| 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 | A | 41.3 | Very low | 86.6 | Confident | 152 Ų | 152 | 99.5 Ų | 99.5 | 100% | 1.256 | 54% | 0.537 | S | S | * | . | 0 | 121.6 | 0 | 0 | 0 | 0 | 0 | 0 | 106.3 | G3 | A1-G3 PolarHBondContact O-N 3.07Å; A1-G3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | E | 56.9 | Low | 87.6 | Confident | 198 Ų | 198 | 95.4 Ų | 95.4 | 93% | 0.925 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 120 | 169.9 | -75.6 | 175.2 | 158.7 | 0 | 0 | 107 | ||
| 3 | G | 82.9 | Confident | 88.4 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 152.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1 | A1-G3 PolarHBondContact O-N 3.07Å; A1-G3 VanDerWaalsContact O-N 3.15Å |
| 4 | L | 92.5 | Very high | 89.1 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 151.5 | 173.5 | -58.6 | 174.3 | 0 | 0 | 0 | 110.4 | Q8 Y9 L12 | L4-Q8 HydrophobicContact CB-CB 3.89Å; L4-Q8 HydrophobicContact CD2-CB 4.24Å; L4-Q8 HydrophobicContact CG-CB 4.48Å; L4-Y9 HydrophobicContact CB-CD1 4.12Å; L4-Y9 HydrophobicContact CB-CD2 4.19Å; L4-Y9 HydrophobicContact CB-CE1 3.82Å; L4-Y9 HydrophobicContact CB-CE2 3.9Å; L4-Y9 HydrophobicContact CB-CG 4.29Å; L4-Y9 HydrophobicContact CD1-CD1 4.04Å; L4-Y9 HydrophobicContact CD1-CE1 3.87Å; L4-Y9 HydrophobicContact CG-CE1 4.28Å; L4-Y9 WeakPolarHBondContact O-CE2 3.47Å; L4-L12 HydrophobicContact CD1-CD1 3.27Å; L4-L12 HydrophobicContact CD1-CG 4.46Å |
| 5 | N | 94.3 | Very high | 89.7 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 173.6 | 172.4 | 70.7 | 33.8 | 0 | 0 | 0 | 111.7 | E7 Q8 Y9 | N5-E7 PolarHBondContact O-N 3.5Å; N5-E7 PolarHBondContact OD1-N 3.19Å; N5-Q8 PolarHBondContact O-N 3.27Å; N5-Q8 WeakPolarHBondContact OD1-CB 3.32Å; N5-Q8 VanDerWaalsContact OD1-CG 3.31Å; N5-Q8 WeakPolarHBondContact OD1-CG 3.33Å; N5-Q8 PolarHBondContact OD1-N 3.35Å; N5-Y9 VanDerWaalsContact O-CD2 3.25Å; N5-Y9 WeakPolarHBondContact O-CD2 3.26Å; N5-Y9 PolarHBondContact O-N 3.38Å |
| 6 | R | 95.8 | Very high | 90.3 | Very high | 70 Ų | 70 | 78.6 Ų | 78.6 | 26% | 0.264 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.5 | -49.7 | -178.5 | -176 | 177.2 | -178.6 | 160.6 | -2.9 | 112.3 | Q8 Y9 V10 V32 S36 S40 E41 E46 | R6-Q8 VanDerWaalsContact C-N 3.32Å; R6-Q8 PolarHBondContact O-N 3.33Å; R6-Y9 PolarHBondContact O-N 3Å; R6-V10 WeakPolarHBondContact O-CG2 3.36Å; R6-V10 PolarHBondContact O-N 2.71Å; R6-V32 HydrophobicContact CG-CG1 4.11Å; R6-S36 WeakPolarHBondContact CD-OG 3.26Å; R6-S36 VanDerWaalsContact NH1-CB 3.32Å; R6-S36 PolarHBondContact NH1-OG 3.07Å; R6-S40 PolarHBondContact NH1-OG 3.48Å; R6-E41 PolarHBondContact NH2-O 3.17Å; R6-E41 VanDerWaalsContact NH2-O 3.08Å; R6-E46 IonicContact CZ-OE1 3.42Å; R6-E46 IonicContact CZ-OE2 2.66Å; R6-E46 IonicContact NE-OE1 2.81Å; R6-E46 PolarHBondContact NE-OE1 3.45Å; R6-E46 IonicContact NE-OE2 3.48Å; R6-E46 IonicContact NH2-OE1 2.74Å; R6-E46 PolarHBondContact NH2-OE1 2.85Å; R6-E46 IonicContact NH2-OE2 3.57Å; R6-E46 PolarHBondContact NH2-OE2 3.2Å |
| 7 | E | 96.6 | Very high | 90.7 | Very high | 158 Ų | 158 | 77.9 Ų | 77.9 | 74% | 0.738 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | -179.3 | -63.7 | 176.2 | 179.9 | 0 | 0 | 112 | N5 V10 Y11 | N5-E7 PolarHBondContact O-N 3.5Å; N5-E7 PolarHBondContact OD1-N 3.19Å; E7-V10 PolarHBondContact O-N 2.72Å; E7-Y11 WeakPolarHBondContact O-CB 3.3Å; E7-Y11 PolarHBondContact O-N 3.33Å |
| 8 | Q | 97.5 | Very high | 91.1 | Very high | 87 Ų | 87 | 82.7 Ų | 82.7 | 41% | 0.407 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 176.6 | -72.3 | 172.9 | -39.2 | 0 | 0 | 112.2 | L4 N5 R6 Y11 L12 | L4-Q8 HydrophobicContact CB-CB 3.89Å; L4-Q8 HydrophobicContact CD2-CB 4.24Å; L4-Q8 HydrophobicContact CG-CB 4.48Å; N5-Q8 PolarHBondContact O-N 3.27Å; N5-Q8 WeakPolarHBondContact OD1-CB 3.32Å; N5-Q8 VanDerWaalsContact OD1-CG 3.31Å; N5-Q8 WeakPolarHBondContact OD1-CG 3.33Å; N5-Q8 PolarHBondContact OD1-N 3.35Å; R6-Q8 VanDerWaalsContact C-N 3.32Å; R6-Q8 PolarHBondContact O-N 3.33Å; Q8-Y11 PolarHBondContact O-N 2.91Å; Q8-L12 WeakPolarHBondContact O-CG 3.36Å; Q8-L12 PolarHBondContact O-N 3.37Å |
| 9 | Y | 98 | Very high | 91.5 | Very high | 45 Ų | 45 | 81.6 Ų | 81.6 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 173.2 | -73.8 | -58.1 | 0 | 0 | 0 | 112.1 | L4 N5 R6 Y11 L12 A13 F28 K31 V32 | L4-Y9 HydrophobicContact CB-CD1 4.12Å; L4-Y9 HydrophobicContact CB-CD2 4.19Å; L4-Y9 HydrophobicContact CB-CE1 3.82Å; L4-Y9 HydrophobicContact CB-CE2 3.9Å; L4-Y9 HydrophobicContact CB-CG 4.29Å; L4-Y9 HydrophobicContact CD1-CD1 4.04Å; L4-Y9 HydrophobicContact CD1-CE1 3.87Å; L4-Y9 HydrophobicContact CG-CE1 4.28Å; L4-Y9 WeakPolarHBondContact O-CE2 3.47Å; N5-Y9 VanDerWaalsContact O-CD2 3.25Å; N5-Y9 WeakPolarHBondContact O-CD2 3.26Å; N5-Y9 PolarHBondContact O-N 3.38Å; R6-Y9 PolarHBondContact O-N 3Å; Y9-Y11 VanDerWaalsContact C-N 3.32Å; Y9-Y11 PolarHBondContact O-N 3.14Å; Y9-L12 PolarHBondContact O-N 3.46Å; Y9-A13 PolarHBondContact O-N 3.1Å; Y9-F28 HydrophobicContact CD1-CB 4.4Å; Y9-F28 AromaticContact CD1-CD1 3.84Å; Y9-F28 HydrophobicContact CD1-CD1 3.84Å; Y9-F28 HydrophobicContact CE1-CD1 4.31Å; Y9-K31 HydrophobicContact CD1-CB 3.95Å; Y9-K31 HydrophobicContact CD1-CG 4.23Å; Y9-K31 HydrophobicContact CD2-CB 3.76Å; Y9-K31 HydrophobicContact CE1-CB 3.8Å; Y9-K31 HydrophobicContact CE1-CG 3.73Å; Y9-K31 HydrophobicContact CE2-CB 3.61Å; Y9-K31 HydrophobicContact CE2-CG 4.26Å; Y9-K31 HydrophobicContact CG-CB 3.94Å; Y9-V32 HydrophobicContact CG-CG2 4.5Å |
| 10 | V | 98.2 | Very high | 91.8 | Very high | 16 Ų | 16 | 84.8 Ų | 84.8 | 10% | 0.097 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | R6 E7 A13 N14 V32 E46 L49 | R6-V10 WeakPolarHBondContact O-CG2 3.36Å; R6-V10 PolarHBondContact O-N 2.71Å; E7-V10 PolarHBondContact O-N 2.72Å; V10-A13 PolarHBondContact O-N 3.33Å; V10-N14 PolarHBondContact O-N 2.92Å; V10-N14 PolarHBondContact O-ND2 2.89Å; V10-V32 HydrophobicContact CG2-CG1 4.41Å; V10-V32 HydrophobicContact CG2-CG2 3.84Å; V10-E46 HydrophobicContact CG2-CG 3.82Å; V10-L49 HydrophobicContact CG1-CD1 3.88Å |
| 11 | Y | 98.3 | Very high | 92.1 | Very high | 156 Ų | 156 | 87.1 Ų | 87.1 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 173.5 | 175.3 | -106.2 | 0 | 0 | 0 | 112 | E7 Q8 Y9 A13 N14 V15 | E7-Y11 WeakPolarHBondContact O-CB 3.3Å; E7-Y11 PolarHBondContact O-N 3.33Å; Q8-Y11 PolarHBondContact O-N 2.91Å; Y9-Y11 VanDerWaalsContact C-N 3.32Å; Y9-Y11 PolarHBondContact O-N 3.14Å; Y11-A13 VanDerWaalsContact C-N 3.33Å; Y11-A13 PolarHBondContact O-N 3.01Å; Y11-N14 WeakPolarHBondContact O-CB 3.35Å; Y11-N14 PolarHBondContact O-N 3Å; Y11-V15 HydrophobicContact CD1-CG2 4.3Å; Y11-V15 HydrophobicContact CD2-CG2 4.48Å; Y11-V15 HydrophobicContact CE1-CG2 3.87Å; Y11-V15 HydrophobicContact CE2-CG2 4.06Å; Y11-V15 VanDerWaalsContact O-CG2 3.3Å; Y11-V15 WeakPolarHBondContact O-CG2 3.08Å; Y11-V15 PolarHBondContact O-N 3.12Å |
| 12 | L | 98.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 82.1 Ų | 82.1 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 176.8 | -71.1 | -179.1 | 0 | 0 | 0 | 113 | L4 Q8 Y9 V15 S16 F28 | L4-L12 HydrophobicContact CD1-CD1 3.27Å; L4-L12 HydrophobicContact CD1-CG 4.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.36Å; Q8-L12 PolarHBondContact O-N 3.37Å; Y9-L12 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 2.88Å; L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.16Å; L12-S16 PolarHBondContact O-OG 3.29Å; L12-F28 HydrophobicContact CB-CD1 4.13Å; L12-F28 HydrophobicContact CB-CD2 3.65Å; L12-F28 HydrophobicContact CB-CE1 4.16Å; L12-F28 HydrophobicContact CB-CE2 3.69Å; L12-F28 HydrophobicContact CB-CG 3.89Å; L12-F28 HydrophobicContact CB-CZ 3.94Å; L12-F28 HydrophobicContact CD1-CD1 4.1Å; L12-F28 HydrophobicContact CD1-CE1 3.63Å; L12-F28 HydrophobicContact CD1-CE2 4.41Å; L12-F28 HydrophobicContact CD1-CZ 3.81Å; L12-F28 HydrophobicContact CG-CZ 4.42Å |
| 13 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y9 V10 Y11 V15 S16 E17 M25 F28 M29 | Y9-A13 PolarHBondContact O-N 3.1Å; V10-A13 PolarHBondContact O-N 3.33Å; Y11-A13 VanDerWaalsContact C-N 3.33Å; Y11-A13 PolarHBondContact O-N 3.01Å; A13-V15 PolarHBondContact O-N 3.18Å; A13-S16 PolarHBondContact O-N 2.94Å; A13-E17 PolarHBondContact O-N 3.12Å; A13-M25 HydrophobicContact CB-CG 4.09Å; A13-F28 HydrophobicContact CB-CB 4.27Å; A13-M29 HydrophobicContact CB-CG 3.91Å; A13-M29 HydrophobicContact CB-SD 3.59Å; A13-M29 VanDerWaalsContact CB-SD 3.59Å |
| 14 | N | 98.2 | Very high | 97.5 | Very high | 42 Ų | 42 | 77 Ų | 77 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 174.2 | -82.9 | -73.3 | 0 | 0 | 0 | 112.8 | V10 Y11 S16 E17 Q18 | V10-N14 PolarHBondContact O-N 2.92Å; V10-N14 PolarHBondContact O-ND2 2.89Å; Y11-N14 WeakPolarHBondContact O-CB 3.35Å; Y11-N14 PolarHBondContact O-N 3Å; N14-S16 VanDerWaalsContact C-N 3.3Å; N14-S16 PolarHBondContact O-N 2.98Å; N14-E17 PolarHBondContact O-N 3.41Å; N14-Q18 WeakPolarHBondContact O-CG 3.34Å; N14-Q18 PolarHBondContact O-N 2.9Å; N14-Q18 VanDerWaalsContact O-N 3.16Å |
| 15 | V | 98.5 | Very high | 97.8 | Very high | 59 Ų | 59 | 73.7 Ų | 73.7 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | Y11 L12 A13 Q18 A19 | Y11-V15 HydrophobicContact CD1-CG2 4.3Å; Y11-V15 HydrophobicContact CD2-CG2 4.48Å; Y11-V15 HydrophobicContact CE1-CG2 3.87Å; Y11-V15 HydrophobicContact CE2-CG2 4.06Å; Y11-V15 VanDerWaalsContact O-CG2 3.3Å; Y11-V15 WeakPolarHBondContact O-CG2 3.08Å; Y11-V15 PolarHBondContact O-N 3.12Å; L12-V15 PolarHBondContact O-N 2.88Å; A13-V15 PolarHBondContact O-N 3.18Å; V15-Q18 PolarHBondContact O-N 3.16Å; V15-A19 WeakPolarHBondContact O-CB 2.93Å; V15-A19 PolarHBondContact O-N 3.01Å; V15-A19 VanDerWaalsContact O-N 3.12Å |
| 16 | S | 98.5 | Very high | 98 | Very high | 11 Ų | 11 | 70.5 Ų | 70.5 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 179 | -55.9 | 0 | 0 | 0 | 0 | 112 | L12 A13 N14 A19 E20 R21 F28 | L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.16Å; L12-S16 PolarHBondContact O-OG 3.29Å; A13-S16 PolarHBondContact O-N 2.94Å; N14-S16 VanDerWaalsContact C-N 3.3Å; N14-S16 PolarHBondContact O-N 2.98Å; S16-A19 CarbonylContact O-C 3.46Å; S16-A19 PolarHBondContact O-N 3.43Å; S16-E20 PolarHBondContact O-N 3.2Å; S16-R21 WeakPolarHBondContact CB-O 3.2Å; S16-R21 PolarHBondContact O-N 3.44Å; S16-F28 VanDerWaalsContact OG-CE2 3.31Å; S16-F28 WeakPolarHBondContact OG-CE2 3.38Å |
| 17 | E | 98.2 | Very high | 98.1 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 172.5 | -175.5 | -178.2 | -173.6 | 0 | 0 | 111.3 | A13 N14 A19 E20 M25 L49 V52 | A13-E17 PolarHBondContact O-N 3.12Å; N14-E17 PolarHBondContact O-N 3.41Å; E17-A19 PolarHBondContact O-N 3.13Å; E17-E20 PolarHBondContact O-N 3.34Å; E17-M25 HydrophobicContact CB-CE 3.87Å; E17-M25 HydrophobicContact CB-SD 3.91Å; E17-M25 HydrophobicContact CG-CE 4.24Å; E17-M25 HydrophobicContact CG-SD 4.41Å; E17-L49 VanDerWaalsContact OE2-CD2 3.31Å; E17-L49 WeakPolarHBondContact OE2-CD2 3.43Å; E17-V52 HydrophobicContact CG-CG1 4.34Å |
| 18 | Q | 97.9 | Very high | 98.2 | Very high | 165 Ų | 165 | 67 Ų | 67 | 77% | 0.771 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.9 | -26 | 178 | -70.9 | 178.1 | 54.6 | 0 | 0 | 113.2 | N14 V15 | N14-Q18 WeakPolarHBondContact O-CG 3.34Å; N14-Q18 PolarHBondContact O-N 2.9Å; N14-Q18 VanDerWaalsContact O-N 3.16Å; V15-Q18 PolarHBondContact O-N 3.16Å |
| 19 | A | 98.1 | Very high | 98.2 | Very high | 61 Ų | 61 | 62.8 Ų | 62.8 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V15 S16 E17 R21 | V15-A19 WeakPolarHBondContact O-CB 2.93Å; V15-A19 PolarHBondContact O-N 3.01Å; V15-A19 VanDerWaalsContact O-N 3.12Å; S16-A19 CarbonylContact O-C 3.46Å; S16-A19 PolarHBondContact O-N 3.43Å; E17-A19 PolarHBondContact O-N 3.13Å; A19-R21 HydrophobicContact CB-CB 4.47Å; A19-R21 HydrophobicContact CB-CG 3.98Å; A19-R21 PolarHBondContact O-N 3.01Å |
| 20 | E | 97.9 | Very high | 98.2 | Very high | 145 Ų | 145 | 63.3 Ų | 63.3 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.3 | -174.4 | -56.8 | -175.3 | 165.8 | 0 | 0 | 113.4 | S16 E17 Y22 | S16-E20 PolarHBondContact O-N 3.2Å; E17-E20 PolarHBondContact O-N 3.34Å; E20-Y22 HydrophobicContact CB-CE2 3.98Å; E20-Y22 PolarHBondContact O-N 3.13Å |
| 21 | R | 98.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 68.4 Ų | 68.4 | 51% | 0.506 | 32% | 0.323 | S | S | . | . | trans | -98.4 | 69.8 | 179.6 | -70.1 | -159.6 | 73.7 | 175.7 | 15.5 | 110.8 | S16 A19 E23 E24 M25 | S16-R21 WeakPolarHBondContact CB-O 3.2Å; S16-R21 PolarHBondContact O-N 3.44Å; A19-R21 HydrophobicContact CB-CB 4.47Å; A19-R21 HydrophobicContact CB-CG 3.98Å; A19-R21 PolarHBondContact O-N 3.01Å; R21-E23 VanDerWaalsContact C-N 3.35Å; R21-E23 PolarHBondContact O-N 3.41Å; R21-E24 WeakPolarHBondContact CB-OE2 3.49Å; R21-E24 IonicContact CZ-OE1 3.97Å; R21-E24 IonicContact CZ-OE2 3.52Å; R21-E24 IonicContact NE-OE1 3.15Å; R21-E24 IonicContact NE-OE2 3.46Å; R21-E24 PolarHBondContact NE-OE2 3.44Å; R21-E24 IonicContact NH1-OE1 2.75Å; R21-E24 IonicContact NH2-OE1 3.13Å; R21-E24 PolarHBondContact NH2-OE1 3.16Å; R21-E24 IonicContact NH2-OE2 3.43Å; R21-E24 PolarHBondContact O-N 2.68Å; R21-M25 PolarHBondContact O-N 3.29Å | ||
| 22 | Y | 98.5 | Very high | 98.2 | Very high | 47 Ų | 47 | 61 Ų | 61 | 18% | 0.184 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.9 | -26.9 | -168.7 | -57.4 | -66.8 | 0 | 0 | 0 | 113.8 | E20 M25 V26 V52 N56 | E20-Y22 HydrophobicContact CB-CE2 3.98Å; E20-Y22 PolarHBondContact O-N 3.13Å; Y22-M25 HydrophobicContact CD1-SD 4.08Å; Y22-M25 WeakPolarHBondContact O-CB 3.39Å; Y22-M25 PolarHBondContact O-N 3.28Å; Y22-V26 WeakPolarHBondContact O-CG2 3.48Å; Y22-V26 PolarHBondContact O-N 2.95Å; Y22-V52 HydrophobicContact CE1-CG1 4.41Å; Y22-N56 HydrophobicContact CD1-CB 3.61Å; Y22-N56 HydrophobicContact CD2-CB 3.4Å; Y22-N56 HydrophobicContact CE1-CB 3.9Å; Y22-N56 WeakPolarHBondContact CE1-ND2 3.33Å; Y22-N56 HydrophobicContact CE2-CB 3.67Å; Y22-N56 HydrophobicContact CG-CB 3.34Å; Y22-N56 VanDerWaalsContact CZ-CG 3.46Å |
| 23 | E | 98 | Very high | 98.2 | Very high | 105 Ų | 105 | 58.6 Ų | 58.6 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 173.5 | -67.7 | 76.9 | -172.3 | 0 | 0 | 111 | R21 M25 V26 E27 V57 | R21-E23 VanDerWaalsContact C-N 3.35Å; R21-E23 PolarHBondContact O-N 3.41Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-M25 PolarHBondContact O-N 2.74Å; E23-V26 WeakPolarHBondContact O-CB 3.22Å; E23-V26 PolarHBondContact O-N 3.18Å; E23-E27 PolarHBondContact O-N 2.79Å; E23-E27 VanDerWaalsContact O-N 3.09Å; E23-V57 HydrophobicContact CG-CG2 4.32Å |
| 24 | E | 98 | Very high | 98.1 | Very high | 48 Ų | 48 | 63 Ų | 63 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 173.3 | -74.1 | 78.8 | -173.1 | 0 | 0 | 112 | R21 V26 E27 F28 | R21-E24 WeakPolarHBondContact CB-OE2 3.49Å; R21-E24 IonicContact CZ-OE1 3.97Å; R21-E24 IonicContact CZ-OE2 3.52Å; R21-E24 IonicContact NE-OE1 3.15Å; R21-E24 IonicContact NE-OE2 3.46Å; R21-E24 PolarHBondContact NE-OE2 3.44Å; R21-E24 IonicContact NH1-OE1 2.75Å; R21-E24 IonicContact NH2-OE1 3.13Å; R21-E24 PolarHBondContact NH2-OE1 3.16Å; R21-E24 IonicContact NH2-OE2 3.43Å; R21-E24 PolarHBondContact O-N 2.68Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.42Å; E24-E27 WeakPolarHBondContact O-CB 3.48Å; E24-E27 PolarHBondContact O-N 2.89Å; E24-E27 VanDerWaalsContact O-N 3.12Å; E24-F28 HydrophobicContact CB-CD2 4.47Å; E24-F28 HydrophobicContact CB-CE2 3.94Å; E24-F28 WeakPolarHBondContact O-CD2 3.46Å; E24-F28 WeakPolarHBondContact O-CG 3.48Å; E24-F28 PolarHBondContact O-N 3.17Å |
| 25 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | 175.1 | -165 | -172.6 | -179.4 | 0 | 0 | 111.3 | A13 E17 R21 Y22 E23 F28 M29 L49 V52 A53 | A13-M25 HydrophobicContact CB-CG 4.09Å; E17-M25 HydrophobicContact CB-CE 3.87Å; E17-M25 HydrophobicContact CB-SD 3.91Å; E17-M25 HydrophobicContact CG-CE 4.24Å; E17-M25 HydrophobicContact CG-SD 4.41Å; R21-M25 PolarHBondContact O-N 3.29Å; Y22-M25 HydrophobicContact CD1-SD 4.08Å; Y22-M25 WeakPolarHBondContact O-CB 3.39Å; Y22-M25 PolarHBondContact O-N 3.28Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-M25 PolarHBondContact O-N 2.74Å; M25-F28 PolarHBondContact O-N 3.2Å; M25-M29 WeakPolarHBondContact O-CB 3.26Å; M25-M29 WeakPolarHBondContact O-CG 3.49Å; M25-M29 PolarHBondContact O-N 3.07Å; M25-L49 HydrophobicContact CE-CB 3.89Å; M25-L49 HydrophobicContact CE-CD2 3.48Å; M25-L49 VanDerWaalsContact CE-CD2 3.48Å; M25-L49 HydrophobicContact CE-CG 4.31Å; M25-L49 VanDerWaalsContact CE-O 3.22Å; M25-L49 WeakPolarHBondContact CE-O 3.46Å; M25-V52 HydrophobicContact CE-CB 4.25Å; M25-V52 HydrophobicContact CE-CG1 4.18Å; M25-V52 HydrophobicContact SD-CG1 4.34Å; M25-A53 HydrophobicContact CB-CB 3.89Å; M25-A53 HydrophobicContact CE-CB 4.22Å; M25-A53 HydrophobicContact CG-CB 3.57Å; M25-A53 HydrophobicContact SD-CB 3.55Å; M25-A53 VanDerWaalsContact SD-CB 3.55Å |
| 26 | V | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 173.6 | 164.7 | 0 | 0 | 0 | 0 | 110.5 | Y22 E23 E24 F28 M29 Q30 A53 Y54 V57 | Y22-V26 WeakPolarHBondContact O-CG2 3.48Å; Y22-V26 PolarHBondContact O-N 2.95Å; E23-V26 WeakPolarHBondContact O-CB 3.22Å; E23-V26 PolarHBondContact O-N 3.18Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.42Å; V26-F28 PolarHBondContact O-N 3Å; V26-M29 PolarHBondContact O-N 3.44Å; V26-Q30 HydrophobicContact CG1-CG 4.26Å; V26-Q30 VanDerWaalsContact CG1-NE2 3.26Å; V26-Q30 WeakPolarHBondContact O-CB 3.49Å; V26-Q30 VanDerWaalsContact O-CG 3.23Å; V26-Q30 WeakPolarHBondContact O-CG 3.43Å; V26-Q30 PolarHBondContact O-N 3.14Å; V26-A53 HydrophobicContact CG2-CB 3.73Å; V26-Y54 HydrophobicContact CB-CE2 4.42Å; V26-Y54 HydrophobicContact CG1-CD2 4.43Å; V26-Y54 HydrophobicContact CG1-CE1 3.95Å; V26-Y54 HydrophobicContact CG1-CE2 3.78Å; V26-Y54 HydrophobicContact CG2-CD1 4.22Å; V26-Y54 HydrophobicContact CG2-CD2 3.91Å; V26-Y54 HydrophobicContact CG2-CE1 4.39Å; V26-Y54 HydrophobicContact CG2-CE2 4.09Å; V26-Y54 HydrophobicContact CG2-CG 3.99Å; V26-V57 HydrophobicContact CG2-CG2 4Å |
| 27 | E | 98.1 | Very high | 97.5 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 179.1 | -68.4 | -178.2 | -171.7 | 0 | 0 | 112.3 | E23 E24 Q30 K31 | E23-E27 PolarHBondContact O-N 2.79Å; E23-E27 VanDerWaalsContact O-N 3.09Å; E24-E27 WeakPolarHBondContact O-CB 3.48Å; E24-E27 PolarHBondContact O-N 2.89Å; E24-E27 VanDerWaalsContact O-N 3.12Å; E27-Q30 PolarHBondContact O-N 2.95Å; E27-K31 WeakPolarHBondContact O-CG 3.39Å; E27-K31 PolarHBondContact O-N 3.39Å |
| 28 | F | 98.3 | Very high | 97 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 178.4 | -61.6 | -45.9 | 0 | 0 | 0 | 112 | Y9 L12 A13 S16 E24 M25 V26 Q30 K31 V32 | Y9-F28 HydrophobicContact CD1-CB 4.4Å; Y9-F28 AromaticContact CD1-CD1 3.84Å; Y9-F28 HydrophobicContact CD1-CD1 3.84Å; Y9-F28 HydrophobicContact CE1-CD1 4.31Å; L12-F28 HydrophobicContact CB-CD1 4.13Å; L12-F28 HydrophobicContact CB-CD2 3.65Å; L12-F28 HydrophobicContact CB-CE1 4.16Å; L12-F28 HydrophobicContact CB-CE2 3.69Å; L12-F28 HydrophobicContact CB-CG 3.89Å; L12-F28 HydrophobicContact CB-CZ 3.94Å; L12-F28 HydrophobicContact CD1-CD1 4.1Å; L12-F28 HydrophobicContact CD1-CE1 3.63Å; L12-F28 HydrophobicContact CD1-CE2 4.41Å; L12-F28 HydrophobicContact CD1-CZ 3.81Å; L12-F28 HydrophobicContact CG-CZ 4.42Å; A13-F28 HydrophobicContact CB-CB 4.27Å; S16-F28 VanDerWaalsContact OG-CE2 3.31Å; S16-F28 WeakPolarHBondContact OG-CE2 3.38Å; E24-F28 HydrophobicContact CB-CD2 4.47Å; E24-F28 HydrophobicContact CB-CE2 3.94Å; E24-F28 WeakPolarHBondContact O-CD2 3.46Å; E24-F28 WeakPolarHBondContact O-CG 3.48Å; E24-F28 PolarHBondContact O-N 3.17Å; M25-F28 PolarHBondContact O-N 3.2Å; V26-F28 PolarHBondContact O-N 3Å; F28-Q30 VanDerWaalsContact C-N 3.31Å; F28-Q30 PolarHBondContact O-N 3.18Å; F28-K31 WeakPolarHBondContact O-CB 3.41Å; F28-K31 PolarHBondContact O-N 3.09Å; F28-K31 VanDerWaalsContact O-N 3.1Å; F28-V32 PolarHBondContact O-N 3.19Å; F28-V32 VanDerWaalsContact O-N 3.13Å |
| 29 | M | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -32.5 | 178.8 | -69.3 | -51.9 | -55.1 | 0 | 0 | 112.4 | A13 M25 V26 K31 V32 V33 E46 L49 L50 | A13-M29 HydrophobicContact CB-CG 3.91Å; A13-M29 HydrophobicContact CB-SD 3.59Å; A13-M29 VanDerWaalsContact CB-SD 3.59Å; M25-M29 WeakPolarHBondContact O-CB 3.26Å; M25-M29 WeakPolarHBondContact O-CG 3.49Å; M25-M29 PolarHBondContact O-N 3.07Å; V26-M29 PolarHBondContact O-N 3.44Å; M29-K31 VanDerWaalsContact C-N 3.31Å; M29-K31 PolarHBondContact O-N 3.4Å; M29-V32 HydrophobicContact CE-CB 4.26Å; M29-V32 HydrophobicContact CE-CG1 4.27Å; M29-V32 WeakPolarHBondContact O-CB 3.24Å; M29-V32 PolarHBondContact O-N 3.45Å; M29-V32 HydrophobicContact SD-CG2 4.4Å; M29-V33 VanDerWaalsContact O-CG2 3.31Å; M29-V33 WeakPolarHBondContact O-CG2 3.47Å; M29-V33 PolarHBondContact O-N 3.43Å; M29-E46 HydrophobicContact CE-CB 4.19Å; M29-E46 WeakPolarHBondContact CE-O 3.45Å; M29-L49 HydrophobicContact CE-CB 4.21Å; M29-L49 HydrophobicContact CG-CB 4.43Å; M29-L49 HydrophobicContact SD-CB 3.93Å; M29-L49 HydrophobicContact SD-CD1 4.49Å; M29-L50 HydrophobicContact CB-CB 4.45Å; M29-L50 HydrophobicContact CB-CD1 3.75Å; M29-L50 HydrophobicContact CE-CB 4.09Å |
| 30 | Q | 98 | Very high | 96.6 | Very high | 56 Ų | 56 | 59 Ų | 59 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 170.5 | -75 | 177.8 | 10.5 | 0 | 0 | 112.2 | V26 E27 F28 V32 V33 V34 Y54 T104 L108 | V26-Q30 HydrophobicContact CG1-CG 4.26Å; V26-Q30 VanDerWaalsContact CG1-NE2 3.26Å; V26-Q30 WeakPolarHBondContact O-CB 3.49Å; V26-Q30 VanDerWaalsContact O-CG 3.23Å; V26-Q30 WeakPolarHBondContact O-CG 3.43Å; V26-Q30 PolarHBondContact O-N 3.14Å; E27-Q30 PolarHBondContact O-N 2.95Å; F28-Q30 VanDerWaalsContact C-N 3.31Å; F28-Q30 PolarHBondContact O-N 3.18Å; Q30-V32 VanDerWaalsContact C-N 3.33Å; Q30-V33 PolarHBondContact O-N 3.18Å; Q30-V34 WeakPolarHBondContact O-CB 3.43Å; Q30-V34 WeakPolarHBondContact O-CG2 3.47Å; Q30-V34 PolarHBondContact O-N 3.3Å; Q30-Y54 PolarHBondContact NE2-OH 2.96Å; Q30-T104 VanDerWaalsContact NE2-CG2 3.29Å; Q30-L108 HydrophobicContact CG-CD1 3.86Å |
| 31 | K | 97.6 | Very high | 96.5 | Very high | 122 Ų | 122 | 54.2 Ų | 54.2 | 53% | 0.53 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.3 | -60.4 | -60.6 | 178.6 | -173 | 0 | 111.7 | Y9 E27 F28 M29 G35 | Y9-K31 HydrophobicContact CD1-CB 3.95Å; Y9-K31 HydrophobicContact CD1-CG 4.23Å; Y9-K31 HydrophobicContact CD2-CB 3.76Å; Y9-K31 HydrophobicContact CE1-CB 3.8Å; Y9-K31 HydrophobicContact CE1-CG 3.73Å; Y9-K31 HydrophobicContact CE2-CB 3.61Å; Y9-K31 HydrophobicContact CE2-CG 4.26Å; Y9-K31 HydrophobicContact CG-CB 3.94Å; E27-K31 WeakPolarHBondContact O-CG 3.39Å; E27-K31 PolarHBondContact O-N 3.39Å; F28-K31 WeakPolarHBondContact O-CB 3.41Å; F28-K31 PolarHBondContact O-N 3.09Å; F28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.31Å; M29-K31 PolarHBondContact O-N 3.4Å; K31-G35 WeakPolarHBondContact O-CA 3.39Å; K31-G35 PolarHBondContact O-N 2.7Å |
