| 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 | 58 | Low | 90 | Very high | 221 Ų | 221 | 87.5 Ų | 87.5 | 100% | 1.089 | 48% | 0.483 | S | S | * | . | 0 | -58.5 | 0 | -66.1 | -71.6 | -101.6 | 0 | 0 | 112.4 | Q3 A5 | M1-Q3 PolarHBondContact O-N 3.05Å; M1-A5 PolarHBondContact O-N 3.05Å | |||
| 2 | A | 79.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 90.4 Ų | 90.4 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.7 | -37.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A5 K6 | A2-A5 PolarHBondContact O-N 3.12Å; A2-K6 WeakPolarHBondContact O-CG 3.48Å; A2-K6 PolarHBondContact O-N 3.49Å |
| 3 | Q | 84 | Confident | 91.3 | Very high | 82 Ų | 82 | 86.1 Ų | 86.1 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.7 | -45.9 | -176.8 | -167 | 178.7 | 37.5 | 0 | 0 | 112.7 | M1 A5 K6 V7 I52 | M1-Q3 PolarHBondContact O-N 3.05Å; Q3-A5 VanDerWaalsContact C-N 3.27Å; Q3-A5 PolarHBondContact O-N 2.96Å; Q3-K6 WeakPolarHBondContact O-CB 3.26Å; Q3-K6 PolarHBondContact O-N 2.83Å; Q3-K6 VanDerWaalsContact O-N 3.1Å; Q3-V7 WeakPolarHBondContact O-CG2 3.43Å; Q3-V7 PolarHBondContact O-N 3.02Å; Q3-I52 HydrophobicContact CG-CG2 4.16Å |
| 4 | A | 88.8 | Confident | 91.8 | Very high | 62 Ų | 62 | 80.6 Ų | 80.6 | 51% | 0.512 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V7 L8 | A4-V7 PolarHBondContact O-N 3.46Å; A4-L8 WeakPolarHBondContact O-CG 3.27Å; A4-L8 PolarHBondContact O-N 2.84Å |
| 5 | A | 95 | Very high | 92.2 | Very high | 60 Ų | 60 | 77.1 Ų | 77.1 | 50% | 0.496 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 A2 Q3 L8 Q9 | M1-A5 PolarHBondContact O-N 3.05Å; A2-A5 PolarHBondContact O-N 3.12Å; Q3-A5 VanDerWaalsContact C-N 3.27Å; Q3-A5 PolarHBondContact O-N 2.96Å; A5-L8 PolarHBondContact O-N 3.32Å; A5-Q9 WeakPolarHBondContact O-CB 3.15Å; A5-Q9 PolarHBondContact O-N 2.65Å |
| 6 | K | 96.1 | Very high | 92.6 | Very high | 125 Ų | 125 | 79.8 Ų | 79.8 | 54% | 0.543 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176 | -71.2 | -179.6 | 179.7 | -173.3 | 0 | 112.4 | A2 Q3 L8 Q9 L10 M56 | A2-K6 WeakPolarHBondContact O-CG 3.48Å; A2-K6 PolarHBondContact O-N 3.49Å; Q3-K6 WeakPolarHBondContact O-CB 3.26Å; Q3-K6 PolarHBondContact O-N 2.83Å; Q3-K6 VanDerWaalsContact O-N 3.1Å; K6-L8 PolarHBondContact O-N 3.25Å; K6-Q9 WeakPolarHBondContact O-CB 3.47Å; K6-Q9 PolarHBondContact O-N 2.98Å; K6-L10 PolarHBondContact O-N 3.16Å; K6-M56 HydrophobicContact CB-SD 4.02Å |
| 7 | V | 96.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 75.3 Ų | 75.3 | 24% | 0.242 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | Q3 A4 Q9 L10 F11 F40 I52 M56 | Q3-V7 WeakPolarHBondContact O-CG2 3.43Å; Q3-V7 PolarHBondContact O-N 3.02Å; A4-V7 PolarHBondContact O-N 3.46Å; V7-Q9 VanDerWaalsContact C-N 3.32Å; V7-Q9 PolarHBondContact O-N 3.37Å; V7-L10 PolarHBondContact O-N 3.39Å; V7-F11 PolarHBondContact O-N 2.99Å; V7-F40 HydrophobicContact CG1-CD1 4.25Å; V7-F40 HydrophobicContact CG1-CE1 3.9Å; V7-I52 HydrophobicContact CG2-CG2 4.16Å; V7-M56 HydrophobicContact CG2-CG 4.01Å; V7-M56 HydrophobicContact CG2-SD 3.65Å |
| 8 | L | 96.6 | Very high | 93.2 | Very high | 102 Ų | 102 | 72.3 Ų | 72.3 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.5 | -33.9 | 177.6 | -70.3 | 176.2 | 0 | 0 | 0 | 112.7 | A4 A5 K6 K12 | A4-L8 WeakPolarHBondContact O-CG 3.27Å; A4-L8 PolarHBondContact O-N 2.84Å; A5-L8 PolarHBondContact O-N 3.32Å; K6-L8 PolarHBondContact O-N 3.25Å; L8-K12 WeakPolarHBondContact O-CG 3.48Å; L8-K12 PolarHBondContact O-N 3.44Å |
| 9 | Q | 97.9 | Very high | 93.4 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 173.9 | -177.7 | 179.6 | -6.1 | 0 | 0 | 110.7 | A5 K6 V7 K12 T13 | A5-Q9 WeakPolarHBondContact O-CB 3.15Å; A5-Q9 PolarHBondContact O-N 2.65Å; K6-Q9 WeakPolarHBondContact O-CB 3.47Å; K6-Q9 PolarHBondContact O-N 2.98Å; V7-Q9 VanDerWaalsContact C-N 3.32Å; V7-Q9 PolarHBondContact O-N 3.37Å; Q9-K12 PolarHBondContact O-N 3.42Å; Q9-T13 PolarHBondContact O-N 2.86Å; Q9-T13 PolarHBondContact O-OG1 3.19Å |
| 10 | L | 98.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 76.6 Ų | 76.6 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 177 | 179 | 58.6 | 0 | 0 | 0 | 111.8 | K6 V7 K12 T13 L14 F40 M56 | K6-L10 PolarHBondContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.39Å; L10-K12 VanDerWaalsContact C-N 3.33Å; L10-K12 PolarHBondContact O-N 2.9Å; L10-T13 PolarHBondContact O-N 3.43Å; L10-T13 VanDerWaalsContact O-N 3.11Å; L10-L14 HydrophobicContact CD1-CD1 4.29Å; L10-L14 HydrophobicContact CD1-CG 4.31Å; L10-L14 HydrophobicContact CG-CD1 4.21Å; L10-L14 PolarHBondContact O-N 3.5Å; L10-F40 HydrophobicContact CG-CZ 4.41Å; L10-M56 HydrophobicContact CD2-CB 4.26Å; L10-M56 HydrophobicContact CD2-CG 4.45Å; L10-M56 WeakPolarHBondContact CD2-O 3.31Å |
| 11 | F | 98.3 | Very high | 93.7 | Very high | 55 Ų | 55 | 73 Ų | 73 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -53.6 | -48.6 | 174.6 | -179.8 | -104 | 0 | 0 | 0 | 112.2 | V7 H15 I36 N37 F40 | V7-F11 PolarHBondContact O-N 2.99Å; F11-H15 AromaticContact CE1-CD2 3.6Å; F11-H15 AromaticContact CE1-NE2 3.85Å; F11-H15 AromaticContact CE2-CD2 3.92Å; F11-H15 AromaticContact CE2-NE2 3.61Å; F11-H15 AromaticContact CZ-CD2 3.5Å; F11-H15 AromaticContact CZ-NE2 3.25Å; F11-H15 VanDerWaalsContact CZ-NE2 3.25Å; F11-H15 WeakPolarHBondContact CZ-NE2 3.38Å; F11-H15 PolarHBondContact O-N 3.36Å; F11-H15 VanDerWaalsContact O-N 3.17Å; F11-I36 HydrophobicContact CD2-CG2 3.94Å; F11-I36 HydrophobicContact CE2-CG2 3.81Å; F11-N37 WeakPolarHBondContact CE2-OD1 3.27Å; F11-N37 VanDerWaalsContact CZ-OD1 3.3Å; F11-N37 WeakPolarHBondContact CZ-OD1 3.32Å; F11-F40 HydrophobicContact CB-CD1 4.11Å; F11-F40 HydrophobicContact CB-CE1 3.61Å; F11-F40 HydrophobicContact CB-CE2 4.48Å; F11-F40 HydrophobicContact CB-CZ 3.81Å; F11-F40 HydrophobicContact CD2-CB 4.2Å; F11-F40 AromaticContact CD2-CD1 3.76Å; F11-F40 HydrophobicContact CD2-CD1 3.76Å; F11-F40 AromaticContact CD2-CD2 3.72Å; F11-F40 HydrophobicContact CD2-CD2 3.72Å; F11-F40 AromaticContact CD2-CE1 3.99Å; F11-F40 HydrophobicContact CD2-CE1 3.99Å; F11-F40 AromaticContact CD2-CE2 3.93Å; F11-F40 HydrophobicContact CD2-CE2 3.93Å; F11-F40 AromaticContact CD2-CG 3.61Å; F11-F40 HydrophobicContact CD2-CG 3.61Å; F11-F40 HydrophobicContact CD2-CZ 4.05Å; F11-F40 HydrophobicContact CE2-CB 4.34Å; F11-F40 HydrophobicContact CE2-CD2 4.33Å; F11-F40 HydrophobicContact CE2-CG 4.2Å; F11-F40 HydrophobicContact CG-CD1 4.31Å; F11-F40 HydrophobicContact CG-CE1 4.26Å; F11-F40 HydrophobicContact CG-CZ 4.46Å |
| 12 | K | 98.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 64.1 Ų | 64.1 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 177.1 | -71.4 | 175.5 | -178 | -179.3 | 0 | 112.1 | L8 Q9 L10 H15 R16 | L8-K12 WeakPolarHBondContact O-CG 3.48Å; L8-K12 PolarHBondContact O-N 3.44Å; Q9-K12 PolarHBondContact O-N 3.42Å; L10-K12 VanDerWaalsContact C-N 3.33Å; L10-K12 PolarHBondContact O-N 2.9Å; K12-H15 PolarHBondContact O-N 3.18Å; K12-R16 WeakPolarHBondContact O-CG 3.46Å; K12-R16 PolarHBondContact O-N 3.49Å |
