| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 83.9 | Confident | 96.5 | Very high | 168 Ų | 168 | 76 Ų | 76 | 83% | 0.828 | 36% | 0.362 | S | S | * | . | 0 | 109.5 | 0 | -164.9 | 168.8 | 64.8 | 0 | 0 | 107.5 | E5 A6 | M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 3.68Å; M1-A6 HydrophobicContact CE-CB 3.63Å; M1-A6 HydrophobicContact CG-CB 4.13Å; M1-A6 HydrophobicContact SD-CB 3.97Å | |||
| 2 | T | 95 | Very high | 96.6 | Very high | 80 Ų | 80 | 74.9 Ų | 74.9 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | trans | -69.5 | 167.8 | 169.7 | 66.4 | 0 | 0 | 0 | 0 | 110 | R4 E5 A6 | T2-R4 VanDerWaalsContact C-N 3.32Å; T2-R4 PolarHBondContact O-N 3.29Å; T2-E5 PolarHBondContact N-OE2 3.2Å; T2-E5 PolarHBondContact O-N 3.21Å; T2-E5 VanDerWaalsContact OG1-CG 3.26Å; T2-E5 WeakPolarHBondContact OG1-CG 3.48Å; T2-E5 PolarHBondContact OG1-N 3.26Å; T2-E5 VanDerWaalsContact OG1-N 3.16Å; T2-A6 PolarHBondContact O-N 3.05Å | ||
| 3 | E | 96.3 | Very high | 96.8 | Very high | 139 Ų | 139 | 74.4 Ų | 74.4 | 65% | 0.65 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.4 | -44.6 | 174.8 | -172.1 | 175.3 | -164.2 | 0 | 0 | 111.7 | E5 A6 L7 M33 | E3-E5 PolarHBondContact O-N 2.71Å; E3-A6 WeakPolarHBondContact O-CB 3.23Å; E3-A6 PolarHBondContact O-N 3.41Å; E3-A6 VanDerWaalsContact O-N 3.15Å; E3-L7 HydrophobicContact CG-CD1 4.46Å; E3-L7 WeakPolarHBondContact O-CG 3.44Å; E3-L7 PolarHBondContact O-N 3.3Å; E3-M33 HydrophobicContact CB-CE 4.14Å; E3-M33 HydrophobicContact CG-CE 3.73Å |
| 4 | R | 97.8 | Very high | 96.9 | Very high | 32 Ų | 32 | 69.6 Ų | 69.6 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175 | -171.7 | 172.3 | 176.7 | 151.1 | 2.9 | 112.4 | T2 A6 L7 V8 V30 M33 E35 E36 E41 | T2-R4 VanDerWaalsContact C-N 3.32Å; T2-R4 PolarHBondContact O-N 3.29Å; R4-A6 VanDerWaalsContact C-N 3.27Å; R4-A6 PolarHBondContact O-N 2.97Å; R4-L7 PolarHBondContact O-N 3.05Å; R4-V8 WeakPolarHBondContact O-CG2 3.39Å; R4-V8 PolarHBondContact O-N 3.08Å; R4-V30 HydrophobicContact CG-CG1 4.2Å; R4-M33 HydrophobicContact CB-CE 4.44Å; R4-M33 HydrophobicContact CB-SD 3.74Å; R4-M33 HydrophobicContact CG-SD 4.1Å; R4-E35 IonicContact CZ-OE2 2.83Å; R4-E35 IonicContact NH1-OE2 3.5Å; R4-E35 PolarHBondContact NH1-OE2 3.24Å; R4-E36 PolarHBondContact NH2-O 3.42Å; R4-E41 IonicContact CZ-OE1 3.8Å; R4-E41 IonicContact CZ-OE2 3.84Å; R4-E41 IonicContact NE-OE1 3.83Å; R4-E41 PolarHBondContact NE-OE1 3.47Å; R4-E41 IonicContact NE-OE2 3Å; R4-E41 VanDerWaalsContact NH2-CD 3.28Å; R4-E41 IonicContact NH2-OE1 3.27Å; R4-E41 PolarHBondContact NH2-OE1 2.91Å; R4-E41 IonicContact NH2-OE2 3.88Å; R4-E41 PolarHBondContact NH2-OE2 3.27Å |
| 5 | E | 97.8 | Very high | 97 | Very high | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 176.8 | -72.5 | 170.7 | 164 | 0 | 0 | 111.8 | M1 T2 E3 Y9 | M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 3.68Å; T2-E5 PolarHBondContact N-OE2 3.2Å; T2-E5 PolarHBondContact O-N 3.21Å; T2-E5 VanDerWaalsContact OG1-CG 3.26Å; T2-E5 WeakPolarHBondContact OG1-CG 3.48Å; T2-E5 PolarHBondContact OG1-N 3.26Å; T2-E5 VanDerWaalsContact OG1-N 3.16Å; E3-E5 PolarHBondContact O-N 2.71Å; E5-Y9 WeakPolarHBondContact O-CB 3.4Å; E5-Y9 PolarHBondContact O-N 3.41Å |
| 6 | A | 98.1 | Very high | 97 | Very high | 34 Ų | 34 | 74.9 Ų | 74.9 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 T2 E3 R4 Y9 R10 | M1-A6 HydrophobicContact CE-CB 3.63Å; M1-A6 HydrophobicContact CG-CB 4.13Å; M1-A6 HydrophobicContact SD-CB 3.97Å; T2-A6 PolarHBondContact O-N 3.05Å; E3-A6 WeakPolarHBondContact O-CB 3.23Å; E3-A6 PolarHBondContact O-N 3.41Å; E3-A6 VanDerWaalsContact O-N 3.15Å; R4-A6 VanDerWaalsContact C-N 3.27Å; R4-A6 PolarHBondContact O-N 2.97Å; A6-Y9 PolarHBondContact O-N 3.22Å; A6-R10 WeakPolarHBondContact O-CB 3.29Å; A6-R10 PolarHBondContact O-N 3.43Å |