| 32 | V | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 174 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | R6 Y9 V10 F28 M29 Q30 S36 L42 | R6-V32 HydrophobicContact CG-CG1 4.11Å; Y9-V32 HydrophobicContact CG-CG2 4.5Å; V10-V32 HydrophobicContact CG2-CG1 4.41Å; V10-V32 HydrophobicContact CG2-CG2 3.84Å; F28-V32 PolarHBondContact O-N 3.19Å; F28-V32 VanDerWaalsContact O-N 3.13Å; M29-V32 HydrophobicContact CE-CB 4.26Å; M29-V32 HydrophobicContact CE-CG1 4.27Å; M29-V32 WeakPolarHBondContact O-CB 3.24Å; M29-V32 PolarHBondContact O-N 3.45Å; M29-V32 HydrophobicContact SD-CG2 4.4Å; Q30-V32 VanDerWaalsContact C-N 3.33Å; V32-S36 WeakPolarHBondContact O-CB 3.47Å; V32-S36 PolarHBondContact O-N 2.88Å; V32-S36 VanDerWaalsContact O-N 3.14Å; V32-S36 PolarHBondContact O-OG 3.03Å; V32-L42 HydrophobicContact CG1-CD2 3.88Å |
| 33 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -58.5 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | M29 Q30 G35 S36 T37 L42 L50 L108 N112 L113 | M29-V33 VanDerWaalsContact O-CG2 3.31Å; M29-V33 WeakPolarHBondContact O-CG2 3.47Å; M29-V33 PolarHBondContact O-N 3.43Å; Q30-V33 PolarHBondContact O-N 3.18Å; V33-G35 VanDerWaalsContact C-N 3.29Å; V33-G35 PolarHBondContact O-N 2.89Å; V33-S36 PolarHBondContact O-N 3.26Å; V33-T37 HydrophobicContact CG1-CG2 4.36Å; V33-T37 WeakPolarHBondContact O-CB 3.46Å; V33-T37 WeakPolarHBondContact O-CG2 3.41Å; V33-T37 PolarHBondContact O-N 3.13Å; V33-T37 PolarHBondContact O-OG1 2.57Å; V33-L42 HydrophobicContact CG2-CD1 4.07Å; V33-L50 HydrophobicContact CG2-CD1 4.21Å; V33-L50 HydrophobicContact CG2-CD2 4.14Å; V33-L108 HydrophobicContact CG1-CB 4.44Å; V33-L108 HydrophobicContact CG1-CD2 3.94Å; V33-N112 HydrophobicContact CG1-CB 3.65Å; V33-L113 HydrophobicContact CG1-CD2 3.94Å; V33-L113 HydrophobicContact CG1-CG 4.1Å; V33-L113 HydrophobicContact CG2-CD2 3.98Å |
| 34 | V | 96.5 | Very high | 96.3 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 56% | 0.564 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.3 | -33.9 | -175.7 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | Q30 S36 L108 | Q30-V34 WeakPolarHBondContact O-CB 3.43Å; Q30-V34 WeakPolarHBondContact O-CG2 3.47Å; Q30-V34 PolarHBondContact O-N 3.3Å; V34-S36 VanDerWaalsContact C-N 3.35Å; V34-L108 HydrophobicContact CG2-CD2 3.8Å |
| 35 | G | 95.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -77 | -17.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K31 V33 | K31-G35 WeakPolarHBondContact O-CA 3.39Å; K31-G35 PolarHBondContact O-N 2.7Å; V33-G35 VanDerWaalsContact C-N 3.29Å; V33-G35 PolarHBondContact O-N 2.89Å |
| 36 | S | 93.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 52 Ų | 52 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -122.6 | -25.9 | -169.4 | -49.4 | 0 | 0 | 0 | 0 | 114.5 | R6 V32 V33 V34 A39 S40 | R6-S36 WeakPolarHBondContact CD-OG 3.26Å; R6-S36 VanDerWaalsContact NH1-CB 3.32Å; R6-S36 PolarHBondContact NH1-OG 3.07Å; V32-S36 WeakPolarHBondContact O-CB 3.47Å; V32-S36 PolarHBondContact O-N 2.88Å; V32-S36 VanDerWaalsContact O-N 3.14Å; V32-S36 PolarHBondContact O-OG 3.03Å; V33-S36 PolarHBondContact O-N 3.26Å; V34-S36 VanDerWaalsContact C-N 3.35Å; S36-A39 PolarHBondContact O-N 2.97Å; S36-S40 WeakPolarHBondContact CB-OG 3.46Å; S36-S40 PolarHBondContact O-N 3.34Å; S36-S40 PolarHBondContact O-OG 2.87Å |
| 37 | T | 94.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 152 | -174.8 | 68.6 | 0 | 0 | 0 | 0 | 109.8 | V33 A39 S40 L42 N112 | V33-T37 HydrophobicContact CG1-CG2 4.36Å; V33-T37 WeakPolarHBondContact O-CB 3.46Å; V33-T37 WeakPolarHBondContact O-CG2 3.41Å; V33-T37 PolarHBondContact O-N 3.13Å; V33-T37 PolarHBondContact O-OG1 2.57Å; T37-A39 VanDerWaalsContact C-N 3.29Å; T37-S40 WeakPolarHBondContact CG2-O 3.45Å; T37-L42 HydrophobicContact CG2-CD2 4.18Å; T37-L42 HydrophobicContact CG2-CG 4.46Å; T37-N112 PolarHBondContact O-ND2 3.08Å; T37-N112 WeakPolarHBondContact OG1-CB 3.36Å; T37-N112 PolarHBondContact OG1-ND2 3.43Å |
| 38 | P | 88.2 | Confident | 96.1 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.9 | 4.5 | 3 | 34.5 | -36.9 | 0 | 0 | 0 | 114.3 | S40 P115 | P38-S40 VanDerWaalsContact C-N 3.31Å; P38-S40 PolarHBondContact O-N 2.94Å; P38-P115 HydrophobicContact CB-CB 4.13Å |
| 39 | A | 92.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 86% | 0.86 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -30.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S36 T37 | S36-A39 PolarHBondContact O-N 2.97Å; T37-A39 VanDerWaalsContact C-N 3.29Å |
| 40 | S | 94.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -136.1 | 149 | 175.1 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | R6 S36 T37 P38 | R6-S40 PolarHBondContact NH1-OG 3.48Å; S36-S40 WeakPolarHBondContact CB-OG 3.46Å; S36-S40 PolarHBondContact O-N 3.34Å; S36-S40 PolarHBondContact O-OG 2.87Å; T37-S40 WeakPolarHBondContact CG2-O 3.45Å; P38-S40 VanDerWaalsContact C-N 3.31Å; P38-S40 PolarHBondContact O-N 2.94Å |
| 41 | E | 96.2 | Very high | 96.1 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 152.6 | 172.2 | -161.8 | 168.9 | 167.2 | 0 | 0 | 110.3 | R6 S118 S122 | R6-E41 PolarHBondContact NH2-O 3.17Å; R6-E41 VanDerWaalsContact NH2-O 3.08Å; E41-S118 WeakPolarHBondContact OE2-CB 3.49Å; E41-S118 PolarHBondContact OE2-N 3.31Å; E41-S118 PolarHBondContact OE2-OG 3.07Å; E41-S122 WeakPolarHBondContact OE1-CB 3.44Å; E41-S122 PolarHBondContact OE1-OG 3.17Å |
| 42 | L | 97.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 147.7 | 167.4 | -62.9 | -170.8 | 0 | 0 | 0 | 110.4 | V32 V33 T37 E46 R47 L50 L113 | V32-L42 HydrophobicContact CG1-CD2 3.88Å; V33-L42 HydrophobicContact CG2-CD1 4.07Å; T37-L42 HydrophobicContact CG2-CD2 4.18Å; T37-L42 HydrophobicContact CG2-CG 4.46Å; L42-E46 WeakPolarHBondContact CA-OE2 3.31Å; L42-E46 HydrophobicContact CB-CB 4.08Å; L42-E46 HydrophobicContact CD1-CB 4.46Å; L42-E46 HydrophobicContact CD2-CB 4.39Å; L42-R47 HydrophobicContact CB-CB 4.42Å; L42-L50 HydrophobicContact CD1-CD2 4.25Å; L42-L113 HydrophobicContact CD1-CD2 3.66Å; L42-L113 HydrophobicContact CG-CD2 4.07Å |
| 43 | T | 97.2 | Very high | 96.2 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 165 | 166.7 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | E45 E46 R47 | T43-E45 VanDerWaalsContact C-N 3.25Å; T43-E45 PolarHBondContact O-N 3.09Å; T43-E46 PolarHBondContact N-OE2 3.43Å; T43-E46 PolarHBondContact O-N 3.1Å; T43-E46 WeakPolarHBondContact OG1-CG 3.38Å; T43-E46 PolarHBondContact OG1-N 3.49Å; T43-E46 PolarHBondContact OG1-OE2 3.22Å; T43-R47 VanDerWaalsContact O-CB 3.29Å; T43-R47 WeakPolarHBondContact O-CB 3.45Å; T43-R47 PolarHBondContact O-N 2.97Å |
| 44 | V | 95.8 | Very high | 96.3 | Very high | 80 Ų | 80 | 43.5 Ų | 43.5 | 49% | 0.485 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.5 | -41.9 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | N48 | V44-N48 WeakPolarHBondContact O-CB 3.19Å; V44-N48 PolarHBondContact O-N 3.17Å; V44-N48 PolarHBondContact O-ND2 3.36Å; V44-N48 PolarHBondContact O-OD1 3.23Å |
| 45 | E | 96.6 | Very high | 96.3 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 177.5 | -174.9 | -177.7 | 171.2 | 0 | 0 | 111.6 | T43 R47 N48 L49 | T43-E45 VanDerWaalsContact C-N 3.25Å; T43-E45 PolarHBondContact O-N 3.09Å; E45-R47 PolarHBondContact O-N 3Å; E45-N48 PolarHBondContact O-N 3.43Å; E45-L49 HydrophobicContact CG-CD1 4.33Å; E45-L49 WeakPolarHBondContact O-CG 3.07Å; E45-L49 PolarHBondContact O-N 3.26Å |
| 46 | E | 98.2 | Very high | 96.5 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 179.8 | -69.1 | 170.4 | 148.6 | 0 | 0 | 112.3 | R6 V10 M29 L42 T43 N48 L49 L50 | R6-E46 IonicContact CZ-OE1 3.42Å; R6-E46 IonicContact CZ-OE2 2.66Å; R6-E46 IonicContact NE-OE1 2.81Å; R6-E46 PolarHBondContact NE-OE1 3.45Å; R6-E46 IonicContact NE-OE2 3.48Å; R6-E46 IonicContact NH2-OE1 2.74Å; R6-E46 PolarHBondContact NH2-OE1 2.85Å; R6-E46 IonicContact NH2-OE2 3.57Å; R6-E46 PolarHBondContact NH2-OE2 3.2Å; V10-E46 HydrophobicContact CG2-CG 3.82Å; M29-E46 HydrophobicContact CE-CB 4.19Å; M29-E46 WeakPolarHBondContact CE-O 3.45Å; L42-E46 WeakPolarHBondContact CA-OE2 3.31Å; L42-E46 HydrophobicContact CB-CB 4.08Å; L42-E46 HydrophobicContact CD1-CB 4.46Å; L42-E46 HydrophobicContact CD2-CB 4.39Å; T43-E46 PolarHBondContact N-OE2 3.43Å; T43-E46 PolarHBondContact O-N 3.1Å; T43-E46 WeakPolarHBondContact OG1-CG 3.38Å; T43-E46 PolarHBondContact OG1-N 3.49Å; T43-E46 PolarHBondContact OG1-OE2 3.22Å; E46-N48 VanDerWaalsContact C-N 3.31Å; E46-N48 PolarHBondContact O-N 3.32Å; E46-L49 PolarHBondContact O-N 2.88Å; E46-L50 WeakPolarHBondContact O-CB 3.48Å; E46-L50 PolarHBondContact O-N 3.31Å |
| 47 | R | 97.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.5 | -179.6 | -165.6 | 71.3 | -164.9 | 4.6 | 111.2 | L42 T43 E45 S51 E121 F125 Y126 | L42-R47 HydrophobicContact CB-CB 4.42Å; T43-R47 VanDerWaalsContact O-CB 3.29Å; T43-R47 WeakPolarHBondContact O-CB 3.45Å; T43-R47 PolarHBondContact O-N 2.97Å; E45-R47 PolarHBondContact O-N 3Å; R47-S51 WeakPolarHBondContact O-CB 3.47Å; R47-S51 PolarHBondContact O-N 3.44Å; R47-E121 IonicContact CZ-OE1 3.24Å; R47-E121 VanDerWaalsContact CZ-OE1 3.24Å; R47-E121 IonicContact NH1-OE1 2.77Å; R47-E121 PolarHBondContact NH1-OE1 2.98Å; R47-E121 IonicContact NH2-OE1 2.7Å; R47-E121 PolarHBondContact NH2-OE1 3.05Å; R47-F125 HydrophobicContact CG-CD1 3.65Å; R47-F125 HydrophobicContact CG-CE1 3.4Å; R47-F125 VanDerWaalsContact CG-CE1 3.4Å; R47-F125 HydrophobicContact CG-CE2 4.31Å; R47-F125 HydrophobicContact CG-CG 4.21Å; R47-F125 HydrophobicContact CG-CZ 3.74Å; R47-Y126 HydrophobicContact CG-CE1 3.89Å |
| 48 | N | 96.7 | Very high | 97 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 178.1 | -70.5 | -10.2 | 0 | 0 | 0 | 111.1 | V44 E45 E46 L50 S51 V52 | V44-N48 WeakPolarHBondContact O-CB 3.19Å; V44-N48 PolarHBondContact O-N 3.17Å; V44-N48 PolarHBondContact O-ND2 3.36Å; V44-N48 PolarHBondContact O-OD1 3.23Å; E45-N48 PolarHBondContact O-N 3.43Å; E46-N48 VanDerWaalsContact C-N 3.31Å; E46-N48 PolarHBondContact O-N 3.32Å; N48-L50 PolarHBondContact O-N 2.69Å; N48-S51 WeakPolarHBondContact O-CB 3.23Å; N48-S51 PolarHBondContact O-N 2.88Å; N48-V52 WeakPolarHBondContact O-CG2 3.39Å; N48-V52 PolarHBondContact O-N 3.43Å |
| 49 | L | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 174.4 | -72 | 169.1 | 0 | 0 | 0 | 111.8 | V10 E17 M25 M29 E45 E46 S51 V52 A53 | V10-L49 HydrophobicContact CG1-CD1 3.88Å; E17-L49 VanDerWaalsContact OE2-CD2 3.31Å; E17-L49 WeakPolarHBondContact OE2-CD2 3.43Å; M25-L49 HydrophobicContact CE-CB 3.89Å; M25-L49 HydrophobicContact CE-CD2 3.48Å; M25-L49 VanDerWaalsContact CE-CD2 3.48Å; M25-L49 HydrophobicContact CE-CG 4.31Å; M25-L49 VanDerWaalsContact CE-O 3.22Å; M25-L49 WeakPolarHBondContact CE-O 3.46Å; M29-L49 HydrophobicContact CE-CB 4.21Å; M29-L49 HydrophobicContact CG-CB 4.43Å; M29-L49 HydrophobicContact SD-CB 3.93Å; M29-L49 HydrophobicContact SD-CD1 4.49Å; E45-L49 HydrophobicContact CG-CD1 4.33Å; E45-L49 WeakPolarHBondContact O-CG 3.07Å; E45-L49 PolarHBondContact O-N 3.26Å; E46-L49 PolarHBondContact O-N 2.88Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 3.21Å; L49-V52 PolarHBondContact O-N 3.12Å; L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 2.95Å |
| 50 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 175.5 | 179.1 | 72.7 | 0 | 0 | 0 | 111.2 | M29 V33 L42 E46 N48 A53 Y54 L113 | M29-L50 HydrophobicContact CB-CB 4.45Å; M29-L50 HydrophobicContact CB-CD1 3.75Å; M29-L50 HydrophobicContact CE-CB 4.09Å; V33-L50 HydrophobicContact CG2-CD1 4.21Å; V33-L50 HydrophobicContact CG2-CD2 4.14Å; L42-L50 HydrophobicContact CD1-CD2 4.25Å; E46-L50 WeakPolarHBondContact O-CB 3.48Å; E46-L50 PolarHBondContact O-N 3.31Å; N48-L50 PolarHBondContact O-N 2.69Å; L50-A53 PolarHBondContact O-N 2.96Å; L50-Y54 HydrophobicContact CD1-CD2 3.68Å; L50-Y54 HydrophobicContact CD1-CE2 3.56Å; L50-Y54 HydrophobicContact CG-CD2 4.22Å; L50-Y54 WeakPolarHBondContact O-CD2 3.31Å; L50-Y54 PolarHBondContact O-N 3.45Å; L50-Y54 VanDerWaalsContact O-N 3.15Å; L50-L113 HydrophobicContact CD2-CD1 3.59Å; L50-L113 HydrophobicContact CD2-CD2 4.16Å |
| 51 | S | 98.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 179.4 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | R47 N48 L49 A53 K55 | R47-S51 WeakPolarHBondContact O-CB 3.47Å; R47-S51 PolarHBondContact O-N 3.44Å; N48-S51 WeakPolarHBondContact O-CB 3.23Å; N48-S51 PolarHBondContact O-N 2.88Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 3.21Å; S51-A53 PolarHBondContact O-N 3.42Å; S51-K55 WeakPolarHBondContact O-CB 3.28Å; S51-K55 PolarHBondContact O-N 3.05Å |
| 52 | V | 98.4 | Very high | 98 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 177 | 169.2 | 0 | 0 | 0 | 0 | 111 | E17 Y22 M25 N48 L49 K55 N56 | E17-V52 HydrophobicContact CG-CG1 4.34Å; Y22-V52 HydrophobicContact CE1-CG1 4.41Å; M25-V52 HydrophobicContact CE-CB 4.25Å; M25-V52 HydrophobicContact CE-CG1 4.18Å; M25-V52 HydrophobicContact SD-CG1 4.34Å; N48-V52 WeakPolarHBondContact O-CG2 3.39Å; N48-V52 PolarHBondContact O-N 3.43Å; L49-V52 PolarHBondContact O-N 3.12Å; V52-K55 PolarHBondContact O-N 2.92Å; V52-N56 PolarHBondContact O-N 3.12Å; V52-N56 VanDerWaalsContact O-N 3.1Å; V52-N56 PolarHBondContact O-ND2 3.38Å |
| 53 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -57.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M25 V26 L49 L50 S51 K55 N56 V57 | M25-A53 HydrophobicContact CB-CB 3.89Å; M25-A53 HydrophobicContact CE-CB 4.22Å; M25-A53 HydrophobicContact CG-CB 3.57Å; M25-A53 HydrophobicContact SD-CB 3.55Å; M25-A53 VanDerWaalsContact SD-CB 3.55Å; V26-A53 HydrophobicContact CG2-CB 3.73Å; L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 2.95Å; L50-A53 PolarHBondContact O-N 2.96Å; S51-A53 PolarHBondContact O-N 3.42Å; A53-K55 PolarHBondContact O-N 3.09Å; A53-N56 PolarHBondContact O-N 3.22Å; A53-V57 WeakPolarHBondContact O-CG2 3.49Å; A53-V57 PolarHBondContact O-N 2.89Å |
| 54 | Y | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | -176.8 | -89.2 | -82 | 0 | 0 | 0 | 112.7 | V26 Q30 L50 N56 V57 I58 V101 I105 L108 Y133 | V26-Y54 HydrophobicContact CB-CE2 4.42Å; V26-Y54 HydrophobicContact CG1-CD2 4.43Å; V26-Y54 HydrophobicContact CG1-CE1 3.95Å; V26-Y54 HydrophobicContact CG1-CE2 3.78Å; V26-Y54 HydrophobicContact CG2-CD1 4.22Å; V26-Y54 HydrophobicContact CG2-CD2 3.91Å; V26-Y54 HydrophobicContact CG2-CE1 4.39Å; V26-Y54 HydrophobicContact CG2-CE2 4.09Å; V26-Y54 HydrophobicContact CG2-CG 3.99Å; Q30-Y54 PolarHBondContact NE2-OH 2.96Å; L50-Y54 HydrophobicContact CD1-CD2 3.68Å; L50-Y54 HydrophobicContact CD1-CE2 3.56Å; L50-Y54 HydrophobicContact CG-CD2 4.22Å; L50-Y54 WeakPolarHBondContact O-CD2 3.31Å; L50-Y54 PolarHBondContact O-N 3.45Å; L50-Y54 VanDerWaalsContact O-N 3.15Å; Y54-N56 VanDerWaalsContact C-N 3.34Å; Y54-N56 PolarHBondContact O-N 2.93Å; Y54-V57 PolarHBondContact O-N 3.39Å; Y54-I58 WeakPolarHBondContact O-CB 3.41Å; Y54-I58 VanDerWaalsContact O-CG2 3.28Å; Y54-I58 WeakPolarHBondContact O-CG2 3.43Å; Y54-I58 PolarHBondContact O-N 2.7Å; Y54-V101 HydrophobicContact CD1-CG1 4.03Å; Y54-V101 HydrophobicContact CE1-CG1 4.27Å; Y54-I105 HydrophobicContact CD1-CB 3.87Å; Y54-I105 HydrophobicContact CD1-CD1 4.5Å; Y54-I105 HydrophobicContact CD1-CG1 4.27Å; Y54-I105 HydrophobicContact CD1-CG2 4.39Å; Y54-I105 HydrophobicContact CD2-CD1 4.01Å; Y54-I105 HydrophobicContact CE1-CB 3.61Å; Y54-I105 HydrophobicContact CE1-CD1 4.38Å; Y54-I105 HydrophobicContact CE1-CG1 4.32Å; Y54-I105 HydrophobicContact CE1-CG2 4.38Å; Y54-I105 HydrophobicContact CE2-CD1 3.88Å; Y54-I105 HydrophobicContact CG-CB 4.47Å; Y54-I105 HydrophobicContact CG-CD1 4.3Å; Y54-I105 HydrophobicContact CG-CG1 4.39Å; Y54-L108 WeakPolarHBondContact OH-CD1 3.25Å; Y54-Y133 VanDerWaalsContact CB-OH 3.31Å; Y54-Y133 WeakPolarHBondContact CB-OH 3.4Å; Y54-Y133 PolarHBondContact O-OH 3.18Å |
| 55 | K | 98.2 | Very high | 98.3 | Very high | 140 Ų | 140 | 38.2 Ų | 38.2 | 61% | 0.609 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60.7 | -40.9 | 177.6 | -178.9 | -176.5 | 176.6 | -173.2 | 0 | 112 | S51 V52 A53 G59 | S51-K55 WeakPolarHBondContact O-CB 3.28Å; S51-K55 PolarHBondContact O-N 3.05Å; V52-K55 PolarHBondContact O-N 2.92Å; A53-K55 PolarHBondContact O-N 3.09Å; K55-G59 WeakPolarHBondContact O-CA 3.3Å; K55-G59 PolarHBondContact O-N 2.89Å |
| 56 | N | 98.5 | Very high | 98.3 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.5 | -45.4 | 179.7 | -79.7 | -71 | 0 | 0 | 0 | 111.9 | Y22 V52 A53 Y54 G59 S60 | Y22-N56 HydrophobicContact CD1-CB 3.61Å; Y22-N56 HydrophobicContact CD2-CB 3.4Å; Y22-N56 HydrophobicContact CE1-CB 3.9Å; Y22-N56 WeakPolarHBondContact CE1-ND2 3.33Å; Y22-N56 HydrophobicContact CE2-CB 3.67Å; Y22-N56 HydrophobicContact CG-CB 3.34Å; Y22-N56 VanDerWaalsContact CZ-CG 3.46Å; V52-N56 PolarHBondContact O-N 3.12Å; V52-N56 VanDerWaalsContact O-N 3.1Å; V52-N56 PolarHBondContact O-ND2 3.38Å; A53-N56 PolarHBondContact O-N 3.22Å; Y54-N56 VanDerWaalsContact C-N 3.34Å; Y54-N56 PolarHBondContact O-N 2.93Å; N56-G59 PolarHBondContact O-N 3.41Å; N56-S60 PolarHBondContact O-N 3.39Å |
| 57 | V | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -53.1 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | E23 V26 A53 Y54 G59 S60 L61 V101 | E23-V57 HydrophobicContact CG-CG2 4.32Å; V26-V57 HydrophobicContact CG2-CG2 4Å; A53-V57 WeakPolarHBondContact O-CG2 3.49Å; A53-V57 PolarHBondContact O-N 2.89Å; Y54-V57 PolarHBondContact O-N 3.39Å; V57-G59 VanDerWaalsContact C-N 3.3Å; V57-G59 PolarHBondContact O-N 3.43Å; V57-S60 PolarHBondContact O-N 3.28Å; V57-L61 HydrophobicContact CG1-CD1 4.21Å; V57-L61 WeakPolarHBondContact O-CG 3.38Å; V57-L61 PolarHBondContact O-N 3.4Å; V57-V101 HydrophobicContact CG1-CG1 4.3Å; V57-V101 HydrophobicContact CG1-CG2 3.97Å |
| 58 | I | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.9 | -32.5 | -179 | -157.4 | 75.3 | 0 | 0 | 0 | 111.9 | Y54 L61 R62 L98 V101 Y133 Y136 | Y54-I58 WeakPolarHBondContact O-CB 3.41Å; Y54-I58 VanDerWaalsContact O-CG2 3.28Å; Y54-I58 WeakPolarHBondContact O-CG2 3.43Å; Y54-I58 PolarHBondContact O-N 2.7Å; I58-L61 PolarHBondContact O-N 3.34Å; I58-R62 HydrophobicContact CG1-CG 4.32Å; I58-R62 VanDerWaalsContact O-CB 3.28Å; I58-R62 WeakPolarHBondContact O-CB 3.27Å; I58-R62 VanDerWaalsContact O-CG 3.23Å; I58-R62 WeakPolarHBondContact O-CG 3.26Å; I58-R62 PolarHBondContact O-N 3.45Å; I58-L98 HydrophobicContact CD1-CD2 3.55Å; I58-L98 HydrophobicContact CG1-CD2 4.14Å; I58-V101 HydrophobicContact CB-CG1 4.42Å; I58-V101 HydrophobicContact CD1-CB 3.95Å; I58-V101 HydrophobicContact CD1-CG1 3.72Å; I58-Y133 HydrophobicContact CB-CE1 3.96Å; I58-Y133 HydrophobicContact CD1-CD1 4.47Å; I58-Y133 HydrophobicContact CD1-CE1 4.11Å; I58-Y133 HydrophobicContact CG1-CD1 4.45Å; I58-Y133 HydrophobicContact CG1-CE1 3.86Å; I58-Y133 HydrophobicContact CG2-CE1 4.03Å; I58-Y136 HydrophobicContact CG1-CD2 3.77Å; I58-Y136 HydrophobicContact CG1-CE2 4.21Å; I58-Y136 HydrophobicContact CG2-CD2 4.32Å; I58-Y136 HydrophobicContact CG2-CE2 3.89Å |
| 59 | G | 98.3 | Very high | 98.5 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K55 N56 V57 R62 A63 | K55-G59 WeakPolarHBondContact O-CA 3.3Å; K55-G59 PolarHBondContact O-N 2.89Å; N56-G59 PolarHBondContact O-N 3.41Å; V57-G59 VanDerWaalsContact C-N 3.3Å; V57-G59 PolarHBondContact O-N 3.43Å; G59-R62 PolarHBondContact O-N 3.26Å; G59-A63 WeakPolarHBondContact O-CB 3.18Å; G59-A63 PolarHBondContact O-N 2.91Å |
| 60 | S | 98.3 | Very high | 98.4 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 56% | 0.559 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.7 | -48.7 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | N56 V57 R62 A63 A64 | N56-S60 PolarHBondContact O-N 3.39Å; V57-S60 PolarHBondContact O-N 3.28Å; S60-R62 PolarHBondContact O-N 3Å; S60-A63 PolarHBondContact O-N 3.49Å; S60-A64 PolarHBondContact O-N 3.21Å |
| 61 | L | 98.6 | Very high | 98.4 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.6 | -71 | 172.3 | 0 | 0 | 0 | 112.5 | V57 I58 A63 A64 W65 E97 L98 V101 | V57-L61 HydrophobicContact CG1-CD1 4.21Å; V57-L61 WeakPolarHBondContact O-CG 3.38Å; V57-L61 PolarHBondContact O-N 3.4Å; I58-L61 PolarHBondContact O-N 3.34Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.04Å; L61-A64 PolarHBondContact O-N 3.44Å; L61-W65 WeakPolarHBondContact O-CB 3.49Å; L61-W65 PolarHBondContact O-N 3.44Å; L61-E97 HydrophobicContact CD1-CB 4.35Å; L61-E97 HydrophobicContact CD2-CB 3.94Å; L61-E97 WeakPolarHBondContact CD2-OE2 3.38Å; L61-L98 HydrophobicContact CB-CD2 3.39Å; L61-L98 HydrophobicContact CB-CG 3.85Å; L61-L98 HydrophobicContact CD1-CD2 4.33Å; L61-V101 HydrophobicContact CD1-CB 4.48Å; L61-V101 HydrophobicContact CD1-CG2 3.75Å |
| 62 | R | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -34.9 | 177.3 | -76.7 | 179 | 68.4 | -119.6 | 14.7 | 111.9 | I58 G59 S60 R66 L98 E139 | I58-R62 HydrophobicContact CG1-CG 4.32Å; I58-R62 VanDerWaalsContact O-CB 3.28Å; I58-R62 WeakPolarHBondContact O-CB 3.27Å; I58-R62 VanDerWaalsContact O-CG 3.23Å; I58-R62 WeakPolarHBondContact O-CG 3.26Å; I58-R62 PolarHBondContact O-N 3.45Å; G59-R62 PolarHBondContact O-N 3.26Å; S60-R62 PolarHBondContact O-N 3Å; R62-R66 WeakPolarHBondContact O-CG 3.2Å; R62-R66 PolarHBondContact O-N 3.16Å; R62-R66 VanDerWaalsContact O-N 3.1Å; R62-R66 PolarHBondContact O-NH1 3.32Å; R62-L98 HydrophobicContact CG-CD2 3.69Å; R62-E139 IonicContact CZ-OE1 2.68Å; R62-E139 VanDerWaalsContact CZ-OE1 3.27Å; R62-E139 IonicContact CZ-OE2 3.15Å; R62-E139 IonicContact NE-OE1 3.27Å; R62-E139 PolarHBondContact NE-OE1 3.36Å; R62-E139 VanDerWaalsContact NE-OE1 3.07Å; R62-E139 IonicContact NE-OE2 3.48Å; R62-E139 PolarHBondContact NE-OE2 3.2Å; R62-E139 VanDerWaalsContact NH2-CD 3.31Å; R62-E139 IonicContact NH2-OE1 3.96Å; R62-E139 PolarHBondContact NH2-OE1 3.23Å; R62-E139 IonicContact NH2-OE2 3.7Å; R62-E139 PolarHBondContact NH2-OE2 3.08Å; R62-E139 VanDerWaalsContact NH2-OE2 3.15Å |
| 63 | A | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G59 S60 L61 W65 R66 I67 | G59-A63 WeakPolarHBondContact O-CB 3.18Å; G59-A63 PolarHBondContact O-N 2.91Å; S60-A63 PolarHBondContact O-N 3.49Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.04Å; A63-W65 VanDerWaalsContact C-N 3.35Å; A63-W65 PolarHBondContact O-N 3.48Å; A63-R66 PolarHBondContact O-N 3.43Å; A63-I67 WeakPolarHBondContact O-CG1 3.36Å; A63-I67 PolarHBondContact O-N 2.75Å; A63-I67 VanDerWaalsContact O-N 3.09Å |
| 64 | A | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S60 L61 R66 I67 V68 V94 | S60-A64 PolarHBondContact O-N 3.21Å; L61-A64 PolarHBondContact O-N 3.44Å; A64-R66 PolarHBondContact O-N 2.87Å; A64-I67 PolarHBondContact O-N 3.25Å; A64-V68 VanDerWaalsContact O-CG2 3.26Å; A64-V68 WeakPolarHBondContact O-CG2 3.44Å; A64-V68 PolarHBondContact O-N 2.86Å; A64-V94 HydrophobicContact CB-CG1 4.3Å |