| 13 | T | 98.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 67 Ų | 67 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | Q9 L10 H15 R16 T17 E63 | Q9-T13 PolarHBondContact O-N 2.86Å; Q9-T13 PolarHBondContact O-OG1 3.19Å; L10-T13 PolarHBondContact O-N 3.43Å; L10-T13 VanDerWaalsContact O-N 3.11Å; T13-H15 PolarHBondContact O-N 3.05Å; T13-R16 WeakPolarHBondContact O-CA 3.46Å; T13-R16 WeakPolarHBondContact O-CB 3.48Å; T13-R16 PolarHBondContact O-N 2.72Å; T13-R16 PolarHBondContact OG1-NH2 3.11Å; T13-T17 PolarHBondContact O-N 3.5Å; T13-T17 PolarHBondContact O-OG1 2.86Å; T13-E63 HydrophobicContact CG2-CG 3.63Å |
| 14 | L | 98.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.1 | -41 | 175.3 | -77.8 | 166.5 | 0 | 0 | 0 | 112.4 | L10 T17 R18 I36 F40 V62 E63 | L10-L14 HydrophobicContact CD1-CD1 4.29Å; L10-L14 HydrophobicContact CD1-CG 4.31Å; L10-L14 HydrophobicContact CG-CD1 4.21Å; L10-L14 PolarHBondContact O-N 3.5Å; L14-T17 PolarHBondContact O-N 3.03Å; L14-R18 WeakPolarHBondContact O-CG 3.45Å; L14-R18 PolarHBondContact O-N 3.47Å; L14-I36 HydrophobicContact CB-CD1 4.02Å; L14-I36 HydrophobicContact CB-CG1 4.41Å; L14-I36 HydrophobicContact CB-CG2 4.46Å; L14-F40 HydrophobicContact CD1-CE2 3.87Å; L14-F40 HydrophobicContact CD1-CZ 4.18Å; L14-V62 HydrophobicContact CD2-CG1 4.16Å; L14-E63 HydrophobicContact CD2-CB 3.79Å; L14-E63 HydrophobicContact CD2-CG 4.36Å; L14-E63 HydrophobicContact CG-CB 4.41Å |
| 15 | H | 98.6 | Very high | 97.2 | Very high | 29 Ų | 29 | 70 Ų | 70 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 175.9 | -87.6 | -44.8 | 0 | 0 | 0 | 114.6 | F11 K12 T13 R18 Q19 N37 | F11-H15 AromaticContact CE1-CD2 3.6Å; F11-H15 AromaticContact CE1-NE2 3.85Å; F11-H15 AromaticContact CE2-CD2 3.92Å; F11-H15 AromaticContact CE2-NE2 3.61Å; F11-H15 AromaticContact CZ-CD2 3.5Å; F11-H15 AromaticContact CZ-NE2 3.25Å; F11-H15 VanDerWaalsContact CZ-NE2 3.25Å; F11-H15 WeakPolarHBondContact CZ-NE2 3.38Å; F11-H15 PolarHBondContact O-N 3.36Å; F11-H15 VanDerWaalsContact O-N 3.17Å; K12-H15 PolarHBondContact O-N 3.18Å; T13-H15 PolarHBondContact O-N 3.05Å; H15-R18 PolarHBondContact ND1-NE 3.41Å; H15-R18 VanDerWaalsContact O-CG 3.25Å; H15-R18 WeakPolarHBondContact O-CG 3.35Å; H15-Q19 WeakPolarHBondContact O-CG 3.33Å; H15-N37 PolarHBondContact NE2-OD1 3.11Å |
| 16 | R | 98.4 | Very high | 97.3 | Very high | 119 Ų | 119 | 72.6 Ų | 72.6 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 171.4 | -72.5 | -178.3 | -68.1 | -106 | -1.8 | 110.9 | K12 T13 R18 Q19 Q20 | K12-R16 WeakPolarHBondContact O-CG 3.46Å; K12-R16 PolarHBondContact O-N 3.49Å; T13-R16 WeakPolarHBondContact O-CA 3.46Å; T13-R16 WeakPolarHBondContact O-CB 3.48Å; T13-R16 PolarHBondContact O-N 2.72Å; T13-R16 PolarHBondContact OG1-NH2 3.11Å; R16-R18 PolarHBondContact O-N 3.01Å; R16-Q19 WeakPolarHBondContact O-CB 3.4Å; R16-Q19 PolarHBondContact O-N 3.43Å; R16-Q19 VanDerWaalsContact O-N 3.13Å; R16-Q20 PolarHBondContact O-N 2.98Å; R16-Q20 VanDerWaalsContact O-N 3.11Å |
| 17 | T | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60 | -47 | 179.8 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | T13 L14 Q19 Q20 V21 E63 L66 R67 | T13-T17 PolarHBondContact O-N 3.5Å; T13-T17 PolarHBondContact O-OG1 2.86Å; L14-T17 PolarHBondContact O-N 3.03Å; T17-Q19 VanDerWaalsContact C-N 3.29Å; T17-Q19 PolarHBondContact O-N 2.94Å; T17-Q20 PolarHBondContact O-N 3.47Å; T17-Q20 VanDerWaalsContact O-N 3.15Å; T17-V21 HydrophobicContact CG2-CG2 3.89Å; T17-V21 WeakPolarHBondContact O-CB 3.37Å; T17-V21 WeakPolarHBondContact O-CG2 3.23Å; T17-V21 PolarHBondContact O-N 3.1Å; T17-E63 HydrophobicContact CG2-CG 4.42Å; T17-E63 PolarHBondContact OG1-OE1 3.24Å; T17-L66 HydrophobicContact CG2-CB 3.84Å; T17-R67 HydrophobicContact CG2-CB 4.21Å |
| 18 | R | 97.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 76.2 Ų | 76.2 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 176 | 67.2 | 129.5 | -166.1 | 155.4 | 1 | 113.6 | L14 H15 R16 Q20 F22 L29 A32 I36 | L14-R18 WeakPolarHBondContact O-CG 3.45Å; L14-R18 PolarHBondContact O-N 3.47Å; H15-R18 PolarHBondContact ND1-NE 3.41Å; H15-R18 VanDerWaalsContact O-CG 3.25Å; H15-R18 WeakPolarHBondContact O-CG 3.35Å; R16-R18 PolarHBondContact O-N 3.01Å; R18-Q20 VanDerWaalsContact C-N 3.33Å; R18-F22 HydrophobicContact CB-CD2 4Å; R18-F22 HydrophobicContact CB-CE2 4.3Å; R18-F22 WeakPolarHBondContact O-CB 3.37Å; R18-F22 WeakPolarHBondContact O-CD2 3.45Å; R18-F22 PolarHBondContact O-N 3.36Å; R18-L29 PolarHBondContact NH1-O 3.37Å; R18-L29 WeakPolarHBondContact O-CD2 3.37Å; R18-A32 HydrophobicContact CB-CB 3.95Å; R18-A32 HydrophobicContact CG-CB 4.47Å; R18-I36 HydrophobicContact CB-CD1 4.43Å; R18-I36 HydrophobicContact CG-CD1 4.09Å |
| 19 | Q | 97.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 73 Ų | 73 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 178.4 | -74.8 | 176.1 | -3.9 | 0 | 0 | 112 | H15 R16 T17 | H15-Q19 WeakPolarHBondContact O-CG 3.33Å; R16-Q19 WeakPolarHBondContact O-CB 3.4Å; R16-Q19 PolarHBondContact O-N 3.43Å; R16-Q19 VanDerWaalsContact O-N 3.13Å; T17-Q19 VanDerWaalsContact C-N 3.29Å; T17-Q19 PolarHBondContact O-N 2.94Å |
| 20 | Q | 96 | Very high | 97.5 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.5 | -42.9 | 176.8 | -66.6 | 177.1 | -2.3 | 0 | 0 | 111.6 | R16 T17 R18 | R16-Q20 PolarHBondContact O-N 2.98Å; R16-Q20 VanDerWaalsContact O-N 3.11Å; T17-Q20 PolarHBondContact O-N 3.47Å; T17-Q20 VanDerWaalsContact O-N 3.15Å; R18-Q20 VanDerWaalsContact C-N 3.33Å |
| 21 | V | 96.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.9 | -44.9 | -174.5 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | T17 L66 V70 Q72 | T17-V21 HydrophobicContact CG2-CG2 3.89Å; T17-V21 WeakPolarHBondContact O-CB 3.37Å; T17-V21 WeakPolarHBondContact O-CG2 3.23Å; T17-V21 PolarHBondContact O-N 3.1Å; V21-L66 HydrophobicContact CG2-CB 4.25Å; V21-L66 VanDerWaalsContact CG2-O 3.29Å; V21-L66 WeakPolarHBondContact CG2-O 3.27Å; V21-V70 HydrophobicContact CG1-CB 3.81Å; V21-V70 HydrophobicContact CG1-CG1 3.56Å; V21-Q72 VanDerWaalsContact O-CG 3.27Å; V21-Q72 WeakPolarHBondContact O-CG 3.5Å; V21-Q72 PolarHBondContact O-NE2 3.38Å; V21-Q72 VanDerWaalsContact O-NE2 3.11Å |