| 7 | L | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.068 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 177.4 | -70.3 | 166.7 | 0 | 0 | 0 | 112 | E3 R4 Y9 R10 A11 E29 V30 M33 | E3-L7 HydrophobicContact CG-CD1 4.46Å; E3-L7 WeakPolarHBondContact O-CG 3.44Å; E3-L7 PolarHBondContact O-N 3.3Å; R4-L7 PolarHBondContact O-N 3.05Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-Y9 PolarHBondContact O-N 3.3Å; L7-R10 WeakPolarHBondContact O-CB 3.38Å; L7-R10 PolarHBondContact O-N 2.96Å; L7-A11 PolarHBondContact O-N 3.32Å; L7-E29 HydrophobicContact CD1-CB 3.57Å; L7-E29 HydrophobicContact CD2-CB 3.97Å; L7-E29 HydrophobicContact CD2-CG 4.41Å; L7-E29 HydrophobicContact CG-CB 4.4Å; L7-V30 HydrophobicContact CB-CG2 3.51Å; L7-V30 HydrophobicContact CD1-CG2 3.99Å; L7-V30 HydrophobicContact CG-CG2 4.41Å; L7-M33 HydrophobicContact CD1-CE 3.49Å; L7-M33 VanDerWaalsContact CD1-CE 3.49Å |
| 8 | V | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 81.6 Ų | 81.6 | 7% | 0.067 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | R4 A11 K12 V30 E41 L44 | R4-V8 WeakPolarHBondContact O-CG2 3.39Å; R4-V8 PolarHBondContact O-N 3.08Å; V8-A11 PolarHBondContact O-N 3.01Å; V8-K12 HydrophobicContact CG1-CD 4.46Å; V8-K12 WeakPolarHBondContact O-CG 3.27Å; V8-K12 PolarHBondContact O-N 3.37Å; V8-V30 HydrophobicContact CG2-CG2 4.05Å; V8-E41 HydrophobicContact CG1-CG 4.47Å; V8-E41 HydrophobicContact CG2-CG 3.73Å; V8-E41 WeakPolarHBondContact CG2-OE1 3.4Å; V8-L44 HydrophobicContact CG1-CD1 3.89Å |
| 9 | Y | 98.3 | Very high | 97.1 | Very high | 135 Ų | 135 | 84.2 Ų | 84.2 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.6 | -177 | -114 | 0 | 0 | 0 | 112.1 | E5 A6 L7 A11 K12 L13 | E5-Y9 WeakPolarHBondContact O-CB 3.4Å; E5-Y9 PolarHBondContact O-N 3.41Å; A6-Y9 PolarHBondContact O-N 3.22Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-Y9 PolarHBondContact O-N 3.3Å; Y9-A11 PolarHBondContact O-N 3.45Å; Y9-K12 PolarHBondContact O-N 3.12Å; Y9-L13 HydrophobicContact CD1-CD1 4Å; Y9-L13 HydrophobicContact CD1-CG 4.48Å; Y9-L13 HydrophobicContact CE1-CD1 3.52Å; Y9-L13 HydrophobicContact CE1-CG 4.11Å; Y9-L13 HydrophobicContact CE2-CD2 4.44Å; Y9-L13 HydrophobicContact CE2-CG 4.39Å; Y9-L13 WeakPolarHBondContact O-CG 3.48Å; Y9-L13 PolarHBondContact O-N 3.16Å |
| 10 | R | 98.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 82.5 Ų | 82.5 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174 | -178.9 | -179.8 | 175 | -165.9 | -4.4 | 111.8 | A6 L7 K12 L13 A14 A26 | A6-R10 WeakPolarHBondContact O-CB 3.29Å; A6-R10 PolarHBondContact O-N 3.43Å; L7-R10 WeakPolarHBondContact O-CB 3.38Å; L7-R10 PolarHBondContact O-N 2.96Å; R10-K12 VanDerWaalsContact C-N 3.35Å; R10-K12 PolarHBondContact O-N 2.88Å; R10-L13 PolarHBondContact O-N 3.46Å; R10-A14 WeakPolarHBondContact O-CB 3.35Å; R10-A14 PolarHBondContact O-N 3.43Å; R10-A26 HydrophobicContact CB-CB 4.43Å; R10-A26 HydrophobicContact CG-CB 4.29Å |
| 11 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 V8 Y9 A14 E15 M23 A26 M27 | L7-A11 PolarHBondContact O-N 3.32Å; V8-A11 PolarHBondContact O-N 3.01Å; Y9-A11 PolarHBondContact O-N 3.45Å; A11-A14 PolarHBondContact O-N 2.86Å; A11-E15 PolarHBondContact O-N 3.12Å; A11-M23 HydrophobicContact CB-CG 4.03Å; A11-A26 HydrophobicContact CB-CB 4.15Å; A11-M27 HydrophobicContact CB-CG 3.91Å; A11-M27 HydrophobicContact CB-SD 3.67Å |
| 12 | K | 98.5 | Very high | 97.9 | Very high | 63 Ų | 63 | 76.4 Ų | 76.4 | 27% | 0.274 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175 | -69.6 | 173.9 | -177.7 | -177.5 | 0 | 112.6 | V8 Y9 R10 A14 E15 Q16 E40 L44 | V8-K12 HydrophobicContact CG1-CD 4.46Å; V8-K12 WeakPolarHBondContact O-CG 3.27Å; V8-K12 PolarHBondContact O-N 3.37Å; Y9-K12 PolarHBondContact O-N 3.12Å; R10-K12 VanDerWaalsContact C-N 3.35Å; R10-K12 PolarHBondContact O-N 2.88Å; K12-A14 VanDerWaalsContact C-N 3.34Å; K12-E15 PolarHBondContact O-N 3.45Å; K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.2Å; K12-Q16 VanDerWaalsContact O-N 3.13Å; K12-E40 WeakPolarHBondContact CE-OE1 3.36Å; K12-E40 IonicContact NZ-OE1 3.48Å; K12-E40 PolarHBondContact NZ-OE1 3.29Å; K12-E40 IonicContact NZ-OE2 2.85Å; K12-E40 PolarHBondContact NZ-OE2 3.18Å; K12-L44 HydrophobicContact CG-CD1 4.01Å; K12-L44 HydrophobicContact CG-CD2 4.07Å |