| 65 | W | 98.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 177.6 | 173.3 | 77.5 | 0 | 0 | 0 | 112.4 | L61 A63 I67 V68 S69 V94 E95 L98 E139 F140 | L61-W65 WeakPolarHBondContact O-CB 3.49Å; L61-W65 PolarHBondContact O-N 3.44Å; A63-W65 VanDerWaalsContact C-N 3.35Å; A63-W65 PolarHBondContact O-N 3.48Å; W65-I67 VanDerWaalsContact C-N 3.33Å; W65-I67 PolarHBondContact O-N 3.39Å; W65-V68 PolarHBondContact O-N 3.5Å; W65-S69 WeakPolarHBondContact O-CB 3.26Å; W65-S69 PolarHBondContact O-N 2.96Å; W65-S69 PolarHBondContact O-OG 3.37Å; W65-V94 HydrophobicContact CB-CG1 3.83Å; W65-E95 PolarHBondContact NE1-OE1 3.08Å; W65-L98 HydrophobicContact CB-CD1 3.78Å; W65-L98 HydrophobicContact CG-CD1 4.03Å; W65-E139 HydrophobicContact CH2-CB 4.1Å; W65-E139 HydrophobicContact CZ3-CB 4.16Å; W65-F140 HydrophobicContact CD2-CB 4.35Å; W65-F140 VanDerWaalsContact CE2-CB 3.47Å; W65-F140 HydrophobicContact CH2-CB 4.21Å; W65-F140 HydrophobicContact CZ2-CB 3.41Å; W65-F140 VanDerWaalsContact CZ2-CB 3.41Å |
| 66 | R | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 51.8 Ų | 51.8 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 176.9 | -75.8 | -177.4 | -179.7 | 75.1 | 14.8 | 112.5 | R62 A63 A64 S70 E139 | R62-R66 WeakPolarHBondContact O-CG 3.2Å; R62-R66 PolarHBondContact O-N 3.16Å; R62-R66 VanDerWaalsContact O-N 3.1Å; R62-R66 PolarHBondContact O-NH1 3.32Å; A63-R66 PolarHBondContact O-N 3.43Å; A64-R66 PolarHBondContact O-N 2.87Å; R66-S70 WeakPolarHBondContact O-CB 3.46Å; R66-S70 PolarHBondContact O-N 3.15Å; R66-E139 IonicContact CZ-OE2 2.81Å; R66-E139 IonicContact NH2-OE2 3.07Å; R66-E139 PolarHBondContact NH2-OE2 3.12Å |
| 67 | I | 98.5 | Very high | 98.1 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 179.5 | -68.8 | 167.1 | 0 | 0 | 0 | 110.2 | A63 A64 W65 S70 I71 | A63-I67 WeakPolarHBondContact O-CG1 3.36Å; A63-I67 PolarHBondContact O-N 2.75Å; A63-I67 VanDerWaalsContact O-N 3.09Å; A64-I67 PolarHBondContact O-N 3.25Å; W65-I67 VanDerWaalsContact C-N 3.33Å; W65-I67 PolarHBondContact O-N 3.39Å; I67-S70 WeakPolarHBondContact O-CB 3.46Å; I67-S70 PolarHBondContact O-N 2.84Å; I67-I71 HydrophobicContact CG2-CD1 3.88Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 3.31Å |
| 68 | V | 98.5 | Very high | 98 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | -179.1 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | A64 W65 S70 I71 E72 V87 Y90 R91 | A64-V68 VanDerWaalsContact O-CG2 3.26Å; A64-V68 WeakPolarHBondContact O-CG2 3.44Å; A64-V68 PolarHBondContact O-N 2.86Å; W65-V68 PolarHBondContact O-N 3.5Å; V68-S70 VanDerWaalsContact C-N 3.3Å; V68-S70 PolarHBondContact O-N 2.77Å; V68-I71 PolarHBondContact O-N 3Å; V68-I71 VanDerWaalsContact O-N 3.14Å; V68-E72 PolarHBondContact O-N 3.42Å; V68-V87 HydrophobicContact CG1-CG1 3.78Å; V68-Y90 HydrophobicContact CB-CD1 4.47Å; V68-Y90 HydrophobicContact CG1-CD1 3.93Å; V68-Y90 HydrophobicContact CG2-CD1 3.6Å; V68-Y90 HydrophobicContact CG2-CE1 3.63Å; V68-R91 HydrophobicContact CG1-CB 3.69Å; V68-R91 HydrophobicContact CG1-CG 4.4Å |
| 69 | S | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | W65 E72 Q73 R91 | W65-S69 WeakPolarHBondContact O-CB 3.26Å; W65-S69 PolarHBondContact O-N 2.96Å; W65-S69 PolarHBondContact O-OG 3.37Å; S69-E72 WeakPolarHBondContact O-CB 3.48Å; S69-E72 PolarHBondContact O-N 2.97Å; S69-Q73 WeakPolarHBondContact O-CG 3.23Å; S69-Q73 PolarHBondContact O-N 2.96Å; S69-R91 VanDerWaalsContact OG-CD 3.24Å; S69-R91 WeakPolarHBondContact OG-CD 3.43Å |
| 70 | S | 98.2 | Very high | 97.6 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | R66 I67 V68 K74 | R66-S70 WeakPolarHBondContact O-CB 3.46Å; R66-S70 PolarHBondContact O-N 3.15Å; I67-S70 WeakPolarHBondContact O-CB 3.46Å; I67-S70 PolarHBondContact O-N 2.84Å; V68-S70 VanDerWaalsContact C-N 3.3Å; V68-S70 PolarHBondContact O-N 2.77Å; S70-K74 WeakPolarHBondContact O-CG 3.43Å; S70-K74 PolarHBondContact O-N 3.15Å |
| 71 | I | 98.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 71.2 Ų | 71.2 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.8 | -67.3 | 166.5 | 0 | 0 | 0 | 110.2 | I67 V68 Q73 K74 E75 V87 | I67-I71 HydrophobicContact CG2-CD1 3.88Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 3.31Å; V68-I71 PolarHBondContact O-N 3Å; V68-I71 VanDerWaalsContact O-N 3.14Å; I71-Q73 PolarHBondContact O-N 3.28Å; I71-K74 PolarHBondContact O-N 3.3Å; I71-K74 VanDerWaalsContact O-N 3.13Å; I71-E75 HydrophobicContact CG2-CG 4.31Å; I71-E75 PolarHBondContact O-N 3.16Å; I71-V87 HydrophobicContact CB-CG1 4.38Å; I71-V87 HydrophobicContact CG2-CG1 4.14Å; I71-V87 HydrophobicContact CG2-CG2 3.93Å |
| 72 | E | 97.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.8 | -52 | 176.6 | -175.7 | 172.3 | 151.2 | 0 | 0 | 110.8 | V68 S69 K74 E75 E76 V87 K88 R91 | V68-E72 PolarHBondContact O-N 3.42Å; S69-E72 WeakPolarHBondContact O-CB 3.48Å; S69-E72 PolarHBondContact O-N 2.97Å; E72-K74 VanDerWaalsContact C-N 3.28Å; E72-K74 PolarHBondContact O-N 3.16Å; E72-E75 PolarHBondContact O-N 3.43Å; E72-E75 VanDerWaalsContact O-N 3.16Å; E72-E76 WeakPolarHBondContact O-CG 3.42Å; E72-E76 PolarHBondContact O-N 2.68Å; E72-V87 HydrophobicContact CB-CG1 3.74Å; E72-K88 HydrophobicContact CG-CG 4.08Å; E72-K88 WeakPolarHBondContact OE1-CE 3.22Å; E72-K88 WeakPolarHBondContact OE1-CG 3.47Å; E72-R91 IonicContact OE1-CZ 3.93Å; E72-R91 IonicContact OE1-NE 2.57Å; E72-R91 IonicContact OE1-NH2 3.51Å; E72-R91 PolarHBondContact OE1-NH2 3.33Å; E72-R91 VanDerWaalsContact OE1-NH2 3.16Å; E72-R91 WeakPolarHBondContact OE2-CD 3.39Å; E72-R91 IonicContact OE2-CZ 3.16Å; E72-R91 IonicContact OE2-NE 2.97Å; E72-R91 PolarHBondContact OE2-NE 3.32Å; E72-R91 IonicContact OE2-NH2 2.74Å; E72-R91 PolarHBondContact OE2-NH2 2.94Å |
| 73 | Q | 97 | Very high | 97.3 | Very high | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.4 | -38.2 | 177.9 | -70.1 | 173.6 | -3.7 | 0 | 0 | 112.7 | S69 I71 G77 | S69-Q73 WeakPolarHBondContact O-CG 3.23Å; S69-Q73 PolarHBondContact O-N 2.96Å; I71-Q73 PolarHBondContact O-N 3.28Å; Q73-G77 PolarHBondContact O-N 3.43Å |
| 74 | K | 97.7 | Very high | 97.3 | Very high | 120 Ų | 120 | 76.7 Ų | 76.7 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 177.5 | -73.2 | 169.5 | -175.8 | 168.4 | 0 | 112.1 | S70 I71 E72 G77 R78 | S70-K74 WeakPolarHBondContact O-CG 3.43Å; S70-K74 PolarHBondContact O-N 3.15Å; I71-K74 PolarHBondContact O-N 3.3Å; I71-K74 VanDerWaalsContact O-N 3.13Å; E72-K74 VanDerWaalsContact C-N 3.28Å; E72-K74 PolarHBondContact O-N 3.16Å; K74-G77 PolarHBondContact O-N 3.16Å; K74-R78 VanDerWaalsContact O-CG 3.3Å; K74-R78 WeakPolarHBondContact O-CG 3.46Å; K74-R78 PolarHBondContact O-N 2.99Å; K74-R78 VanDerWaalsContact O-N 3.12Å |
| 75 | E | 97.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 78.3 Ų | 78.3 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71 | -34.8 | 177.4 | -65.5 | -57.5 | 122 | 0 | 0 | 111.7 | I71 E72 R78 K79 N80 H83 V84 | I71-E75 HydrophobicContact CG2-CG 4.31Å; I71-E75 PolarHBondContact O-N 3.16Å; E72-E75 PolarHBondContact O-N 3.43Å; E72-E75 VanDerWaalsContact O-N 3.16Å; E75-R78 CarbonylContact O-C 3.55Å; E75-R78 PolarHBondContact O-N 3.19Å; E75-R78 IonicContact OE1-CZ 3.64Å; E75-R78 IonicContact OE1-NE 3.98Å; E75-R78 IonicContact OE1-NH1 2.71Å; E75-R78 PolarHBondContact OE1-NH1 3.13Å; E75-K79 PolarHBondContact O-N 3.33Å; E75-K79 VanDerWaalsContact O-N 3.12Å; E75-N80 PolarHBondContact O-N 3.42Å; E75-N80 VanDerWaalsContact O-N 3.17Å; E75-N80 PolarHBondContact OE2-ND2 3.43Å; E75-N80 VanDerWaalsContact OE2-ND2 3.14Å; E75-H83 HydrophobicContact CB-CB 4.3Å; E75-H83 HydrophobicContact CG-CB 4.01Å; E75-H83 WeakPolarHBondContact OE2-CB 3.31Å; E75-H83 IonicContact OE2-CG 3.55Å; E75-H83 IonicContact OE2-ND1 3Å; E75-H83 PolarHBondContact OE2-ND1 3.15Å; E75-V84 VanDerWaalsContact C-CG2 3.46Å; E75-V84 HydrophobicContact CB-CG2 3.75Å |
| 76 | E | 96.8 | Very high | 97.3 | Very high | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 170.9 | -73.5 | -177.8 | 155.6 | 0 | 0 | 111.3 | E72 R78 K79 V84 K88 | E72-E76 WeakPolarHBondContact O-CG 3.42Å; E72-E76 PolarHBondContact O-N 2.68Å; E76-R78 PolarHBondContact O-N 3.33Å; E76-K79 PolarHBondContact O-N 3.1Å; E76-V84 HydrophobicContact CB-CG2 4.33Å; E76-V84 HydrophobicContact CG-CB 4.44Å; E76-V84 HydrophobicContact CG-CG1 3.81Å; E76-V84 HydrophobicContact CG-CG2 3.68Å; E76-K88 VanDerWaalsContact OE1-CE 3.22Å; E76-K88 WeakPolarHBondContact OE1-CE 3.22Å; E76-K88 IonicContact OE1-NZ 3.88Å; E76-K88 PolarHBondContact OE1-NZ 3.48Å |
| 77 | G | 96.8 | Very high | 97.3 | Very high | 66 Ų | 66 | 78.5 Ų | 78.5 | 68% | 0.68 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.2 | -28.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q73 K74 K79 | Q73-G77 PolarHBondContact O-N 3.43Å; K74-G77 PolarHBondContact O-N 3.16Å; G77-K79 VanDerWaalsContact C-N 3.33Å |
| 78 | R | 96.4 | Very high | 97.2 | Very high | 174 Ų | 174 | 77.2 Ų | 77.2 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.6 | 174.1 | -68.9 | 166.8 | -177.7 | -179.6 | -3.7 | 113.5 | K74 E75 E76 N80 | K74-R78 VanDerWaalsContact O-CG 3.3Å; K74-R78 WeakPolarHBondContact O-CG 3.46Å; K74-R78 PolarHBondContact O-N 2.99Å; K74-R78 VanDerWaalsContact O-N 3.12Å; E75-R78 CarbonylContact O-C 3.55Å; E75-R78 PolarHBondContact O-N 3.19Å; E75-R78 IonicContact OE1-CZ 3.64Å; E75-R78 IonicContact OE1-NE 3.98Å; E75-R78 IonicContact OE1-NH1 2.71Å; E75-R78 PolarHBondContact OE1-NH1 3.13Å; E76-R78 PolarHBondContact O-N 3.33Å; R78-N80 HydrophobicContact CB-CB 4.43Å; R78-N80 PolarHBondContact O-N 3.48Å |
| 79 | K | 94.8 | Very high | 97.2 | Very high | 176 Ų | 176 | 83.9 Ų | 83.9 | 77% | 0.765 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 37.5 | -174 | -55.4 | -178.9 | 179.2 | -179.6 | 0 | 112.6 | E75 E76 G77 D81 | E75-K79 PolarHBondContact O-N 3.33Å; E75-K79 VanDerWaalsContact O-N 3.12Å; E76-K79 PolarHBondContact O-N 3.1Å; G77-K79 VanDerWaalsContact C-N 3.33Å; K79-D81 PolarHBondContact O-N 3.23Å |
| 80 | N | 94.8 | Very high | 97.2 | Very high | 50 Ų | 50 | 88.8 Ų | 88.8 | 27% | 0.267 | 44% | 0.443 | S | S | . | . | trans | -94.3 | 77.4 | 178.8 | -172 | -5.9 | 0 | 0 | 0 | 109.9 | E75 R78 D82 H83 V84 | E75-N80 PolarHBondContact O-N 3.42Å; E75-N80 VanDerWaalsContact O-N 3.17Å; E75-N80 PolarHBondContact OE2-ND2 3.43Å; E75-N80 VanDerWaalsContact OE2-ND2 3.14Å; R78-N80 HydrophobicContact CB-CB 4.43Å; R78-N80 PolarHBondContact O-N 3.48Å; N80-D82 PolarHBondContact O-N 3.41Å; N80-H83 HydrophobicContact CB-CB 4.26Å; N80-H83 PolarHBondContact ND2-CE1 3.07Å; N80-H83 VanDerWaalsContact ND2-CE1 3.33Å; N80-H83 PolarHBondContact ND2-ND1 2.81Å; N80-H83 PolarHBondContact O-N 3.31Å; N80-H83 VanDerWaalsContact O-N 3.07Å; N80-H83 PolarHBondContact OD1-N 3.07Å; N80-V84 WeakPolarHBondContact O-CG2 3.34Å; N80-V84 PolarHBondContact O-N 2.68Å | ||
| 81 | D | 95.4 | Very high | 97.3 | Very high | 124 Ų | 124 | 89.4 Ų | 89.4 | 66% | 0.663 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -56.5 | -36.6 | -170.2 | -65.5 | -28.2 | 0 | 0 | 0 | 113 | K79 V84 S85 | K79-D81 PolarHBondContact O-N 3.23Å; D81-V84 PolarHBondContact O-N 2.98Å; D81-S85 PolarHBondContact O-N 3.22Å |
| 82 | D | 96.2 | Very high | 97.3 | Very high | 125 Ų | 125 | 88.3 Ų | 88.3 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.8 | -50 | 176.7 | -72.2 | -15.1 | 0 | 0 | 0 | 111 | N80 S85 L86 | N80-D82 PolarHBondContact O-N 3.41Å; D82-S85 PolarHBondContact O-N 2.86Å; D82-S85 PolarHBondContact O-OG 3.32Å; D82-L86 WeakPolarHBondContact O-CG 3.28Å; D82-L86 PolarHBondContact O-N 2.91Å |
| 83 | H | 97.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 92.8 Ų | 92.8 | 43% | 0.426 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.4 | -75.1 | -167.3 | 0 | 0 | 0 | 112.4 | E75 N80 S85 L86 V87 | E75-H83 HydrophobicContact CB-CB 4.3Å; E75-H83 HydrophobicContact CG-CB 4.01Å; E75-H83 WeakPolarHBondContact OE2-CB 3.31Å; E75-H83 IonicContact OE2-CG 3.55Å; E75-H83 IonicContact OE2-ND1 3Å; E75-H83 PolarHBondContact OE2-ND1 3.15Å; N80-H83 HydrophobicContact CB-CB 4.26Å; N80-H83 PolarHBondContact ND2-CE1 3.07Å; N80-H83 VanDerWaalsContact ND2-CE1 3.33Å; N80-H83 PolarHBondContact ND2-ND1 2.81Å; N80-H83 PolarHBondContact O-N 3.31Å; N80-H83 VanDerWaalsContact O-N 3.07Å; N80-H83 PolarHBondContact OD1-N 3.07Å; H83-S85 PolarHBondContact O-N 3.45Å; H83-L86 PolarHBondContact O-N 3.45Å; H83-L86 VanDerWaalsContact O-N 3.16Å; H83-V87 VanDerWaalsContact O-CG2 3.26Å; H83-V87 WeakPolarHBondContact O-CG2 3.4Å; H83-V87 PolarHBondContact O-N 3.29Å |
| 84 | V | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 86.7 Ų | 86.7 | 7% | 0.067 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | E75 E76 N80 D81 V87 K88 | E75-V84 VanDerWaalsContact C-CG2 3.46Å; E75-V84 HydrophobicContact CB-CG2 3.75Å; E76-V84 HydrophobicContact CB-CG2 4.33Å; E76-V84 HydrophobicContact CG-CB 4.44Å; E76-V84 HydrophobicContact CG-CG1 3.81Å; E76-V84 HydrophobicContact CG-CG2 3.68Å; N80-V84 WeakPolarHBondContact O-CG2 3.34Å; N80-V84 PolarHBondContact O-N 2.68Å; D81-V84 PolarHBondContact O-N 2.98Å; V84-V87 PolarHBondContact O-N 2.93Å; V84-K88 HydrophobicContact CG1-CD 3.86Å; V84-K88 HydrophobicContact CG1-CG 4.45Å; V84-K88 WeakPolarHBondContact O-CB 3.44Å; V84-K88 VanDerWaalsContact O-CG 3.32Å; V84-K88 WeakPolarHBondContact O-CG 3.28Å; V84-K88 PolarHBondContact O-N 3.24Å |
| 85 | S | 97.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 82.1 Ų | 82.1 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.9 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | D81 D82 H83 H89 | D81-S85 PolarHBondContact O-N 3.22Å; D82-S85 PolarHBondContact O-N 2.86Å; D82-S85 PolarHBondContact O-OG 3.32Å; H83-S85 PolarHBondContact O-N 3.45Å; S85-H89 PolarHBondContact O-N 2.87Å; S85-H89 VanDerWaalsContact O-N 3.1Å |
| 86 | L | 98.2 | Very high | 97.5 | Very high | 116 Ų | 116 | 85.5 Ų | 85.5 | 61% | 0.607 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | 177.8 | -68 | 173.4 | 0 | 0 | 0 | 111.7 | D82 H83 H89 Y90 | D82-L86 WeakPolarHBondContact O-CG 3.28Å; D82-L86 PolarHBondContact O-N 2.91Å; H83-L86 PolarHBondContact O-N 3.45Å; H83-L86 VanDerWaalsContact O-N 3.16Å; L86-H89 PolarHBondContact O-N 3.47Å; L86-Y90 PolarHBondContact O-N 3.34Å |
| 87 | V | 98.2 | Very high | 97.6 | Very high | 23 Ų | 23 | 84.7 Ų | 84.7 | 14% | 0.139 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.4 | -39.8 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | V68 I71 E72 H83 V84 H89 Y90 R91 | V68-V87 HydrophobicContact CG1-CG1 3.78Å; I71-V87 HydrophobicContact CB-CG1 4.38Å; I71-V87 HydrophobicContact CG2-CG1 4.14Å; I71-V87 HydrophobicContact CG2-CG2 3.93Å; E72-V87 HydrophobicContact CB-CG1 3.74Å; H83-V87 VanDerWaalsContact O-CG2 3.26Å; H83-V87 WeakPolarHBondContact O-CG2 3.4Å; H83-V87 PolarHBondContact O-N 3.29Å; V84-V87 PolarHBondContact O-N 2.93Å; V87-H89 VanDerWaalsContact C-N 3.34Å; V87-H89 PolarHBondContact O-N 3.49Å; V87-Y90 PolarHBondContact O-N 3.1Å; V87-R91 WeakPolarHBondContact O-CB 3.31Å; V87-R91 PolarHBondContact O-N 2.86Å |
| 88 | K | 98.2 | Very high | 97.7 | Very high | 79 Ų | 79 | 81.5 Ų | 81.5 | 34% | 0.343 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 173.3 | -83 | 175.4 | 178.1 | 168.9 | 0 | 112.3 | E72 E76 V84 R91 S92 | E72-K88 HydrophobicContact CG-CG 4.08Å; E72-K88 WeakPolarHBondContact OE1-CE 3.22Å; E72-K88 WeakPolarHBondContact OE1-CG 3.47Å; E76-K88 VanDerWaalsContact OE1-CE 3.22Å; E76-K88 WeakPolarHBondContact OE1-CE 3.22Å; E76-K88 IonicContact OE1-NZ 3.88Å; E76-K88 PolarHBondContact OE1-NZ 3.48Å; V84-K88 HydrophobicContact CG1-CD 3.86Å; V84-K88 HydrophobicContact CG1-CG 4.45Å; V84-K88 WeakPolarHBondContact O-CB 3.44Å; V84-K88 VanDerWaalsContact O-CG 3.32Å; V84-K88 WeakPolarHBondContact O-CG 3.28Å; V84-K88 PolarHBondContact O-N 3.24Å; K88-R91 PolarHBondContact O-N 3.15Å; K88-S92 PolarHBondContact O-N 3.42Å |
| 89 | H | 98.2 | Very high | 97.8 | Very high | 150 Ų | 150 | 74.9 Ų | 74.9 | 69% | 0.694 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 176.5 | -177 | 69 | 0 | 0 | 0 | 111.5 | S85 L86 V87 S92 K93 | S85-H89 PolarHBondContact O-N 2.87Å; S85-H89 VanDerWaalsContact O-N 3.1Å; L86-H89 PolarHBondContact O-N 3.47Å; V87-H89 VanDerWaalsContact C-N 3.34Å; V87-H89 PolarHBondContact O-N 3.49Å; H89-S92 PolarHBondContact O-N 3.49Å; H89-K93 PolarHBondContact O-N 2.85Å; H89-K93 VanDerWaalsContact O-N 3.13Å |
| 90 | Y | 98.4 | Very high | 97.9 | Very high | 125 Ų | 125 | 72.5 Ų | 72.5 | 49% | 0.49 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177.4 | -168.9 | -109.8 | 0 | 0 | 0 | 112.6 | V68 L86 V87 S92 K93 V94 | V68-Y90 HydrophobicContact CB-CD1 4.47Å; V68-Y90 HydrophobicContact CG1-CD1 3.93Å; V68-Y90 HydrophobicContact CG2-CD1 3.6Å; V68-Y90 HydrophobicContact CG2-CE1 3.63Å; L86-Y90 PolarHBondContact O-N 3.34Å; V87-Y90 PolarHBondContact O-N 3.1Å; Y90-S92 VanDerWaalsContact C-N 3.34Å; Y90-S92 PolarHBondContact O-N 3.03Å; Y90-K93 WeakPolarHBondContact O-CB 3.28Å; Y90-K93 PolarHBondContact O-N 3.02Å; Y90-V94 HydrophobicContact CE1-CG2 4.31Å; Y90-V94 PolarHBondContact O-N 3.47Å |
| 91 | R | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 21% | 0.211 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 173.3 | -176.1 | 176.2 | 50.9 | 85.1 | -5.1 | 111 | V68 S69 E72 V87 K88 K93 V94 E95 | V68-R91 HydrophobicContact CG1-CB 3.69Å; V68-R91 HydrophobicContact CG1-CG 4.4Å; S69-R91 VanDerWaalsContact OG-CD 3.24Å; S69-R91 WeakPolarHBondContact OG-CD 3.43Å; E72-R91 IonicContact OE1-CZ 3.93Å; E72-R91 IonicContact OE1-NE 2.57Å; E72-R91 IonicContact OE1-NH2 3.51Å; E72-R91 PolarHBondContact OE1-NH2 3.33Å; E72-R91 VanDerWaalsContact OE1-NH2 3.16Å; E72-R91 WeakPolarHBondContact OE2-CD 3.39Å; E72-R91 IonicContact OE2-CZ 3.16Å; E72-R91 IonicContact OE2-NE 2.97Å; E72-R91 PolarHBondContact OE2-NE 3.32Å; E72-R91 IonicContact OE2-NH2 2.74Å; E72-R91 PolarHBondContact OE2-NH2 2.94Å; V87-R91 WeakPolarHBondContact O-CB 3.31Å; V87-R91 PolarHBondContact O-N 2.86Å; K88-R91 PolarHBondContact O-N 3.15Å; R91-K93 PolarHBondContact O-N 3.48Å; R91-V94 PolarHBondContact O-N 3.33Å; R91-E95 WeakPolarHBondContact CD-OE1 3.05Å; R91-E95 HydrophobicContact CG-CG 4.27Å; R91-E95 WeakPolarHBondContact CG-OE1 3.33Å; R91-E95 IonicContact CZ-OE1 3.7Å; R91-E95 IonicContact NE-OE1 3.69Å; R91-E95 VanDerWaalsContact NH1-CD 3.26Å; R91-E95 IonicContact NH1-OE1 3.51Å; R91-E95 PolarHBondContact NH1-OE1 3.43Å; R91-E95 IonicContact NH1-OE2 2.68Å; R91-E95 PolarHBondContact NH1-OE2 3.26Å; R91-E95 VanDerWaalsContact NH1-OE2 3.13Å; R91-E95 WeakPolarHBondContact O-CG 3.39Å; R91-E95 PolarHBondContact O-N 3.09Å |
| 92 | S | 98.3 | Very high | 98.3 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -35.9 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | K88 H89 Y90 E95 N96 | K88-S92 PolarHBondContact O-N 3.42Å; H89-S92 PolarHBondContact O-N 3.49Å; Y90-S92 VanDerWaalsContact C-N 3.34Å; Y90-S92 PolarHBondContact O-N 3.03Å; S92-E95 PolarHBondContact O-N 2.87Å; S92-N96 PolarHBondContact O-N 2.53Å; S92-N96 PolarHBondContact O-ND2 2.73Å; S92-N96 VanDerWaalsContact O-ND2 3.09Å |
| 93 | K | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 62 Ų | 62 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 172.3 | -179.2 | -177.7 | 170.8 | -174.5 | 0 | 111.7 | H89 Y90 R91 E95 N96 E97 | H89-K93 PolarHBondContact O-N 2.85Å; H89-K93 VanDerWaalsContact O-N 3.13Å; Y90-K93 WeakPolarHBondContact O-CB 3.28Å; Y90-K93 PolarHBondContact O-N 3.02Å; R91-K93 PolarHBondContact O-N 3.48Å; K93-E95 VanDerWaalsContact C-N 3.32Å; K93-E95 PolarHBondContact O-N 3.4Å; K93-N96 WeakPolarHBondContact O-CB 3.37Å; K93-N96 PolarHBondContact O-N 3.48Å; K93-E97 WeakPolarHBondContact CE-OE1 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.41Å; K93-E97 PolarHBondContact O-N 3.26Å |
| 94 | V | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | A64 W65 Y90 R91 N96 E97 L98 | A64-V94 HydrophobicContact CB-CG1 4.3Å; W65-V94 HydrophobicContact CB-CG1 3.83Å; Y90-V94 HydrophobicContact CE1-CG2 4.31Å; Y90-V94 PolarHBondContact O-N 3.47Å; R91-V94 PolarHBondContact O-N 3.33Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-N96 PolarHBondContact O-N 3.27Å; V94-E97 PolarHBondContact O-N 3.06Å; V94-L98 HydrophobicContact CG1-CD1 4.35Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.44Å |
| 95 | E | 98.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 175.8 | -71.4 | 173.7 | 172.8 | 0 | 0 | 112.5 | W65 R91 S92 K93 T99 F140 | W65-E95 PolarHBondContact NE1-OE1 3.08Å; R91-E95 WeakPolarHBondContact CD-OE1 3.05Å; R91-E95 HydrophobicContact CG-CG 4.27Å; R91-E95 WeakPolarHBondContact CG-OE1 3.33Å; R91-E95 IonicContact CZ-OE1 3.7Å; R91-E95 IonicContact NE-OE1 3.69Å; R91-E95 VanDerWaalsContact NH1-CD 3.26Å; R91-E95 IonicContact NH1-OE1 3.51Å; R91-E95 PolarHBondContact NH1-OE1 3.43Å; R91-E95 IonicContact NH1-OE2 2.68Å; R91-E95 PolarHBondContact NH1-OE2 3.26Å; R91-E95 VanDerWaalsContact NH1-OE2 3.13Å; R91-E95 WeakPolarHBondContact O-CG 3.39Å; R91-E95 PolarHBondContact O-N 3.09Å; S92-E95 PolarHBondContact O-N 2.87Å; K93-E95 VanDerWaalsContact C-N 3.32Å; K93-E95 PolarHBondContact O-N 3.4Å; E95-T99 VanDerWaalsContact O-CB 3.31Å; E95-T99 WeakPolarHBondContact O-CB 3.31Å; E95-T99 PolarHBondContact O-N 3.15Å; E95-T99 PolarHBondContact O-OG1 2.93Å; E95-F140 HydrophobicContact CB-CD2 3.75Å; E95-F140 HydrophobicContact CB-CE2 3.85Å; E95-F140 HydrophobicContact CG-CB 4.22Å; E95-F140 HydrophobicContact CG-CD2 3.59Å; E95-F140 HydrophobicContact CG-CE2 4.18Å; E95-F140 HydrophobicContact CG-CG 4.06Å |
| 96 | N | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 173.9 | -71.6 | -34.1 | 0 | 0 | 0 | 111.5 | S92 K93 V94 T99 Q100 | S92-N96 PolarHBondContact O-N 2.53Å; S92-N96 PolarHBondContact O-ND2 2.73Å; S92-N96 VanDerWaalsContact O-ND2 3.09Å; K93-N96 WeakPolarHBondContact O-CB 3.37Å; K93-N96 PolarHBondContact O-N 3.48Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-N96 PolarHBondContact O-N 3.27Å; N96-T99 PolarHBondContact O-N 3.26Å; N96-Q100 VanDerWaalsContact O-CG 3.26Å; N96-Q100 WeakPolarHBondContact O-CG 3.33Å; N96-Q100 PolarHBondContact O-N 3.13Å |
| 97 | E | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 175 | -68.9 | 167.3 | -174.4 | 0 | 0 | 111.1 | L61 K93 V94 T99 Q100 V101 | L61-E97 HydrophobicContact CD1-CB 4.35Å; L61-E97 HydrophobicContact CD2-CB 3.94Å; L61-E97 WeakPolarHBondContact CD2-OE2 3.38Å; K93-E97 WeakPolarHBondContact CE-OE1 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.41Å; K93-E97 PolarHBondContact O-N 3.26Å; V94-E97 PolarHBondContact O-N 3.06Å; E97-T99 VanDerWaalsContact C-N 3.34Å; E97-T99 PolarHBondContact O-N 3.28Å; E97-Q100 PolarHBondContact O-N 3.11Å; E97-V101 WeakPolarHBondContact O-CG2 3.37Å; E97-V101 PolarHBondContact O-N 3.29Å |