| 22 | F | 96.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 31.4 | -177.4 | -54.1 | -60.5 | 0 | 0 | 0 | 112.4 | R18 N24 D25 A28 L29 A32 L66 V70 | R18-F22 HydrophobicContact CB-CD2 4Å; R18-F22 HydrophobicContact CB-CE2 4.3Å; R18-F22 WeakPolarHBondContact O-CB 3.37Å; R18-F22 WeakPolarHBondContact O-CD2 3.45Å; R18-F22 PolarHBondContact O-N 3.36Å; F22-N24 PolarHBondContact O-N 3.13Å; F22-D25 HydrophobicContact CB-CB 4.46Å; F22-D25 PolarHBondContact O-N 3.46Å; F22-A28 HydrophobicContact CB-CB 3.95Å; F22-A28 HydrophobicContact CD1-CB 3.68Å; F22-A28 HydrophobicContact CD2-CB 4.45Å; F22-A28 HydrophobicContact CE1-CB 4.3Å; F22-A28 HydrophobicContact CG-CB 3.78Å; F22-L29 HydrophobicContact CB-CD2 3.95Å; F22-L29 HydrophobicContact CB-CG 3.97Å; F22-L29 WeakPolarHBondContact O-CD1 3.47Å; F22-L29 VanDerWaalsContact O-CG 3.26Å; F22-L29 WeakPolarHBondContact O-CG 3.25Å; F22-A32 HydrophobicContact CD2-CB 4.13Å; F22-A32 HydrophobicContact CE2-CB 3.96Å; F22-L66 HydrophobicContact CE2-CD2 4.31Å; F22-L66 HydrophobicContact CZ-CD2 4Å; F22-V70 HydrophobicContact CE1-CG1 4.04Å |
| 23 | K | 95.5 | Very high | 97.5 | Very high | 133 Ų | 133 | 71.1 Ų | 71.1 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 126.8 | -176.4 | -174.5 | 179.6 | -179.8 | -178.9 | 0 | 110.3 | D25 Q72 | K23-D25 PolarHBondContact O-N 3.11Å; K23-Q72 PolarHBondContact O-NE2 2.9Å; K23-Q72 VanDerWaalsContact O-NE2 3.16Å; K23-Q72 PolarHBondContact O-OE1 2.8Å |
| 24 | N | 95.8 | Very high | 97.5 | Very high | 142 Ų | 142 | 74 Ų | 74 | 76% | 0.759 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 1.1 | -177.2 | -52.5 | -28.6 | 0 | 0 | 0 | 116 | F22 V26 | F22-N24 PolarHBondContact O-N 3.13Å; N24-V26 PolarHBondContact O-N 3.17Å |
| 25 | D | 96.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 78.6 Ų | 78.6 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | trans | -94.8 | 88.8 | 169.5 | -174.9 | -19 | 0 | 0 | 0 | 109.5 | F22 K23 R27 A28 L29 | F22-D25 HydrophobicContact CB-CB 4.46Å; F22-D25 PolarHBondContact O-N 3.46Å; K23-D25 PolarHBondContact O-N 3.11Å; D25-R27 PolarHBondContact O-N 2.97Å; D25-R27 PolarHBondContact OD1-N 3.27Å; D25-A28 HydrophobicContact CB-CB 4.02Å; D25-A28 PolarHBondContact O-N 3.03Å; D25-A28 PolarHBondContact OD1-N 2.93Å; D25-A28 VanDerWaalsContact OD2-CB 3.31Å; D25-A28 WeakPolarHBondContact OD2-CB 3.47Å; D25-L29 VanDerWaalsContact O-CB 3.27Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 WeakPolarHBondContact O-CD1 3.25Å; D25-L29 WeakPolarHBondContact O-CG 3.3Å; D25-L29 PolarHBondContact O-N 3.32Å | ||
| 26 | V | 97.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 78.1 Ų | 78.1 | 70% | 0.703 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.6 | -37.4 | -177.1 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | N24 E30 | N24-V26 PolarHBondContact O-N 3.17Å; V26-E30 WeakPolarHBondContact O-CB 3.46Å; V26-E30 PolarHBondContact O-N 3.21Å |
| 27 | R | 97.1 | Very high | 97.5 | Very high | 218 Ų | 218 | 75.4 Ų | 75.4 | 82% | 0.823 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.5 | -49.1 | -178.5 | -177.5 | -178.6 | 172.9 | -164.3 | -2.6 | 110.7 | D25 E30 A31 | D25-R27 PolarHBondContact O-N 2.97Å; D25-R27 PolarHBondContact OD1-N 3.27Å; R27-E30 PolarHBondContact O-N 2.84Å; R27-A31 WeakPolarHBondContact O-CB 3.37Å; R27-A31 PolarHBondContact O-N 2.96Å |
| 28 | A | 97 | Very high | 97.5 | Very high | 22 Ų | 22 | 79.4 Ų | 79.4 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F22 D25 E30 A31 A32 | F22-A28 HydrophobicContact CB-CB 3.95Å; F22-A28 HydrophobicContact CD1-CB 3.68Å; F22-A28 HydrophobicContact CD2-CB 4.45Å; F22-A28 HydrophobicContact CE1-CB 4.3Å; F22-A28 HydrophobicContact CG-CB 3.78Å; D25-A28 HydrophobicContact CB-CB 4.02Å; D25-A28 PolarHBondContact O-N 3.03Å; D25-A28 PolarHBondContact OD1-N 2.93Å; D25-A28 VanDerWaalsContact OD2-CB 3.31Å; D25-A28 WeakPolarHBondContact OD2-CB 3.47Å; A28-E30 VanDerWaalsContact C-N 3.34Å; A28-E30 PolarHBondContact O-N 3.15Å; A28-A31 PolarHBondContact O-N 3.22Å; A28-A32 VanDerWaalsContact O-CB 3.23Å; A28-A32 WeakPolarHBondContact O-CB 3.2Å; A28-A32 PolarHBondContact O-N 2.84Å |
| 29 | L | 98.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 82 Ų | 82 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 174.7 | -77 | 168 | 0 | 0 | 0 | 111.5 | R18 F22 D25 R33 | R18-L29 PolarHBondContact NH1-O 3.37Å; R18-L29 WeakPolarHBondContact O-CD2 3.37Å; F22-L29 HydrophobicContact CB-CD2 3.95Å; F22-L29 HydrophobicContact CB-CG 3.97Å; F22-L29 WeakPolarHBondContact O-CD1 3.47Å; F22-L29 VanDerWaalsContact O-CG 3.26Å; F22-L29 WeakPolarHBondContact O-CG 3.25Å; D25-L29 VanDerWaalsContact O-CB 3.27Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 WeakPolarHBondContact O-CD1 3.25Å; D25-L29 WeakPolarHBondContact O-CG 3.3Å; D25-L29 PolarHBondContact O-N 3.32Å; L29-R33 WeakPolarHBondContact O-CB 3.29Å; L29-R33 PolarHBondContact O-N 2.82Å |
| 30 | E | 98.5 | Very high | 97.5 | Very high | 87 Ų | 87 | 79.9 Ų | 79.9 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.5 | -43.3 | -178.2 | -168.3 | 55.2 | -153.6 | 0 | 0 | 112 | V26 R27 A28 A32 R33 I34 | V26-E30 WeakPolarHBondContact O-CB 3.46Å; V26-E30 PolarHBondContact O-N 3.21Å; R27-E30 PolarHBondContact O-N 2.84Å; A28-E30 VanDerWaalsContact C-N 3.34Å; A28-E30 PolarHBondContact O-N 3.15Å; E30-A32 VanDerWaalsContact C-N 3.32Å; E30-A32 PolarHBondContact O-N 3.14Å; E30-R33 WeakPolarHBondContact O-CB 3.35Å; E30-R33 PolarHBondContact O-N 3.41Å; E30-R33 VanDerWaalsContact O-N 3.1Å; E30-I34 HydrophobicContact CG-CD1 4.11Å; E30-I34 WeakPolarHBondContact O-CG1 3.2Å; E30-I34 PolarHBondContact O-N 3.04Å |
| 31 | A | 98.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 81.8 Ų | 81.8 | 49% | 0.488 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R27 A28 R33 I34 K35 | R27-A31 WeakPolarHBondContact O-CB 3.37Å; R27-A31 PolarHBondContact O-N 2.96Å; A28-A31 PolarHBondContact O-N 3.22Å; A31-R33 VanDerWaalsContact C-N 3.35Å; A31-R33 PolarHBondContact O-N 3.48Å; A31-I34 PolarHBondContact O-N 3.49Å; A31-K35 WeakPolarHBondContact O-CB 3.48Å; A31-K35 PolarHBondContact O-N 2.99Å |
| 32 | A | 98.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 86.6 Ų | 86.6 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R18 F22 A28 E30 K35 I36 | R18-A32 HydrophobicContact CB-CB 3.95Å; R18-A32 HydrophobicContact CG-CB 4.47Å; F22-A32 HydrophobicContact CD2-CB 4.13Å; F22-A32 HydrophobicContact CE2-CB 3.96Å; A28-A32 VanDerWaalsContact O-CB 3.23Å; A28-A32 WeakPolarHBondContact O-CB 3.2Å; A28-A32 PolarHBondContact O-N 2.84Å; E30-A32 VanDerWaalsContact C-N 3.32Å; E30-A32 PolarHBondContact O-N 3.14Å; A32-K35 PolarHBondContact O-N 2.86Å; A32-I36 WeakPolarHBondContact O-CB 3.43Å; A32-I36 WeakPolarHBondContact O-CD1 3.45Å; A32-I36 WeakPolarHBondContact O-CG1 3.2Å; A32-I36 PolarHBondContact O-N 2.81Å |
| 33 | R | 98.5 | Very high | 97.7 | Very high | 118 Ų | 118 | 87.3 Ų | 87.3 | 45% | 0.445 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 176.3 | -176.4 | -175 | -176.4 | 152.8 | 1.5 | 111.4 | L29 E30 A31 K35 I36 N37 | L29-R33 WeakPolarHBondContact O-CB 3.29Å; L29-R33 PolarHBondContact O-N 2.82Å; E30-R33 WeakPolarHBondContact O-CB 3.35Å; E30-R33 PolarHBondContact O-N 3.41Å; E30-R33 VanDerWaalsContact O-N 3.1Å; A31-R33 VanDerWaalsContact C-N 3.35Å; A31-R33 PolarHBondContact O-N 3.48Å; R33-K35 VanDerWaalsContact C-N 3.33Å; R33-I36 PolarHBondContact O-N 3.39Å; R33-N37 WeakPolarHBondContact O-CB 3.4Å; R33-N37 PolarHBondContact O-N 2.95Å; R33-N37 PolarHBondContact O-ND2 2.86Å |
