -16.4 | 0 | 0 | 0 | 113.7 | R158 Y172 K176 L229 L230 R231 | R158-D233 IonicContact CZ-OD1 2.83Å; R158-D233 IonicContact CZ-OD2 3.47Å; R158-D233 IonicContact NE-OD1 3.13Å; R158-D233 PolarHBondContact NE-OD1 2.94Å; R158-D233 IonicContact NE-OD2 3.33Å; R158-D233 PolarHBondContact NE-OD2 3.26Å; R158-D233 VanDerWaalsContact NH2-CG 3.3Å; R158-D233 IonicContact NH2-OD1 3.97Å; R158-D233 PolarHBondContact NH2-OD1 2.92Å; R158-D233 IonicContact NH2-OD2 3.91Å; R158-D233 PolarHBondContact NH2-OD2 3.2Å; Y172-D233 PolarHBondContact OH-OD1 3.48Å; K176-D233 HydrophobicContact CD-CB 3.84Å; K176-D233 HydrophobicContact CG-CB 4.17Å; K176-D233 PolarHBondContact NZ-O 3.21Å; L229-D233 WeakPolarHBondContact CD1-OD2 3.46Å; L229-D233 WeakPolarHBondContact O-CB 3.32Å; L229-D233 PolarHBondContact O-N 3.17Å; L230-D233 PolarHBondContact O-N 3.16Å; R231-D233 PolarHBondContact O-N 2.99Å |
| 234 | F | 78.6 | Confident | 69.8 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 34% | 0.342 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -113.5 | -22.7 | -174.2 | -62.8 | -86.1 | 0 | 0 | 0 | 114 | K176 F177 L180 L230 P236 | K176-F234 VanDerWaalsContact CE-CZ 3.49Å; F177-F234 HydrophobicContact CE1-CE1 4.26Å; L180-F234 HydrophobicContact CD2-CE2 3.96Å; L180-F234 HydrophobicContact CD2-CZ 3.79Å; L230-F234 HydrophobicContact CD2-CD2 4.01Å; L230-F234 HydrophobicContact CD2-CE2 4.18Å; L230-F234 WeakPolarHBondContact O-CB 3.04Å; L230-F234 PolarHBondContact O-N 3.19Å; F234-P236 WeakPolarHBondContact O-CD 3.29Å |
| 235 | F | 79.8 | Confident | 67 | Low | 152 Ų | 152 | 109.4 Ų | 109.4 | 67% | 0.667 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -121.9 | 54 | 177.3 | -55.4 | -79.4 | 0 | 0 | 0 | 112 | L230 R231 R237 | L230-F235 PolarHBondContact O-N 2.96Å; R231-F235 CarbonylContact O-C 3.05Å; R231-F235 WeakPolarHBondContact O-CA 3.29Å; R231-F235 PolarHBondContact O-N 2.93Å; F235-R237 PolarHBondContact O-N 3.34Å; F235-R237 VanDerWaalsContact O-N 3.1Å |
| 236 | P | 70.5 | Confident | 64.3 | Low | 95 Ų | 95 | 109.4 Ų | 109.4 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 124 | 176 | 24.9 | -31.2 | 0 | 0 | 0 | 108.5 | F234 S238 | F234-P236 WeakPolarHBondContact O-CD 3.29Å; P236-S238 PolarHBondContact O-N 3.07Å |
| 237 | R | 56.1 | Low | 61.8 | Low | 218 Ų | 218 | 114.2 Ų | 114.2 | 82% | 0.823 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -53 | 116.1 | 170.2 | -110.9 | -179.7 | 176.9 | 170.1 | -2.6 | 106.4 | F235 R239 | F235-R237 PolarHBondContact O-N 3.34Å; F235-R237 VanDerWaalsContact O-N 3.1Å; R237-R239 PolarHBondContact O-N 3.22Å; R237-R239 VanDerWaalsContact O-N 3.07Å |
| 238 | S | 46.3 | Very low | 59.1 | Low | 90 Ų | 90 | 114.8 Ų | 114.8 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.9 | 177.3 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | P236 A240 H241 | P236-S238 PolarHBondContact O-N 3.07Å; S238-A240 PolarHBondContact O-N 2.95Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 2.86Å; S238-H241 PolarHBondContact O-N 3.16Å |
| 239 | R | 47 | Very low | 56.5 | Low | 217 Ų | 217 | 116 Ų | 116 | 82% | 0.819 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -58.1 | -14.1 | 174.9 | -122.3 | -178.3 | -176 | -178 | -0.4 | 112.1 | R237 H241 M242 | R237-R239 PolarHBondContact O-N 3.22Å; R237-R239 VanDerWaalsContact O-N 3.07Å; R239-H241 PolarHBondContact O-N 3.04Å; R239-H241 VanDerWaalsContact O-N 3.14Å; R239-M242 PolarHBondContact O-N 3.47Å |