| 13 | L | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 72.6 Ų | 72.6 | 36% | 0.356 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.7 | -69.8 | 178.4 | 0 | 0 | 0 | 111.8 | Y9 R10 Q16 L17 | Y9-L13 HydrophobicContact CD1-CD1 4Å; Y9-L13 HydrophobicContact CD1-CG 4.48Å; Y9-L13 HydrophobicContact CE1-CD1 3.52Å; Y9-L13 HydrophobicContact CE1-CG 4.11Å; Y9-L13 HydrophobicContact CE2-CD2 4.44Å; Y9-L13 HydrophobicContact CE2-CG 4.39Å; Y9-L13 WeakPolarHBondContact O-CG 3.48Å; Y9-L13 PolarHBondContact O-N 3.16Å; R10-L13 PolarHBondContact O-N 3.46Å; L13-Q16 PolarHBondContact O-N 3.05Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 3.01Å |
| 14 | A | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R10 A11 K12 Q16 L17 E18 R19 E22 M23 | R10-A14 WeakPolarHBondContact O-CB 3.35Å; R10-A14 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 2.86Å; K12-A14 VanDerWaalsContact C-N 3.34Å; A14-Q16 PolarHBondContact O-N 2.69Å; A14-L17 CarbonylContact O-C 3.45Å; A14-L17 PolarHBondContact O-N 3.46Å; A14-L17 VanDerWaalsContact O-N 3.14Å; A14-E18 PolarHBondContact O-N 2.83Å; A14-E18 VanDerWaalsContact O-N 3.12Å; A14-R19 HydrophobicContact CB-CB 4.26Å; A14-R19 PolarHBondContact O-N 2.78Å; A14-E22 HydrophobicContact CB-CB 4.1Å; A14-M23 HydrophobicContact CB-CB 4.08Å |
| 15 | E | 98.1 | Very high | 98.2 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 33% | 0.327 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 173.9 | -177 | -178.4 | -159.2 | 0 | 0 | 111.9 | A11 K12 L17 E18 M23 L44 V47 | A11-E15 PolarHBondContact O-N 3.12Å; K12-E15 PolarHBondContact O-N 3.45Å; E15-L17 PolarHBondContact O-N 2.94Å; E15-L17 VanDerWaalsContact O-N 3.15Å; E15-E18 PolarHBondContact O-N 2.88Å; E15-M23 HydrophobicContact CB-CE 4.03Å; E15-M23 HydrophobicContact CB-SD 4Å; E15-M23 HydrophobicContact CG-CE 4.32Å; E15-M23 HydrophobicContact CG-SD 4.45Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.13Å; E15-V47 HydrophobicContact CG-CG1 4.49Å |
| 16 | Q | 97.5 | Very high | 98.2 | Very high | 153 Ų | 153 | 63.6 Ų | 63.6 | 72% | 0.715 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.1 | -23.1 | 177.6 | -72.5 | -179.2 | -23.8 | 0 | 0 | 113.7 | K12 L13 A14 | K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.2Å; K12-Q16 VanDerWaalsContact O-N 3.13Å; L13-Q16 PolarHBondContact O-N 3.05Å; A14-Q16 PolarHBondContact O-N 2.69Å |
| 17 | L | 97.6 | Very high | 98.2 | Very high | 123 Ų | 123 | 62 Ų | 62 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 6.8 | 178.7 | -61.7 | 173.2 | 0 | 0 | 0 | 112.4 | L13 A14 E15 R19 | L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 3.01Å; A14-L17 CarbonylContact O-C 3.45Å; A14-L17 PolarHBondContact O-N 3.46Å; A14-L17 VanDerWaalsContact O-N 3.14Å; E15-L17 PolarHBondContact O-N 2.94Å; E15-L17 VanDerWaalsContact O-N 3.15Å; L17-R19 HydrophobicContact CB-CB 4.41Å; L17-R19 HydrophobicContact CB-CG 3.94Å; L17-R19 PolarHBondContact O-N 2.66Å; L17-R19 VanDerWaalsContact O-N 3.12Å |
| 18 | E | 97.4 | Very high | 98.2 | Very high | 147 Ų | 147 | 63.5 Ų | 63.5 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 28.2 | -175 | -56.6 | -175.5 | 159.7 | 0 | 0 | 113.3 | A14 E15 Y20 | A14-E18 PolarHBondContact O-N 2.83Å; A14-E18 VanDerWaalsContact O-N 3.12Å; E15-E18 PolarHBondContact O-N 2.88Å; E18-Y20 VanDerWaalsContact C-N 3.35Å; E18-Y20 HydrophobicContact CB-CE2 3.93Å; E18-Y20 WeakPolarHBondContact O-CD2 3.41Å; E18-Y20 PolarHBondContact O-N 3.5Å |