| 34 | I | 98.6 | Very high | 97.6 | Very high | 95 Ų | 95 | 89.3 Ų | 89.3 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59 | -49.4 | -179.1 | -68.9 | 168.2 | 0 | 0 | 0 | 109.1 | E30 A31 I36 N37 E38 | E30-I34 HydrophobicContact CG-CD1 4.11Å; E30-I34 WeakPolarHBondContact O-CG1 3.2Å; E30-I34 PolarHBondContact O-N 3.04Å; A31-I34 PolarHBondContact O-N 3.49Å; I34-I36 PolarHBondContact O-N 3.38Å; I34-N37 PolarHBondContact O-N 3.46Å; I34-E38 WeakPolarHBondContact O-CB 2.93Å; I34-E38 PolarHBondContact O-N 3.24Å |
| 35 | K | 98.4 | Very high | 97.6 | Very high | 104 Ų | 104 | 87.9 Ų | 87.9 | 45% | 0.452 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | -177.8 | -170.6 | 52.2 | 166.5 | 170.6 | 0 | 113.1 | A31 A32 R33 N37 E38 E39 | A31-K35 WeakPolarHBondContact O-CB 3.48Å; A31-K35 PolarHBondContact O-N 2.99Å; A32-K35 PolarHBondContact O-N 2.86Å; R33-K35 VanDerWaalsContact C-N 3.33Å; K35-N37 VanDerWaalsContact C-N 3.35Å; K35-N37 PolarHBondContact O-N 2.84Å; K35-E38 IonicContact NZ-OE2 3.59Å; K35-E38 PolarHBondContact O-N 3.39Å; K35-E39 HydrophobicContact CD-CG 4.26Å; K35-E39 VanDerWaalsContact CE-OE1 3.27Å; K35-E39 WeakPolarHBondContact CE-OE1 3.29Å; K35-E39 IonicContact NZ-OE1 2.67Å; K35-E39 PolarHBondContact NZ-OE1 3.31Å; K35-E39 WeakPolarHBondContact O-CG 3.41Å; K35-E39 PolarHBondContact O-N 3.03Å |
| 36 | I | 98.3 | Very high | 97.6 | Very high | 20 Ų | 20 | 88.2 Ų | 88.2 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.6 | -68.7 | 162.7 | 0 | 0 | 0 | 110.3 | F11 L14 R18 A32 R33 I34 E38 F40 | F11-I36 HydrophobicContact CD2-CG2 3.94Å; F11-I36 HydrophobicContact CE2-CG2 3.81Å; L14-I36 HydrophobicContact CB-CD1 4.02Å; L14-I36 HydrophobicContact CB-CG1 4.41Å; L14-I36 HydrophobicContact CB-CG2 4.46Å; R18-I36 HydrophobicContact CB-CD1 4.43Å; R18-I36 HydrophobicContact CG-CD1 4.09Å; A32-I36 WeakPolarHBondContact O-CB 3.43Å; A32-I36 WeakPolarHBondContact O-CD1 3.45Å; A32-I36 WeakPolarHBondContact O-CG1 3.2Å; A32-I36 PolarHBondContact O-N 2.81Å; R33-I36 PolarHBondContact O-N 3.39Å; I34-I36 PolarHBondContact O-N 3.38Å; I36-E38 PolarHBondContact O-N 3.05Å; I36-F40 HydrophobicContact CG2-CD2 4.23Å; I36-F40 HydrophobicContact CG2-CE2 4.28Å; I36-F40 VanDerWaalsContact O-CD2 3.24Å; I36-F40 WeakPolarHBondContact O-CD2 3.24Å; I36-F40 PolarHBondContact O-N 3.08Å |
| 37 | N | 98.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 88.5 Ų | 88.5 | 33% | 0.326 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | -179.5 | -73.9 | -23.9 | 0 | 0 | 0 | 112.7 | F11 H15 R33 I34 K35 K41 | F11-N37 WeakPolarHBondContact CE2-OD1 3.27Å; F11-N37 VanDerWaalsContact CZ-OD1 3.3Å; F11-N37 WeakPolarHBondContact CZ-OD1 3.32Å; H15-N37 PolarHBondContact NE2-OD1 3.11Å; R33-N37 WeakPolarHBondContact O-CB 3.4Å; R33-N37 PolarHBondContact O-N 2.95Å; R33-N37 PolarHBondContact O-ND2 2.86Å; I34-N37 PolarHBondContact O-N 3.46Å; K35-N37 VanDerWaalsContact C-N 3.35Å; K35-N37 PolarHBondContact O-N 2.84Å; N37-K41 WeakPolarHBondContact O-CB 3.46Å; N37-K41 PolarHBondContact O-N 2.67Å |
| 38 | E | 98.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 80.4 Ų | 80.4 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 177.6 | -176.8 | -177.2 | -157.3 | 0 | 0 | 111.1 | I34 K35 I36 F40 K41 N42 | I34-E38 WeakPolarHBondContact O-CB 2.93Å; I34-E38 PolarHBondContact O-N 3.24Å; K35-E38 IonicContact NZ-OE2 3.59Å; K35-E38 PolarHBondContact O-N 3.39Å; I36-E38 PolarHBondContact O-N 3.05Å; E38-F40 PolarHBondContact O-N 3.27Å; E38-K41 PolarHBondContact O-N 3.37Å; E38-K41 VanDerWaalsContact O-N 3.14Å; E38-N42 WeakPolarHBondContact O-CB 3.48Å; E38-N42 PolarHBondContact O-N 2.94Å; E38-N42 PolarHBondContact O-ND2 2.98Å; E38-N42 PolarHBondContact O-OD1 2.89Å |
| 39 | E | 97.8 | Very high | 97.3 | Very high | 78 Ų | 78 | 83.5 Ų | 83.5 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | -178.8 | -70.6 | -56.1 | 146 | 0 | 0 | 112.6 | K35 K41 N43 | K35-E39 HydrophobicContact CD-CG 4.26Å; K35-E39 VanDerWaalsContact CE-OE1 3.27Å; K35-E39 WeakPolarHBondContact CE-OE1 3.29Å; K35-E39 IonicContact NZ-OE1 2.67Å; K35-E39 PolarHBondContact NZ-OE1 3.31Å; K35-E39 WeakPolarHBondContact O-CG 3.41Å; K35-E39 PolarHBondContact O-N 3.03Å; E39-K41 VanDerWaalsContact C-N 3.35Å; E39-N43 PolarHBondContact O-N 3.32Å; E39-N43 PolarHBondContact O-ND2 2.8Å |
| 40 | F | 97.7 | Very high | 97.2 | Very high | 61 Ų | 61 | 88.8 Ų | 88.8 | 27% | 0.268 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70 | -33 | 177.1 | -82 | -103.2 | 0 | 0 | 0 | 112.3 | V7 L10 F11 L14 I36 E38 K44 | V7-F40 HydrophobicContact CG1-CD1 4.25Å; V7-F40 HydrophobicContact CG1-CE1 3.9Å; L10-F40 HydrophobicContact CG-CZ 4.41Å; F11-F40 HydrophobicContact CB-CD1 4.11Å; F11-F40 HydrophobicContact CB-CE1 3.61Å; F11-F40 HydrophobicContact CB-CE2 4.48Å; F11-F40 HydrophobicContact CB-CZ 3.81Å; F11-F40 HydrophobicContact CD2-CB 4.2Å; F11-F40 AromaticContact CD2-CD1 3.76Å; F11-F40 HydrophobicContact CD2-CD1 3.76Å; F11-F40 AromaticContact CD2-CD2 3.72Å; F11-F40 HydrophobicContact CD2-CD2 3.72Å; F11-F40 AromaticContact CD2-CE1 3.99Å; F11-F40 HydrophobicContact CD2-CE1 3.99Å; F11-F40 AromaticContact CD2-CE2 3.93Å; F11-F40 HydrophobicContact CD2-CE2 3.93Å; F11-F40 AromaticContact CD2-CG 3.61Å; F11-F40 HydrophobicContact CD2-CG 3.61Å; F11-F40 HydrophobicContact CD2-CZ 4.05Å; F11-F40 HydrophobicContact CE2-CB 4.34Å; F11-F40 HydrophobicContact CE2-CD2 4.33Å; F11-F40 HydrophobicContact CE2-CG 4.2Å; F11-F40 HydrophobicContact CG-CD1 4.31Å; F11-F40 HydrophobicContact CG-CE1 4.26Å; F11-F40 HydrophobicContact CG-CZ 4.46Å; L14-F40 HydrophobicContact CD1-CE2 3.87Å; L14-F40 HydrophobicContact CD1-CZ 4.18Å; I36-F40 HydrophobicContact CG2-CD2 4.23Å; I36-F40 HydrophobicContact CG2-CE2 4.28Å; I36-F40 VanDerWaalsContact O-CD2 3.24Å; I36-F40 WeakPolarHBondContact O-CD2 3.24Å; I36-F40 PolarHBondContact O-N 3.08Å; E38-F40 PolarHBondContact O-N 3.27Å; F40-K44 PolarHBondContact O-N 3.2Å |
| 41 | K | 98 | Very high | 97.1 | Very high | 162 Ų | 162 | 88.4 Ų | 88.4 | 70% | 0.704 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.1 | -42.6 | 176.3 | -173.2 | 178.7 | 178 | -174.2 | 0 | 111.5 | N37 E38 E39 N43 K44 | N37-K41 WeakPolarHBondContact O-CB 3.46Å; N37-K41 PolarHBondContact O-N 2.67Å; E38-K41 PolarHBondContact O-N 3.37Å; E38-K41 VanDerWaalsContact O-N 3.14Å; E39-K41 VanDerWaalsContact C-N 3.35Å; K41-N43 PolarHBondContact O-N 3.25Å; K41-K44 VanDerWaalsContact O-CB 3.29Å; K41-K44 WeakPolarHBondContact O-CB 3.29Å; K41-K44 PolarHBondContact O-N 3.2Å |
| 42 | N | 97.6 | Very high | 97 | Very high | 103 Ų | 103 | 87 Ų | 87 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.6 | -33.4 | 179.5 | -70.9 | -10.1 | 0 | 0 | 0 | 111.9 | E38 | E38-N42 WeakPolarHBondContact O-CB 3.48Å; E38-N42 PolarHBondContact O-N 2.94Å; E38-N42 PolarHBondContact O-ND2 2.98Å; E38-N42 PolarHBondContact O-OD1 2.89Å |