| 240 | A | 40.1 | Very low | 53.8 | Low | 69 Ų | 69 | 122.2 Ų | 122.2 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -59.8 | -21 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S238 | S238-A240 PolarHBondContact O-N 2.95Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 2.86Å |
| 241 | H | 36.5 | Very low | 51.3 | Low | 152 Ų | 152 | 126.9 Ų | 126.9 | 70% | 0.704 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -94.3 | -4 | -178.7 | -135.7 | -59.3 | 0 | 0 | 0 | 114.8 | S238 R239 | S238-H241 PolarHBondContact O-N 3.16Å; R239-H241 PolarHBondContact O-N 3.04Å; R239-H241 VanDerWaalsContact O-N 3.14Å |
| 242 | M | 41 | Very low | 48.6 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -19 | 175.9 | -80.2 | -162.6 | 82.6 | 0 | 0 | 114.2 | R239 Q244 | R239-M242 PolarHBondContact O-N 3.47Å; M242-Q244 VanDerWaalsContact C-N 3.31Å |
| 243 | E | 40.5 | Very low | 46.4 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -15.8 | 176.7 | -79.8 | -179.8 | 167.2 | 0 | 0 | 113.5 | ||
| 244 | Q | 39.4 | Very low | 44 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -10.5 | 174.3 | -87.3 | -174.7 | -21.5 | 0 | 0 | 115 | M242 | M242-Q244 VanDerWaalsContact C-N 3.31Š|
| 245 | N | 36 | Very low | 41.8 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -133.9 | 25.5 | -167.5 | -105.1 | 5.6 | 0 | 0 | 0 | 115.6 | ||
| 246 | G | 34.7 | Very low | 39.5 | Very low | 53 Ų | 53 | 146.1 Ų | 146.1 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | trans | -152.1 | 38.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | H248 | G246-H248 PolarHBondContact O-N 2.98Š| ||
| 247 | T | 39 | Very low | 37.6 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -60.8 | 123.7 | 150.8 | 1.2 | 0 | 0 | 0 | 0 | 107.5 | ||
| 248 | H | 36.6 | Very low | 36.7 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 79.4 | 117.6 | 178.8 | -87 | -80.8 | 0 | 0 | 0 | 119.2 | G246 | G246-H248 PolarHBondContact O-N 2.98Š|
| 249 | N | 36.4 | Very low | 36.2 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | 68.1 | 90 | 148.1 | -56.9 | -12.9 | 0 | 0 | 0 | 116.7 | ||||
| 250 | N | 31.8 | Very low | 35.6 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 178.9 | 61.8 | 134.1 | -93.5 | -47 | 0 | 0 | 0 | 113.4 | K252 | N250-K252 PolarHBondContact O-N 3.39Š| ||
| 251 | V | 34.5 | Very low | 35.3 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -69.5 | -9.9 | 172.6 | 172.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 252 | K | 32.2 | Very low | 35.2 | Very low | 208 Ų | 208 | 154.6 Ų | 154.6 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -86.8 | -4.7 | -173.3 | -81.1 | -173.2 | 174.5 | -178.4 | 0 | 116.7 | N250 | N250-K252 PolarHBondContact O-N 3.39Š|
| 253 | K | 34.9 | Very low | 34.9 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -99.4 | -2 | -170.2 | -143.3 | 177.2 | -179.3 | -178.6 | 0 | 116 | ||
| 254 | F | 32.9 | Very low | 34.4 | Very low | 188 Ų | 188 | 153.9 Ų | 153.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 8.6 | -169.1 | -124.1 | -84.1 | 0 | 0 | 0 | 116.3 | ||
| 255 | L | 31 | Very low | 34.1 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 8.4 | 179.3 | -71.1 | 174.8 | 0 | 0 | 0 | 114.4 | ||
| 256 | A | 31.3 | Very low | 33.9 | Very low | 88 Ų | 88 | 153.2 Ų | 153.2 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 48.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 257 | E | 31.6 | Very low | 33.8 | Very low | 246 Ų | 246 | 162.3 Ų | 162.3 | 100% | 1.15 | 83% | 0.832 | S | S | * | * | trans | -147.3 | 0 | 159.3 | -69.3 | -169.4 | 170.7 | 0 | 0 | 111.3 |
Retrieved 257 of 257 residues in 955.8 ms
(Link to these results)