| 19 | R | 98.1 | Very high | 98.2 | Very high | 131 Ų | 131 | 66.7 Ų | 66.7 | 49% | 0.494 | 31% | 0.305 | S | S | . | . | trans | -91.7 | 66.3 | -179.6 | -74.3 | -158 | 75.6 | 173.2 | 15.5 | 110.7 | A14 L17 D21 E22 M23 | A14-R19 HydrophobicContact CB-CB 4.26Å; A14-R19 PolarHBondContact O-N 2.78Å; L17-R19 HydrophobicContact CB-CB 4.41Å; L17-R19 HydrophobicContact CB-CG 3.94Å; L17-R19 PolarHBondContact O-N 2.66Å; L17-R19 VanDerWaalsContact O-N 3.12Å; R19-D21 VanDerWaalsContact C-N 3.35Å; R19-D21 PolarHBondContact O-N 3.38Å; R19-E22 HydrophobicContact CB-CB 4.4Å; R19-E22 VanDerWaalsContact CB-OE2 3.31Å; R19-E22 WeakPolarHBondContact CB-OE2 3.36Å; R19-E22 IonicContact CZ-OE1 3.99Å; R19-E22 IonicContact CZ-OE2 2.67Å; R19-E22 IonicContact NE-OE1 2.66Å; R19-E22 PolarHBondContact NE-OE1 3.34Å; R19-E22 IonicContact NE-OE2 2.66Å; R19-E22 PolarHBondContact NE-OE2 2.97Å; R19-E22 VanDerWaalsContact NH2-CD 3.29Å; R19-E22 IonicContact NH2-OE1 3.69Å; R19-E22 PolarHBondContact NH2-OE1 3.12Å; R19-E22 IonicContact NH2-OE2 2.98Å; R19-E22 PolarHBondContact O-N 2.89Å; R19-M23 PolarHBondContact O-N 3.02Å; R19-M23 VanDerWaalsContact O-N 3.08Å | ||
| 20 | Y | 98.3 | Very high | 98.2 | Very high | 50 Ų | 50 | 60.3 Ų | 60.3 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.8 | -26.7 | -169.4 | -56 | -68.3 | 0 | 0 | 0 | 114.5 | E18 M23 V24 V47 N51 | E18-Y20 VanDerWaalsContact C-N 3.35Å; E18-Y20 HydrophobicContact CB-CE2 3.93Å; E18-Y20 WeakPolarHBondContact O-CD2 3.41Å; E18-Y20 PolarHBondContact O-N 3.5Å; Y20-M23 HydrophobicContact CD1-SD 4.08Å; Y20-M23 WeakPolarHBondContact O-CB 3.42Å; Y20-M23 PolarHBondContact O-N 2.87Å; Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 2.88Å; Y20-V47 HydrophobicContact CE1-CG1 4.31Å; Y20-N51 HydrophobicContact CD1-CB 3.62Å; Y20-N51 HydrophobicContact CD2-CB 3.37Å; Y20-N51 HydrophobicContact CE1-CB 3.84Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.24Å; Y20-N51 HydrophobicContact CE2-CB 3.57Å; Y20-N51 HydrophobicContact CG-CB 3.37Å; Y20-N51 VanDerWaalsContact CZ-CG 3.43Å |
| 21 | D | 97.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 40% | 0.401 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 173.2 | -62 | -79.6 | 0 | 0 | 0 | 110.4 | R19 M23 V24 D25 R56 | R19-D21 VanDerWaalsContact C-N 3.35Å; R19-D21 PolarHBondContact O-N 3.38Å; D21-M23 VanDerWaalsContact C-N 3.28Å; D21-M23 PolarHBondContact O-N 2.85Å; D21-V24 WeakPolarHBondContact O-CB 3.24Å; D21-V24 PolarHBondContact O-N 3.49Å; D21-D25 PolarHBondContact O-N 2.88Å; D21-R56 IonicContact OD1-CZ 3.81Å; D21-R56 IonicContact OD1-NH1 2.97Å; D21-R56 IonicContact OD1-NH2 3.65Å; D21-R56 PolarHBondContact OD1-NH2 3.3Å; D21-R56 IonicContact OD2-NH2 3.56Å |
| 22 | E | 98.1 | Very high | 98.2 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 23% | 0.229 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 172.6 | -73 | 73.3 | -167.8 | 0 | 0 | 113.3 | A14 R19 D25 A26 | A14-E22 HydrophobicContact CB-CB 4.1Å; R19-E22 HydrophobicContact CB-CB 4.4Å; R19-E22 VanDerWaalsContact CB-OE2 3.31Å; R19-E22 WeakPolarHBondContact CB-OE2 3.36Å; R19-E22 IonicContact CZ-OE1 3.99Å; R19-E22 IonicContact CZ-OE2 2.67Å; R19-E22 IonicContact NE-OE1 2.66Å; R19-E22 PolarHBondContact NE-OE1 3.34Å; R19-E22 IonicContact NE-OE2 2.66Å; R19-E22 PolarHBondContact NE-OE2 2.97Å; R19-E22 VanDerWaalsContact NH2-CD 3.29Å; R19-E22 IonicContact NH2-OE1 3.69Å; R19-E22 PolarHBondContact NH2-OE1 3.12Å; R19-E22 IonicContact NH2-OE2 2.98Å; R19-E22 PolarHBondContact O-N 2.89Å; E22-D25 PolarHBondContact O-N 3.25Å; E22-A26 PolarHBondContact O-N 3.19Å; E22-A26 VanDerWaalsContact O-N 3.09Å |