| 43 | N | 96.6 | Very high | 96.9 | Very high | 51 Ų | 51 | 92.4 Ų | 92.4 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 8.4 | -179.5 | -63.2 | -79.7 | 0 | 0 | 0 | 113.7 | E39 K41 S45 E46 L55 | E39-N43 PolarHBondContact O-N 3.32Å; E39-N43 PolarHBondContact O-ND2 2.8Å; K41-N43 PolarHBondContact O-N 3.25Å; N43-S45 PolarHBondContact O-N 3.29Å; N43-E46 WeakPolarHBondContact O-CB 3.47Å; N43-E46 PolarHBondContact O-N 2.82Å; N43-E46 VanDerWaalsContact O-N 3.12Å; N43-L55 HydrophobicContact CB-CD1 3.8Å; N43-L55 WeakPolarHBondContact OD1-CD1 3.33Å |
| 44 | K | 95.1 | Very high | 96.9 | Very high | 174 Ų | 174 | 90.7 Ų | 90.7 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.5 | -174.2 | -179 | -179.1 | 175 | -173.7 | 0 | 113.6 | F40 K41 | F40-K44 PolarHBondContact O-N 3.2Å; K41-K44 VanDerWaalsContact O-CB 3.29Å; K41-K44 WeakPolarHBondContact O-CB 3.29Å; K41-K44 PolarHBondContact O-N 3.2Å |
| 45 | S | 95.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 88.4 Ų | 88.4 | 79% | 0.79 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.5 | -176.7 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | N43 | N43-S45 PolarHBondContact O-N 3.29Š|
| 46 | E | 95.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 85.3 Ų | 85.3 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | trans | -68.1 | 130.9 | 177.2 | -178.2 | 55.3 | -103.8 | 0 | 0 | 110.6 | N43 S48 K51 I52 | N43-E46 WeakPolarHBondContact O-CB 3.47Å; N43-E46 PolarHBondContact O-N 2.82Å; N43-E46 VanDerWaalsContact O-N 3.12Å; E46-S48 WeakPolarHBondContact OE1-CA 3.37Å; E46-S48 WeakPolarHBondContact OE1-CB 3.47Å; E46-S48 PolarHBondContact OE1-N 3.29Å; E46-K51 HydrophobicContact CG-CB 3.96Å; E46-K51 HydrophobicContact CG-CG 3.88Å; E46-K51 WeakPolarHBondContact OE2-CG 3.09Å; E46-I52 HydrophobicContact CB-CG1 4.5Å; E46-I52 HydrophobicContact CG-CG1 3.93Å | ||
| 47 | T | 94.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 91 Ų | 91 | 76% | 0.755 | 46% | 0.457 | S | S | * | . | trans | -118.4 | -11.9 | -178 | 58.1 | 0 | 0 | 0 | 0 | 113 | P49 | T47-P49 VanDerWaalsContact O-CD 3.29Å; T47-P49 WeakPolarHBondContact O-CD 3.32Å | ||
| 48 | S | 96.5 | Very high | 96.7 | Very high | 48 Ų | 48 | 92.8 Ų | 92.8 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | trans | -71.5 | 117 | 178.8 | 176 | 0 | 0 | 0 | 0 | 110.7 | E46 K50 K51 I52 | E46-S48 WeakPolarHBondContact OE1-CA 3.37Å; E46-S48 WeakPolarHBondContact OE1-CB 3.47Å; E46-S48 PolarHBondContact OE1-N 3.29Å; S48-K50 VanDerWaalsContact C-N 3.27Å; S48-K50 PolarHBondContact O-N 3.01Å; S48-K51 PolarHBondContact O-N 3.4Å; S48-K51 VanDerWaalsContact O-N 3.15Å; S48-K51 PolarHBondContact OG-N 3.48Å; S48-I52 WeakPolarHBondContact O-CG1 3.07Å; S48-I52 PolarHBondContact O-N 2.97Å | ||
| 49 | P | 94.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 89.1 Ų | 89.1 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.2 | -39.7 | -179.6 | -25.7 | 35.4 | 0 | 0 | 0 | 112.9 | T47 I52 E53 | T47-P49 VanDerWaalsContact O-CD 3.29Å; T47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-I52 PolarHBondContact O-N 3.39Å; P49-E53 PolarHBondContact O-N 3.07Å |
| 50 | K | 96.1 | Very high | 96.7 | Very high | 145 Ų | 145 | 88 Ų | 88 | 63% | 0.63 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 178.3 | -172.9 | -177.6 | 176.5 | -176.1 | 0 | 111.4 | S48 E53 E54 | S48-K50 VanDerWaalsContact C-N 3.27Å; S48-K50 PolarHBondContact O-N 3.01Å; K50-E53 PolarHBondContact O-N 3.42Å; K50-E54 WeakPolarHBondContact CE-OE1 3.37Å; K50-E54 WeakPolarHBondContact O-CG 3.42Å; K50-E54 PolarHBondContact O-N 2.96Å |
| 51 | K | 96.6 | Very high | 96.8 | Very high | 78 Ų | 78 | 89.2 Ų | 89.2 | 34% | 0.339 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 180 | -171.7 | 57 | 175 | 179.9 | 0 | 111.8 | E46 S48 E53 E54 L55 | E46-K51 HydrophobicContact CG-CB 3.96Å; E46-K51 HydrophobicContact CG-CG 3.88Å; E46-K51 WeakPolarHBondContact OE2-CG 3.09Å; S48-K51 PolarHBondContact O-N 3.4Å; S48-K51 VanDerWaalsContact O-N 3.15Å; S48-K51 PolarHBondContact OG-N 3.48Å; K51-E53 VanDerWaalsContact C-N 3.3Å; K51-E53 PolarHBondContact O-N 3.42Å; K51-E54 IonicContact NZ-OE2 3.76Å; K51-E54 PolarHBondContact O-N 2.9Å; K51-L55 HydrophobicContact CG-CD1 4.16Å; K51-L55 VanDerWaalsContact O-CG 3.3Å; K51-L55 WeakPolarHBondContact O-CG 3.45Å; K51-L55 PolarHBondContact O-N 3.42Å |
| 52 | I | 96.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 84.6 Ų | 84.6 | 15% | 0.154 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 174.9 | -65.7 | 165.9 | 0 | 0 | 0 | 110.4 | Q3 V7 E46 S48 P49 L55 M56 | Q3-I52 HydrophobicContact CG-CG2 4.16Å; V7-I52 HydrophobicContact CG2-CG2 4.16Å; E46-I52 HydrophobicContact CB-CG1 4.5Å; E46-I52 HydrophobicContact CG-CG1 3.93Å; S48-I52 WeakPolarHBondContact O-CG1 3.07Å; S48-I52 PolarHBondContact O-N 2.97Å; P49-I52 PolarHBondContact O-N 3.39Å; I52-L55 PolarHBondContact O-N 3.14Å; I52-M56 HydrophobicContact CG2-CG 4.41Å; I52-M56 WeakPolarHBondContact O-CB 3.33Å; I52-M56 WeakPolarHBondContact O-CG 3.42Å; I52-M56 PolarHBondContact O-N 3.29Å |
| 53 | E | 96.5 | Very high | 96.8 | Very high | 132 Ų | 132 | 81.2 Ų | 81.2 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 177.1 | -174.4 | 173.7 | -164.7 | 0 | 0 | 112.3 | P49 K50 K51 L55 M56 K57 | P49-E53 PolarHBondContact O-N 3.07Å; K50-E53 PolarHBondContact O-N 3.42Å; K51-E53 VanDerWaalsContact C-N 3.3Å; K51-E53 PolarHBondContact O-N 3.42Å; E53-L55 PolarHBondContact O-N 2.94Å; E53-M56 PolarHBondContact O-N 3.27Å; E53-K57 PolarHBondContact O-N 3.43Å |
| 54 | E | 97.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 82.6 Ų | 82.6 | 38% | 0.383 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 174.7 | -71.4 | 170.7 | -171.1 | 0 | 0 | 111.9 | K50 K51 M56 K57 I58 | K50-E54 WeakPolarHBondContact CE-OE1 3.37Å; K50-E54 WeakPolarHBondContact O-CG 3.42Å; K50-E54 PolarHBondContact O-N 2.96Å; K51-E54 IonicContact NZ-OE2 3.76Å; K51-E54 PolarHBondContact O-N 2.9Å; E54-M56 PolarHBondContact O-N 2.76Å; E54-K57 WeakPolarHBondContact O-CB 3.49Å; E54-K57 PolarHBondContact O-N 3.4Å; E54-I58 WeakPolarHBondContact O-CG1 3.3Å; E54-I58 PolarHBondContact O-N 3.06Å |
| 55 | L | 97.7 | Very high | 96.8 | Very high | 47 Ų | 47 | 79.2 Ų | 79.2 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 178.4 | -70.6 | 168.5 | 0 | 0 | 0 | 112.2 | N43 K51 I52 E53 K57 I58 G59 | N43-L55 HydrophobicContact CB-CD1 3.8Å; N43-L55 WeakPolarHBondContact OD1-CD1 3.33Å; K51-L55 HydrophobicContact CG-CD1 4.16Å; K51-L55 VanDerWaalsContact O-CG 3.3Å; K51-L55 WeakPolarHBondContact O-CG 3.45Å; K51-L55 PolarHBondContact O-N 3.42Å; I52-L55 PolarHBondContact O-N 3.14Å; E53-L55 PolarHBondContact O-N 2.94Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-I58 PolarHBondContact O-N 3Å; L55-G59 PolarHBondContact O-N 3.5Å |