| 98 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 172.3 | -79.5 | 169.5 | 0 | 0 | 0 | 111.9 | I58 L61 R62 W65 V94 Q100 V101 C102 F140 | I58-L98 HydrophobicContact CD1-CD2 3.55Å; I58-L98 HydrophobicContact CG1-CD2 4.14Å; L61-L98 HydrophobicContact CB-CD2 3.39Å; L61-L98 HydrophobicContact CB-CG 3.85Å; L61-L98 HydrophobicContact CD1-CD2 4.33Å; R62-L98 HydrophobicContact CG-CD2 3.69Å; W65-L98 HydrophobicContact CB-CD1 3.78Å; W65-L98 HydrophobicContact CG-CD1 4.03Å; V94-L98 HydrophobicContact CG1-CD1 4.35Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.44Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 2.87Å; L98-V101 PolarHBondContact O-N 3.22Å; L98-C102 WeakPolarHBondContact O-CB 3.41Å; L98-C102 PolarHBondContact O-N 2.72Å; L98-C102 PolarHBondContact O-SG 3.41Å; L98-C102 VanDerWaalsContact O-SG 3.32Å; L98-F140 HydrophobicContact CB-CE1 3.81Å; L98-F140 HydrophobicContact CB-CZ 3.75Å; L98-F140 HydrophobicContact CD1-CD1 4.12Å; L98-F140 HydrophobicContact CD1-CE1 3.98Å; L98-F140 HydrophobicContact CG-CE1 4.46Å |
| 99 | T | 98.7 | Very high | 98.6 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -42.1 | -179.8 | -60 | 0 | 0 | 0 | 0 | 111.1 | E95 N96 E97 C102 A103 L137 F140 K141 | E95-T99 VanDerWaalsContact O-CB 3.31Å; E95-T99 WeakPolarHBondContact O-CB 3.31Å; E95-T99 PolarHBondContact O-N 3.15Å; E95-T99 PolarHBondContact O-OG1 2.93Å; N96-T99 PolarHBondContact O-N 3.26Å; E97-T99 VanDerWaalsContact C-N 3.34Å; E97-T99 PolarHBondContact O-N 3.28Å; T99-C102 PolarHBondContact O-N 3.21Å; T99-A103 VanDerWaalsContact O-CB 3.26Å; T99-A103 WeakPolarHBondContact O-CB 3.42Å; T99-A103 PolarHBondContact O-N 3.39Å; T99-L137 HydrophobicContact CG2-CD2 4.44Å; T99-F140 WeakPolarHBondContact OG1-CE2 3.5Å; T99-F140 WeakPolarHBondContact OG1-CZ 3.47Å; T99-K141 WeakPolarHBondContact OG1-CE 3.35Å |
| 100 | Q | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 47 Ų | 47 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.9 | -43.6 | 179.2 | -72.9 | 170.2 | 14.3 | 0 | 0 | 112.3 | N96 E97 L98 A103 T104 | N96-Q100 VanDerWaalsContact O-CG 3.26Å; N96-Q100 WeakPolarHBondContact O-CG 3.33Å; N96-Q100 PolarHBondContact O-N 3.13Å; E97-Q100 PolarHBondContact O-N 3.11Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 2.87Å; Q100-A103 PolarHBondContact O-N 3.34Å; Q100-T104 WeakPolarHBondContact O-CB 3.5Å; Q100-T104 PolarHBondContact O-N 2.99Å; Q100-T104 PolarHBondContact O-OG1 3.15Å |
| 101 | V | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | Y54 V57 I58 L61 E97 L98 T104 I105 | Y54-V101 HydrophobicContact CD1-CG1 4.03Å; Y54-V101 HydrophobicContact CE1-CG1 4.27Å; V57-V101 HydrophobicContact CG1-CG1 4.3Å; V57-V101 HydrophobicContact CG1-CG2 3.97Å; I58-V101 HydrophobicContact CB-CG1 4.42Å; I58-V101 HydrophobicContact CD1-CB 3.95Å; I58-V101 HydrophobicContact CD1-CG1 3.72Å; L61-V101 HydrophobicContact CD1-CB 4.48Å; L61-V101 HydrophobicContact CD1-CG2 3.75Å; E97-V101 WeakPolarHBondContact O-CG2 3.37Å; E97-V101 PolarHBondContact O-N 3.29Å; L98-V101 PolarHBondContact O-N 3.22Å; V101-T104 PolarHBondContact O-N 3.01Å; V101-I105 WeakPolarHBondContact O-CG2 3.48Å; V101-I105 PolarHBondContact O-N 2.84Å; V101-I105 VanDerWaalsContact O-N 3.16Å |
| 102 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 175.9 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | L98 T99 T104 I105 L106 Y133 L137 | L98-C102 WeakPolarHBondContact O-CB 3.41Å; L98-C102 PolarHBondContact O-N 2.72Å; L98-C102 PolarHBondContact O-SG 3.41Å; L98-C102 VanDerWaalsContact O-SG 3.32Å; T99-C102 PolarHBondContact O-N 3.21Å; C102-T104 VanDerWaalsContact C-N 3.26Å; C102-T104 PolarHBondContact O-N 3.48Å; C102-I105 VanDerWaalsContact O-CG2 3.3Å; C102-I105 WeakPolarHBondContact O-CG2 3.36Å; C102-I105 PolarHBondContact O-N 2.91Å; C102-L106 HydrophobicContact CB-CD1 4.46Å; C102-L106 VanDerWaalsContact O-CB 3.27Å; C102-L106 WeakPolarHBondContact O-CB 3.27Å; C102-L106 WeakPolarHBondContact O-CD1 3.42Å; C102-L106 WeakPolarHBondContact O-CG 3.3Å; C102-L106 PolarHBondContact O-N 2.89Å; C102-Y133 HydrophobicContact CB-CD1 4.32Å; C102-L137 HydrophobicContact CB-CD1 4.09Å; C102-L137 HydrophobicContact CB-CD2 3.72Å; C102-L137 HydrophobicContact CB-CG 3.83Å |
| 103 | A | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 44% | 0.438 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.1 | -39.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | T99 Q100 S107 | T99-A103 VanDerWaalsContact O-CB 3.26Å; T99-A103 WeakPolarHBondContact O-CB 3.42Å; T99-A103 PolarHBondContact O-N 3.39Å; Q100-A103 PolarHBondContact O-N 3.34Å; A103-S107 WeakPolarHBondContact O-CB 3.47Å; A103-S107 PolarHBondContact O-N 3.46Å |
| 104 | T | 98.5 | Very high | 98.6 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 34% | 0.344 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -50.3 | -179.6 | -55 | 0 | 0 | 0 | 0 | 111.7 | Q30 Q100 V101 C102 S107 L108 | Q30-T104 VanDerWaalsContact NE2-CG2 3.29Å; Q100-T104 WeakPolarHBondContact O-CB 3.5Å; Q100-T104 PolarHBondContact O-N 2.99Å; Q100-T104 PolarHBondContact O-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.01Å; C102-T104 VanDerWaalsContact C-N 3.26Å; C102-T104 PolarHBondContact O-N 3.48Å; T104-S107 PolarHBondContact O-N 3.43Å; T104-L108 WeakPolarHBondContact O-CG 3.03Å; T104-L108 PolarHBondContact O-N 3.15Å |
| 105 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.5 | -37.5 | 179.7 | -173.6 | 57 | 0 | 0 | 0 | 112.4 | Y54 V101 C102 S107 L108 L109 M129 Y133 | Y54-I105 HydrophobicContact CD1-CB 3.87Å; Y54-I105 HydrophobicContact CD1-CD1 4.5Å; Y54-I105 HydrophobicContact CD1-CG1 4.27Å; Y54-I105 HydrophobicContact CD1-CG2 4.39Å; Y54-I105 HydrophobicContact CD2-CD1 4.01Å; Y54-I105 HydrophobicContact CE1-CB 3.61Å; Y54-I105 HydrophobicContact CE1-CD1 4.38Å; Y54-I105 HydrophobicContact CE1-CG1 4.32Å; Y54-I105 HydrophobicContact CE1-CG2 4.38Å; Y54-I105 HydrophobicContact CE2-CD1 3.88Å; Y54-I105 HydrophobicContact CG-CB 4.47Å; Y54-I105 HydrophobicContact CG-CD1 4.3Å; Y54-I105 HydrophobicContact CG-CG1 4.39Å; V101-I105 WeakPolarHBondContact O-CG2 3.48Å; V101-I105 PolarHBondContact O-N 2.84Å; V101-I105 VanDerWaalsContact O-N 3.16Å; C102-I105 VanDerWaalsContact O-CG2 3.3Å; C102-I105 WeakPolarHBondContact O-CG2 3.36Å; C102-I105 PolarHBondContact O-N 2.91Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 2.73Å; I105-L108 PolarHBondContact O-N 3.39Å; I105-L109 HydrophobicContact CD1-CG 4.35Å; I105-L109 HydrophobicContact CG1-CD1 3.96Å; I105-L109 HydrophobicContact CG1-CG 4.29Å; I105-L109 WeakPolarHBondContact O-CB 3.29Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.13Å; I105-L109 PolarHBondContact O-N 3.24Å; I105-M129 HydrophobicContact CD1-CE 3.85Å; I105-M129 HydrophobicContact CD1-SD 4.36Å; I105-M129 HydrophobicContact CG1-CE 3.84Å; I105-M129 HydrophobicContact CG1-SD 4.44Å; I105-Y133 HydrophobicContact CG1-CD2 4.26Å; I105-Y133 HydrophobicContact CG1-CE2 4.18Å; I105-Y133 HydrophobicContact CG2-CD1 3.36Å; I105-Y133 HydrophobicContact CG2-CD2 3.68Å; I105-Y133 HydrophobicContact CG2-CE1 3.65Å; I105-Y133 HydrophobicContact CG2-CE2 4Å; I105-Y133 HydrophobicContact CG2-CG 3.4Å; I105-Y133 VanDerWaalsContact CG2-CG 3.4Å |
| 106 | L | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.6 | -70.3 | 171.3 | 0 | 0 | 0 | 111.1 | C102 L108 L109 D110 K130 L137 | C102-L106 HydrophobicContact CB-CD1 4.46Å; C102-L106 VanDerWaalsContact O-CB 3.27Å; C102-L106 WeakPolarHBondContact O-CB 3.27Å; C102-L106 WeakPolarHBondContact O-CD1 3.42Å; C102-L106 WeakPolarHBondContact O-CG 3.3Å; C102-L106 PolarHBondContact O-N 2.89Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L106-L108 PolarHBondContact O-N 3.37Å; L106-L109 HydrophobicContact CD2-CD1 4.41Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-D110 PolarHBondContact O-N 3.19Å; L106-K130 HydrophobicContact CD2-CG 3.77Å; L106-L137 HydrophobicContact CD1-CD1 3.94Å |
| 107 | S | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -41 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | A103 T104 I105 S111 | A103-S107 WeakPolarHBondContact O-CB 3.47Å; A103-S107 PolarHBondContact O-N 3.46Å; T104-S107 PolarHBondContact O-N 3.43Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 2.73Å; S107-S111 VanDerWaalsContact O-CB 3.24Å; S107-S111 WeakPolarHBondContact O-CB 3.26Å; S107-S111 PolarHBondContact O-N 2.89Å; S107-S111 PolarHBondContact O-OG 3.48Å |
| 108 | L | 98.5 | Very high | 98.2 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.1 | -37.8 | 176.1 | -65.7 | 168.2 | 0 | 0 | 0 | 111.5 | Q30 V33 V34 Y54 T104 I105 L106 D110 N112 L113 | Q30-L108 HydrophobicContact CG-CD1 3.86Å; V33-L108 HydrophobicContact CG1-CB 4.44Å; V33-L108 HydrophobicContact CG1-CD2 3.94Å; V34-L108 HydrophobicContact CG2-CD2 3.8Å; Y54-L108 WeakPolarHBondContact OH-CD1 3.25Å; T104-L108 WeakPolarHBondContact O-CG 3.03Å; T104-L108 PolarHBondContact O-N 3.15Å; I105-L108 PolarHBondContact O-N 3.39Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L106-L108 PolarHBondContact O-N 3.37Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 3.4Å; L108-N112 WeakPolarHBondContact O-CA 3.39Å; L108-N112 WeakPolarHBondContact O-CB 3.26Å; L108-N112 PolarHBondContact O-N 2.82Å; L108-L113 HydrophobicContact CB-CD1 4.35Å; L108-L113 PolarHBondContact O-N 3.18Å |
| 109 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -60.5 | -47 | 176 | -73.1 | 163.4 | 0 | 0 | 0 | 110.5 | I105 L106 L113 V114 Y126 M129 K130 | I105-L109 HydrophobicContact CD1-CG 4.35Å; I105-L109 HydrophobicContact CG1-CD1 3.96Å; I105-L109 HydrophobicContact CG1-CG 4.29Å; I105-L109 WeakPolarHBondContact O-CB 3.29Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.13Å; I105-L109 PolarHBondContact O-N 3.24Å; L106-L109 HydrophobicContact CD2-CD1 4.41Å; L106-L109 PolarHBondContact O-N 3.43Å; L109-L113 HydrophobicContact CD2-CB 4.24Å; L109-L113 HydrophobicContact CD2-CD1 3.78Å; L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-V114 VanDerWaalsContact O-CB 3.25Å; L109-V114 WeakPolarHBondContact O-CB 3.45Å; L109-V114 VanDerWaalsContact O-CG2 3.31Å; L109-V114 WeakPolarHBondContact O-CG2 3.31Å; L109-V114 PolarHBondContact O-N 3.39Å; L109-Y126 HydrophobicContact CD2-CD1 3.91Å; L109-Y126 HydrophobicContact CD2-CG 4.16Å; L109-M129 HydrophobicContact CD1-CB 4.37Å; L109-M129 HydrophobicContact CD1-CG 4.22Å; L109-M129 HydrophobicContact CD2-CB 4.34Å; L109-M129 HydrophobicContact CD2-SD 4.25Å; L109-K130 HydrophobicContact CD1-CB 3.98Å |
| 110 | D | 98.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -75.1 | -40.1 | -175.6 | -73 | -17.3 | 0 | 0 | 0 | 113.8 | L106 L108 P115 K130 | L106-D110 PolarHBondContact O-N 3.19Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 3.4Å; D110-P115 WeakPolarHBondContact O-CD 3.41Å; D110-P115 VanDerWaalsContact O-CG 3.25Å; D110-P115 WeakPolarHBondContact O-CG 3.36Å; D110-K130 VanDerWaalsContact CG-NZ 3.28Å; D110-K130 WeakPolarHBondContact OD1-CE 3.37Å; D110-K130 IonicContact OD1-NZ 2.66Å; D110-K130 PolarHBondContact OD1-NZ 2.92Å; D110-K130 IonicContact OD2-NZ 3.29Å; D110-K130 PolarHBondContact OD2-NZ 3.07Å; D110-K130 VanDerWaalsContact OD2-NZ 3.14Å |
| 111 | S | 97.7 | Very high | 98 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -90.6 | -20.6 | -173.2 | -53.4 | 0 | 0 | 0 | 0 | 113.6 | S107 | S107-S111 VanDerWaalsContact O-CB 3.24Å; S107-S111 WeakPolarHBondContact O-CB 3.26Å; S107-S111 PolarHBondContact O-N 2.89Å; S107-S111 PolarHBondContact O-OG 3.48Å |
| 112 | N | 98.3 | Very high | 98 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -131.2 | -63.4 | -163.8 | -72.9 | 89.2 | 0 | 0 | 0 | 112.1 | V33 T37 L108 S116 | V33-N112 HydrophobicContact CG1-CB 3.65Å; T37-N112 PolarHBondContact O-ND2 3.08Å; T37-N112 WeakPolarHBondContact OG1-CB 3.36Å; T37-N112 PolarHBondContact OG1-ND2 3.43Å; L108-N112 WeakPolarHBondContact O-CA 3.39Å; L108-N112 WeakPolarHBondContact O-CB 3.26Å; L108-N112 PolarHBondContact O-N 2.82Å; N112-S116 VanDerWaalsContact O-CB 3.25Å; N112-S116 WeakPolarHBondContact O-CB 3.37Å; N112-S116 PolarHBondContact O-N 3.42Å; N112-S116 VanDerWaalsContact O-N 3.12Å; N112-S116 PolarHBondContact O-OG 2.95Å |
| 113 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -77.5 | -51.1 | -165.5 | -61.3 | 164.4 | 0 | 0 | 0 | 112.9 | V33 L42 L50 L108 L109 S116 A117 Y126 | V33-L113 HydrophobicContact CG1-CD2 3.94Å; V33-L113 HydrophobicContact CG1-CG 4.1Å; V33-L113 HydrophobicContact CG2-CD2 3.98Å; L42-L113 HydrophobicContact CD1-CD2 3.66Å; L42-L113 HydrophobicContact CG-CD2 4.07Å; L50-L113 HydrophobicContact CD2-CD1 3.59Å; L50-L113 HydrophobicContact CD2-CD2 4.16Å; L108-L113 HydrophobicContact CB-CD1 4.35Å; L108-L113 PolarHBondContact O-N 3.18Å; L109-L113 HydrophobicContact CD2-CB 4.24Å; L109-L113 HydrophobicContact CD2-CD1 3.78Å; L109-L113 HydrophobicContact CG-CD1 4.21Å; L113-S116 PolarHBondContact O-N 3.4Å; L113-S116 VanDerWaalsContact O-N 3.16Å; L113-S116 PolarHBondContact O-OG 3.21Å; L113-A117 PolarHBondContact O-N 3.21Å; L113-A117 VanDerWaalsContact O-N 3.14Å; L113-Y126 HydrophobicContact CB-CD1 3.87Å; L113-Y126 HydrophobicContact CB-CD2 3.95Å; L113-Y126 HydrophobicContact CB-CE1 3.94Å; L113-Y126 HydrophobicContact CB-CE2 4.01Å; L113-Y126 HydrophobicContact CB-CG 3.91Å; L113-Y126 HydrophobicContact CD1-CD1 4.24Å; L113-Y126 HydrophobicContact CD1-CE1 4.18Å; L113-Y126 HydrophobicContact CD2-CE1 3.97Å; L113-Y126 HydrophobicContact CG-CD1 4.49Å; L113-Y126 HydrophobicContact CG-CE1 4.25Å; L113-Y126 WeakPolarHBondContact O-CD2 3.47Å |
| 114 | V | 98.2 | Very high | 98 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 111 | L109 S116 A117 | L109-V114 VanDerWaalsContact O-CB 3.25Å; L109-V114 WeakPolarHBondContact O-CB 3.45Å; L109-V114 VanDerWaalsContact O-CG2 3.31Å; L109-V114 WeakPolarHBondContact O-CG2 3.31Å; L109-V114 PolarHBondContact O-N 3.39Å; V114-S116 VanDerWaalsContact C-N 3.29Å; V114-S116 PolarHBondContact O-N 3Å; V114-A117 PolarHBondContact O-N 3.43Å |
| 115 | P | 97.8 | Very high | 98 | Very high | 77 Ų | 77 | 35.3 Ų | 35.3 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.7 | -30.5 | 174.3 | -25.5 | 35.7 | 0 | 0 | 0 | 114.7 | P38 D110 | P38-P115 HydrophobicContact CB-CB 4.13Å; D110-P115 WeakPolarHBondContact O-CD 3.41Å; D110-P115 VanDerWaalsContact O-CG 3.25Å; D110-P115 WeakPolarHBondContact O-CG 3.36Å |
| 116 | S | 97.5 | Very high | 98 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.2 | -17.7 | 179.1 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | N112 L113 V114 S118 | N112-S116 VanDerWaalsContact O-CB 3.25Å; N112-S116 WeakPolarHBondContact O-CB 3.37Å; N112-S116 PolarHBondContact O-N 3.42Å; N112-S116 VanDerWaalsContact O-N 3.12Å; N112-S116 PolarHBondContact O-OG 2.95Å; L113-S116 PolarHBondContact O-N 3.4Å; L113-S116 VanDerWaalsContact O-N 3.16Å; L113-S116 PolarHBondContact O-OG 3.21Å; V114-S116 VanDerWaalsContact C-N 3.29Å; V114-S116 PolarHBondContact O-N 3Å; S116-S118 PolarHBondContact O-N 2.92Å |
| 117 | A | 97.4 | Very high | 98 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -75.1 | 109.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L113 V114 K123 Y126 | L113-A117 PolarHBondContact O-N 3.21Å; L113-A117 VanDerWaalsContact O-N 3.14Å; V114-A117 PolarHBondContact O-N 3.43Å; A117-K123 HydrophobicContact CB-CG 3.76Å; A117-K123 WeakPolarHBondContact O-CE 3.36Å; A117-Y126 HydrophobicContact CB-CD2 3.82Å; A117-Y126 HydrophobicContact CB-CE2 3.97Å | ||
| 118 | S | 95.4 | Very high | 98 | Very high | 88 Ų | 88 | 34.4 Ų | 34.4 | 62% | 0.615 | 21% | 0.205 | S | C | * | . | trans | -89.7 | -44.7 | 176.5 | 67 | 0 | 0 | 0 | 0 | 111.9 | E41 S116 K123 | E41-S118 WeakPolarHBondContact OE2-CB 3.49Å; E41-S118 PolarHBondContact OE2-N 3.31Å; E41-S118 PolarHBondContact OE2-OG 3.07Å; S116-S118 PolarHBondContact O-N 2.92Å; S118-K123 WeakPolarHBondContact O-CE 3.35Å; S118-K123 PolarHBondContact O-NZ 3.34Å | ||
| 119 | A | 96 | Very high | 98 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 37% | 0.372 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -74.6 | 143.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | E121 S122 K123 | A119-E121 PolarHBondContact O-N 3.47Å; A119-S122 PolarHBondContact O-N 2.99Å; A119-K123 WeakPolarHBondContact O-CG 3.39Å; A119-K123 PolarHBondContact O-N 3.08Å; A119-K123 VanDerWaalsContact O-N 3.08Å |
| 120 | S | 97.7 | Very high | 98 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -37.2 | 176.4 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | S122 K123 V124 D167 | S120-S122 PolarHBondContact O-N 3.28Å; S120-K123 PolarHBondContact O-N 3.26Å; S120-V124 VanDerWaalsContact O-CG2 3.31Å; S120-V124 WeakPolarHBondContact O-CG2 3.47Å; S120-V124 PolarHBondContact O-N 2.89Å; S120-D167 VanDerWaalsContact CB-OD2 3.22Å; S120-D167 WeakPolarHBondContact CB-OD2 3.16Å; S120-D167 PolarHBondContact OG-OD2 3.42Å |
| 121 | E | 97.1 | Very high | 98 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55 | -52.5 | 174.9 | -168.8 | -169.3 | 136.7 | 0 | 0 | 112 | R47 A119 K123 V124 F125 I174 | R47-E121 IonicContact CZ-OE1 3.24Å; R47-E121 VanDerWaalsContact CZ-OE1 3.24Å; R47-E121 IonicContact NH1-OE1 2.77Å; R47-E121 PolarHBondContact NH1-OE1 2.98Å; R47-E121 IonicContact NH2-OE1 2.7Å; R47-E121 PolarHBondContact NH2-OE1 3.05Å; A119-E121 PolarHBondContact O-N 3.47Å; E121-K123 PolarHBondContact O-N 3.17Å; E121-V124 PolarHBondContact O-N 3.2Å; E121-F125 WeakPolarHBondContact O-CB 3.28Å; E121-F125 PolarHBondContact O-N 2.96Å; E121-I174 HydrophobicContact CG-CD1 3.35Å; E121-I174 WeakPolarHBondContact OE1-CD1 3.47Å |
| 122 | S | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | -179.9 | -62 | 0 | 0 | 0 | 0 | 112.3 | E41 A119 S120 F125 Y126 | E41-S122 WeakPolarHBondContact OE1-CB 3.44Å; E41-S122 PolarHBondContact OE1-OG 3.17Å; A119-S122 PolarHBondContact O-N 2.99Å; S120-S122 PolarHBondContact O-N 3.28Å; S122-F125 WeakPolarHBondContact O-CB 3.39Å; S122-F125 PolarHBondContact O-N 2.9Å; S122-Y126 WeakPolarHBondContact O-CD2 3.5Å; S122-Y126 PolarHBondContact O-N 3.4Å |
| 123 | K | 98.5 | Very high | 98.1 | Very high | 76 Ų | 76 | 29 Ų | 29 | 33% | 0.33 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.6 | -50 | 175.5 | -69.4 | 173.2 | -173.5 | 166.4 | 0 | 111.1 | A117 S118 A119 S120 E121 F125 Y126 L127 I163 | A117-K123 HydrophobicContact CB-CG 3.76Å; A117-K123 WeakPolarHBondContact O-CE 3.36Å; S118-K123 WeakPolarHBondContact O-CE 3.35Å; S118-K123 PolarHBondContact O-NZ 3.34Å; A119-K123 WeakPolarHBondContact O-CG 3.39Å; A119-K123 PolarHBondContact O-N 3.08Å; A119-K123 VanDerWaalsContact O-N 3.08Å; S120-K123 PolarHBondContact O-N 3.26Å; E121-K123 PolarHBondContact O-N 3.17Å; K123-F125 VanDerWaalsContact C-N 3.31Å; K123-F125 PolarHBondContact O-N 3.41Å; K123-Y126 PolarHBondContact O-N 2.88Å; K123-L127 VanDerWaalsContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CB 3.34Å; K123-L127 VanDerWaalsContact O-CG 3.25Å; K123-L127 WeakPolarHBondContact O-CG 3.29Å; K123-L127 PolarHBondContact O-N 3.49Å; K123-I163 HydrophobicContact CB-CD1 4.02Å; K123-I163 HydrophobicContact CD-CD1 4.41Å |
| 124 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | S120 E121 K128 A160 I163 A164 L168 I174 L178 | S120-V124 VanDerWaalsContact O-CG2 3.31Å; S120-V124 WeakPolarHBondContact O-CG2 3.47Å; S120-V124 PolarHBondContact O-N 2.89Å; E121-V124 PolarHBondContact O-N 3.2Å; V124-K128 WeakPolarHBondContact O-CB 3.43Å; V124-K128 PolarHBondContact O-N 3.4Å; V124-A160 HydrophobicContact CG1-CB 4.33Å; V124-I163 HydrophobicContact CG2-CB 3.79Å; V124-I163 HydrophobicContact CG2-CG2 3.58Å; V124-A164 HydrophobicContact CG1-CB 3.88Å; V124-A164 HydrophobicContact CG2-CB 3.93Å; V124-L168 HydrophobicContact CB-CD1 4.15Å; V124-L168 HydrophobicContact CG1-CD1 4.23Å; V124-L168 HydrophobicContact CG2-CD1 3.93Å; V124-I174 HydrophobicContact CB-CG2 4.02Å; V124-I174 HydrophobicContact CG1-CG2 3.55Å; V124-L178 HydrophobicContact CG1-CD2 4.2Å |
| 125 | F | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 11% | 0.114 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -52.5 | 178.3 | -170.9 | -83.3 | 0 | 0 | 0 | 112.2 | R47 E121 S122 K123 M129 I174 | R47-F125 HydrophobicContact CG-CD1 3.65Å; R47-F125 HydrophobicContact CG-CE1 3.4Å; R47-F125 VanDerWaalsContact CG-CE1 3.4Å; R47-F125 HydrophobicContact CG-CE2 4.31Å; R47-F125 HydrophobicContact CG-CG 4.21Å; R47-F125 HydrophobicContact CG-CZ 3.74Å; E121-F125 WeakPolarHBondContact O-CB 3.28Å; E121-F125 PolarHBondContact O-N 2.96Å; S122-F125 WeakPolarHBondContact O-CB 3.39Å; S122-F125 PolarHBondContact O-N 2.9Å; K123-F125 VanDerWaalsContact C-N 3.31Å; K123-F125 PolarHBondContact O-N 3.41Å; F125-M129 HydrophobicContact CE1-SD 4.38Å; F125-M129 WeakPolarHBondContact O-CB 3.36Å; F125-M129 PolarHBondContact O-N 3.37Å; F125-I174 HydrophobicContact CB-CD1 4.26Å; F125-I174 HydrophobicContact CD2-CD1 3.8Å; F125-I174 HydrophobicContact CD2-CG1 4.21Å |
| 126 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.7 | -38.4 | -177.3 | -62.2 | -44.6 | 0 | 0 | 0 | 112.6 | R47 L109 L113 A117 S122 K123 M129 K130 | R47-Y126 HydrophobicContact CG-CE1 3.89Å; L109-Y126 HydrophobicContact CD2-CD1 3.91Å; L109-Y126 HydrophobicContact CD2-CG 4.16Å; L113-Y126 HydrophobicContact CB-CD1 3.87Å; L113-Y126 HydrophobicContact CB-CD2 3.95Å; L113-Y126 HydrophobicContact CB-CE1 3.94Å; L113-Y126 HydrophobicContact CB-CE2 4.01Å; L113-Y126 HydrophobicContact CB-CG 3.91Å; L113-Y126 HydrophobicContact CD1-CD1 4.24Å; L113-Y126 HydrophobicContact CD1-CE1 4.18Å; L113-Y126 HydrophobicContact CD2-CE1 3.97Å; L113-Y126 HydrophobicContact CG-CD1 4.49Å; L113-Y126 HydrophobicContact CG-CE1 4.25Å; L113-Y126 WeakPolarHBondContact O-CD2 3.47Å; A117-Y126 HydrophobicContact CB-CD2 3.82Å; A117-Y126 HydrophobicContact CB-CE2 3.97Å; S122-Y126 WeakPolarHBondContact O-CD2 3.5Å; S122-Y126 PolarHBondContact O-N 3.4Å; K123-Y126 PolarHBondContact O-N 2.88Å; Y126-M129 PolarHBondContact O-N 2.94Å; Y126-K130 WeakPolarHBondContact O-CB 3.26Å; Y126-K130 PolarHBondContact O-N 3.47Å |
| 127 | L | 98.9 | Very high | 98.2 | Very high | 26 Ų | 26 | 26.3 Ų | 26.3 | 14% | 0.136 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 175.8 | -70.2 | 169.6 | 0 | 0 | 0 | 111.8 | K123 K130 G131 A159 A160 I163 | K123-L127 VanDerWaalsContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CB 3.34Å; K123-L127 VanDerWaalsContact O-CG 3.25Å; K123-L127 WeakPolarHBondContact O-CG 3.29Å; K123-L127 PolarHBondContact O-N 3.49Å; L127-K130 WeakPolarHBondContact O-CB 3.4Å; L127-K130 PolarHBondContact O-N 3.06Å; L127-G131 PolarHBondContact O-N 2.87Å; L127-A159 HydrophobicContact CD1-CB 4.07Å; L127-A159 HydrophobicContact CD2-CB 4.45Å; L127-A160 HydrophobicContact CB-CB 3.72Å; L127-I163 HydrophobicContact CD1-CD1 3.82Å |