| 23 | M | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 174.1 | -163.4 | -171.2 | 179.4 | 0 | 0 | 110.7 | A11 A14 E15 R19 Y20 D21 M27 L44 V47 A48 | A11-M23 HydrophobicContact CB-CG 4.03Å; A14-M23 HydrophobicContact CB-CB 4.08Å; E15-M23 HydrophobicContact CB-CE 4.03Å; E15-M23 HydrophobicContact CB-SD 4Å; E15-M23 HydrophobicContact CG-CE 4.32Å; E15-M23 HydrophobicContact CG-SD 4.45Å; R19-M23 PolarHBondContact O-N 3.02Å; R19-M23 VanDerWaalsContact O-N 3.08Å; Y20-M23 HydrophobicContact CD1-SD 4.08Å; Y20-M23 WeakPolarHBondContact O-CB 3.42Å; Y20-M23 PolarHBondContact O-N 2.87Å; D21-M23 VanDerWaalsContact C-N 3.28Å; D21-M23 PolarHBondContact O-N 2.85Å; M23-M27 WeakPolarHBondContact O-CB 3.33Å; M23-M27 VanDerWaalsContact O-CG 3.27Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.06Å; M23-L44 HydrophobicContact CE-CB 3.77Å; M23-L44 HydrophobicContact CE-CD2 3.42Å; M23-L44 VanDerWaalsContact CE-CD2 3.42Å; M23-L44 HydrophobicContact CE-CG 4.2Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M23-V47 HydrophobicContact CE-CB 4.1Å; M23-V47 HydrophobicContact CE-CG1 4.07Å; M23-V47 HydrophobicContact SD-CG1 4.21Å; M23-A48 HydrophobicContact CB-CB 3.82Å; M23-A48 HydrophobicContact CE-CB 4.28Å; M23-A48 HydrophobicContact CG-CB 3.59Å; M23-A48 VanDerWaalsContact SD-CA 3.57Å; M23-A48 HydrophobicContact SD-CB 3.55Å; M23-A48 VanDerWaalsContact SD-CB 3.55Å |
| 24 | V | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 172.8 | 164.9 | 0 | 0 | 0 | 0 | 110.1 | Y20 D21 A26 M27 K28 A48 Y49 V52 | Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 2.88Å; D21-V24 WeakPolarHBondContact O-CB 3.24Å; D21-V24 PolarHBondContact O-N 3.49Å; V24-A26 PolarHBondContact O-N 2.87Å; V24-M27 PolarHBondContact O-N 3.03Å; V24-K28 HydrophobicContact CG1-CD 3.69Å; V24-K28 HydrophobicContact CG1-CG 4.08Å; V24-K28 WeakPolarHBondContact O-CB 3.48Å; V24-K28 WeakPolarHBondContact O-CG 3.38Å; V24-K28 PolarHBondContact O-N 2.87Å; V24-A48 HydrophobicContact CG2-CB 3.75Å; V24-Y49 HydrophobicContact CB-CE2 4.4Å; V24-Y49 HydrophobicContact CG1-CE1 3.97Å; V24-Y49 HydrophobicContact CG1-CE2 3.82Å; V24-Y49 HydrophobicContact CG2-CD1 4.15Å; V24-Y49 HydrophobicContact CG2-CD2 3.91Å; V24-Y49 HydrophobicContact CG2-CE1 4.26Å; V24-Y49 HydrophobicContact CG2-CE2 4.02Å; V24-Y49 HydrophobicContact CG2-CG 3.99Å; V24-V52 HydrophobicContact CG2-CG2 3.85Å |
| 25 | D | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 43% | 0.428 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.1 | -49.7 | -179.6 | -69.9 | -22.2 | 0 | 0 | 0 | 112.1 | D21 E22 M27 K28 E29 | D21-D25 PolarHBondContact O-N 2.88Å; E22-D25 PolarHBondContact O-N 3.25Å; D25-M27 PolarHBondContact O-N 3.05Å; D25-K28 PolarHBondContact O-N 2.95Å; D25-E29 PolarHBondContact O-N 2.69Å |
| 26 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R10 A11 E22 V24 E29 V30 | R10-A26 HydrophobicContact CB-CB 4.43Å; R10-A26 HydrophobicContact CG-CB 4.29Å; A11-A26 HydrophobicContact CB-CB 4.15Å; E22-A26 PolarHBondContact O-N 3.19Å; E22-A26 VanDerWaalsContact O-N 3.09Å; V24-A26 PolarHBondContact O-N 2.87Å; A26-E29 PolarHBondContact O-N 3.34Å; A26-V30 WeakPolarHBondContact O-CG2 2.99Å; A26-V30 PolarHBondContact O-N 2.95Å |
| 27 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.8 | -27.8 | -179.5 | -70 | -52.7 | -50.5 | 0 | 0 | 112.8 | A11 M23 V24 D25 V30 V31 E41 L44 L45 | A11-M27 HydrophobicContact CB-CG 3.91Å; A11-M27 HydrophobicContact CB-SD 3.67Å; M23-M27 WeakPolarHBondContact O-CB 3.33Å; M23-M27 VanDerWaalsContact O-CG 3.27Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.06Å; V24-M27 PolarHBondContact O-N 3.03Å; D25-M27 PolarHBondContact O-N 3.05Å; M27-V30 HydrophobicContact CE-CB 4.18Å; M27-V30 HydrophobicContact CE-CG1 4.19Å; M27-V30 HydrophobicContact CE-CG2 4.5Å; M27-V30 PolarHBondContact O-N 3.13Å; M27-V31 VanDerWaalsContact O-CG2 3.32Å; M27-V31 WeakPolarHBondContact O-CG2 3.49Å; M27-V31 PolarHBondContact O-N 3.46Å; M27-E41 HydrophobicContact CE-CB 4.07Å; M27-E41 VanDerWaalsContact CE-O 3.27Å; M27-E41 WeakPolarHBondContact CE-O 3.48Å; M27-L44 HydrophobicContact CE-CB 4.32Å; M27-L44 HydrophobicContact CG-CB 4.36Å; M27-L44 HydrophobicContact SD-CB 3.9Å; M27-L44 HydrophobicContact SD-CD1 4.41Å; M27-L45 HydrophobicContact CB-CB 4.43Å; M27-L45 HydrophobicContact CB-CD1 3.8Å; M27-L45 HydrophobicContact CE-CB 4.19Å |