| 56 | M | 97.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 75.2 Ų | 75.2 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 174.8 | -74.4 | -160.2 | -44.5 | 0 | 0 | 112 | K6 V7 L10 I52 E53 E54 G59 S60 | K6-M56 HydrophobicContact CB-SD 4.02Å; V7-M56 HydrophobicContact CG2-CG 4.01Å; V7-M56 HydrophobicContact CG2-SD 3.65Å; L10-M56 HydrophobicContact CD2-CB 4.26Å; L10-M56 HydrophobicContact CD2-CG 4.45Å; L10-M56 WeakPolarHBondContact CD2-O 3.31Å; I52-M56 HydrophobicContact CG2-CG 4.41Å; I52-M56 WeakPolarHBondContact O-CB 3.33Å; I52-M56 WeakPolarHBondContact O-CG 3.42Å; I52-M56 PolarHBondContact O-N 3.29Å; E53-M56 PolarHBondContact O-N 3.27Å; E54-M56 PolarHBondContact O-N 2.76Å; M56-G59 PolarHBondContact O-N 3.41Å; M56-S60 WeakPolarHBondContact O-CB 3.38Å; M56-S60 PolarHBondContact O-N 2.89Å; M56-S60 PolarHBondContact O-OG 3.25Å |
| 57 | K | 97.8 | Very high | 96.8 | Very high | 140 Ų | 140 | 76.4 Ų | 76.4 | 61% | 0.609 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62 | -50 | 175.4 | -175.6 | 179.2 | 177.4 | -175.6 | 0 | 110.5 | E53 E54 L55 G59 S60 D61 | E53-K57 PolarHBondContact O-N 3.43Å; E54-K57 WeakPolarHBondContact O-CB 3.49Å; E54-K57 PolarHBondContact O-N 3.4Å; L55-K57 VanDerWaalsContact C-N 3.33Å; K57-G59 VanDerWaalsContact C-N 3.32Å; K57-G59 PolarHBondContact O-N 3.02Å; K57-S60 WeakPolarHBondContact O-CB 3.39Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-D61 PolarHBondContact O-N 3.45Å |
| 58 | I | 97.9 | Very high | 96.8 | Very high | 98 Ų | 98 | 73.3 Ų | 73.3 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.9 | -48.9 | 176.8 | -67.5 | 163.9 | 0 | 0 | 0 | 110.9 | E54 L55 S60 D61 V62 | E54-I58 WeakPolarHBondContact O-CG1 3.3Å; E54-I58 PolarHBondContact O-N 3.06Å; L55-I58 PolarHBondContact O-N 3Å; I58-S60 VanDerWaalsContact C-N 3.28Å; I58-S60 PolarHBondContact O-N 3.29Å; I58-D61 PolarHBondContact O-N 3.12Å; I58-V62 HydrophobicContact CG2-CG2 4.49Å; I58-V62 VanDerWaalsContact O-CG2 3.32Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 2.97Å |
| 59 | G | 97.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L55 M56 K57 E63 | L55-G59 PolarHBondContact O-N 3.5Å; M56-G59 PolarHBondContact O-N 3.41Å; K57-G59 VanDerWaalsContact C-N 3.32Å; K57-G59 PolarHBondContact O-N 3.02Å; G59-E63 WeakPolarHBondContact O-CB 3.44Å; G59-E63 PolarHBondContact O-N 3.46Å |
| 60 | S | 98.2 | Very high | 96.6 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | M56 K57 I58 V62 E63 L64 | M56-S60 WeakPolarHBondContact O-CB 3.38Å; M56-S60 PolarHBondContact O-N 2.89Å; M56-S60 PolarHBondContact O-OG 3.25Å; K57-S60 WeakPolarHBondContact O-CB 3.39Å; K57-S60 PolarHBondContact O-N 2.95Å; I58-S60 VanDerWaalsContact C-N 3.28Å; I58-S60 PolarHBondContact O-N 3.29Å; S60-V62 VanDerWaalsContact C-N 3.34Å; S60-E63 WeakPolarHBondContact O-CB 3.33Å; S60-E63 PolarHBondContact O-N 3.42Å; S60-L64 PolarHBondContact O-N 3.02Å |
| 61 | D | 98.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 69.5 Ų | 69.5 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.1 | -66.3 | -18.9 | 0 | 0 | 0 | 110.9 | K57 I58 L64 L65 | K57-D61 PolarHBondContact O-N 3.45Å; I58-D61 PolarHBondContact O-N 3.12Å; D61-L64 PolarHBondContact O-N 3.19Å; D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 3.06Å |
| 62 | V | 97.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 173.6 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | L14 I58 S60 L64 L65 L66 | L14-V62 HydrophobicContact CD2-CG1 4.16Å; I58-V62 HydrophobicContact CG2-CG2 4.49Å; I58-V62 VanDerWaalsContact O-CG2 3.32Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 2.97Å; S60-V62 VanDerWaalsContact C-N 3.34Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-L64 PolarHBondContact O-N 3.36Å; V62-L65 PolarHBondContact O-N 2.97Å; V62-L66 HydrophobicContact CG1-CD1 4.1Å; V62-L66 HydrophobicContact CG1-CG 4.35Å; V62-L66 WeakPolarHBondContact O-CB 3.47Å; V62-L66 VanDerWaalsContact O-CG 3.29Å; V62-L66 WeakPolarHBondContact O-CG 3.33Å; V62-L66 PolarHBondContact O-N 3.34Å |
| 63 | E | 97.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 67.6 Ų | 67.6 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 175.3 | -170.4 | -73.2 | 142.6 | 0 | 0 | 111.2 | T13 L14 T17 G59 S60 L66 R67 | T13-E63 HydrophobicContact CG2-CG 3.63Å; L14-E63 HydrophobicContact CD2-CB 3.79Å; L14-E63 HydrophobicContact CD2-CG 4.36Å; L14-E63 HydrophobicContact CG-CB 4.41Å; T17-E63 HydrophobicContact CG2-CG 4.42Å; T17-E63 PolarHBondContact OG1-OE1 3.24Å; G59-E63 WeakPolarHBondContact O-CB 3.44Å; G59-E63 PolarHBondContact O-N 3.46Å; S60-E63 WeakPolarHBondContact O-CB 3.33Å; S60-E63 PolarHBondContact O-N 3.42Å; E63-L66 PolarHBondContact O-N 3.28Å; E63-R67 WeakPolarHBondContact O-CB 3.49Å; E63-R67 PolarHBondContact O-N 2.98Å; E63-R67 VanDerWaalsContact O-N 3.07Å; E63-R67 IonicContact OE1-NE 3.98Å |
| 64 | L | 96.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 66 Ų | 66 | 42% | 0.419 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 178.5 | 179.5 | 62.5 | 0 | 0 | 0 | 111 | S60 D61 V62 L66 R67 T68 | S60-L64 PolarHBondContact O-N 3.02Å; D61-L64 PolarHBondContact O-N 3.19Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-L64 PolarHBondContact O-N 3.36Å; L64-L66 PolarHBondContact O-N 3.01Å; L64-R67 PolarHBondContact O-N 3.14Å; L64-R67 VanDerWaalsContact O-N 3.14Å; L64-T68 HydrophobicContact CD1-CG2 3.73Å; L64-T68 HydrophobicContact CG-CG2 4.45Å; L64-T68 WeakPolarHBondContact O-CG2 3.48Å; L64-T68 PolarHBondContact O-N 2.94Å; L64-T68 PolarHBondContact O-OG1 2.94Å |
| 65 | L | 96.5 | Very high | 96 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.7 | -48 | 179.5 | -175.3 | 79.1 | 0 | 0 | 0 | 112.1 | D61 V62 R67 T68 S69 | D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 3.06Å; V62-L65 PolarHBondContact O-N 2.97Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 3.12Å; L65-T68 PolarHBondContact O-N 3.39Å; L65-S69 WeakPolarHBondContact O-CB 3.08Å; L65-S69 PolarHBondContact O-N 2.87Å |
| 66 | L | 95.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 69.7 Ų | 69.7 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 178 | -74.1 | 176.7 | 0 | 0 | 0 | 110.9 | T17 V21 F22 V62 E63 L64 V70 R86 | T17-L66 HydrophobicContact CG2-CB 3.84Å; V21-L66 HydrophobicContact CG2-CB 4.25Å; V21-L66 VanDerWaalsContact CG2-O 3.29Å; V21-L66 WeakPolarHBondContact CG2-O 3.27Å; F22-L66 HydrophobicContact CE2-CD2 4.31Å; F22-L66 HydrophobicContact CZ-CD2 4Å; V62-L66 HydrophobicContact CG1-CD1 4.1Å; V62-L66 HydrophobicContact CG1-CG 4.35Å; V62-L66 WeakPolarHBondContact O-CB 3.47Å; V62-L66 VanDerWaalsContact O-CG 3.29Å; V62-L66 WeakPolarHBondContact O-CG 3.33Å; V62-L66 PolarHBondContact O-N 3.34Å; E63-L66 PolarHBondContact O-N 3.28Å; L64-L66 PolarHBondContact O-N 3.01Å; L66-V70 HydrophobicContact CD2-CG2 4.06Å; L66-R86 PolarHBondContact O-NH2 3.49Å; L66-R86 VanDerWaalsContact O-NH2 3.08Å |