| 128 | K | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 170.7 | 178 | -167.7 | 171.1 | -66.8 | 0 | 110.5 | V124 K130 G131 D132 Y157 G177 L178 N181 | V124-K128 WeakPolarHBondContact O-CB 3.43Å; V124-K128 PolarHBondContact O-N 3.4Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.18Å; K128-G131 PolarHBondContact O-N 2.75Å; K128-G131 VanDerWaalsContact O-N 3.16Å; K128-D132 IonicContact NZ-OD2 3.72Å; K128-D132 PolarHBondContact NZ-OD2 2.8Å; K128-D132 PolarHBondContact O-N 2.76Å; K128-Y157 HydrophobicContact CG-CE1 4.45Å; K128-Y157 WeakPolarHBondContact O-CE1 3.49Å; K128-G177 WeakPolarHBondContact CE-O 3.24Å; K128-L178 HydrophobicContact CB-CD1 4.09Å; K128-L178 HydrophobicContact CD-CB 4.12Å; K128-L178 HydrophobicContact CG-CB 4.32Å; K128-L178 HydrophobicContact CG-CD1 3.99Å; K128-N181 PolarHBondContact NZ-ND2 3.41Å |
| 129 | M | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 178.1 | -167.5 | 177.9 | -169.2 | 0 | 0 | 111 | I105 L109 F125 Y126 G131 D132 Y133 | I105-M129 HydrophobicContact CD1-CE 3.85Å; I105-M129 HydrophobicContact CD1-SD 4.36Å; I105-M129 HydrophobicContact CG1-CE 3.84Å; I105-M129 HydrophobicContact CG1-SD 4.44Å; L109-M129 HydrophobicContact CD1-CB 4.37Å; L109-M129 HydrophobicContact CD1-CG 4.22Å; L109-M129 HydrophobicContact CD2-CB 4.34Å; L109-M129 HydrophobicContact CD2-SD 4.25Å; F125-M129 HydrophobicContact CE1-SD 4.38Å; F125-M129 WeakPolarHBondContact O-CB 3.36Å; F125-M129 PolarHBondContact O-N 3.37Å; Y126-M129 PolarHBondContact O-N 2.94Å; M129-G131 PolarHBondContact O-N 2.85Å; M129-D132 WeakPolarHBondContact O-CB 3.27Å; M129-D132 PolarHBondContact O-N 2.9Å; M129-D132 VanDerWaalsContact O-N 3.16Å; M129-Y133 HydrophobicContact CE-CE2 3.75Å; M129-Y133 HydrophobicContact CG-CD2 3.95Å; M129-Y133 HydrophobicContact CG-CE2 3.78Å; M129-Y133 VanDerWaalsContact O-CD2 3.26Å; M129-Y133 WeakPolarHBondContact O-CD2 3.45Å; M129-Y133 PolarHBondContact O-N 3.34Å |
| 130 | K | 98.9 | Very high | 98.5 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 17% | 0.174 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 174.2 | -172.5 | 175.4 | 177.8 | 168.8 | 0 | 111.7 | L106 L109 D110 Y126 L127 K128 D132 Y133 H134 S156 | L106-K130 HydrophobicContact CD2-CG 3.77Å; L109-K130 HydrophobicContact CD1-CB 3.98Å; D110-K130 VanDerWaalsContact CG-NZ 3.28Å; D110-K130 WeakPolarHBondContact OD1-CE 3.37Å; D110-K130 IonicContact OD1-NZ 2.66Å; D110-K130 PolarHBondContact OD1-NZ 2.92Å; D110-K130 IonicContact OD2-NZ 3.29Å; D110-K130 PolarHBondContact OD2-NZ 3.07Å; D110-K130 VanDerWaalsContact OD2-NZ 3.14Å; Y126-K130 WeakPolarHBondContact O-CB 3.26Å; Y126-K130 PolarHBondContact O-N 3.47Å; L127-K130 WeakPolarHBondContact O-CB 3.4Å; L127-K130 PolarHBondContact O-N 3.06Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.18Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 2.86Å; K130-Y133 PolarHBondContact O-N 3.02Å; K130-H134 WeakPolarHBondContact CE-NE2 3.5Å; K130-H134 PolarHBondContact O-CD2 2.94Å; K130-H134 VanDerWaalsContact O-CD2 3.22Å; K130-H134 PolarHBondContact O-N 3.16Å; K130-H134 VanDerWaalsContact O-N 3.07Å; K130-S156 WeakPolarHBondContact CG-OG 3.43Å |
| 131 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L127 K128 M129 Y133 H134 R135 | L127-G131 PolarHBondContact O-N 2.87Å; K128-G131 PolarHBondContact O-N 2.75Å; K128-G131 VanDerWaalsContact O-N 3.16Å; M129-G131 PolarHBondContact O-N 2.85Å; G131-Y133 PolarHBondContact O-N 2.82Å; G131-H134 PolarHBondContact O-N 3.25Å; G131-R135 VanDerWaalsContact O-CB 3.26Å; G131-R135 WeakPolarHBondContact O-CB 3.15Å; G131-R135 PolarHBondContact O-N 3.36Å |
| 132 | D | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 176.4 | -80.2 | -48.3 | 0 | 0 | 0 | 112.4 | K128 M129 K130 R135 Y136 Y157 N181 | K128-D132 IonicContact NZ-OD2 3.72Å; K128-D132 PolarHBondContact NZ-OD2 2.8Å; K128-D132 PolarHBondContact O-N 2.76Å; M129-D132 WeakPolarHBondContact O-CB 3.27Å; M129-D132 PolarHBondContact O-N 2.9Å; M129-D132 VanDerWaalsContact O-N 3.16Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 2.86Å; D132-R135 WeakPolarHBondContact O-CB 3.49Å; D132-R135 PolarHBondContact O-N 3.07Å; D132-R135 IonicContact OD1-CZ 2.86Å; D132-R135 IonicContact OD1-NE 3.14Å; D132-R135 IonicContact OD1-NH2 3.67Å; D132-R135 PolarHBondContact OD1-NH2 3.2Å; D132-Y136 HydrophobicContact CB-CE2 4.29Å; D132-Y136 VanDerWaalsContact O-CD1 3.28Å; D132-Y136 WeakPolarHBondContact O-CD1 3.4Å; D132-Y136 VanDerWaalsContact O-CD2 3.28Å; D132-Y136 WeakPolarHBondContact O-CD2 3.49Å; D132-Y136 PolarHBondContact O-N 3.34Å; D132-Y157 PolarHBondContact OD1-OH 3.15Å; D132-N181 WeakPolarHBondContact OD1-CB 3.24Å; D132-N181 PolarHBondContact OD1-ND2 3.09Å; D132-N181 PolarHBondContact OD2-ND2 3.22Å |
| 133 | Y | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.8 | -34.3 | -178.6 | -79.1 | -83.3 | 0 | 0 | 0 | 113.6 | Y54 I58 C102 I105 M129 K130 G131 R135 Y136 L137 | Y54-Y133 VanDerWaalsContact CB-OH 3.31Å; Y54-Y133 WeakPolarHBondContact CB-OH 3.4Å; Y54-Y133 PolarHBondContact O-OH 3.18Å; I58-Y133 HydrophobicContact CB-CE1 3.96Å; I58-Y133 HydrophobicContact CD1-CD1 4.47Å; I58-Y133 HydrophobicContact CD1-CE1 4.11Å; I58-Y133 HydrophobicContact CG1-CD1 4.45Å; I58-Y133 HydrophobicContact CG1-CE1 3.86Å; I58-Y133 HydrophobicContact CG2-CE1 4.03Å; C102-Y133 HydrophobicContact CB-CD1 4.32Å; I105-Y133 HydrophobicContact CG1-CD2 4.26Å; I105-Y133 HydrophobicContact CG1-CE2 4.18Å; I105-Y133 HydrophobicContact CG2-CD1 3.36Å; I105-Y133 HydrophobicContact CG2-CD2 3.68Å; I105-Y133 HydrophobicContact CG2-CE1 3.65Å; I105-Y133 HydrophobicContact CG2-CE2 4Å; I105-Y133 HydrophobicContact CG2-CG 3.4Å; I105-Y133 VanDerWaalsContact CG2-CG 3.4Å; M129-Y133 HydrophobicContact CE-CE2 3.75Å; M129-Y133 HydrophobicContact CG-CD2 3.95Å; M129-Y133 HydrophobicContact CG-CE2 3.78Å; M129-Y133 VanDerWaalsContact O-CD2 3.26Å; M129-Y133 WeakPolarHBondContact O-CD2 3.45Å; M129-Y133 PolarHBondContact O-N 3.34Å; K130-Y133 PolarHBondContact O-N 3.02Å; G131-Y133 PolarHBondContact O-N 2.82Å; Y133-R135 VanDerWaalsContact C-N 3.32Å; Y133-Y136 AromaticContact CD1-CD2 3.84Å; Y133-Y136 HydrophobicContact CD1-CD2 3.84Å; Y133-Y136 HydrophobicContact CD1-CE2 4.25Å; Y133-Y136 HydrophobicContact CE1-CD2 4.08Å; Y133-Y136 HydrophobicContact CE1-CE2 4.17Å; Y133-Y136 HydrophobicContact CG-CD2 4.23Å; Y133-Y136 HydrophobicContact CG-CE2 4.47Å; Y133-Y136 PolarHBondContact O-N 2.9Å; Y133-L137 PolarHBondContact O-N 2.99Å |
| 134 | H | 98.9 | Very high | 98.5 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 168.8 | -76.4 | -72.3 | 0 | 0 | 0 | 111.6 | K130 G131 Y136 L137 A138 D152 T153 | K130-H134 WeakPolarHBondContact CE-NE2 3.5Å; K130-H134 PolarHBondContact O-CD2 2.94Å; K130-H134 VanDerWaalsContact O-CD2 3.22Å; K130-H134 PolarHBondContact O-N 3.16Å; K130-H134 VanDerWaalsContact O-N 3.07Å; G131-H134 PolarHBondContact O-N 3.25Å; H134-Y136 VanDerWaalsContact C-N 3.32Å; H134-Y136 PolarHBondContact O-N 3.37Å; H134-L137 WeakPolarHBondContact O-CB 3.4Å; H134-L137 PolarHBondContact O-N 3.35Å; H134-L137 VanDerWaalsContact O-N 3.16Å; H134-A138 PolarHBondContact O-N 3.05Å; H134-D152 HydrophobicContact CB-CB 4.17Å; H134-D152 VanDerWaalsContact CE1-CB 3.49Å; H134-D152 WeakPolarHBondContact CE1-CB 3.43Å; H134-D152 IonicContact CE1-OD2 3.56Å; H134-D152 PolarHBondContact CE1-OD2 3.43Å; H134-D152 VanDerWaalsContact CE1-OD2 3.29Å; H134-D152 WeakPolarHBondContact ND1-CB 3.41Å; H134-D152 IonicContact ND1-OD2 3.5Å; H134-T153 VanDerWaalsContact CB-OG1 3.26Å; H134-T153 WeakPolarHBondContact CB-OG1 3Å |
| 135 | R | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 35 Ų | 35 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.3 | -178.6 | 172.9 | 62.3 | 93.9 | -10.1 | 111.6 | G131 D132 Y133 L137 A138 E139 T153 Y157 F185 E188 I189 | G131-R135 VanDerWaalsContact O-CB 3.26Å; G131-R135 WeakPolarHBondContact O-CB 3.15Å; G131-R135 PolarHBondContact O-N 3.36Å; D132-R135 WeakPolarHBondContact O-CB 3.49Å; D132-R135 PolarHBondContact O-N 3.07Å; D132-R135 IonicContact OD1-CZ 2.86Å; D132-R135 IonicContact OD1-NE 3.14Å; D132-R135 IonicContact OD1-NH2 3.67Å; D132-R135 PolarHBondContact OD1-NH2 3.2Å; Y133-R135 VanDerWaalsContact C-N 3.32Å; R135-L137 VanDerWaalsContact C-N 3.3Å; R135-L137 PolarHBondContact O-N 3.5Å; R135-A138 WeakPolarHBondContact O-CB 3.36Å; R135-A138 PolarHBondContact O-N 2.67Å; R135-A138 VanDerWaalsContact O-N 3.08Å; R135-E139 PolarHBondContact O-N 3.1Å; R135-E139 VanDerWaalsContact O-N 3.16Å; R135-T153 WeakPolarHBondContact CA-OG1 3.1Å; R135-T153 HydrophobicContact CB-CG2 3.83Å; R135-T153 HydrophobicContact CG-CG2 4.49Å; R135-T153 PolarHBondContact N-OG1 3.48Å; R135-Y157 PolarHBondContact NE-OH 3.45Å; R135-Y157 VanDerWaalsContact NE-OH 3.07Å; R135-F185 HydrophobicContact CG-CD2 4.17Å; R135-E188 IonicContact NH1-OE2 2.76Å; R135-I189 HydrophobicContact CG-CG1 4.01Å |
| 136 | Y | 98.7 | Very high | 98.5 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 11% | 0.106 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 175.7 | -57.4 | -26 | 0 | 0 | 0 | 112.1 | I58 D132 Y133 H134 A138 E139 F140 | I58-Y136 HydrophobicContact CG1-CD2 3.77Å; I58-Y136 HydrophobicContact CG1-CE2 4.21Å; I58-Y136 HydrophobicContact CG2-CD2 4.32Å; I58-Y136 HydrophobicContact CG2-CE2 3.89Å; D132-Y136 HydrophobicContact CB-CE2 4.29Å; D132-Y136 VanDerWaalsContact O-CD1 3.28Å; D132-Y136 WeakPolarHBondContact O-CD1 3.4Å; D132-Y136 VanDerWaalsContact O-CD2 3.28Å; D132-Y136 WeakPolarHBondContact O-CD2 3.49Å; D132-Y136 PolarHBondContact O-N 3.34Å; Y133-Y136 AromaticContact CD1-CD2 3.84Å; Y133-Y136 HydrophobicContact CD1-CD2 3.84Å; Y133-Y136 HydrophobicContact CD1-CE2 4.25Å; Y133-Y136 HydrophobicContact CE1-CD2 4.08Å; Y133-Y136 HydrophobicContact CE1-CE2 4.17Å; Y133-Y136 HydrophobicContact CG-CD2 4.23Å; Y133-Y136 HydrophobicContact CG-CE2 4.47Å; Y133-Y136 PolarHBondContact O-N 2.9Å; H134-Y136 VanDerWaalsContact C-N 3.32Å; H134-Y136 PolarHBondContact O-N 3.37Å; Y136-A138 VanDerWaalsContact C-N 3.35Å; Y136-E139 WeakPolarHBondContact CD1-OE1 3.49Å; Y136-E139 WeakPolarHBondContact O-CB 3.41Å; Y136-E139 PolarHBondContact O-N 3Å; Y136-F140 WeakPolarHBondContact O-CD1 3.34Å; Y136-F140 WeakPolarHBondContact O-CE1 3.36Å |
| 137 | L | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 171.4 | -67.5 | 171.6 | 0 | 0 | 0 | 111 | T99 C102 L106 Y133 H134 R135 E139 F140 K141 A149 | T99-L137 HydrophobicContact CG2-CD2 4.44Å; C102-L137 HydrophobicContact CB-CD1 4.09Å; C102-L137 HydrophobicContact CB-CD2 3.72Å; C102-L137 HydrophobicContact CB-CG 3.83Å; L106-L137 HydrophobicContact CD1-CD1 3.94Å; Y133-L137 PolarHBondContact O-N 2.99Å; H134-L137 WeakPolarHBondContact O-CB 3.4Å; H134-L137 PolarHBondContact O-N 3.35Å; H134-L137 VanDerWaalsContact O-N 3.16Å; R135-L137 VanDerWaalsContact C-N 3.3Å; R135-L137 PolarHBondContact O-N 3.5Å; L137-E139 PolarHBondContact O-N 2.92Å; L137-E139 VanDerWaalsContact O-N 3.15Å; L137-F140 HydrophobicContact CD2-CE1 4.29Å; L137-F140 HydrophobicContact CD2-CZ 3.81Å; L137-F140 PolarHBondContact O-N 3.33Å; L137-K141 HydrophobicContact CB-CG 4.27Å; L137-K141 VanDerWaalsContact O-CB 3.26Å; L137-K141 WeakPolarHBondContact O-CB 3.26Å; L137-K141 WeakPolarHBondContact O-CG 3.44Å; L137-K141 PolarHBondContact O-N 3.4Å; L137-A149 HydrophobicContact CB-CB 3.94Å |
| 138 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -24.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H134 R135 Y136 F140 R146 A149 I189 | H134-A138 PolarHBondContact O-N 3.05Å; R135-A138 WeakPolarHBondContact O-CB 3.36Å; R135-A138 PolarHBondContact O-N 2.67Å; R135-A138 VanDerWaalsContact O-N 3.08Å; Y136-A138 VanDerWaalsContact C-N 3.35Å; A138-F140 PolarHBondContact O-N 3.44Å; A138-R146 VanDerWaalsContact O-CZ 3.27Å; A138-R146 PolarHBondContact O-NH1 3.02Å; A138-A149 HydrophobicContact CB-CB 3.97Å; A138-I189 HydrophobicContact CB-CD1 4.36Å; A138-I189 HydrophobicContact CB-CG2 3.92Å |
| 139 | E | 98 | Very high | 98.5 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.8 | -72.5 | 171.5 | -140.6 | 0 | 0 | 113.1 | R62 W65 R66 R135 Y136 L137 I189 | R62-E139 IonicContact CZ-OE1 2.68Å; R62-E139 VanDerWaalsContact CZ-OE1 3.27Å; R62-E139 IonicContact CZ-OE2 3.15Å; R62-E139 IonicContact NE-OE1 3.27Å; R62-E139 PolarHBondContact NE-OE1 3.36Å; R62-E139 VanDerWaalsContact NE-OE1 3.07Å; R62-E139 IonicContact NE-OE2 3.48Å; R62-E139 PolarHBondContact NE-OE2 3.2Å; R62-E139 VanDerWaalsContact NH2-CD 3.31Å; R62-E139 IonicContact NH2-OE1 3.96Å; R62-E139 PolarHBondContact NH2-OE1 3.23Å; R62-E139 IonicContact NH2-OE2 3.7Å; R62-E139 PolarHBondContact NH2-OE2 3.08Å; R62-E139 VanDerWaalsContact NH2-OE2 3.15Å; W65-E139 HydrophobicContact CH2-CB 4.1Å; W65-E139 HydrophobicContact CZ3-CB 4.16Å; R66-E139 IonicContact CZ-OE2 2.81Å; R66-E139 IonicContact NH2-OE2 3.07Å; R66-E139 PolarHBondContact NH2-OE2 3.12Å; R135-E139 PolarHBondContact O-N 3.1Å; R135-E139 VanDerWaalsContact O-N 3.16Å; Y136-E139 WeakPolarHBondContact CD1-OE1 3.49Å; Y136-E139 WeakPolarHBondContact O-CB 3.41Å; Y136-E139 PolarHBondContact O-N 3Å; L137-E139 PolarHBondContact O-N 2.92Å; L137-E139 VanDerWaalsContact O-N 3.15Å; E139-I189 HydrophobicContact CG-CD1 3.98Å |
| 140 | F | 97.5 | Very high | 98.5 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -122.2 | -18.5 | -169.7 | 67 | -93 | 0 | 0 | 0 | 114.5 | W65 E95 L98 T99 Y136 L137 A138 | W65-F140 HydrophobicContact CD2-CB 4.35Å; W65-F140 VanDerWaalsContact CE2-CB 3.47Å; W65-F140 HydrophobicContact CH2-CB 4.21Å; W65-F140 HydrophobicContact CZ2-CB 3.41Å; W65-F140 VanDerWaalsContact CZ2-CB 3.41Å; E95-F140 HydrophobicContact CB-CD2 3.75Å; E95-F140 HydrophobicContact CB-CE2 3.85Å; E95-F140 HydrophobicContact CG-CB 4.22Å; E95-F140 HydrophobicContact CG-CD2 3.59Å; E95-F140 HydrophobicContact CG-CE2 4.18Å; E95-F140 HydrophobicContact CG-CG 4.06Å; L98-F140 HydrophobicContact CB-CE1 3.81Å; L98-F140 HydrophobicContact CB-CZ 3.75Å; L98-F140 HydrophobicContact CD1-CD1 4.12Å; L98-F140 HydrophobicContact CD1-CE1 3.98Å; L98-F140 HydrophobicContact CG-CE1 4.46Å; T99-F140 WeakPolarHBondContact OG1-CE2 3.5Å; T99-F140 WeakPolarHBondContact OG1-CZ 3.47Å; Y136-F140 WeakPolarHBondContact O-CD1 3.34Å; Y136-F140 WeakPolarHBondContact O-CE1 3.36Å; L137-F140 HydrophobicContact CD2-CE1 4.29Å; L137-F140 HydrophobicContact CD2-CZ 3.81Å; L137-F140 PolarHBondContact O-N 3.33Å; A138-F140 PolarHBondContact O-N 3.44Å |
| 141 | K | 98.3 | Very high | 98.4 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | trans | -66.6 | 157.2 | 173.1 | -67.1 | -52.7 | -159.3 | 155.6 | 0 | 111 | T99 L137 E145 R146 | T99-K141 WeakPolarHBondContact OG1-CE 3.35Å; L137-K141 HydrophobicContact CB-CG 4.27Å; L137-K141 VanDerWaalsContact O-CB 3.26Å; L137-K141 WeakPolarHBondContact O-CB 3.26Å; L137-K141 WeakPolarHBondContact O-CG 3.44Å; L137-K141 PolarHBondContact O-N 3.4Å; K141-E145 HydrophobicContact CB-CB 4.01Å; K141-E145 HydrophobicContact CD-CB 4.42Å; K141-E145 WeakPolarHBondContact CD-OE2 3.48Å; K141-E145 VanDerWaalsContact CE-OE2 3.27Å; K141-E145 WeakPolarHBondContact CE-OE2 3.38Å; K141-E145 HydrophobicContact CG-CB 4.29Å; K141-E145 IonicContact NZ-OE2 3.07Å; K141-E145 PolarHBondContact NZ-OE2 2.97Å; K141-R146 HydrophobicContact CB-CB 4.37Å; K141-R146 WeakPolarHBondContact O-CB 3.46Å | ||
| 142 | V | 97.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 50 Ų | 50 | 69% | 0.691 | 26% | 0.264 | S | S | * | . | trans | -129.6 | 162.6 | -177.6 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | D144 E145 R146 | V142-D144 PolarHBondContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 2.94Å; V142-R146 PolarHBondContact O-N 3.13Å | ||
| 143 | G | 97.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | 56.8 | -135 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E145 R146 K147 | G143-E145 VanDerWaalsContact C-N 3.32Å; G143-E145 PolarHBondContact O-N 3.44Å; G143-R146 PolarHBondContact O-N 3.25Å; G143-K147 PolarHBondContact O-N 3.14Å; G143-K147 VanDerWaalsContact O-N 3.15Å |
| 144 | D | 98.3 | Very high | 98.4 | Very high | 133 Ų | 133 | 51.1 Ų | 51.1 | 71% | 0.711 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.4 | -35.9 | -177.9 | -67.4 | -27.6 | 0 | 0 | 0 | 112.6 | V142 R146 K147 T148 | V142-D144 PolarHBondContact O-N 3.15Å; D144-R146 VanDerWaalsContact C-N 3.31Å; D144-R146 PolarHBondContact O-N 3.02Å; D144-K147 WeakPolarHBondContact O-CB 3.38Å; D144-K147 PolarHBondContact O-N 3.29Å; D144-K147 VanDerWaalsContact O-N 3.15Å; D144-T148 PolarHBondContact O-N 3.38Å; D144-T148 PolarHBondContact O-OG1 3.31Å |
| 145 | E | 98.2 | Very high | 98.4 | Very high | 114 Ų | 114 | 55.8 Ų | 55.8 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 177.3 | -64 | -171.1 | 170.1 | 0 | 0 | 111.5 | K141 V142 G143 A149 | K141-E145 HydrophobicContact CB-CB 4.01Å; K141-E145 HydrophobicContact CD-CB 4.42Å; K141-E145 WeakPolarHBondContact CD-OE2 3.48Å; K141-E145 VanDerWaalsContact CE-OE2 3.27Å; K141-E145 WeakPolarHBondContact CE-OE2 3.38Å; K141-E145 HydrophobicContact CG-CB 4.29Å; K141-E145 IonicContact NZ-OE2 3.07Å; K141-E145 PolarHBondContact NZ-OE2 2.97Å; V142-E145 PolarHBondContact O-N 2.94Å; G143-E145 VanDerWaalsContact C-N 3.32Å; G143-E145 PolarHBondContact O-N 3.44Å; E145-A149 WeakPolarHBondContact O-CB 3.16Å; E145-A149 PolarHBondContact O-N 2.94Å |
| 146 | R | 98.4 | Very high | 98.4 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 174.6 | -170.3 | -179.5 | 168.8 | 100.9 | 0.3 | 111.2 | A138 K141 V142 G143 D144 A149 T150 | A138-R146 VanDerWaalsContact O-CZ 3.27Å; A138-R146 PolarHBondContact O-NH1 3.02Å; K141-R146 HydrophobicContact CB-CB 4.37Å; K141-R146 WeakPolarHBondContact O-CB 3.46Å; V142-R146 PolarHBondContact O-N 3.13Å; G143-R146 PolarHBondContact O-N 3.25Å; D144-R146 VanDerWaalsContact C-N 3.31Å; D144-R146 PolarHBondContact O-N 3.02Å; R146-A149 PolarHBondContact O-N 2.87Å; R146-T150 WeakPolarHBondContact O-CB 3.48Å; R146-T150 PolarHBondContact O-N 2.91Å; R146-T150 PolarHBondContact O-OG1 3.2Å |
| 147 | K | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | -179.5 | -176.9 | -177.9 | 171 | -173.3 | 0 | 110.6 | G143 D144 A149 T150 E151 | G143-K147 PolarHBondContact O-N 3.14Å; G143-K147 VanDerWaalsContact O-N 3.15Å; D144-K147 WeakPolarHBondContact O-CB 3.38Å; D144-K147 PolarHBondContact O-N 3.29Å; D144-K147 VanDerWaalsContact O-N 3.15Å; K147-A149 PolarHBondContact O-N 3.22Å; K147-T150 WeakPolarHBondContact O-CB 3.42Å; K147-T150 PolarHBondContact O-N 2.87Å; K147-T150 VanDerWaalsContact O-N 3.17Å; K147-E151 WeakPolarHBondContact CE-OE1 3.36Å; K147-E151 WeakPolarHBondContact O-CG 3.29Å; K147-E151 PolarHBondContact O-N 3.18Å |
| 148 | T | 98.7 | Very high | 98.4 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 44% | 0.436 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 176.2 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | D144 T150 E151 D152 | D144-T148 PolarHBondContact O-N 3.38Å; D144-T148 PolarHBondContact O-OG1 3.31Å; T148-T150 VanDerWaalsContact C-N 3.26Å; T148-T150 PolarHBondContact O-N 3.27Å; T148-E151 PolarHBondContact O-N 2.93Å; T148-D152 WeakPolarHBondContact O-CB 3.46Å; T148-D152 PolarHBondContact O-N 3.17Å |
| 149 | A | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L137 A138 E145 R146 K147 T153 | L137-A149 HydrophobicContact CB-CB 3.94Å; A138-A149 HydrophobicContact CB-CB 3.97Å; E145-A149 WeakPolarHBondContact O-CB 3.16Å; E145-A149 PolarHBondContact O-N 2.94Å; R146-A149 PolarHBondContact O-N 2.87Å; K147-A149 PolarHBondContact O-N 3.22Å; A149-T153 WeakPolarHBondContact O-CB 3.4Å; A149-T153 PolarHBondContact O-N 2.97Å; A149-T153 PolarHBondContact O-OG1 2.58Å |
| 150 | T | 98.7 | Very high | 98.5 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | R146 K147 T148 T153 M154 F185 I189 L190 | R146-T150 WeakPolarHBondContact O-CB 3.48Å; R146-T150 PolarHBondContact O-N 2.91Å; R146-T150 PolarHBondContact O-OG1 3.2Å; K147-T150 WeakPolarHBondContact O-CB 3.42Å; K147-T150 PolarHBondContact O-N 2.87Å; K147-T150 VanDerWaalsContact O-N 3.17Å; T148-T150 VanDerWaalsContact C-N 3.26Å; T148-T150 PolarHBondContact O-N 3.27Å; T150-T153 PolarHBondContact O-N 3.22Å; T150-M154 PolarHBondContact O-N 3.46Å; T150-M154 VanDerWaalsContact O-N 3.1Å; T150-F185 HydrophobicContact CG2-CE2 4.01Å; T150-F185 HydrophobicContact CG2-CZ 3.8Å; T150-F185 WeakPolarHBondContact O-CZ 3.44Å; T150-I189 HydrophobicContact CG2-CG2 4.22Å; T150-L190 HydrophobicContact CG2-CD2 3.49Å; T150-L190 VanDerWaalsContact CG2-CD2 3.49Å |
| 151 | E | 98.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177 | -72.2 | 171.5 | 176.7 | 0 | 0 | 111.2 | K147 T148 T153 M154 L155 | K147-E151 WeakPolarHBondContact CE-OE1 3.36Å; K147-E151 WeakPolarHBondContact O-CG 3.29Å; K147-E151 PolarHBondContact O-N 3.18Å; T148-E151 PolarHBondContact O-N 2.93Å; E151-T153 VanDerWaalsContact C-N 3.34Å; E151-T153 PolarHBondContact O-N 2.98Å; E151-M154 WeakPolarHBondContact O-CB 3.33Å; E151-M154 PolarHBondContact O-N 2.98Å; E151-L155 WeakPolarHBondContact O-CG 3.28Å; E151-L155 PolarHBondContact O-N 3.49Å |
| 152 | D | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 178.5 | -70.3 | -24 | 0 | 0 | 0 | 112.7 | H134 T148 L155 S156 | H134-D152 HydrophobicContact CB-CB 4.17Å; H134-D152 VanDerWaalsContact CE1-CB 3.49Å; H134-D152 WeakPolarHBondContact CE1-CB 3.43Å; H134-D152 IonicContact CE1-OD2 3.56Å; H134-D152 PolarHBondContact CE1-OD2 3.43Å; H134-D152 VanDerWaalsContact CE1-OD2 3.29Å; H134-D152 WeakPolarHBondContact ND1-CB 3.41Å; H134-D152 IonicContact ND1-OD2 3.5Å; T148-D152 WeakPolarHBondContact O-CB 3.46Å; T148-D152 PolarHBondContact O-N 3.17Å; D152-L155 PolarHBondContact O-N 3.24Å; D152-S156 WeakPolarHBondContact O-CB 3.47Å; D152-S156 PolarHBondContact O-N 3.03Å; D152-S156 PolarHBondContact O-OG 2.92Å |
| 153 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 172 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | H134 R135 A149 T150 E151 L155 S156 Y157 F185 | H134-T153 VanDerWaalsContact CB-OG1 3.26Å; H134-T153 WeakPolarHBondContact CB-OG1 3Å; R135-T153 WeakPolarHBondContact CA-OG1 3.1Å; R135-T153 HydrophobicContact CB-CG2 3.83Å; R135-T153 HydrophobicContact CG-CG2 4.49Å; R135-T153 PolarHBondContact N-OG1 3.48Å; A149-T153 WeakPolarHBondContact O-CB 3.4Å; A149-T153 PolarHBondContact O-N 2.97Å; A149-T153 PolarHBondContact O-OG1 2.58Å; T150-T153 PolarHBondContact O-N 3.22Å; E151-T153 VanDerWaalsContact C-N 3.34Å; E151-T153 PolarHBondContact O-N 2.98Å; T153-L155 PolarHBondContact O-N 2.97Å; T153-S156 PolarHBondContact O-N 3.44Å; T153-Y157 HydrophobicContact CG2-CD2 3.63Å; T153-Y157 HydrophobicContact CG2-CE2 3.43Å; T153-Y157 VanDerWaalsContact CG2-CE2 3.43Å; T153-Y157 PolarHBondContact O-N 3.49Å; T153-F185 HydrophobicContact CG2-CB 4.45Å; T153-F185 HydrophobicContact CG2-CD1 4.01Å; T153-F185 HydrophobicContact CG2-CD2 3.46Å; T153-F185 VanDerWaalsContact CG2-CD2 3.46Å; T153-F185 HydrophobicContact CG2-CE1 4.01Å; T153-F185 HydrophobicContact CG2-CE2 3.51Å; T153-F185 HydrophobicContact CG2-CG 3.71Å; T153-F185 HydrophobicContact CG2-CZ 3.79Å |