| 28 | K | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 171.7 | -75.7 | 177.2 | 67.7 | 165.5 | 0 | 111.2 | V24 D25 V30 V31 E32 D99 L103 | V24-K28 HydrophobicContact CG1-CD 3.69Å; V24-K28 HydrophobicContact CG1-CG 4.08Å; V24-K28 WeakPolarHBondContact O-CB 3.48Å; V24-K28 WeakPolarHBondContact O-CG 3.38Å; V24-K28 PolarHBondContact O-N 2.87Å; D25-K28 PolarHBondContact O-N 2.95Å; K28-V30 VanDerWaalsContact C-N 3.26Å; K28-V30 PolarHBondContact O-N 3.21Å; K28-V31 PolarHBondContact O-N 3.37Å; K28-V31 VanDerWaalsContact O-N 3.08Å; K28-E32 WeakPolarHBondContact O-CG 3.05Å; K28-E32 PolarHBondContact O-N 3.16Å; K28-D99 VanDerWaalsContact CE-OD1 3.25Å; K28-D99 WeakPolarHBondContact CE-OD1 3.43Å; K28-D99 IonicContact NZ-OD1 3.25Å; K28-D99 PolarHBondContact NZ-OD1 2.86Å; K28-D99 IonicContact NZ-OD2 2.98Å; K28-D99 PolarHBondContact NZ-OD2 2.96Å; K28-L103 HydrophobicContact CD-CD1 4.47Å; K28-L103 HydrophobicContact CG-CD1 3.71Å |
| 29 | E | 98.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 177.1 | -66.4 | -178.9 | -122.3 | 0 | 0 | 111.2 | L7 D25 A26 V31 E32 M33 | L7-E29 HydrophobicContact CD1-CB 3.57Å; L7-E29 HydrophobicContact CD2-CB 3.97Å; L7-E29 HydrophobicContact CD2-CG 4.41Å; L7-E29 HydrophobicContact CG-CB 4.4Å; D25-E29 PolarHBondContact O-N 2.69Å; A26-E29 PolarHBondContact O-N 3.34Å; E29-V31 PolarHBondContact O-N 2.93Å; E29-E32 PolarHBondContact O-N 3.09Å; E29-M33 WeakPolarHBondContact O-CG 3.48Å; E29-M33 PolarHBondContact O-N 3.39Å |
| 30 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 112 | R4 L7 V8 A26 M27 K28 E32 M33 L37 | R4-V30 HydrophobicContact CG-CG1 4.2Å; L7-V30 HydrophobicContact CB-CG2 3.51Å; L7-V30 HydrophobicContact CD1-CG2 3.99Å; L7-V30 HydrophobicContact CG-CG2 4.41Å; V8-V30 HydrophobicContact CG2-CG2 4.05Å; A26-V30 WeakPolarHBondContact O-CG2 2.99Å; A26-V30 PolarHBondContact O-N 2.95Å; M27-V30 HydrophobicContact CE-CB 4.18Å; M27-V30 HydrophobicContact CE-CG1 4.19Å; M27-V30 HydrophobicContact CE-CG2 4.5Å; M27-V30 PolarHBondContact O-N 3.13Å; K28-V30 VanDerWaalsContact C-N 3.26Å; K28-V30 PolarHBondContact O-N 3.21Å; V30-E32 VanDerWaalsContact C-N 3.35Å; V30-M33 WeakPolarHBondContact O-CB 3.26Å; V30-M33 PolarHBondContact O-N 2.92Å; V30-L37 HydrophobicContact CG1-CD2 3.81Å |
| 31 | V | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -37.5 | 179.2 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | M27 K28 E29 M33 A34 L37 L45 L103 Y107 L108 | M27-V31 VanDerWaalsContact O-CG2 3.32Å; M27-V31 WeakPolarHBondContact O-CG2 3.49Å; M27-V31 PolarHBondContact O-N 3.46Å; K28-V31 PolarHBondContact O-N 3.37Å; K28-V31 VanDerWaalsContact O-N 3.08Å; E29-V31 PolarHBondContact O-N 2.93Å; V31-M33 PolarHBondContact O-N 3.33Å; V31-A34 PolarHBondContact O-N 2.83Å; V31-A34 VanDerWaalsContact O-N 3.08Å; V31-L37 HydrophobicContact CG2-CD1 4.05Å; V31-L37 HydrophobicContact CG2-CD2 4.37Å; V31-L45 HydrophobicContact CG2-CD1 4.17Å; V31-L45 HydrophobicContact CG2-CD2 4.01Å; V31-L103 HydrophobicContact CB-CD2 4.43Å; V31-L103 HydrophobicContact CG1-CB 4.14Å; V31-L103 HydrophobicContact CG1-CD2 4.02Å; V31-Y107 HydrophobicContact CG1-CD2 4.07Å; V31-Y107 HydrophobicContact CG1-CG 4.06Å; V31-L108 HydrophobicContact CB-CD2 4.43Å; V31-L108 HydrophobicContact CG1-CD1 4.49Å; V31-L108 HydrophobicContact CG1-CD2 3.75Å; V31-L108 HydrophobicContact CG1-CG 3.88Å; V31-L108 HydrophobicContact CG2-CD2 3.82Å |
| 32 | E | 98 | Very high | 97.7 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.9 | -14.9 | -178.9 | -71.1 | 179.9 | 165.4 | 0 | 0 | 113.7 | K28 E29 V30 A34 L103 Y107 | K28-E32 WeakPolarHBondContact O-CG 3.05Å; K28-E32 PolarHBondContact O-N 3.16Å; E29-E32 PolarHBondContact O-N 3.09Å; V30-E32 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 3.49Å; E32-A34 VanDerWaalsContact O-N 3.16Å; E32-L103 HydrophobicContact CG-CD2 4.26Å; E32-Y107 HydrophobicContact CG-CE2 3.88Å |