| 67 | R | 94.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69 | -42.6 | -178.1 | -170.9 | 174 | 57.9 | 73.5 | -0.3 | 112.4 | T17 E63 L64 L65 R86 | T17-R67 HydrophobicContact CG2-CB 4.21Å; E63-R67 WeakPolarHBondContact O-CB 3.49Å; E63-R67 PolarHBondContact O-N 2.98Å; E63-R67 VanDerWaalsContact O-N 3.07Å; E63-R67 IonicContact OE1-NE 3.98Å; L64-R67 PolarHBondContact O-N 3.14Å; L64-R67 VanDerWaalsContact O-N 3.14Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 3.12Å; R67-R86 PolarHBondContact O-NH2 3.48Å |
| 68 | T | 94.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 77 Ų | 77 | 36% | 0.356 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -96.3 | -19.2 | -169.5 | 59.8 | 0 | 0 | 0 | 0 | 115.3 | L64 L65 L89 | L64-T68 HydrophobicContact CD1-CG2 3.73Å; L64-T68 HydrophobicContact CG-CG2 4.45Å; L64-T68 WeakPolarHBondContact O-CG2 3.48Å; L64-T68 PolarHBondContact O-N 2.94Å; L64-T68 PolarHBondContact O-OG1 2.94Å; L65-T68 PolarHBondContact O-N 3.39Å; T68-L89 VanDerWaalsContact C-CD2 3.47Å; T68-L89 WeakPolarHBondContact O-CD2 3.47Å |
| 69 | S | 93.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 80.1 Ų | 80.1 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -129.5 | -5.9 | -164.7 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | L65 | L65-S69 WeakPolarHBondContact O-CB 3.08Å; L65-S69 PolarHBondContact O-N 2.87Å |
| 70 | V | 94.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 83.1 Ų | 83.1 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | trans | -101.8 | 121.2 | -179.7 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | V21 F22 L66 R86 | V21-V70 HydrophobicContact CG1-CB 3.81Å; V21-V70 HydrophobicContact CG1-CG1 3.56Å; F22-V70 HydrophobicContact CE1-CG1 4.04Å; L66-V70 HydrophobicContact CD2-CG2 4.06Å; V70-R86 VanDerWaalsContact O-CZ 3.25Å; V70-R86 PolarHBondContact O-NH1 2.9Å; V70-R86 PolarHBondContact O-NH2 2.95Å | ||
| 71 | I | 94.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 84.7 Ų | 84.7 | 42% | 0.415 | 46% | 0.456 | S | S | . | . | trans | -114.2 | 136.8 | 171.3 | -64 | 171.4 | 0 | 0 | 0 | 108.7 | L83 P85 L89 | I71-L83 HydrophobicContact CG2-CB 4.19Å; I71-L83 HydrophobicContact CG2-CD2 4.33Å; I71-P85 HydrophobicContact CD1-CB 4.34Å; I71-P85 HydrophobicContact CG1-CB 4.46Å; I71-P85 HydrophobicContact CG2-CB 4.35Å; I71-L89 HydrophobicContact CD1-CD1 4.37Å; I71-L89 HydrophobicContact CG1-CD1 3.63Å | ||
| 72 | Q | 95.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 86.9 Ų | 86.9 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.8 | 175.7 | -64.1 | -174.5 | 92.5 | 0 | 0 | 110.3 | V21 K23 L83 V84 | V21-Q72 VanDerWaalsContact O-CG 3.27Å; V21-Q72 WeakPolarHBondContact O-CG 3.5Å; V21-Q72 PolarHBondContact O-NE2 3.38Å; V21-Q72 VanDerWaalsContact O-NE2 3.11Å; K23-Q72 PolarHBondContact O-NE2 2.9Å; K23-Q72 VanDerWaalsContact O-NE2 3.16Å; K23-Q72 PolarHBondContact O-OE1 2.8Å; Q72-L83 CarbonylContact O-C 3.58Å; Q72-L83 WeakPolarHBondContact O-CA 3.48Å; Q72-V84 HydrophobicContact CB-CB 4.33Å; Q72-V84 PolarHBondContact O-N 3.26Å |
| 73 | G | 94.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 88.9 Ų | 88.9 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K82 | G73-K82 WeakPolarHBondContact CA-O 3.42Å |
| 74 | I | 92.9 | Very high | 92.4 | Very high | 97 Ų | 97 | 90 Ų | 90 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.8 | 177.9 | -56.1 | 174 | 0 | 0 | 0 | 108 | T76 K82 V84 | I74-T76 PolarHBondContact O-N 3.1Å; I74-K82 HydrophobicContact CB-CB 4.43Å; I74-K82 PolarHBondContact N-O 3.45Å; I74-K82 PolarHBondContact O-N 3.46Å; I74-V84 HydrophobicContact CD1-CG2 3.9Å; I74-V84 HydrophobicContact CG1-CG2 4.33Å |
| 75 | H | 91.3 | Very high | 92.2 | Very high | 156 Ų | 156 | 88.7 Ų | 88.7 | 72% | 0.722 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 136.6 | 173.8 | -81.8 | -85.3 | 0 | 0 | 0 | 110.1 | ||
| 76 | T | 89.4 | Confident | 92.1 | Very high | 51 Ų | 51 | 85.5 Ų | 85.5 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | trans | -109.1 | 167.8 | 170 | 79.1 | 0 | 0 | 0 | 0 | 109.5 | I74 Q78 T80 K82 | I74-T76 PolarHBondContact O-N 3.1Å; T76-Q78 PolarHBondContact O-N 3.17Å; T76-T80 PolarHBondContact N-O 2.77Å; T76-T80 PolarHBondContact OG1-O 3.01Å; T76-T80 VanDerWaalsContact OG1-O 3.12Å; T76-T80 PolarHBondContact OG1-OG1 3.33Å; T76-K82 HydrophobicContact CG2-CB 4.21Å | ||
| 77 | D | 84.1 | Confident | 91.7 | Very high | 175 Ų | 175 | 93.1 Ų | 93.1 | 94% | 0.936 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.2 | -174.8 | -51.3 | -33.5 | 0 | 0 | 0 | 113.9 | ||
| 78 | Q | 80.1 | Confident | 91.3 | Very high | 159 Ų | 159 | 93.3 Ų | 93.3 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 31.6 | -170.6 | -65.1 | 177.1 | -17.9 | 0 | 0 | 113.7 | T76 T80 | T76-Q78 PolarHBondContact O-N 3.17Å; Q78-T80 PolarHBondContact O-N 3.48Å |
| 79 | N | 87 | Confident | 91 | Very high | 162 Ų | 162 | 92.5 Ų | 92.5 | 87% | 0.866 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 55.7 | 25.6 | -176.1 | -159.7 | 39.1 | 0 | 0 | 0 | 113.3 | ||
| 80 | T | 92.2 | Very high | 90.6 | Very high | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | trans | -113.2 | 159.2 | 174.6 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | T76 Q78 | T76-T80 PolarHBondContact N-O 2.77Å; T76-T80 PolarHBondContact OG1-O 3.01Å; T76-T80 VanDerWaalsContact OG1-O 3.12Å; T76-T80 PolarHBondContact OG1-OG1 3.33Å; Q78-T80 PolarHBondContact O-N 3.48Å | ||
| 81 | L | 93 | Very high | 90.2 | Very high | 87 Ų | 87 | 98.1 Ų | 98.1 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.1 | -179.1 | -167 | 75.2 | 0 | 0 | 0 | 109.2 | L83 | L81-L83 HydrophobicContact CD2-CD2 3.67Å; L81-L83 HydrophobicContact CG-CD2 4.23Å; L81-L83 PolarHBondContact O-N 3.26Å |
| 82 | K | 93.6 | Very high | 89.6 | Confident | 133 Ų | 133 | 102.7 Ų | 102.7 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 110.4 | 168.9 | -178.2 | -179.2 | 179.5 | 178 | 0 | 108.9 | G73 I74 T76 | G73-K82 WeakPolarHBondContact CA-O 3.42Å; I74-K82 HydrophobicContact CB-CB 4.43Å; I74-K82 PolarHBondContact N-O 3.45Å; I74-K82 PolarHBondContact O-N 3.46Å; T76-K82 HydrophobicContact CG2-CB 4.21Å |
| 83 | L | 93.8 | Very high | 88.8 | Confident | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 139.4 | 172.9 | -61 | -178.6 | 0 | 0 | 0 | 110.8 | I71 Q72 L81 P85 | I71-L83 HydrophobicContact CG2-CB 4.19Å; I71-L83 HydrophobicContact CG2-CD2 4.33Å; Q72-L83 CarbonylContact O-C 3.58Å; Q72-L83 WeakPolarHBondContact O-CA 3.48Å; L81-L83 HydrophobicContact CD2-CD2 3.67Å; L81-L83 HydrophobicContact CG-CD2 4.23Å; L81-L83 PolarHBondContact O-N 3.26Å; L83-P85 VanDerWaalsContact C-CD 3.42Å; L83-P85 WeakPolarHBondContact O-CD 3.42Å |