| 154 | M | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | -179.5 | -178.9 | 64 | 80.6 | 0 | 0 | 111.8 | T150 E151 K158 F182 F185 Y186 L190 | T150-M154 PolarHBondContact O-N 3.46Å; T150-M154 VanDerWaalsContact O-N 3.1Å; E151-M154 WeakPolarHBondContact O-CB 3.33Å; E151-M154 PolarHBondContact O-N 2.98Å; M154-K158 HydrophobicContact CG-CD 4.09Å; M154-K158 WeakPolarHBondContact O-CB 3.08Å; M154-K158 VanDerWaalsContact O-CG 3.31Å; M154-K158 WeakPolarHBondContact O-CG 3.22Å; M154-K158 PolarHBondContact O-N 3.21Å; M154-K158 HydrophobicContact SD-CD 4.03Å; M154-K158 WeakPolarHBondContact SD-CE 3.29Å; M154-K158 HydrophobicContact SD-CG 4.19Å; M154-F182 HydrophobicContact SD-CE2 3.83Å; M154-F182 HydrophobicContact SD-CZ 3.74Å; M154-F185 HydrophobicContact CB-CE1 4.12Å; M154-F185 HydrophobicContact CB-CZ 4.35Å; M154-F185 HydrophobicContact CE-CE1 3.72Å; M154-F185 HydrophobicContact SD-CE1 4.28Å; M154-Y186 HydrophobicContact CE-CE1 3.93Å; M154-L190 HydrophobicContact CE-CD1 3.53Å |
| 155 | L | 98.8 | Very high | 98.6 | Very high | 114 Ų | 114 | 53.8 Ų | 53.8 | 60% | 0.597 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.4 | -47.5 | 177.7 | -72.6 | 172.2 | 0 | 0 | 0 | 111.4 | E151 D152 T153 K158 A159 | E151-L155 WeakPolarHBondContact O-CG 3.28Å; E151-L155 PolarHBondContact O-N 3.49Å; D152-L155 PolarHBondContact O-N 3.24Å; T153-L155 PolarHBondContact O-N 2.97Å; L155-K158 PolarHBondContact O-N 3.14Å; L155-A159 WeakPolarHBondContact O-CB 3.36Å; L155-A159 PolarHBondContact O-N 2.79Å |
| 156 | S | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 52 Ų | 52 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | -177.7 | -57 | 0 | 0 | 0 | 0 | 111.9 | K130 D152 T153 A159 A160 | K130-S156 WeakPolarHBondContact CG-OG 3.43Å; D152-S156 WeakPolarHBondContact O-CB 3.47Å; D152-S156 PolarHBondContact O-N 3.03Å; D152-S156 PolarHBondContact O-OG 2.92Å; T153-S156 PolarHBondContact O-N 3.44Å; S156-A159 PolarHBondContact O-N 2.67Å; S156-A160 WeakPolarHBondContact O-CB 3.5Å; S156-A160 PolarHBondContact O-N 3.1Å |
| 157 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 177.8 | -72.7 | -30.4 | 0 | 0 | 0 | 113.5 | K128 D132 R135 T153 A160 Q161 L178 N181 F182 F185 | K128-Y157 HydrophobicContact CG-CE1 4.45Å; K128-Y157 WeakPolarHBondContact O-CE1 3.49Å; D132-Y157 PolarHBondContact OD1-OH 3.15Å; R135-Y157 PolarHBondContact NE-OH 3.45Å; R135-Y157 VanDerWaalsContact NE-OH 3.07Å; T153-Y157 HydrophobicContact CG2-CD2 3.63Å; T153-Y157 HydrophobicContact CG2-CE2 3.43Å; T153-Y157 VanDerWaalsContact CG2-CE2 3.43Å; T153-Y157 PolarHBondContact O-N 3.49Å; Y157-A160 PolarHBondContact O-N 2.81Å; Y157-Q161 VanDerWaalsContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CB 3.07Å; Y157-Q161 PolarHBondContact O-N 3.47Å; Y157-L178 HydrophobicContact CD1-CD1 3.62Å; Y157-L178 HydrophobicContact CE1-CD1 4.26Å; Y157-L178 HydrophobicContact CG-CD1 4.28Å; Y157-N181 PolarHBondContact OH-O 3.27Å; Y157-F182 HydrophobicContact CD2-CB 4Å; Y157-F182 AromaticContact CD2-CD2 3.35Å; Y157-F182 HydrophobicContact CD2-CD2 3.35Å; Y157-F182 AromaticContact CD2-CE2 3.87Å; Y157-F182 HydrophobicContact CD2-CE2 3.87Å; Y157-F182 AromaticContact CD2-CG 3.74Å; Y157-F182 HydrophobicContact CD2-CG 3.74Å; Y157-F182 HydrophobicContact CE2-CB 4.34Å; Y157-F182 HydrophobicContact CE2-CD2 4.15Å; Y157-F182 HydrophobicContact CG-CB 4.17Å; Y157-F182 HydrophobicContact CG-CD1 4.33Å; Y157-F182 AromaticContact CG-CD2 3.92Å; Y157-F182 HydrophobicContact CG-CD2 3.92Å; Y157-F182 HydrophobicContact CG-CE2 4.33Å; Y157-F182 AromaticContact CG-CG 3.92Å; Y157-F182 HydrophobicContact CG-CG 3.92Å; Y157-F185 HydrophobicContact CD2-CB 4.37Å; Y157-F185 HydrophobicContact CD2-CD1 4.25Å; Y157-F185 HydrophobicContact CD2-CG 4.45Å; Y157-F185 HydrophobicContact CE2-CB 3.82Å; Y157-F185 HydrophobicContact CE2-CD1 4.45Å; Y157-F185 HydrophobicContact CE2-CG 4.19Å |
| 158 | K | 98.7 | Very high | 98.5 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 46% | 0.457 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 174.2 | -78.1 | 179 | 170.9 | 175.5 | 0 | 111.6 | M154 L155 A160 Q161 D162 F182 | M154-K158 HydrophobicContact CG-CD 4.09Å; M154-K158 WeakPolarHBondContact O-CB 3.08Å; M154-K158 VanDerWaalsContact O-CG 3.31Å; M154-K158 WeakPolarHBondContact O-CG 3.22Å; M154-K158 PolarHBondContact O-N 3.21Å; M154-K158 HydrophobicContact SD-CD 4.03Å; M154-K158 WeakPolarHBondContact SD-CE 3.29Å; M154-K158 HydrophobicContact SD-CG 4.19Å; L155-K158 PolarHBondContact O-N 3.14Å; K158-A160 VanDerWaalsContact C-N 3.3Å; K158-A160 PolarHBondContact O-N 2.89Å; K158-Q161 PolarHBondContact O-N 3.4Å; K158-Q161 VanDerWaalsContact O-N 3.09Å; K158-D162 VanDerWaalsContact O-CG 3.28Å; K158-D162 PolarHBondContact O-N 3.16Å; K158-F182 HydrophobicContact CG-CE1 4.42Å; K158-F182 HydrophobicContact CG-CZ 4.12Å |
| 159 | A | 98.7 | Very high | 98.4 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L127 L155 S156 I163 | L127-A159 HydrophobicContact CD1-CB 4.07Å; L127-A159 HydrophobicContact CD2-CB 4.45Å; L155-A159 WeakPolarHBondContact O-CB 3.36Å; L155-A159 PolarHBondContact O-N 2.79Å; S156-A159 PolarHBondContact O-N 2.67Å; A159-I163 WeakPolarHBondContact O-CG1 3.46Å; A159-I163 PolarHBondContact O-N 3.44Å |
| 160 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V124 L127 S156 Y157 K158 A164 L178 | V124-A160 HydrophobicContact CG1-CB 4.33Å; L127-A160 HydrophobicContact CB-CB 3.72Å; S156-A160 WeakPolarHBondContact O-CB 3.5Å; S156-A160 PolarHBondContact O-N 3.1Å; Y157-A160 PolarHBondContact O-N 2.81Å; K158-A160 VanDerWaalsContact C-N 3.3Å; K158-A160 PolarHBondContact O-N 2.89Å; A160-A164 VanDerWaalsContact O-CB 3.23Å; A160-A164 WeakPolarHBondContact O-CB 3.29Å; A160-A164 PolarHBondContact O-N 2.82Å; A160-L178 HydrophobicContact CB-CD1 3.83Å; A160-L178 HydrophobicContact CB-CD2 3.65Å; A160-L178 HydrophobicContact CB-CG 4.4Å |
| 161 | Q | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | -177.4 | -176.1 | 67.7 | 62.4 | 0 | 0 | 111.6 | Y157 K158 I163 A164 S165 L178 | Y157-Q161 VanDerWaalsContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CB 3.07Å; Y157-Q161 PolarHBondContact O-N 3.47Å; K158-Q161 PolarHBondContact O-N 3.4Å; K158-Q161 VanDerWaalsContact O-N 3.09Å; Q161-I163 VanDerWaalsContact C-N 3.32Å; Q161-I163 PolarHBondContact O-N 2.97Å; Q161-A164 PolarHBondContact O-N 3.32Å; Q161-S165 PolarHBondContact NE2-OG 2.66Å; Q161-S165 VanDerWaalsContact O-CB 3.32Å; Q161-S165 WeakPolarHBondContact O-CB 3.47Å; Q161-S165 PolarHBondContact O-N 3.3Å; Q161-S165 PolarHBondContact O-OG 3.43Å; Q161-L178 HydrophobicContact CB-CD2 4.09Å |
| 162 | D | 98.5 | Very high | 98.2 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 62% | 0.615 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.1 | -44.1 | 179.4 | -68.5 | -19.3 | 0 | 0 | 0 | 111 | K158 A166 | K158-D162 VanDerWaalsContact O-CG 3.28Å; K158-D162 PolarHBondContact O-N 3.16Å; D162-A166 WeakPolarHBondContact O-CB 3.43Å; D162-A166 PolarHBondContact O-N 2.9Å |
| 163 | I | 98.7 | Very high | 98.1 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.8 | -45.6 | 176.1 | -58.6 | 170.1 | 0 | 0 | 0 | 110.5 | K123 V124 L127 A159 Q161 S165 A166 D167 | K123-I163 HydrophobicContact CB-CD1 4.02Å; K123-I163 HydrophobicContact CD-CD1 4.41Å; V124-I163 HydrophobicContact CG2-CB 3.79Å; V124-I163 HydrophobicContact CG2-CG2 3.58Å; L127-I163 HydrophobicContact CD1-CD1 3.82Å; A159-I163 WeakPolarHBondContact O-CG1 3.46Å; A159-I163 PolarHBondContact O-N 3.44Å; Q161-I163 VanDerWaalsContact C-N 3.32Å; Q161-I163 PolarHBondContact O-N 2.97Å; I163-S165 VanDerWaalsContact C-N 3.34Å; I163-S165 PolarHBondContact O-N 3.35Å; I163-A166 PolarHBondContact O-N 2.86Å; I163-D167 WeakPolarHBondContact O-CB 3.25Å; I163-D167 PolarHBondContact O-N 3.45Å |
| 164 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V124 A160 Q161 A166 L168 R175 L178 | V124-A164 HydrophobicContact CG1-CB 3.88Å; V124-A164 HydrophobicContact CG2-CB 3.93Å; A160-A164 VanDerWaalsContact O-CB 3.23Å; A160-A164 WeakPolarHBondContact O-CB 3.29Å; A160-A164 PolarHBondContact O-N 2.82Å; Q161-A164 PolarHBondContact O-N 3.32Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 3.16Å; A164-L168 HydrophobicContact CB-CD1 4.24Å; A164-L168 WeakPolarHBondContact O-CB 3.46Å; A164-L168 PolarHBondContact O-N 2.99Å; A164-R175 HydrophobicContact CB-CB 4.3Å; A164-R175 HydrophobicContact CB-CG 4.16Å; A164-L178 HydrophobicContact CB-CD2 4.09Å |
| 165 | S | 97.7 | Very high | 98 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 178 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | Q161 I163 | Q161-S165 PolarHBondContact NE2-OG 2.66Å; Q161-S165 VanDerWaalsContact O-CB 3.32Å; Q161-S165 WeakPolarHBondContact O-CB 3.47Å; Q161-S165 PolarHBondContact O-N 3.3Å; Q161-S165 PolarHBondContact O-OG 3.43Å; I163-S165 VanDerWaalsContact C-N 3.34Å; I163-S165 PolarHBondContact O-N 3.35Å |
| 166 | A | 97.9 | Very high | 98 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -82.1 | -41.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D162 I163 A164 | D162-A166 WeakPolarHBondContact O-CB 3.43Å; D162-A166 PolarHBondContact O-N 2.9Å; I163-A166 PolarHBondContact O-N 2.86Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 3.16Å |
| 167 | D | 98.1 | Very high | 98 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -115.1 | -14.8 | -162.6 | -62.9 | -13 | 0 | 0 | 0 | 114.2 | S120 I163 | S120-D167 VanDerWaalsContact CB-OD2 3.22Å; S120-D167 WeakPolarHBondContact CB-OD2 3.16Å; S120-D167 PolarHBondContact OG-OD2 3.42Å; I163-D167 WeakPolarHBondContact O-CB 3.25Å; I163-D167 PolarHBondContact O-N 3.45Å |
| 168 | L | 97.2 | Very high | 98 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -117.3 | 134.9 | -176.9 | -54.8 | -178.9 | 0 | 0 | 0 | 111.3 | V124 A164 H172 R175 | V124-L168 HydrophobicContact CB-CD1 4.15Å; V124-L168 HydrophobicContact CG1-CD1 4.23Å; V124-L168 HydrophobicContact CG2-CD1 3.93Å; A164-L168 HydrophobicContact CB-CD1 4.24Å; A164-L168 WeakPolarHBondContact O-CB 3.46Å; A164-L168 PolarHBondContact O-N 2.99Å; L168-H172 HydrophobicContact CB-CB 4.04Å; L168-R175 HydrophobicContact CB-CB 4.3Å; L168-R175 HydrophobicContact CD1-CB 4.43Å; L168-R175 PolarHBondContact O-NH1 2.74Å |
| 169 | P | 96.4 | Very high | 98 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | trans | -63.9 | 152.7 | 176.5 | 26.5 | -32.9 | 0 | 0 | 0 | 111 | T171 H172 R175 | P169-T171 PolarHBondContact O-N 3.08Å; P169-T171 VanDerWaalsContact O-N 3.08Å; P169-H172 HydrophobicContact CG-CB 4.04Å; P169-H172 WeakPolarHBondContact O-CB 3.28Å; P169-H172 PolarHBondContact O-N 2.9Å; P169-R175 WeakPolarHBondContact O-CD 3.14Å | ||
| 170 | P | 97.2 | Very high | 98 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.8 | 177.8 | -28.2 | 35.5 | 0 | 0 | 0 | 114.8 | H172 L176 E206 E210 | P170-H172 VanDerWaalsContact C-N 3.31Å; P170-H172 PolarHBondContact O-N 3.44Å; P170-L176 WeakPolarHBondContact O-CG 3.47Å; P170-E206 HydrophobicContact CB-CB 3.83Å; P170-E206 HydrophobicContact CG-CB 4.28Å; P170-E210 WeakPolarHBondContact CD-OE2 3.39Å |
| 171 | T | 96.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.9 | 178.3 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | P169 A207 E210 S222 | P169-T171 PolarHBondContact O-N 3.08Å; P169-T171 VanDerWaalsContact O-N 3.08Å; T171-A207 HydrophobicContact CG2-CB 4.46Å; T171-A207 WeakPolarHBondContact CG2-O 3.26Å; T171-E210 HydrophobicContact CG2-CB 3.85Å; T171-S222 WeakPolarHBondContact O-CB 3.3Å; T171-S222 PolarHBondContact O-OG 3.45Å |
| 172 | H | 96.6 | Very high | 98 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | trans | -67.3 | 127.8 | -177.2 | -165 | -77 | 0 | 0 | 0 | 111.5 | L168 P169 P170 I174 R175 L176 | L168-H172 HydrophobicContact CB-CB 4.04Å; P169-H172 HydrophobicContact CG-CB 4.04Å; P169-H172 WeakPolarHBondContact O-CB 3.28Å; P169-H172 PolarHBondContact O-N 2.9Å; P170-H172 VanDerWaalsContact C-N 3.31Å; P170-H172 PolarHBondContact O-N 3.44Å; H172-I174 VanDerWaalsContact C-N 3.28Å; H172-I174 PolarHBondContact ND1-N 2.84Å; H172-I174 PolarHBondContact O-N 2.92Å; H172-I174 VanDerWaalsContact O-N 3.15Å; H172-R175 HydrophobicContact CB-CB 4.19Å; H172-R175 PolarHBondContact O-N 3.16Å; H172-L176 PolarHBondContact O-N 3.01Å | ||
| 173 | P | 96.8 | Very high | 98 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.1 | -40.3 | -176.4 | -27 | 31.7 | 0 | 0 | 0 | 114 | G177 D221 S222 I225 | P173-G177 PolarHBondContact O-N 3.31Å; P173-D221 HydrophobicContact CB-CB 4.16Å; P173-D221 HydrophobicContact CG-CB 4.07Å; P173-S222 WeakPolarHBondContact CD-OG 3.31Å; P173-S222 WeakPolarHBondContact CG-OG 3.31Å; P173-I225 HydrophobicContact CB-CD1 4.09Å; P173-I225 VanDerWaalsContact O-CD1 3.26Å; P173-I225 WeakPolarHBondContact O-CD1 3.49Å |
| 174 | I | 97.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 24.7 Ų | 24.7 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 178.8 | -65.3 | 172.4 | 0 | 0 | 0 | 112.5 | E121 V124 F125 H172 G177 L178 | E121-I174 HydrophobicContact CG-CD1 3.35Å; E121-I174 WeakPolarHBondContact OE1-CD1 3.47Å; V124-I174 HydrophobicContact CB-CG2 4.02Å; V124-I174 HydrophobicContact CG1-CG2 3.55Å; F125-I174 HydrophobicContact CB-CD1 4.26Å; F125-I174 HydrophobicContact CD2-CD1 3.8Å; F125-I174 HydrophobicContact CD2-CG1 4.21Å; H172-I174 VanDerWaalsContact C-N 3.28Å; H172-I174 PolarHBondContact ND1-N 2.84Å; H172-I174 PolarHBondContact O-N 2.92Å; H172-I174 VanDerWaalsContact O-N 3.15Å; I174-G177 PolarHBondContact O-N 3.46Å; I174-L178 WeakPolarHBondContact O-CB 3.5Å; I174-L178 PolarHBondContact O-N 3.29Å |
| 175 | R | 98.3 | Very high | 97.9 | Very high | 30 Ų | 30 | 24.7 Ų | 24.7 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.9 | -45.7 | 176.5 | 176.2 | 175.3 | 168.1 | 167.2 | -3.8 | 110.5 | A164 L168 P169 H172 G177 L178 A179 E206 | A164-R175 HydrophobicContact CB-CB 4.3Å; A164-R175 HydrophobicContact CB-CG 4.16Å; L168-R175 HydrophobicContact CB-CB 4.3Å; L168-R175 HydrophobicContact CD1-CB 4.43Å; L168-R175 PolarHBondContact O-NH1 2.74Å; P169-R175 WeakPolarHBondContact O-CD 3.14Å; H172-R175 HydrophobicContact CB-CB 4.19Å; H172-R175 PolarHBondContact O-N 3.16Å; R175-G177 PolarHBondContact O-N 3.1Å; R175-L178 WeakPolarHBondContact O-CB 3.39Å; R175-L178 PolarHBondContact O-N 3.21Å; R175-A179 PolarHBondContact O-N 3.35Å; R175-E206 IonicContact CZ-OE2 3.84Å; R175-E206 IonicContact NH2-OE2 2.77Å; R175-E206 PolarHBondContact NH2-OE2 3.31Å |
| 176 | L | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 174 | -75.6 | 170.8 | 0 | 0 | 0 | 111.8 | P170 H172 L178 A179 L180 A207 I225 M226 L229 | P170-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 3.01Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.29Å; L176-A179 PolarHBondContact O-N 3.36Å; L176-L180 PolarHBondContact O-N 3.39Å; L176-A207 HydrophobicContact CD1-CB 4.44Å; L176-A207 HydrophobicContact CD2-CB 3.74Å; L176-I225 HydrophobicContact CB-CB 4.16Å; L176-I225 HydrophobicContact CB-CD1 4.42Å; L176-I225 HydrophobicContact CB-CG2 3.63Å; L176-M226 HydrophobicContact CD1-CG 3.97Å; L176-M226 HydrophobicContact CD1-SD 4.43Å; L176-M226 HydrophobicContact CD2-CG 4.1Å; L176-L229 HydrophobicContact CD2-CD1 3.95Å |
| 177 | G | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -34 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | K128 P173 I174 R175 N181 | K128-G177 WeakPolarHBondContact CE-O 3.24Å; P173-G177 PolarHBondContact O-N 3.31Å; I174-G177 PolarHBondContact O-N 3.46Å; R175-G177 PolarHBondContact O-N 3.1Å; G177-N181 PolarHBondContact O-N 3.1Å; G177-N181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.7 | -50.1 | 171.5 | 172.4 | 64 | 0 | 0 | 0 | 110.9 | V124 K128 Y157 A160 Q161 A164 I174 R175 L176 L180 N181 F182 | V124-L178 HydrophobicContact CG1-CD2 4.2Å; K128-L178 HydrophobicContact CB-CD1 4.09Å; K128-L178 HydrophobicContact CD-CB 4.12Å; K128-L178 HydrophobicContact CG-CB 4.32Å; K128-L178 HydrophobicContact CG-CD1 3.99Å; Y157-L178 HydrophobicContact CD1-CD1 3.62Å; Y157-L178 HydrophobicContact CE1-CD1 4.26Å; Y157-L178 HydrophobicContact CG-CD1 4.28Å; A160-L178 HydrophobicContact CB-CD1 3.83Å; A160-L178 HydrophobicContact CB-CD2 3.65Å; A160-L178 HydrophobicContact CB-CG 4.4Å; Q161-L178 HydrophobicContact CB-CD2 4.09Å; A164-L178 HydrophobicContact CB-CD2 4.09Å; I174-L178 WeakPolarHBondContact O-CB 3.5Å; I174-L178 PolarHBondContact O-N 3.29Å; R175-L178 WeakPolarHBondContact O-CB 3.39Å; R175-L178 PolarHBondContact O-N 3.21Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.29Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 2.95Å; L178-N181 PolarHBondContact O-N 2.91Å; L178-F182 WeakPolarHBondContact O-CB 3.38Å; L178-F182 PolarHBondContact O-N 2.85Å |
| 179 | A | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 5% | 0.05 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R175 L176 S183 A203 | R175-A179 PolarHBondContact O-N 3.35Å; L176-A179 PolarHBondContact O-N 3.36Å; A179-S183 VanDerWaalsContact O-CB 3.29Å; A179-S183 WeakPolarHBondContact O-CB 3.39Å; A179-S183 PolarHBondContact O-N 3.37Å; A179-S183 PolarHBondContact O-OG 2.91Å; A179-A203 HydrophobicContact CB-CB 3.47Å; A179-A203 VanDerWaalsContact CB-CB 3.47Å |
| 180 | L | 98.7 | Very high | 98 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 10% | 0.099 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -52 | 174.4 | 177.5 | 65 | 0 | 0 | 0 | 111.2 | L176 L178 S183 V184 I225 L228 L229 N232 | L176-L180 PolarHBondContact O-N 3.39Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 2.95Å; L180-S183 PolarHBondContact O-OG 2.81Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.45Å; L180-V184 PolarHBondContact O-N 3.42Å; L180-V184 VanDerWaalsContact O-N 3.16Å; L180-I225 HydrophobicContact CB-CG2 4.28Å; L180-I225 HydrophobicContact CD2-CG2 4.16Å; L180-L228 HydrophobicContact CD1-CB 4.08Å; L180-L228 HydrophobicContact CD2-CB 3.92Å; L180-L228 HydrophobicContact CD2-CD1 3.89Å; L180-L229 HydrophobicContact CB-CD2 3.92Å; L180-L229 HydrophobicContact CB-CG 4.26Å; L180-L229 HydrophobicContact CD1-CD2 3.95Å; L180-L229 HydrophobicContact CD1-CG 4.17Å; L180-N232 VanDerWaalsContact CD1-ND2 3.28Å; L180-N232 WeakPolarHBondContact CD1-ND2 3.22Å |
| 181 | N | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 27.1 Ų | 27.1 | 16% | 0.16 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.6 | -29.9 | -175.4 | -73 | 5.5 | 0 | 0 | 0 | 113 | K128 D132 Y157 G177 L178 F185 | K128-N181 PolarHBondContact NZ-ND2 3.41Å; D132-N181 WeakPolarHBondContact OD1-CB 3.24Å; D132-N181 PolarHBondContact OD1-ND2 3.09Å; D132-N181 PolarHBondContact OD2-ND2 3.22Å; Y157-N181 PolarHBondContact OH-O 3.27Å; G177-N181 PolarHBondContact O-N 3.1Å; G177-N181 VanDerWaalsContact O-N 3.09Å; L178-N181 PolarHBondContact O-N 2.91Å; N181-F185 PolarHBondContact O-N 2.92Å; N181-F185 VanDerWaalsContact O-N 3.15Å |
| 182 | F | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.7 | -37.3 | 176.7 | -164.2 | -177.7 | 0 | 0 | 0 | 111.4 | M154 Y157 K158 L178 F185 Y186 M199 | M154-F182 HydrophobicContact SD-CE2 3.83Å; M154-F182 HydrophobicContact SD-CZ 3.74Å; Y157-F182 HydrophobicContact CD2-CB 4Å; Y157-F182 AromaticContact CD2-CD2 3.35Å; Y157-F182 HydrophobicContact CD2-CD2 3.35Å; Y157-F182 AromaticContact CD2-CE2 3.87Å; Y157-F182 HydrophobicContact CD2-CE2 3.87Å; Y157-F182 AromaticContact CD2-CG 3.74Å; Y157-F182 HydrophobicContact CD2-CG 3.74Å; Y157-F182 HydrophobicContact CE2-CB 4.34Å; Y157-F182 HydrophobicContact CE2-CD2 4.15Å; Y157-F182 HydrophobicContact CG-CB 4.17Å; Y157-F182 HydrophobicContact CG-CD1 4.33Å; Y157-F182 AromaticContact CG-CD2 3.92Å; Y157-F182 HydrophobicContact CG-CD2 3.92Å; Y157-F182 HydrophobicContact CG-CE2 4.33Å; Y157-F182 AromaticContact CG-CG 3.92Å; Y157-F182 HydrophobicContact CG-CG 3.92Å; K158-F182 HydrophobicContact CG-CE1 4.42Å; K158-F182 HydrophobicContact CG-CZ 4.12Å; L178-F182 WeakPolarHBondContact O-CB 3.38Å; L178-F182 PolarHBondContact O-N 2.85Å; F182-F185 HydrophobicContact CD2-CB 4.46Å; F182-F185 AromaticContact CD2-CD1 3.87Å; F182-F185 HydrophobicContact CD2-CD1 3.87Å; F182-F185 AromaticContact CE2-CD1 3.82Å; F182-F185 HydrophobicContact CE2-CD1 3.82Å; F182-F185 HydrophobicContact CE2-CE1 4.27Å; F182-F185 WeakPolarHBondContact O-CB 3.25Å; F182-F185 PolarHBondContact O-N 2.86Å; F182-Y186 AromaticContact CD2-CD2 3.96Å; F182-Y186 HydrophobicContact CD2-CD2 3.96Å; F182-Y186 AromaticContact CD2-CE2 3.62Å; F182-Y186 HydrophobicContact CD2-CE2 3.62Å; F182-Y186 HydrophobicContact CE1-CE2 4.4Å; F182-Y186 HydrophobicContact CE2-CD2 4.13Å; F182-Y186 AromaticContact CE2-CE2 3.4Å; F182-Y186 HydrophobicContact CE2-CE2 3.4Å; F182-Y186 AromaticContact CE2-CZ 3.78Å; F182-Y186 HydrophobicContact CG-CE2 4.23Å; F182-Y186 AromaticContact CZ-CE2 3.84Å; F182-Y186 HydrophobicContact CZ-CE2 3.84Å; F182-Y186 VanDerWaalsContact O-CD2 3.29Å; F182-Y186 WeakPolarHBondContact O-CD2 3.25Å; F182-Y186 PolarHBondContact O-N 2.81Å; F182-Y186 VanDerWaalsContact O-N 3.1Å; F182-M199 HydrophobicContact CB-SD 3.64Å; F182-M199 HydrophobicContact CD1-CE 3.53Å; F182-M199 HydrophobicContact CD1-SD 3.81Å; F182-M199 HydrophobicContact CD2-SD 4.41Å; F182-M199 HydrophobicContact CE1-CE 3.86Å; F182-M199 HydrophobicContact CG-CE 3.94Å; F182-M199 HydrophobicContact CG-SD 3.67Å |
| 183 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | A179 L180 F185 Y186 Y187 A196 | A179-S183 VanDerWaalsContact O-CB 3.29Å; A179-S183 WeakPolarHBondContact O-CB 3.39Å; A179-S183 PolarHBondContact O-N 3.37Å; A179-S183 PolarHBondContact O-OG 2.91Å; L180-S183 PolarHBondContact O-OG 2.81Å; S183-F185 VanDerWaalsContact C-N 3.28Å; S183-F185 PolarHBondContact O-N 3.44Å; S183-Y186 WeakPolarHBondContact O-CB 3.37Å; S183-Y186 PolarHBondContact O-N 3.17Å; S183-Y186 VanDerWaalsContact O-N 3.16Å; S183-Y187 PolarHBondContact O-N 3.05Å; S183-A196 WeakPolarHBondContact CB-O 3.27Å; S183-A196 VanDerWaalsContact O-CB 3.28Å; S183-A196 WeakPolarHBondContact O-CB 3.25Å |
| 184 | V | 98.3 | Very high | 97.9 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 172.4 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L180 Y187 E188 W236 | L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.45Å; L180-V184 PolarHBondContact O-N 3.42Å; L180-V184 VanDerWaalsContact O-N 3.16Å; V184-Y187 PolarHBondContact O-N 2.97Å; V184-E188 VanDerWaalsContact CG1-CD 3.46Å; V184-E188 HydrophobicContact CG1-CG 3.93Å; V184-E188 WeakPolarHBondContact CG1-OE2 3.35Å; V184-E188 WeakPolarHBondContact O-CB 3.31Å; V184-E188 PolarHBondContact O-N 2.89Å; V184-W236 HydrophobicContact CG2-CH2 4.01Å; V184-W236 HydrophobicContact CG2-CZ2 3.95Å |