| 33 | M | 96.8 | Very high | 97.7 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 29% | 0.291 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -6.5 | 167.7 | -64.5 | 178.1 | 177.8 | 0 | 0 | 113.2 | E3 R4 L7 E29 V30 V31 E35 | E3-M33 HydrophobicContact CB-CE 4.14Å; E3-M33 HydrophobicContact CG-CE 3.73Å; R4-M33 HydrophobicContact CB-CE 4.44Å; R4-M33 HydrophobicContact CB-SD 3.74Å; R4-M33 HydrophobicContact CG-SD 4.1Å; L7-M33 HydrophobicContact CD1-CE 3.49Å; L7-M33 VanDerWaalsContact CD1-CE 3.49Å; E29-M33 WeakPolarHBondContact O-CG 3.48Å; E29-M33 PolarHBondContact O-N 3.39Å; V30-M33 WeakPolarHBondContact O-CB 3.26Å; V30-M33 PolarHBondContact O-N 2.92Å; V31-M33 PolarHBondContact O-N 3.33Å; M33-E35 PolarHBondContact O-N 2.59Å; M33-E35 VanDerWaalsContact O-N 3.14Å |
| 34 | A | 94.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 51% | 0.512 | 24% | 0.243 | S | C | . | . | trans | 60.4 | 23.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V31 E32 Y107 | V31-A34 PolarHBondContact O-N 2.83Å; V31-A34 VanDerWaalsContact O-N 3.08Å; E32-A34 PolarHBondContact O-N 3.49Å; E32-A34 VanDerWaalsContact O-N 3.16Å; A34-Y107 HydrophobicContact CB-CD1 3.96Å; A34-Y107 HydrophobicContact CB-CE1 4.3Å | ||
| 35 | E | 95 | Very high | 97.7 | Very high | 116 Ų | 116 | 45.8 Ų | 45.8 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -100.6 | 154.9 | 172.1 | -76.4 | 175.6 | -173.5 | 0 | 0 | 110.1 | R4 M33 L37 | R4-E35 IonicContact CZ-OE2 2.83Å; R4-E35 IonicContact NH1-OE2 3.5Å; R4-E35 PolarHBondContact NH1-OE2 3.24Å; M33-E35 PolarHBondContact O-N 2.59Å; M33-E35 VanDerWaalsContact O-N 3.14Å; E35-L37 PolarHBondContact O-N 3.38Å |
| 36 | E | 97.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 135.2 | 175.7 | -170.2 | 167.7 | -163.6 | 0 | 0 | 110.3 | R4 T113 K114 | R4-E36 PolarHBondContact NH2-O 3.42Å; E36-T113 VanDerWaalsContact CD-N 3.35Å; E36-T113 PolarHBondContact OE1-N 3.45Å; E36-T113 PolarHBondContact OE1-OG1 2.9Å; E36-T113 WeakPolarHBondContact OE2-CB 3.37Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.27Å; E36-T113 PolarHBondContact OE2-N 3.29Å; E36-T113 PolarHBondContact OE2-OG1 3.09Å; E36-K114 PolarHBondContact OE1-N 3.45Å |
| 37 | L | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 140.6 | 175.8 | -59.9 | -170.7 | 0 | 0 | 0 | 110.7 | V30 V31 E35 E41 R42 L45 L108 | V30-L37 HydrophobicContact CG1-CD2 3.81Å; V31-L37 HydrophobicContact CG2-CD1 4.05Å; V31-L37 HydrophobicContact CG2-CD2 4.37Å; E35-L37 PolarHBondContact O-N 3.38Å; L37-E41 HydrophobicContact CB-CB 4.07Å; L37-E41 HydrophobicContact CD1-CB 4.48Å; L37-E41 HydrophobicContact CD2-CB 4.23Å; L37-E41 HydrophobicContact CG-CB 4.5Å; L37-R42 HydrophobicContact CB-CB 4.27Å; L37-R42 HydrophobicContact CD1-CB 4.45Å; L37-L45 HydrophobicContact CD1-CD2 4.07Å; L37-L108 HydrophobicContact CD1-CD2 3.67Å; L37-L108 HydrophobicContact CG-CD2 3.95Å |
| 38 | T | 97.7 | Very high | 97.7 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -66 | 164.9 | 163.3 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | E40 E41 R42 | T38-E40 PolarHBondContact O-N 2.88Å; T38-E41 WeakPolarHBondContact CB-OE2 3.4Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.35Å; T38-E41 PolarHBondContact N-OE2 3.29Å; T38-E41 PolarHBondContact O-N 3.01Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.24Å; T38-E41 WeakPolarHBondContact OG1-CG 3.3Å; T38-E41 PolarHBondContact OG1-N 3.43Å; T38-E41 PolarHBondContact OG1-OE2 3.33Å; T38-R42 VanDerWaalsContact O-CB 3.31Å; T38-R42 WeakPolarHBondContact O-CB 3.07Å; T38-R42 PolarHBondContact O-N 2.8Å |
| 39 | V | 96 | Very high | 97.7 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.1 | -41 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | N43 | V39-N43 WeakPolarHBondContact O-CB 3.46Å; V39-N43 PolarHBondContact O-N 2.72Å; V39-N43 PolarHBondContact O-ND2 3.26Å; V39-N43 PolarHBondContact O-OD1 3.36Å |