| 84 | V | 93.5 | Very high | 88.1 | Confident | 56 Ų | 56 | 113.2 Ų | 113.2 | 34% | 0.339 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 73.7 | 177.6 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | Q72 I74 | Q72-V84 HydrophobicContact CB-CB 4.33Å; Q72-V84 PolarHBondContact O-N 3.26Å; I74-V84 HydrophobicContact CD1-CG2 3.9Å; I74-V84 HydrophobicContact CG1-CG2 4.33Å |
| 85 | P | 92.6 | Very high | 87.6 | Confident | 52 Ų | 52 | 114 Ų | 114 | 34% | 0.338 | 60% | 0.598 | S | S | . | * | trans | -68.4 | 147.2 | 175.3 | 29.6 | -34.3 | 0 | 0 | 0 | 110.5 | I71 L83 L90 | I71-P85 HydrophobicContact CD1-CB 4.34Å; I71-P85 HydrophobicContact CG1-CB 4.46Å; I71-P85 HydrophobicContact CG2-CB 4.35Å; L83-P85 VanDerWaalsContact C-CD 3.42Å; L83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-L90 HydrophobicContact CB-CD2 3.86Å; P85-L90 HydrophobicContact CB-CG 4.5Å; P85-L90 HydrophobicContact CG-CD2 3.76Å | ||
| 86 | R | 93.2 | Very high | 87 | Confident | 35 Ų | 35 | 115.9 Ų | 115.9 | 13% | 0.132 | 60% | 0.6 | C | S | . | * | trans | -84.1 | 153.9 | 171 | -62.5 | 179.4 | -66.2 | -77.9 | -0.4 | 109.5 | L66 R67 V70 D88 L89 | L66-R86 PolarHBondContact O-NH2 3.49Å; L66-R86 VanDerWaalsContact O-NH2 3.08Å; R67-R86 PolarHBondContact O-NH2 3.48Å; V70-R86 VanDerWaalsContact O-CZ 3.25Å; V70-R86 PolarHBondContact O-NH1 2.9Å; V70-R86 PolarHBondContact O-NH2 2.95Å; R86-D88 WeakPolarHBondContact CB-OD1 3.45Å; R86-D88 IonicContact NE-OD1 3.97Å; R86-D88 PolarHBondContact O-N 3.15Å; R86-L89 HydrophobicContact CB-CG 4.47Å; R86-L89 WeakPolarHBondContact O-CB 3.29Å; R86-L89 PolarHBondContact O-N 3.32Å | ||
| 87 | K | 87.6 | Confident | 86.7 | Confident | 191 Ų | 191 | 117.2 Ų | 117.2 | 83% | 0.83 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -58.4 | -34.8 | -174.7 | -69.2 | -173.3 | 176.6 | -174.2 | 0 | 113.2 | L89 L90 | K87-L89 PolarHBondContact O-N 3.45Å; K87-L90 PolarHBondContact O-N 3.3Å |
| 88 | D | 86.2 | Confident | 86.6 | Confident | 96 Ų | 96 | 115.4 Ų | 115.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -68.7 | -13.9 | 177.7 | 58.5 | -42.8 | 0 | 0 | 0 | 113.9 | R86 | R86-D88 WeakPolarHBondContact CB-OD1 3.45Å; R86-D88 IonicContact NE-OD1 3.97Å; R86-D88 PolarHBondContact O-N 3.15Å |
| 89 | L | 87.3 | Confident | 86.7 | Confident | 41 Ų | 41 | 110.7 Ų | 110.7 | 22% | 0.215 | 59% | 0.589 | C | S | . | * | G | 310 helix | trans | -95.6 | -13.4 | 175.1 | -59.5 | -177.6 | 0 | 0 | 0 | 113.3 | T68 I71 R86 K87 | T68-L89 VanDerWaalsContact C-CD2 3.47Å; T68-L89 WeakPolarHBondContact O-CD2 3.47Å; I71-L89 HydrophobicContact CD1-CD1 4.37Å; I71-L89 HydrophobicContact CG1-CD1 3.63Å; R86-L89 HydrophobicContact CB-CG 4.47Å; R86-L89 WeakPolarHBondContact O-CB 3.29Å; R86-L89 PolarHBondContact O-N 3.32Å; K87-L89 PolarHBondContact O-N 3.45Å |
| 90 | L | 86.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 129.4 | -177.9 | -63 | 177.1 | 0 | 0 | 0 | 109.4 | P85 K87 | P85-L90 HydrophobicContact CB-CD2 3.86Å; P85-L90 HydrophobicContact CB-CG 4.5Å; P85-L90 HydrophobicContact CG-CD2 3.76Å; K87-L90 PolarHBondContact O-N 3.3Å |
| 91 | V | 84.6 | Confident | 84.8 | Confident | 128 Ų | 128 | 111.2 Ų | 111.2 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 160.1 | 171.6 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | N93 | V91-N93 PolarHBondContact O-N 3.38Š|
| 92 | E | 82.9 | Confident | 83.4 | Confident | 178 Ų | 178 | 116.1 Ų | 116.1 | 83% | 0.832 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.6 | 170.9 | -69.8 | -175.6 | 177.1 | 0 | 0 | 109.8 | V94 | E92-V94 PolarHBondContact O-N 3.04Š|
| 93 | N | 79.3 | Confident | 81.7 | Confident | 167 Ų | 167 | 119.7 Ų | 119.7 | 89% | 0.893 | 64% | 0.636 | S | S | * | * | trans | -66.5 | 108 | 177.4 | -76.1 | -41.4 | 0 | 0 | 0 | 108.6 | V91 | V91-N93 PolarHBondContact O-N 3.38Š| ||
| 94 | V | 78.9 | Confident | 79.5 | Confident | 122 Ų | 122 | 127.4 Ų | 127.4 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -97 | 127.4 | 167.4 | -174.1 | 0 | 0 | 0 | 0 | 106.8 | E92 Y96 | E92-V94 PolarHBondContact O-N 3.04Å; V94-Y96 PolarHBondContact O-N 3.24Å |
| 95 | P | 82.6 | Confident | 78.8 | Confident | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 133.1 | 172.1 | -25.7 | 34.1 | 0 | 0 | 0 | 109.8 | C97 | P95-C97 PolarHBondContact O-N 2.76Š|
| 96 | Y | 79.1 | Confident | 78.1 | Confident | 195 Ų | 195 | 135.2 Ų | 135.2 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129 | 173.5 | 173.8 | -95.4 | 0 | 0 | 0 | 109 | V94 D98 | V94-Y96 PolarHBondContact O-N 3.24Å; Y96-D98 WeakPolarHBondContact CE1-OD1 3.47Å; Y96-D98 VanDerWaalsContact CZ-OD1 3.31Å; Y96-D98 PolarHBondContact OH-OD1 3.33Å |
| 97 | C | 81.8 | Confident | 77.2 | Confident | 78 Ų | 78 | 140.7 Ų | 140.7 | 53% | 0.527 | 74% | 0.736 | S | S | . | * | trans | -127.2 | 122.1 | 179.9 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | P95 A99 | P95-C97 PolarHBondContact O-N 2.76Å; C97-A99 PolarHBondContact O-N 2.96Å; C97-A99 PolarHBondContact SG-O 3.05Å | ||
| 98 | D | 82.8 | Confident | 76.6 | Confident | 138 Ų | 138 | 137.8 Ų | 137.8 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -64.8 | -22 | 177.6 | -70.2 | -55.7 | 0 | 0 | 0 | 112.6 | Y96 | Y96-D98 WeakPolarHBondContact CE1-OD1 3.47Å; Y96-D98 VanDerWaalsContact CZ-OD1 3.31Å; Y96-D98 PolarHBondContact OH-OD1 3.33Å |
| 99 | A | 81.9 | Confident | 76 | Confident | 60 Ų | 60 | 140.4 Ų | 140.4 | 50% | 0.496 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -98.7 | 122 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | C97 T101 | C97-A99 PolarHBondContact O-N 2.96Å; C97-A99 PolarHBondContact SG-O 3.05Å; A99-T101 PolarHBondContact O-N 3.25Å; A99-T101 VanDerWaalsContact O-N 3.14Å |
| 100 | P | 71.3 | Confident | 75.3 | Confident | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119.9 | 174.2 | 24.1 | -31 | 0 | 0 | 0 | 109.4 | Q102 | P100-Q102 PolarHBondContact O-N 3.35Š|
| 101 | T | 69.2 | Low | 74.5 | Confident | 125 Ų | 125 | 149.6 Ų | 149.6 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 127.7 | 170 | 30.5 | 0 | 0 | 0 | 0 | 109.3 | A99 K103 | A99-T101 PolarHBondContact O-N 3.25Å; A99-T101 VanDerWaalsContact O-N 3.14Å; T101-K103 PolarHBondContact O-N 3.48Å |
| 102 | Q | 62.8 | Low | 73.7 | Confident | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 125.4 | 171.4 | -68.4 | -175.9 | -1.7 | 0 | 0 | 108.5 | P100 Q104 | P100-Q102 PolarHBondContact O-N 3.35Å; Q102-Q104 PolarHBondContact O-N 3.28Å |
| 103 | K | 58.5 | Low | 72.9 | Confident | 209 Ų | 209 | 149.1 Ų | 149.1 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 121.7 | 171.7 | -70.4 | -175.8 | 176.5 | -177.7 | 0 | 107.8 | T101 | T101-K103 PolarHBondContact O-N 3.48Š|
| 104 | Q | 47 | Very low | 72.3 | Confident | 268 Ų | 268 | 147.5 Ų | 147.5 | 100% | 1.252 | 78% | 0.784 | S | S | * | * | trans | -69.1 | 0 | 162.6 | -77.1 | -175.2 | -10.2 | 0 | 0 | 110.2 | Q102 | Q102-Q104 PolarHBondContact O-N 3.28Š|
Retrieved 104 of 104 residues in 284.1 ms
(Link to these results)