| 185 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.4 | 171.1 | -117.2 | 0 | 0 | 0 | 113.1 | R135 T150 T153 M154 Y157 N181 F182 S183 Y187 I189 L190 | R135-F185 HydrophobicContact CG-CD2 4.17Å; T150-F185 HydrophobicContact CG2-CE2 4.01Å; T150-F185 HydrophobicContact CG2-CZ 3.8Å; T150-F185 WeakPolarHBondContact O-CZ 3.44Å; T153-F185 HydrophobicContact CG2-CB 4.45Å; T153-F185 HydrophobicContact CG2-CD1 4.01Å; T153-F185 HydrophobicContact CG2-CD2 3.46Å; T153-F185 VanDerWaalsContact CG2-CD2 3.46Å; T153-F185 HydrophobicContact CG2-CE1 4.01Å; T153-F185 HydrophobicContact CG2-CE2 3.51Å; T153-F185 HydrophobicContact CG2-CG 3.71Å; T153-F185 HydrophobicContact CG2-CZ 3.79Å; M154-F185 HydrophobicContact CB-CE1 4.12Å; M154-F185 HydrophobicContact CB-CZ 4.35Å; M154-F185 HydrophobicContact CE-CE1 3.72Å; M154-F185 HydrophobicContact SD-CE1 4.28Å; Y157-F185 HydrophobicContact CD2-CB 4.37Å; Y157-F185 HydrophobicContact CD2-CD1 4.25Å; Y157-F185 HydrophobicContact CD2-CG 4.45Å; Y157-F185 HydrophobicContact CE2-CB 3.82Å; Y157-F185 HydrophobicContact CE2-CD1 4.45Å; Y157-F185 HydrophobicContact CE2-CG 4.19Å; N181-F185 PolarHBondContact O-N 2.92Å; N181-F185 VanDerWaalsContact O-N 3.15Å; F182-F185 HydrophobicContact CD2-CB 4.46Å; F182-F185 AromaticContact CD2-CD1 3.87Å; F182-F185 HydrophobicContact CD2-CD1 3.87Å; F182-F185 AromaticContact CE2-CD1 3.82Å; F182-F185 HydrophobicContact CE2-CD1 3.82Å; F182-F185 HydrophobicContact CE2-CE1 4.27Å; F182-F185 WeakPolarHBondContact O-CB 3.25Å; F182-F185 PolarHBondContact O-N 2.86Å; S183-F185 VanDerWaalsContact C-N 3.28Å; S183-F185 PolarHBondContact O-N 3.44Å; F185-Y187 VanDerWaalsContact C-N 3.25Å; F185-Y187 PolarHBondContact O-N 3.16Å; F185-I189 HydrophobicContact CD2-CB 3.57Å; F185-I189 HydrophobicContact CD2-CG1 3.74Å; F185-I189 HydrophobicContact CD2-CG2 4.01Å; F185-I189 HydrophobicContact CE2-CB 3.73Å; F185-I189 HydrophobicContact CE2-CG1 4.24Å; F185-I189 HydrophobicContact CE2-CG2 3.63Å; F185-I189 WeakPolarHBondContact O-CB 3.46Å; F185-I189 PolarHBondContact O-N 3.38Å; F185-I189 VanDerWaalsContact O-N 3.08Å; F185-L190 HydrophobicContact CD1-CD1 4.02Å; F185-L190 HydrophobicContact CD1-CG 4.41Å; F185-L190 HydrophobicContact CE1-CD1 3.5Å; F185-L190 VanDerWaalsContact CE1-CD1 3.5Å; F185-L190 HydrophobicContact CE1-CD2 4.47Å; F185-L190 HydrophobicContact CE1-CG 3.95Å; F185-L190 HydrophobicContact CE2-CD2 4.43Å; F185-L190 HydrophobicContact CE2-CG 4.21Å; F185-L190 HydrophobicContact CZ-CD1 3.85Å; F185-L190 HydrophobicContact CZ-CD2 3.97Å; F185-L190 HydrophobicContact CZ-CG 3.82Å; F185-L190 PolarHBondContact O-N 2.9Å |
| 186 | Y | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 37 Ų | 37 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 175.3 | -82.3 | -67.1 | 0 | 0 | 0 | 111.5 | M154 F182 S183 L190 N191 Q192 K195 M199 | M154-Y186 HydrophobicContact CE-CE1 3.93Å; F182-Y186 AromaticContact CD2-CD2 3.96Å; F182-Y186 HydrophobicContact CD2-CD2 3.96Å; F182-Y186 AromaticContact CD2-CE2 3.62Å; F182-Y186 HydrophobicContact CD2-CE2 3.62Å; F182-Y186 HydrophobicContact CE1-CE2 4.4Å; F182-Y186 HydrophobicContact CE2-CD2 4.13Å; F182-Y186 AromaticContact CE2-CE2 3.4Å; F182-Y186 HydrophobicContact CE2-CE2 3.4Å; F182-Y186 AromaticContact CE2-CZ 3.78Å; F182-Y186 HydrophobicContact CG-CE2 4.23Å; F182-Y186 AromaticContact CZ-CE2 3.84Å; F182-Y186 HydrophobicContact CZ-CE2 3.84Å; F182-Y186 VanDerWaalsContact O-CD2 3.29Å; F182-Y186 WeakPolarHBondContact O-CD2 3.25Å; F182-Y186 PolarHBondContact O-N 2.81Å; F182-Y186 VanDerWaalsContact O-N 3.1Å; S183-Y186 WeakPolarHBondContact O-CB 3.37Å; S183-Y186 PolarHBondContact O-N 3.17Å; S183-Y186 VanDerWaalsContact O-N 3.16Å; Y186-L190 HydrophobicContact CD1-CD1 3.63Å; Y186-L190 HydrophobicContact CE1-CD1 3.82Å; Y186-L190 CarbonylContact O-C 3.56Å; Y186-N191 PolarHBondContact O-N 3.32Å; Y186-N191 VanDerWaalsContact O-N 3.17Å; Y186-Q192 HydrophobicContact CD1-CB 4.24Å; Y186-Q192 PolarHBondContact O-N 3.41Å; Y186-K195 HydrophobicContact CD1-CB 3.86Å; Y186-K195 HydrophobicContact CD1-CD 4.01Å; Y186-K195 HydrophobicContact CE1-CB 4.25Å; Y186-K195 HydrophobicContact CE1-CD 3.78Å; Y186-K195 HydrophobicContact CG-CB 4.05Å; Y186-M199 HydrophobicContact CD2-CE 4.24Å; Y186-M199 HydrophobicContact CD2-SD 4.08Å; Y186-M199 HydrophobicContact CE2-CE 3.62Å; Y186-M199 HydrophobicContact CE2-SD 4.03Å |
| 187 | Y | 98.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 38 Ų | 38 | 21% | 0.212 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.1 | -63.1 | 179.9 | -177.2 | -93.2 | 0 | 0 | 0 | 111.9 | S183 V184 F185 N191 W236 D239 | S183-Y187 PolarHBondContact O-N 3.05Å; V184-Y187 PolarHBondContact O-N 2.97Å; F185-Y187 VanDerWaalsContact C-N 3.25Å; F185-Y187 PolarHBondContact O-N 3.16Å; Y187-N191 WeakPolarHBondContact O-CA 3.47Å; Y187-N191 PolarHBondContact O-N 3.16Å; Y187-W236 AromaticContact CD1-CD1 3.83Å; Y187-W236 AromaticContact CD1-CE2 3.92Å; Y187-W236 HydrophobicContact CD1-CZ2 4.43Å; Y187-W236 AromaticContact CD1-NE1 3.36Å; Y187-W236 HydrophobicContact CD2-CB 3.98Å; Y187-W236 AromaticContact CD2-CD1 3.36Å; Y187-W236 AromaticContact CD2-CD2 3.84Å; Y187-W236 HydrophobicContact CD2-CD2 3.84Å; Y187-W236 AromaticContact CD2-CE2 3.94Å; Y187-W236 AromaticContact CD2-CG 3.45Å; Y187-W236 HydrophobicContact CD2-CG 3.45Å; Y187-W236 VanDerWaalsContact CD2-CG 3.45Å; Y187-W236 AromaticContact CD2-NE1 3.64Å; Y187-W236 AromaticContact CE1-CD1 3.67Å; Y187-W236 AromaticContact CE1-NE1 3.52Å; Y187-W236 HydrophobicContact CE2-CB 3.87Å; Y187-W236 AromaticContact CE2-CD1 3.14Å; Y187-W236 HydrophobicContact CE2-CD2 4.37Å; Y187-W236 AromaticContact CE2-CG 3.54Å; Y187-W236 HydrophobicContact CE2-CG 3.54Å; Y187-W236 AromaticContact CE2-NE1 3.77Å; Y187-W236 AromaticContact CG-CD1 3.7Å; Y187-W236 AromaticContact CG-CD2 4Å; Y187-W236 HydrophobicContact CG-CD2 4Å; Y187-W236 AromaticContact CG-CE2 3.63Å; Y187-W236 HydrophobicContact CG-CG 4.01Å; Y187-W236 HydrophobicContact CG-CZ2 4.19Å; Y187-W236 AromaticContact CG-NE1 3.44Å; Y187-W236 AromaticContact CZ-CD1 3.32Å; Y187-W236 AromaticContact CZ-NE1 3.72Å; Y187-D239 PolarHBondContact OH-OD2 2.89Å |
| 188 | E | 96.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.3 | -32.4 | -168.1 | -63.4 | -174.9 | 161.7 | 0 | 0 | 114.2 | R135 V184 | R135-E188 IonicContact NH1-OE2 2.76Å; V184-E188 VanDerWaalsContact CG1-CD 3.46Å; V184-E188 HydrophobicContact CG1-CG 3.93Å; V184-E188 WeakPolarHBondContact CG1-OE2 3.35Å; V184-E188 WeakPolarHBondContact O-CB 3.31Å; V184-E188 PolarHBondContact O-N 2.89Å |
| 189 | I | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 42 Ų | 42 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -42.2 | -171.9 | -54.3 | -57.1 | 0 | 0 | 0 | 112.1 | R135 A138 E139 T150 F185 | R135-I189 HydrophobicContact CG-CG1 4.01Å; A138-I189 HydrophobicContact CB-CD1 4.36Å; A138-I189 HydrophobicContact CB-CG2 3.92Å; E139-I189 HydrophobicContact CG-CD1 3.98Å; T150-I189 HydrophobicContact CG2-CG2 4.22Å; F185-I189 HydrophobicContact CD2-CB 3.57Å; F185-I189 HydrophobicContact CD2-CG1 3.74Å; F185-I189 HydrophobicContact CD2-CG2 4.01Å; F185-I189 HydrophobicContact CE2-CB 3.73Å; F185-I189 HydrophobicContact CE2-CG1 4.24Å; F185-I189 HydrophobicContact CE2-CG2 3.63Å; F185-I189 WeakPolarHBondContact O-CB 3.46Å; F185-I189 PolarHBondContact O-N 3.38Å; F185-I189 VanDerWaalsContact O-N 3.08Å |
| 190 | L | 97.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -11.3 | -178.6 | -61.4 | -179.1 | 0 | 0 | 0 | 113.6 | T150 M154 F185 Y186 Q192 | T150-L190 HydrophobicContact CG2-CD2 3.49Å; T150-L190 VanDerWaalsContact CG2-CD2 3.49Å; M154-L190 HydrophobicContact CE-CD1 3.53Å; F185-L190 HydrophobicContact CD1-CD1 4.02Å; F185-L190 HydrophobicContact CD1-CG 4.41Å; F185-L190 HydrophobicContact CE1-CD1 3.5Å; F185-L190 VanDerWaalsContact CE1-CD1 3.5Å; F185-L190 HydrophobicContact CE1-CD2 4.47Å; F185-L190 HydrophobicContact CE1-CG 3.95Å; F185-L190 HydrophobicContact CE2-CD2 4.43Å; F185-L190 HydrophobicContact CE2-CG 4.21Å; F185-L190 HydrophobicContact CZ-CD1 3.85Å; F185-L190 HydrophobicContact CZ-CD2 3.97Å; F185-L190 HydrophobicContact CZ-CG 3.82Å; F185-L190 PolarHBondContact O-N 2.9Å; Y186-L190 HydrophobicContact CD1-CD1 3.63Å; Y186-L190 HydrophobicContact CE1-CD1 3.82Å; Y186-L190 CarbonylContact O-C 3.56Å; L190-Q192 HydrophobicContact CB-CB 4.36Å; L190-Q192 HydrophobicContact CB-CG 4.11Å; L190-Q192 PolarHBondContact O-N 3.28Å |
| 191 | N | 96.5 | Very high | 97.7 | Very high | 131 Ų | 131 | 46 Ų | 46 | 70% | 0.701 | 23% | 0.234 | S | C | * | . | trans | 53 | 42.6 | -175.2 | -161.8 | 53.1 | 0 | 0 | 0 | 112.3 | Y186 Y187 | Y186-N191 PolarHBondContact O-N 3.32Å; Y186-N191 VanDerWaalsContact O-N 3.17Å; Y187-N191 WeakPolarHBondContact O-CA 3.47Å; Y187-N191 PolarHBondContact O-N 3.16Å | ||
| 192 | Q | 96.9 | Very high | 97.7 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | trans | -116.1 | 67.8 | -178.3 | -71.5 | -177.6 | -12.6 | 0 | 0 | 110.2 | Y186 L190 D194 K195 A196 | Y186-Q192 HydrophobicContact CD1-CB 4.24Å; Y186-Q192 PolarHBondContact O-N 3.41Å; L190-Q192 HydrophobicContact CB-CB 4.36Å; L190-Q192 HydrophobicContact CB-CG 4.11Å; L190-Q192 PolarHBondContact O-N 3.28Å; Q192-D194 VanDerWaalsContact C-N 3.32Å; Q192-D194 PolarHBondContact O-N 2.98Å; Q192-K195 HydrophobicContact CB-CB 4.23Å; Q192-K195 HydrophobicContact CB-CD 4.41Å; Q192-K195 HydrophobicContact CB-CG 4.41Å; Q192-K195 PolarHBondContact O-N 3.02Å; Q192-K195 VanDerWaalsContact O-N 3.1Å; Q192-K195 VanDerWaalsContact OE1-CD 3.32Å; Q192-A196 PolarHBondContact O-N 2.88Å | ||
| 193 | S | 95.9 | Very high | 97.6 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.7 | -42.9 | -177.5 | -52.5 | 0 | 0 | 0 | 0 | 113 | K195 A196 C197 | S193-K195 VanDerWaalsContact C-N 3.3Å; S193-K195 PolarHBondContact O-N 3.19Å; S193-A196 WeakPolarHBondContact O-CB 3.44Å; S193-A196 PolarHBondContact O-N 2.72Å; S193-A196 VanDerWaalsContact O-N 3.16Å; S193-C197 WeakPolarHBondContact O-CB 3.43Å; S193-C197 PolarHBondContact O-N 3.27Å; S193-C197 PolarHBondContact O-SG 2.91Å; S193-C197 VanDerWaalsContact O-SG 3.38Å |
| 194 | D | 95.5 | Very high | 97.6 | Very high | 129 Ų | 129 | 52.3 Ų | 52.3 | 69% | 0.69 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.4 | -42.1 | 177.9 | -66.8 | -24.8 | 0 | 0 | 0 | 112.6 | Q192 A198 | Q192-D194 VanDerWaalsContact C-N 3.32Å; Q192-D194 PolarHBondContact O-N 2.98Å; D194-A198 VanDerWaalsContact O-CB 3.25Å; D194-A198 WeakPolarHBondContact O-CB 3.25Å; D194-A198 PolarHBondContact O-N 3.43Å |
| 195 | K | 97.2 | Very high | 97.5 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.5 | -37.7 | 178.9 | -66.2 | -169.2 | -167.2 | 162.9 | 0 | 111.8 | Y186 Q192 S193 A198 M199 | Y186-K195 HydrophobicContact CD1-CB 3.86Å; Y186-K195 HydrophobicContact CD1-CD 4.01Å; Y186-K195 HydrophobicContact CE1-CB 4.25Å; Y186-K195 HydrophobicContact CE1-CD 3.78Å; Y186-K195 HydrophobicContact CG-CB 4.05Å; Q192-K195 HydrophobicContact CB-CB 4.23Å; Q192-K195 HydrophobicContact CB-CD 4.41Å; Q192-K195 HydrophobicContact CB-CG 4.41Å; Q192-K195 PolarHBondContact O-N 3.02Å; Q192-K195 VanDerWaalsContact O-N 3.1Å; Q192-K195 VanDerWaalsContact OE1-CD 3.32Å; S193-K195 VanDerWaalsContact C-N 3.3Å; S193-K195 PolarHBondContact O-N 3.19Å; K195-A198 PolarHBondContact O-N 2.66Å; K195-M199 VanDerWaalsContact O-CB 3.31Å; K195-M199 WeakPolarHBondContact O-CB 3.31Å; K195-M199 PolarHBondContact O-N 2.91Å |
| 196 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S183 Q192 S193 M199 A200 W236 | S183-A196 WeakPolarHBondContact CB-O 3.27Å; S183-A196 VanDerWaalsContact O-CB 3.28Å; S183-A196 WeakPolarHBondContact O-CB 3.25Å; Q192-A196 PolarHBondContact O-N 2.88Å; S193-A196 WeakPolarHBondContact O-CB 3.44Å; S193-A196 PolarHBondContact O-N 2.72Å; S193-A196 VanDerWaalsContact O-N 3.16Å; A196-M199 PolarHBondContact O-N 3.48Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.96Å; A196-W236 HydrophobicContact CB-CE3 3.89Å; A196-W236 HydrophobicContact CB-CH2 4.46Å; A196-W236 HydrophobicContact CB-CZ3 3.84Å |
| 197 | C | 97.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.142 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -46 | 177.3 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | S193 M199 A200 K201 L233 | S193-C197 WeakPolarHBondContact O-CB 3.43Å; S193-C197 PolarHBondContact O-N 3.27Å; S193-C197 PolarHBondContact O-SG 2.91Å; S193-C197 VanDerWaalsContact O-SG 3.38Å; C197-M199 VanDerWaalsContact C-N 3.32Å; C197-M199 PolarHBondContact O-N 3.47Å; C197-A200 PolarHBondContact O-N 2.84Å; C197-K201 WeakPolarHBondContact O-CB 3.35Å; C197-K201 PolarHBondContact O-N 3.12Å; C197-L233 HydrophobicContact CB-CD2 4.12Å; C197-L233 VanDerWaalsContact O-CD2 3.31Å; C197-L233 WeakPolarHBondContact O-CD2 3.47Å |
| 198 | A | 97.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D194 K195 Q202 | D194-A198 VanDerWaalsContact O-CB 3.25Å; D194-A198 WeakPolarHBondContact O-CB 3.25Å; D194-A198 PolarHBondContact O-N 3.43Å; K195-A198 PolarHBondContact O-N 2.66Å; A198-Q202 VanDerWaalsContact O-CB 3.3Å; A198-Q202 WeakPolarHBondContact O-CB 2.94Å; A198-Q202 PolarHBondContact O-N 3.36Å |
| 199 | M | 98.2 | Very high | 97.3 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 18% | 0.177 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -49.3 | 178.5 | 175.8 | 170.3 | -77.6 | 0 | 0 | 112.4 | F182 Y186 K195 A196 C197 K201 Q202 A203 | F182-M199 HydrophobicContact CB-SD 3.64Å; F182-M199 HydrophobicContact CD1-CE 3.53Å; F182-M199 HydrophobicContact CD1-SD 3.81Å; F182-M199 HydrophobicContact CD2-SD 4.41Å; F182-M199 HydrophobicContact CE1-CE 3.86Å; F182-M199 HydrophobicContact CG-CE 3.94Å; F182-M199 HydrophobicContact CG-SD 3.67Å; Y186-M199 HydrophobicContact CD2-CE 4.24Å; Y186-M199 HydrophobicContact CD2-SD 4.08Å; Y186-M199 HydrophobicContact CE2-CE 3.62Å; Y186-M199 HydrophobicContact CE2-SD 4.03Å; K195-M199 VanDerWaalsContact O-CB 3.31Å; K195-M199 WeakPolarHBondContact O-CB 3.31Å; K195-M199 PolarHBondContact O-N 2.91Å; A196-M199 PolarHBondContact O-N 3.48Å; C197-M199 VanDerWaalsContact C-N 3.32Å; C197-M199 PolarHBondContact O-N 3.47Å; M199-K201 VanDerWaalsContact C-N 3.31Å; M199-K201 PolarHBondContact O-N 3.2Å; M199-Q202 PolarHBondContact O-N 2.76Å; M199-A203 PolarHBondContact O-N 2.96Å |
| 200 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A196 C197 F204 L229 L233 W236 | A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.96Å; C197-A200 PolarHBondContact O-N 2.84Å; A200-F204 VanDerWaalsContact O-CB 3.31Å; A200-F204 WeakPolarHBondContact O-CB 3.47Å; A200-F204 PolarHBondContact O-N 3.36Å; A200-L229 HydrophobicContact CB-CD2 3.87Å; A200-L233 HydrophobicContact CB-CD1 4.27Å; A200-L233 HydrophobicContact CB-CD2 3.79Å; A200-L233 HydrophobicContact CB-CG 3.8Å; A200-W236 HydrophobicContact CB-CZ3 4.22Å |
| 201 | K | 97.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 61.3 Ų | 61.3 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 176.3 | -178 | 177.3 | 175.7 | -180 | 0 | 111.5 | C197 M199 A203 F204 E205 L233 | C197-K201 WeakPolarHBondContact O-CB 3.35Å; C197-K201 PolarHBondContact O-N 3.12Å; M199-K201 VanDerWaalsContact C-N 3.31Å; M199-K201 PolarHBondContact O-N 3.2Å; K201-A203 PolarHBondContact O-N 2.98Å; K201-F204 PolarHBondContact O-N 3.46Å; K201-E205 WeakPolarHBondContact CE-OE1 3.31Å; K201-E205 HydrophobicContact CG-CG 4.31Å; K201-E205 IonicContact NZ-OE1 3.82Å; K201-E205 WeakPolarHBondContact O-CB 3.08Å; K201-E205 WeakPolarHBondContact O-CG 3.48Å; K201-E205 PolarHBondContact O-N 2.78Å; K201-L233 HydrophobicContact CB-CD1 4.22Å; K201-L233 HydrophobicContact CB-CD2 4.07Å |
| 202 | Q | 98.2 | Very high | 96.5 | Very high | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 178.3 | 179.5 | -177.9 | -11.1 | 0 | 0 | 111.2 | A198 M199 F204 E205 E206 | A198-Q202 VanDerWaalsContact O-CB 3.3Å; A198-Q202 WeakPolarHBondContact O-CB 2.94Å; A198-Q202 PolarHBondContact O-N 3.36Å; M199-Q202 PolarHBondContact O-N 2.76Å; Q202-F204 VanDerWaalsContact C-N 3.3Å; Q202-F204 PolarHBondContact O-N 3.01Å; Q202-E205 PolarHBondContact O-N 3.16Å; Q202-E206 HydrophobicContact CG-CG 4.27Å; Q202-E206 VanDerWaalsContact CG-OE1 3.3Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.45Å; Q202-E206 PolarHBondContact NE2-OE1 2.93Å; Q202-E206 WeakPolarHBondContact O-CB 3.37Å; Q202-E206 VanDerWaalsContact O-CG 3.29Å; Q202-E206 WeakPolarHBondContact O-CG 3.25Å; Q202-E206 PolarHBondContact O-N 3.14Å |
| 203 | A | 98.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A179 M199 K201 A207 L229 | A179-A203 HydrophobicContact CB-CB 3.47Å; A179-A203 VanDerWaalsContact CB-CB 3.47Å; M199-A203 PolarHBondContact O-N 2.96Å; K201-A203 PolarHBondContact O-N 2.98Å; A203-A207 VanDerWaalsContact O-CB 3.29Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.47Å; A203-A207 VanDerWaalsContact O-N 3.12Å; A203-L229 HydrophobicContact CB-CD1 4.21Å |
| 204 | F | 97.5 | Very high | 95.7 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 177.1 | -175.5 | -99.9 | 0 | 0 | 0 | 112.2 | A200 K201 Q202 A207 I208 M226 R230 | A200-F204 VanDerWaalsContact O-CB 3.31Å; A200-F204 WeakPolarHBondContact O-CB 3.47Å; A200-F204 PolarHBondContact O-N 3.36Å; K201-F204 PolarHBondContact O-N 3.46Å; Q202-F204 VanDerWaalsContact C-N 3.3Å; Q202-F204 PolarHBondContact O-N 3.01Å; F204-A207 PolarHBondContact O-N 3.44Å; F204-I208 HydrophobicContact CD1-CD1 3.62Å; F204-I208 HydrophobicContact CD1-CG1 4.39Å; F204-I208 HydrophobicContact CE1-CD1 3.1Å; F204-I208 HydrophobicContact CE1-CG1 4.18Å; F204-I208 HydrophobicContact CE2-CD1 4.24Å; F204-I208 HydrophobicContact CG-CD1 4.38Å; F204-I208 HydrophobicContact CZ-CD1 3.46Å; F204-I208 VanDerWaalsContact CZ-CD1 3.46Å; F204-I208 HydrophobicContact CZ-CG1 4.33Å; F204-I208 WeakPolarHBondContact O-CB 3.43Å; F204-I208 WeakPolarHBondContact O-CG1 3.44Å; F204-I208 PolarHBondContact O-N 3.37Å; F204-M226 HydrophobicContact CD2-CB 4.03Å; F204-M226 HydrophobicContact CD2-CE 4.45Å; F204-M226 WeakPolarHBondContact CD2-O 3.42Å; F204-M226 HydrophobicContact CE2-CB 4.07Å; F204-M226 HydrophobicContact CE2-CE 4.45Å; F204-M226 WeakPolarHBondContact CE2-O 3.01Å; F204-R230 HydrophobicContact CD2-CB 4.4Å; F204-R230 HydrophobicContact CE2-CB 3.92Å; F204-R230 HydrophobicContact CE2-CG 4.47Å; F204-R230 HydrophobicContact CZ-CB 4.25Å; F204-R230 HydrophobicContact CZ-CG 4.3Å |
| 205 | E | 97.5 | Very high | 95.3 | Very high | 106 Ų | 106 | 61.9 Ų | 61.9 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 179.8 | -72.1 | 177.3 | 164.2 | 0 | 0 | 112.2 | K201 Q202 A207 I208 A209 | K201-E205 WeakPolarHBondContact CE-OE1 3.31Å; K201-E205 HydrophobicContact CG-CG 4.31Å; K201-E205 IonicContact NZ-OE1 3.82Å; K201-E205 WeakPolarHBondContact O-CB 3.08Å; K201-E205 WeakPolarHBondContact O-CG 3.48Å; K201-E205 PolarHBondContact O-N 2.78Å; Q202-E205 PolarHBondContact O-N 3.16Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.45Å; E205-I208 PolarHBondContact O-N 2.83Å; E205-A209 PolarHBondContact O-N 3.01Å; E205-A209 VanDerWaalsContact O-N 3.1Å |
| 206 | E | 97.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.4 | -70.6 | 176.7 | -179.3 | 0 | 0 | 111.4 | P170 R175 Q202 A209 | P170-E206 HydrophobicContact CB-CB 3.83Å; P170-E206 HydrophobicContact CG-CB 4.28Å; R175-E206 IonicContact CZ-OE2 3.84Å; R175-E206 IonicContact NH2-OE2 2.77Å; R175-E206 PolarHBondContact NH2-OE2 3.31Å; Q202-E206 HydrophobicContact CG-CG 4.27Å; Q202-E206 VanDerWaalsContact CG-OE1 3.3Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.45Å; Q202-E206 PolarHBondContact NE2-OE1 2.93Å; Q202-E206 WeakPolarHBondContact O-CB 3.37Å; Q202-E206 VanDerWaalsContact O-CG 3.29Å; Q202-E206 WeakPolarHBondContact O-CG 3.25Å; Q202-E206 PolarHBondContact O-N 3.14Å; E206-A209 PolarHBondContact O-N 2.57Å |
| 207 | A | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.5 | -36.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T171 L176 A203 F204 E205 A209 E210 L211 M226 | T171-A207 HydrophobicContact CG2-CB 4.46Å; T171-A207 WeakPolarHBondContact CG2-O 3.26Å; L176-A207 HydrophobicContact CD1-CB 4.44Å; L176-A207 HydrophobicContact CD2-CB 3.74Å; A203-A207 VanDerWaalsContact O-CB 3.29Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.47Å; A203-A207 VanDerWaalsContact O-N 3.12Å; F204-A207 PolarHBondContact O-N 3.44Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.45Å; A207-A209 VanDerWaalsContact C-N 3.3Å; A207-A209 PolarHBondContact O-N 2.89Å; A207-E210 PolarHBondContact O-N 2.86Å; A207-L211 WeakPolarHBondContact O-CA 3.46Å; A207-L211 WeakPolarHBondContact O-CB 3.18Å; A207-L211 PolarHBondContact O-N 2.96Å; A207-M226 HydrophobicContact CB-CE 3.85Å; A207-M226 HydrophobicContact CB-CG 4.25Å; A207-M226 HydrophobicContact CB-SD 3.86Å |
| 208 | I | 95.9 | Very high | 93.7 | Very high | 87 Ų | 87 | 75.7 Ų | 75.7 | 45% | 0.446 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 173.3 | -80.4 | -177.8 | 0 | 0 | 0 | 111 | F204 E205 E210 L211 M226 | F204-I208 HydrophobicContact CD1-CD1 3.62Å; F204-I208 HydrophobicContact CD1-CG1 4.39Å; F204-I208 HydrophobicContact CE1-CD1 3.1Å; F204-I208 HydrophobicContact CE1-CG1 4.18Å; F204-I208 HydrophobicContact CE2-CD1 4.24Å; F204-I208 HydrophobicContact CG-CD1 4.38Å; F204-I208 HydrophobicContact CZ-CD1 3.46Å; F204-I208 VanDerWaalsContact CZ-CD1 3.46Å; F204-I208 HydrophobicContact CZ-CG1 4.33Å; F204-I208 WeakPolarHBondContact O-CB 3.43Å; F204-I208 WeakPolarHBondContact O-CG1 3.44Å; F204-I208 PolarHBondContact O-N 3.37Å; E205-I208 PolarHBondContact O-N 2.83Å; I208-E210 PolarHBondContact O-N 3.37Å; I208-E210 VanDerWaalsContact O-N 3.16Å; I208-L211 PolarHBondContact O-N 2.77Å; I208-M226 HydrophobicContact CB-CE 4.38Å; I208-M226 HydrophobicContact CG1-CE 3.47Å; I208-M226 VanDerWaalsContact CG1-CE 3.47Å |
| 209 | A | 95.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 78.4 Ų | 78.4 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -24.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | E205 E206 A207 | E205-A209 PolarHBondContact O-N 3.01Å; E205-A209 VanDerWaalsContact O-N 3.1Å; E206-A209 PolarHBondContact O-N 2.57Å; A207-A209 VanDerWaalsContact C-N 3.3Å; A207-A209 PolarHBondContact O-N 2.89Å |
| 210 | E | 95.1 | Very high | 93.1 | Very high | 80 Ų | 80 | 84.3 Ų | 84.3 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -115.1 | 3.7 | -178.5 | -66.2 | -174.8 | -153.8 | 0 | 0 | 113.4 | P170 T171 A207 I208 D212 T213 | P170-E210 WeakPolarHBondContact CD-OE2 3.39Å; T171-E210 HydrophobicContact CG2-CB 3.85Å; A207-E210 PolarHBondContact O-N 2.86Å; I208-E210 PolarHBondContact O-N 3.37Å; I208-E210 VanDerWaalsContact O-N 3.16Å; E210-D212 VanDerWaalsContact C-N 3.27Å; E210-D212 PolarHBondContact O-N 3.04Å; E210-T213 WeakPolarHBondContact O-CB 3.29Å; E210-T213 PolarHBondContact O-N 3.22Å; E210-T213 PolarHBondContact O-OG1 3.5Å |
| 211 | L | 92.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 88.5 Ų | 88.5 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -60.2 | -35.6 | -171.4 | -171.8 | 62.7 | 0 | 0 | 0 | 113.1 | A207 I208 T213 L214 Y219 T223 M226 | A207-L211 WeakPolarHBondContact O-CA 3.46Å; A207-L211 WeakPolarHBondContact O-CB 3.18Å; A207-L211 PolarHBondContact O-N 2.96Å; I208-L211 PolarHBondContact O-N 2.77Å; L211-T213 PolarHBondContact O-N 3.01Å; L211-T213 VanDerWaalsContact O-N 3.14Å; L211-L214 HydrophobicContact CD1-CD2 4.1Å; L211-L214 VanDerWaalsContact O-CB 3.27Å; L211-L214 WeakPolarHBondContact O-CB 3.29Å; L211-L214 PolarHBondContact O-N 3.44Å; L211-L214 VanDerWaalsContact O-N 3.13Å; L211-Y219 HydrophobicContact CD1-CE2 4.29Å; L211-Y219 HydrophobicContact CG-CE2 4.25Å; L211-T223 HydrophobicContact CD1-CG2 4.14Å; L211-T223 HydrophobicContact CD2-CG2 4.44Å; L211-M226 HydrophobicContact CD1-SD 3.94Å; L211-M226 HydrophobicContact CD2-CE 4.29Å |
| 212 | D | 90.4 | Very high | 92.8 | Very high | 168 Ų | 168 | 83.3 Ų | 83.3 | 90% | 0.898 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -65.8 | -13.8 | 179.6 | -67.8 | -22.7 | 0 | 0 | 0 | 113.3 | E210 | E210-D212 VanDerWaalsContact C-N 3.27Å; E210-D212 PolarHBondContact O-N 3.04Å |
| 213 | T | 87.5 | Confident | 92.7 | Very high | 106 Ų | 106 | 80.1 Ų | 80.1 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -89.1 | -8.4 | 178.3 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | E210 L211 | E210-T213 WeakPolarHBondContact O-CB 3.29Å; E210-T213 PolarHBondContact O-N 3.22Å; E210-T213 PolarHBondContact O-OG1 3.5Å; L211-T213 PolarHBondContact O-N 3.01Å; L211-T213 VanDerWaalsContact O-N 3.14Å |
| 214 | L | 87.6 | Confident | 92.7 | Very high | 33 Ų | 33 | 84.4 Ų | 84.4 | 17% | 0.173 | 44% | 0.444 | C | S | . | . | trans | -79.4 | 130.4 | -170.5 | -165.6 | 61.7 | 0 | 0 | 0 | 111.5 | L211 Y219 | L211-L214 HydrophobicContact CD1-CD2 4.1Å; L211-L214 VanDerWaalsContact O-CB 3.27Å; L211-L214 WeakPolarHBondContact O-CB 3.29Å; L211-L214 PolarHBondContact O-N 3.44Å; L211-L214 VanDerWaalsContact O-N 3.13Å; L214-Y219 HydrophobicContact CB-CD2 4.39Å; L214-Y219 HydrophobicContact CD2-CD2 4.31Å | ||
| 215 | G | 87.2 | Confident | 92.7 | Very high | 48 Ų | 48 | 83.6 Ų | 83.6 | 50% | 0.495 | 44% | 0.442 | S | S | . | . | trans | -70.1 | 160.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E217 S218 Y219 | G215-E217 PolarHBondContact O-N 3.39Å; G215-E217 VanDerWaalsContact O-N 3.17Å; G215-S218 PolarHBondContact O-N 3.49Å; G215-Y219 PolarHBondContact O-N 3.5Å | ||
| 216 | E | 85.9 | Confident | 92.7 | Very high | 191 Ų | 191 | 79 Ų | 79 | 89% | 0.893 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.6 | -34.2 | -175.9 | -67.3 | -175.2 | 174.1 | 0 | 0 | 113.7 | S218 Y219 | E216-S218 PolarHBondContact O-N 3.21Å; E216-Y219 PolarHBondContact O-N 2.99Å |
| 217 | E | 84.2 | Confident | 92.7 | Very high | 186 Ų | 186 | 79.3 Ų | 79.3 | 87% | 0.869 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | -176.3 | -171.8 | 175.5 | -172.8 | 0 | 0 | 112.8 | G215 | G215-E217 PolarHBondContact O-N 3.39Å; G215-E217 VanDerWaalsContact O-N 3.17Å |
| 218 | S | 88.6 | Confident | 92.8 | Very high | 41 Ų | 41 | 82.9 Ų | 82.9 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -92.2 | -15.7 | -179.2 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | G215 E216 K220 D221 S222 | G215-S218 PolarHBondContact O-N 3.49Å; E216-S218 PolarHBondContact O-N 3.21Å; S218-K220 PolarHBondContact O-N 3.15Å; S218-D221 PolarHBondContact O-N 3.37Å; S218-S222 WeakPolarHBondContact O-CB 3.43Å; S218-S222 PolarHBondContact O-N 3.01Å; S218-S222 PolarHBondContact O-OG 2.9Å |
| 219 | Y | 90.7 | Very high | 92.9 | Very high | 114 Ų | 114 | 78.8 Ų | 78.8 | 45% | 0.447 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.8 | -46.4 | -171.3 | -170.6 | -90.5 | 0 | 0 | 0 | 112.9 | L211 L214 G215 E216 T223 | L211-Y219 HydrophobicContact CD1-CE2 4.29Å; L211-Y219 HydrophobicContact CG-CE2 4.25Å; L214-Y219 HydrophobicContact CB-CD2 4.39Å; L214-Y219 HydrophobicContact CD2-CD2 4.31Å; G215-Y219 PolarHBondContact O-N 3.5Å; E216-Y219 PolarHBondContact O-N 2.99Å; Y219-T223 HydrophobicContact CD1-CG2 4.11Å; Y219-T223 HydrophobicContact CE1-CG2 3.79Å; Y219-T223 HydrophobicContact CE2-CG2 4.28Å; Y219-T223 HydrophobicContact CG-CG2 4.49Å; Y219-T223 WeakPolarHBondContact O-CB 3.35Å; Y219-T223 VanDerWaalsContact O-CG2 3.27Å; Y219-T223 WeakPolarHBondContact O-CG2 3.46Å; Y219-T223 PolarHBondContact O-N 3.04Å; Y219-T223 PolarHBondContact O-OG1 3.31Å |
| 220 | K | 93.1 | Very high | 92.9 | Very high | 160 Ų | 160 | 80.1 Ų | 80.1 | 70% | 0.696 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.6 | -45.4 | -178.7 | -175.7 | -176.5 | 174.3 | -171 | 0 | 112.2 | S218 T223 L224 | S218-K220 PolarHBondContact O-N 3.15Å; K220-T223 PolarHBondContact O-OG1 3.12Å; K220-T223 VanDerWaalsContact O-OG1 3.13Å; K220-L224 WeakPolarHBondContact O-CB 2.82Å; K220-L224 PolarHBondContact O-N 2.9Å; K220-L224 VanDerWaalsContact O-N 3.12Å |
| 221 | D | 93.8 | Very high | 93 | Very high | 89 Ų | 89 | 79.6 Ų | 79.6 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.5 | -43.7 | -176.4 | -71.5 | -12.8 | 0 | 0 | 0 | 111.1 | P173 S218 L224 I225 | P173-D221 HydrophobicContact CB-CB 4.16Å; P173-D221 HydrophobicContact CG-CB 4.07Å; S218-D221 PolarHBondContact O-N 3.37Å; D221-L224 PolarHBondContact O-N 3.42Å; D221-I225 VanDerWaalsContact O-CG1 3.28Å; D221-I225 WeakPolarHBondContact O-CG1 3.27Å; D221-I225 PolarHBondContact O-N 2.96Å; D221-I225 VanDerWaalsContact O-N 3.08Å |
| 222 | S | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 112 | T171 P173 S218 L224 I225 M226 | T171-S222 WeakPolarHBondContact O-CB 3.3Å; T171-S222 PolarHBondContact O-OG 3.45Å; P173-S222 WeakPolarHBondContact CD-OG 3.31Å; P173-S222 WeakPolarHBondContact CG-OG 3.31Å; S218-S222 WeakPolarHBondContact O-CB 3.43Å; S218-S222 PolarHBondContact O-N 3.01Å; S218-S222 PolarHBondContact O-OG 2.9Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 3.45Å; S222-I225 PolarHBondContact O-N 3.36Å; S222-M226 WeakPolarHBondContact O-CB 3.47Å; S222-M226 VanDerWaalsContact O-CG 3.24Å; S222-M226 WeakPolarHBondContact O-CG 3.38Å; S222-M226 PolarHBondContact O-N 3.25Å |
| 223 | T | 96.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 179.5 | 52 | 0 | 0 | 0 | 0 | 112.5 | L211 Y219 K220 M226 Q227 | L211-T223 HydrophobicContact CD1-CG2 4.14Å; L211-T223 HydrophobicContact CD2-CG2 4.44Å; Y219-T223 HydrophobicContact CD1-CG2 4.11Å; Y219-T223 HydrophobicContact CE1-CG2 3.79Å; Y219-T223 HydrophobicContact CE2-CG2 4.28Å; Y219-T223 HydrophobicContact CG-CG2 4.49Å; Y219-T223 WeakPolarHBondContact O-CB 3.35Å; Y219-T223 VanDerWaalsContact O-CG2 3.27Å; Y219-T223 WeakPolarHBondContact O-CG2 3.46Å; Y219-T223 PolarHBondContact O-N 3.04Å; Y219-T223 PolarHBondContact O-OG1 3.31Å; K220-T223 PolarHBondContact O-OG1 3.12Å; K220-T223 VanDerWaalsContact O-OG1 3.13Å; T223-M226 PolarHBondContact O-N 2.92Å; T223-Q227 WeakPolarHBondContact O-CB 3.39Å; T223-Q227 PolarHBondContact O-N 3.4Å |
| 224 | L | 96.8 | Very high | 93.7 | Very high | 103 Ų | 103 | 72.6 Ų | 72.6 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 172.7 | 178.9 | 61.9 | 0 | 0 | 0 | 111.7 | K220 D221 S222 Q227 L228 | K220-L224 WeakPolarHBondContact O-CB 2.82Å; K220-L224 PolarHBondContact O-N 2.9Å; K220-L224 VanDerWaalsContact O-N 3.12Å; D221-L224 PolarHBondContact O-N 3.42Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 3.45Å; L224-Q227 WeakPolarHBondContact O-CB 3.4Å; L224-Q227 PolarHBondContact O-N 2.92Å; L224-L228 WeakPolarHBondContact O-CG 3.31Å; L224-L228 PolarHBondContact O-N 3.48Å; L224-L228 VanDerWaalsContact O-N 3.15Å |
| 225 | I | 97.9 | Very high | 94 | Very high | 27 Ų | 27 | 75.3 Ų | 75.3 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 179.1 | -61 | 164.8 | 0 | 0 | 0 | 111.1 | P173 L176 L180 D221 S222 Q227 L228 L229 | P173-I225 HydrophobicContact CB-CD1 4.09Å; P173-I225 VanDerWaalsContact O-CD1 3.26Å; P173-I225 WeakPolarHBondContact O-CD1 3.49Å; L176-I225 HydrophobicContact CB-CB 4.16Å; L176-I225 HydrophobicContact CB-CD1 4.42Å; L176-I225 HydrophobicContact CB-CG2 3.63Å; L180-I225 HydrophobicContact CB-CG2 4.28Å; L180-I225 HydrophobicContact CD2-CG2 4.16Å; D221-I225 VanDerWaalsContact O-CG1 3.28Å; D221-I225 WeakPolarHBondContact O-CG1 3.27Å; D221-I225 PolarHBondContact O-N 2.96Å; D221-I225 VanDerWaalsContact O-N 3.08Å; S222-I225 PolarHBondContact O-N 3.36Å; I225-Q227 VanDerWaalsContact C-N 3.28Å; I225-Q227 PolarHBondContact O-N 3.47Å; I225-L228 WeakPolarHBondContact O-CB 3.45Å; I225-L228 PolarHBondContact O-N 2.59Å; I225-L229 PolarHBondContact O-N 3.13Å |
| 226 | M | 97.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 73.3 Ų | 73.3 | 4% | 0.044 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 174.2 | -70.4 | 170.6 | 72.5 | 0 | 0 | 111.9 | L176 F204 A207 I208 L211 S222 T223 L229 R230 | L176-M226 HydrophobicContact CD1-CG 3.97Å; L176-M226 HydrophobicContact CD1-SD 4.43Å; L176-M226 HydrophobicContact CD2-CG 4.1Å; F204-M226 HydrophobicContact CD2-CB 4.03Å; F204-M226 HydrophobicContact CD2-CE 4.45Å; F204-M226 WeakPolarHBondContact CD2-O 3.42Å; F204-M226 HydrophobicContact CE2-CB 4.07Å; F204-M226 HydrophobicContact CE2-CE 4.45Å; F204-M226 WeakPolarHBondContact CE2-O 3.01Å; A207-M226 HydrophobicContact CB-CE 3.85Å; A207-M226 HydrophobicContact CB-CG 4.25Å; A207-M226 HydrophobicContact CB-SD 3.86Å; I208-M226 HydrophobicContact CB-CE 4.38Å; I208-M226 HydrophobicContact CG1-CE 3.47Å; I208-M226 VanDerWaalsContact CG1-CE 3.47Å; L211-M226 HydrophobicContact CD1-SD 3.94Å; L211-M226 HydrophobicContact CD2-CE 4.29Å; S222-M226 WeakPolarHBondContact O-CB 3.47Å; S222-M226 VanDerWaalsContact O-CG 3.24Å; S222-M226 WeakPolarHBondContact O-CG 3.38Å; S222-M226 PolarHBondContact O-N 3.25Å; T223-M226 PolarHBondContact O-N 2.92Å; M226-L229 PolarHBondContact O-N 3.14Å; M226-R230 PolarHBondContact O-N 3.45Å |
| 227 | Q | 97.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.5 | 176.5 | 56.1 | 39.9 | 0 | 0 | 111.3 | T223 L224 I225 L229 R230 D231 | T223-Q227 WeakPolarHBondContact O-CB 3.39Å; T223-Q227 PolarHBondContact O-N 3.4Å; L224-Q227 WeakPolarHBondContact O-CB 3.4Å; L224-Q227 PolarHBondContact O-N 2.92Å; I225-Q227 VanDerWaalsContact C-N 3.28Å; I225-Q227 PolarHBondContact O-N 3.47Å; Q227-L229 PolarHBondContact O-N 2.97Å; Q227-R230 WeakPolarHBondContact O-CB 3.23Å; Q227-R230 PolarHBondContact O-N 3.22Å; Q227-D231 PolarHBondContact NE2-OD1 2.92Å; Q227-D231 PolarHBondContact NE2-OD2 3.08Å; Q227-D231 PolarHBondContact O-N 3.3Å |
| 228 | L | 98.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.3 | -65.9 | 171.9 | 0 | 0 | 0 | 112.7 | L180 L224 I225 R230 D231 N232 | L180-L228 HydrophobicContact CD1-CB 4.08Å; L180-L228 HydrophobicContact CD2-CB 3.92Å; L180-L228 HydrophobicContact CD2-CD1 3.89Å; L224-L228 WeakPolarHBondContact O-CG 3.31Å; L224-L228 PolarHBondContact O-N 3.48Å; L224-L228 VanDerWaalsContact O-N 3.15Å; I225-L228 WeakPolarHBondContact O-CB 3.45Å; I225-L228 PolarHBondContact O-N 2.59Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.44Å; L228-D231 PolarHBondContact O-N 3.17Å; L228-N232 PolarHBondContact O-N 3.47Å |
| 229 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 174.2 | -77.3 | 167.8 | 0 | 0 | 0 | 111.4 | L176 L180 A200 A203 I225 M226 Q227 N232 L233 | L176-L229 HydrophobicContact CD2-CD1 3.95Å; L180-L229 HydrophobicContact CB-CD2 3.92Å; L180-L229 HydrophobicContact CB-CG 4.26Å; L180-L229 HydrophobicContact CD1-CD2 3.95Å; L180-L229 HydrophobicContact CD1-CG 4.17Å; A200-L229 HydrophobicContact CB-CD2 3.87Å; A203-L229 HydrophobicContact CB-CD1 4.21Å; I225-L229 PolarHBondContact O-N 3.13Å; M226-L229 PolarHBondContact O-N 3.14Å; Q227-L229 PolarHBondContact O-N 2.97Å; L229-N232 PolarHBondContact O-N 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.48Å; L229-L233 PolarHBondContact O-N 3.32Å |
| 230 | R | 97 | Very high | 93.6 | Very high | 114 Ų | 114 | 58 Ų | 58 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.6 | -169.3 | -171.5 | 74.3 | -163.4 | 2.2 | 112.4 | F204 M226 Q227 L228 L233 T234 | F204-R230 HydrophobicContact CD2-CB 4.4Å; F204-R230 HydrophobicContact CE2-CB 3.92Å; F204-R230 HydrophobicContact CE2-CG 4.47Å; F204-R230 HydrophobicContact CZ-CB 4.25Å; F204-R230 HydrophobicContact CZ-CG 4.3Å; M226-R230 PolarHBondContact O-N 3.45Å; Q227-R230 WeakPolarHBondContact O-CB 3.23Å; Q227-R230 PolarHBondContact O-N 3.22Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.44Å; R230-L233 PolarHBondContact O-N 3.21Å; R230-T234 PolarHBondContact O-N 3.49Å; R230-T234 PolarHBondContact O-OG1 2.9Å |
| 231 | D | 97.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | -179.9 | -64.8 | -14.2 | 0 | 0 | 0 | 110.5 | Q227 L228 T234 L235 | Q227-D231 PolarHBondContact NE2-OD1 2.92Å; Q227-D231 PolarHBondContact NE2-OD2 3.08Å; Q227-D231 PolarHBondContact O-N 3.3Å; L228-D231 PolarHBondContact O-N 3.17Å; D231-T234 WeakPolarHBondContact O-CB 3.32Å; D231-T234 PolarHBondContact O-N 2.6Å; D231-L235 PolarHBondContact O-N 3.38Å; D231-L235 VanDerWaalsContact O-N 3.08Å |
| 232 | N | 95.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 172.2 | -79 | -1.1 | 0 | 0 | 0 | 112.6 | L180 L228 L229 T234 L235 W236 | L180-N232 VanDerWaalsContact CD1-ND2 3.28Å; L180-N232 WeakPolarHBondContact CD1-ND2 3.22Å; L228-N232 PolarHBondContact O-N 3.47Å; L229-N232 PolarHBondContact O-N 3.29Å; N232-T234 PolarHBondContact O-N 3.43Å; N232-L235 PolarHBondContact O-N 2.91Å; N232-W236 HydrophobicContact CB-CD2 4.18Å; N232-W236 HydrophobicContact CB-CE3 4.08Å; N232-W236 HydrophobicContact CB-CH2 3.63Å; N232-W236 HydrophobicContact CB-CZ2 3.72Å; N232-W236 HydrophobicContact CB-CZ3 3.8Å; N232-W236 WeakPolarHBondContact ND2-CH2 3.42Å; N232-W236 WeakPolarHBondContact O-CB 3.3Å; N232-W236 VanDerWaalsContact O-CD2 3.26Å; N232-W236 PolarHBondContact O-N 2.85Å |
| 233 | L | 95.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 176 | -78.4 | 168.5 | 0 | 0 | 0 | 112.2 | C197 A200 K201 L229 R230 T237 | C197-L233 HydrophobicContact CB-CD2 4.12Å; C197-L233 VanDerWaalsContact O-CD2 3.31Å; C197-L233 WeakPolarHBondContact O-CD2 3.47Å; A200-L233 HydrophobicContact CB-CD1 4.27Å; A200-L233 HydrophobicContact CB-CD2 3.79Å; A200-L233 HydrophobicContact CB-CG 3.8Å; K201-L233 HydrophobicContact CB-CD1 4.22Å; K201-L233 HydrophobicContact CB-CD2 4.07Å; L229-L233 WeakPolarHBondContact O-CG 3.48Å; L229-L233 PolarHBondContact O-N 3.32Å; R230-L233 PolarHBondContact O-N 3.21Å; L233-T237 VanDerWaalsContact O-CB 3.27Å; L233-T237 WeakPolarHBondContact O-CB 3.41Å; L233-T237 PolarHBondContact O-N 3.32Å; L233-T237 VanDerWaalsContact O-N 3.1Å; L233-T237 PolarHBondContact O-OG1 3.46Å |
| 234 | T | 94.3 | Very high | 89.1 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.8 | -48.2 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | R230 D231 N232 S238 | R230-T234 PolarHBondContact O-N 3.49Å; R230-T234 PolarHBondContact O-OG1 2.9Å; D231-T234 WeakPolarHBondContact O-CB 3.32Å; D231-T234 PolarHBondContact O-N 2.6Å; N232-T234 PolarHBondContact O-N 3.43Å; T234-S238 PolarHBondContact O-N 3.4Å; T234-S238 PolarHBondContact O-OG 2.94Å |
| 235 | L | 93.2 | Very high | 87.9 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -50.8 | 179 | -179.9 | 66.1 | 0 | 0 | 0 | 112.2 | D231 N232 T237 S238 D239 | D231-L235 PolarHBondContact O-N 3.38Å; D231-L235 VanDerWaalsContact O-N 3.08Å; N232-L235 PolarHBondContact O-N 2.91Å; L235-T237 VanDerWaalsContact C-N 3.31Å; L235-T237 PolarHBondContact O-N 3.03Å; L235-S238 PolarHBondContact O-N 3.06Å; L235-S238 PolarHBondContact O-OG 3.08Å; L235-D239 VanDerWaalsContact O-CG 3.24Å; L235-D239 PolarHBondContact O-N 2.81Å; L235-D239 VanDerWaalsContact O-N 3.13Å |
| 236 | W | 94.3 | Very high | 85.6 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 2% | 0.023 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.4 | -27.3 | -174.2 | -56.7 | -25.8 | 0 | 0 | 0 | 112.9 | V184 Y187 A196 A200 N232 V240 | V184-W236 HydrophobicContact CG2-CH2 4.01Å; V184-W236 HydrophobicContact CG2-CZ2 3.95Å; Y187-W236 AromaticContact CD1-CD1 3.83Å; Y187-W236 AromaticContact CD1-CE2 3.92Å; Y187-W236 HydrophobicContact CD1-CZ2 4.43Å; Y187-W236 AromaticContact CD1-NE1 3.36Å; Y187-W236 HydrophobicContact CD2-CB 3.98Å; Y187-W236 AromaticContact CD2-CD1 3.36Å; Y187-W236 AromaticContact CD2-CD2 3.84Å; Y187-W236 HydrophobicContact CD2-CD2 3.84Å; Y187-W236 AromaticContact CD2-CE2 3.94Å; Y187-W236 AromaticContact CD2-CG 3.45Å; Y187-W236 HydrophobicContact CD2-CG 3.45Å; Y187-W236 VanDerWaalsContact CD2-CG 3.45Å; Y187-W236 AromaticContact CD2-NE1 3.64Å; Y187-W236 AromaticContact CE1-CD1 3.67Å; Y187-W236 AromaticContact CE1-NE1 3.52Å; Y187-W236 HydrophobicContact CE2-CB 3.87Å; Y187-W236 AromaticContact CE2-CD1 3.14Å; Y187-W236 HydrophobicContact CE2-CD2 4.37Å; Y187-W236 AromaticContact CE2-CG 3.54Å; Y187-W236 HydrophobicContact CE2-CG 3.54Å; Y187-W236 AromaticContact CE2-NE1 3.77Å; Y187-W236 AromaticContact CG-CD1 3.7Å; Y187-W236 AromaticContact CG-CD2 4Å; Y187-W236 HydrophobicContact CG-CD2 4Å; Y187-W236 AromaticContact CG-CE2 3.63Å; Y187-W236 HydrophobicContact CG-CG 4.01Å; Y187-W236 HydrophobicContact CG-CZ2 4.19Å; Y187-W236 AromaticContact CG-NE1 3.44Å; Y187-W236 AromaticContact CZ-CD1 3.32Å; Y187-W236 AromaticContact CZ-NE1 3.72Å; A196-W236 HydrophobicContact CB-CE3 3.89Å; A196-W236 HydrophobicContact CB-CH2 4.46Å; A196-W236 HydrophobicContact CB-CZ3 3.84Å; A200-W236 HydrophobicContact CB-CZ3 4.22Å; N232-W236 HydrophobicContact CB-CD2 4.18Å; N232-W236 HydrophobicContact CB-CE3 4.08Å; N232-W236 HydrophobicContact CB-CH2 3.63Å; N232-W236 HydrophobicContact CB-CZ2 3.72Å; N232-W236 HydrophobicContact CB-CZ3 3.8Å; N232-W236 WeakPolarHBondContact ND2-CH2 3.42Å; N232-W236 WeakPolarHBondContact O-CB 3.3Å; N232-W236 VanDerWaalsContact O-CD2 3.26Å; N232-W236 PolarHBondContact O-N 2.85Å; W236-V240 WeakPolarHBondContact O-CG2 3.41Å; W236-V240 PolarHBondContact O-N 3.29Å |
| 237 | T | 89.6 | Confident | 83 | Confident | 84 Ų | 84 | 81 Ų | 81 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.5 | -35.2 | 175 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | L233 L235 Q241 | L233-T237 VanDerWaalsContact O-CB 3.27Å; L233-T237 WeakPolarHBondContact O-CB 3.41Å; L233-T237 PolarHBondContact O-N 3.32Å; L233-T237 VanDerWaalsContact O-N 3.1Å; L233-T237 PolarHBondContact O-OG1 3.46Å; L235-T237 VanDerWaalsContact C-N 3.31Å; L235-T237 PolarHBondContact O-N 3.03Å; T237-Q241 PolarHBondContact O-N 3.09Å |
| 238 | S | 85.6 | Confident | 82.3 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 112 | T234 L235 V240 Q241 D242 | T234-S238 PolarHBondContact O-N 3.4Å; T234-S238 PolarHBondContact O-OG 2.94Å; L235-S238 PolarHBondContact O-N 3.06Å; L235-S238 PolarHBondContact O-OG 3.08Å; S238-V240 VanDerWaalsContact C-N 3.31Å; S238-V240 PolarHBondContact O-N 2.78Å; S238-Q241 WeakPolarHBondContact O-CB 3.5Å; S238-Q241 PolarHBondContact O-N 3.49Å; S238-Q241 VanDerWaalsContact O-N 3.11Å; S238-D242 PolarHBondContact O-N 3.45Å |
| 239 | D | 80.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 20% | 0.198 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64 | -37 | 179.6 | -60.6 | -24.4 | 0 | 0 | 0 | 112.4 | Y187 L235 Q241 D242 Q243 | Y187-D239 PolarHBondContact OH-OD2 2.89Å; L235-D239 VanDerWaalsContact O-CG 3.24Å; L235-D239 PolarHBondContact O-N 2.81Å; L235-D239 VanDerWaalsContact O-N 3.13Å; D239-Q241 VanDerWaalsContact C-N 3.34Å; D239-D242 PolarHBondContact O-N 2.77Å; D239-Q243 VanDerWaalsContact O-CG 3.29Å; D239-Q243 WeakPolarHBondContact O-CG 3.44Å; D239-Q243 PolarHBondContact O-N 3.1Å |
| 240 | V | 76.9 | Confident | 80.6 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 23% | 0.23 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | W236 S238 Q243 L244 | W236-V240 WeakPolarHBondContact O-CG2 3.41Å; W236-V240 PolarHBondContact O-N 3.29Å; S238-V240 VanDerWaalsContact C-N 3.31Å; S238-V240 PolarHBondContact O-N 2.78Å; V240-Q243 PolarHBondContact O-N 2.65Å; V240-L244 HydrophobicContact CG1-CD1 4.19Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.43Å; V240-L244 PolarHBondContact O-N 3.21Å; V240-L244 VanDerWaalsContact O-N 3.15Å |
| 241 | Q | 70.8 | Confident | 79.6 | Confident | 96 Ų | 96 | 85 Ų | 85 | 45% | 0.449 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 176.4 | -174.3 | 59.4 | 48.5 | 0 | 0 | 111.3 | T237 S238 D239 Q243 L244 D245 | T237-Q241 PolarHBondContact O-N 3.09Å; S238-Q241 WeakPolarHBondContact O-CB 3.5Å; S238-Q241 PolarHBondContact O-N 3.49Å; S238-Q241 VanDerWaalsContact O-N 3.11Å; D239-Q241 VanDerWaalsContact C-N 3.34Å; Q241-Q243 VanDerWaalsContact C-N 3.32Å; Q241-Q243 PolarHBondContact O-N 3.01Å; Q241-L244 PolarHBondContact O-N 3.28Å; Q241-L244 VanDerWaalsContact O-N 3.09Å; Q241-D245 VanDerWaalsContact NE2-CG 3.32Å; Q241-D245 PolarHBondContact NE2-OD1 2.57Å; Q241-D245 PolarHBondContact NE2-OD2 2.9Å; Q241-D245 PolarHBondContact O-N 3.26Å |
| 242 | D | 73.6 | Confident | 78.5 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 177.4 | -71.4 | -17.4 | 0 | 0 | 0 | 111.7 | S238 D239 L244 D245 E246 | S238-D242 PolarHBondContact O-N 3.45Å; D239-D242 PolarHBondContact O-N 2.77Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 3.16Å; D242-D245 PolarHBondContact O-N 3.38Å; D242-E246 PolarHBondContact O-N 3.21Å |
| 243 | Q | 71.1 | Confident | 77.3 | Confident | 122 Ų | 122 | 89.2 Ų | 89.2 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.1 | -27.8 | 174.6 | -73.9 | 175.2 | 24 | 0 | 0 | 113.8 | D239 V240 Q241 | D239-Q243 VanDerWaalsContact O-CG 3.29Å; D239-Q243 WeakPolarHBondContact O-CG 3.44Å; D239-Q243 PolarHBondContact O-N 3.1Å; V240-Q243 PolarHBondContact O-N 2.65Å; Q241-Q243 VanDerWaalsContact C-N 3.32Å; Q241-Q243 PolarHBondContact O-N 3.01Å |
| 244 | L | 70.7 | Confident | 76.1 | Confident | 124 Ų | 124 | 93.6 Ų | 93.6 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.8 | -25.2 | 176.3 | -71.8 | 170.7 | 0 | 0 | 0 | 112.5 | V240 Q241 D242 | V240-L244 HydrophobicContact CG1-CD1 4.19Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.43Å; V240-L244 PolarHBondContact O-N 3.21Å; V240-L244 VanDerWaalsContact O-N 3.15Å; Q241-L244 PolarHBondContact O-N 3.28Å; Q241-L244 VanDerWaalsContact O-N 3.09Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 3.16Å |
| 245 | D | 69.7 | Low | 74.7 | Confident | 110 Ų | 110 | 93.8 Ų | 93.8 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -90.5 | -7.2 | -179.1 | -69.2 | -29.3 | 0 | 0 | 0 | 113.1 | Q241 D242 | Q241-D245 VanDerWaalsContact NE2-CG 3.32Å; Q241-D245 PolarHBondContact NE2-OD1 2.57Å; Q241-D245 PolarHBondContact NE2-OD2 2.9Å; Q241-D245 PolarHBondContact O-N 3.26Å; D242-D245 PolarHBondContact O-N 3.38Å |
| 246 | E | 50.9 | Low | 73.1 | Confident | 156 Ų | 156 | 94.2 Ų | 94.2 | 73% | 0.729 | 52% | 0.515 | S | S | * | . | trans | -75.1 | 125.4 | 168.8 | -78.4 | -170.7 | 164.5 | 0 | 0 | 111.4 | D242 | D242-E246 PolarHBondContact O-N 3.21Š| ||
| 247 | P | 43.4 | Very low | 71.2 | Confident | 201 Ų | 201 | 102.2 Ų | 102.2 | 100% | 1.305 | 56% | 0.56 | S | S | * | * | trans | -73.9 | 0 | -172.9 | 22.9 | -26.6 | 0 | 0 | 0 | 116.2 |
Retrieved 247 of 247 residues in 248.1 ms
(Link to these results)