| 40 | E | 97.4 | Very high | 97.7 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -49.4 | 178.3 | -174.6 | 176.9 | -140.6 | 0 | 0 | 111.5 | K12 T38 R42 N43 L44 | K12-E40 WeakPolarHBondContact CE-OE1 3.36Å; K12-E40 IonicContact NZ-OE1 3.48Å; K12-E40 PolarHBondContact NZ-OE1 3.29Å; K12-E40 IonicContact NZ-OE2 2.85Å; K12-E40 PolarHBondContact NZ-OE2 3.18Å; T38-E40 PolarHBondContact O-N 2.88Å; E40-R42 PolarHBondContact O-N 2.81Å; E40-N43 PolarHBondContact O-N 3.26Å; E40-L44 HydrophobicContact CG-CD1 4.27Å; E40-L44 WeakPolarHBondContact O-CG 3.08Å; E40-L44 PolarHBondContact O-N 2.97Å |
| 41 | E | 98.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 179.8 | -69.6 | 163.8 | 144.6 | 0 | 0 | 112.4 | R4 V8 M27 L37 T38 N43 L44 L45 | R4-E41 IonicContact CZ-OE1 3.8Å; R4-E41 IonicContact CZ-OE2 3.84Å; R4-E41 IonicContact NE-OE1 3.83Å; R4-E41 PolarHBondContact NE-OE1 3.47Å; R4-E41 IonicContact NE-OE2 3Å; R4-E41 VanDerWaalsContact NH2-CD 3.28Å; R4-E41 IonicContact NH2-OE1 3.27Å; R4-E41 PolarHBondContact NH2-OE1 2.91Å; R4-E41 IonicContact NH2-OE2 3.88Å; R4-E41 PolarHBondContact NH2-OE2 3.27Å; V8-E41 HydrophobicContact CG1-CG 4.47Å; V8-E41 HydrophobicContact CG2-CG 3.73Å; V8-E41 WeakPolarHBondContact CG2-OE1 3.4Å; M27-E41 HydrophobicContact CE-CB 4.07Å; M27-E41 VanDerWaalsContact CE-O 3.27Å; M27-E41 WeakPolarHBondContact CE-O 3.48Å; L37-E41 HydrophobicContact CB-CB 4.07Å; L37-E41 HydrophobicContact CD1-CB 4.48Å; L37-E41 HydrophobicContact CD2-CB 4.23Å; L37-E41 HydrophobicContact CG-CB 4.5Å; T38-E41 WeakPolarHBondContact CB-OE2 3.4Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.35Å; T38-E41 PolarHBondContact N-OE2 3.29Å; T38-E41 PolarHBondContact O-N 3.01Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.24Å; T38-E41 WeakPolarHBondContact OG1-CG 3.3Å; T38-E41 PolarHBondContact OG1-N 3.43Å; T38-E41 PolarHBondContact OG1-OE2 3.33Å; E41-N43 VanDerWaalsContact C-N 3.3Å; E41-N43 PolarHBondContact O-N 2.74Å; E41-L44 PolarHBondContact O-N 3.16Å; E41-L45 WeakPolarHBondContact O-CB 3.41Å; E41-L45 PolarHBondContact O-N 3.49Å |
| 42 | R | 98.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 173.9 | -178.6 | -161.9 | 70.9 | -162.8 | -1.6 | 111.1 | L37 T38 E40 S46 D116 F120 Y121 | L37-R42 HydrophobicContact CB-CB 4.27Å; L37-R42 HydrophobicContact CD1-CB 4.45Å; T38-R42 VanDerWaalsContact O-CB 3.31Å; T38-R42 WeakPolarHBondContact O-CB 3.07Å; T38-R42 PolarHBondContact O-N 2.8Å; E40-R42 PolarHBondContact O-N 2.81Å; R42-S46 PolarHBondContact O-N 3.15Å; R42-D116 IonicContact NH1-OD2 2.71Å; R42-D116 PolarHBondContact NH1-OD2 3.36Å; R42-F120 HydrophobicContact CG-CD1 3.62Å; R42-F120 HydrophobicContact CG-CE1 3.46Å; R42-F120 VanDerWaalsContact CG-CE1 3.46Å; R42-F120 HydrophobicContact CG-CE2 4.42Å; R42-F120 HydrophobicContact CG-CG 4.19Å; R42-F120 HydrophobicContact CG-CZ 3.88Å; R42-Y121 HydrophobicContact CG-CE1 3.87Å |
| 43 | N | 97 | Very high | 97.6 | Very high | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.7 | -42.3 | 178.2 | -69.2 | -6.9 | 0 | 0 | 0 | 111.2 | V39 E40 E41 S46 V47 | V39-N43 WeakPolarHBondContact O-CB 3.46Å; V39-N43 PolarHBondContact O-N 2.72Å; V39-N43 PolarHBondContact O-ND2 3.26Å; V39-N43 PolarHBondContact O-OD1 3.36Å; E40-N43 PolarHBondContact O-N 3.26Å; E41-N43 VanDerWaalsContact C-N 3.3Å; E41-N43 PolarHBondContact O-N 2.74Å; N43-S46 PolarHBondContact O-N 2.99Å; N43-V47 WeakPolarHBondContact O-CG2 3.43Å; N43-V47 PolarHBondContact O-N 3.28Å |
| 44 | L | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 174.6 | -71.9 | 169.3 | 0 | 0 | 0 | 111.5 | V8 K12 E15 M23 M27 E40 E41 S46 V47 A48 | V8-L44 HydrophobicContact CG1-CD1 3.89Å; K12-L44 HydrophobicContact CG-CD1 4.01Å; K12-L44 HydrophobicContact CG-CD2 4.07Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.13Å; M23-L44 HydrophobicContact CE-CB 3.77Å; M23-L44 HydrophobicContact CE-CD2 3.42Å; M23-L44 VanDerWaalsContact CE-CD2 3.42Å; M23-L44 HydrophobicContact CE-CG 4.2Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M27-L44 HydrophobicContact CE-CB 4.32Å; M27-L44 HydrophobicContact CG-CB 4.36Å; M27-L44 HydrophobicContact SD-CB 3.9Å; M27-L44 HydrophobicContact SD-CD1 4.41Å; E40-L44 HydrophobicContact CG-CD1 4.27Å; E40-L44 WeakPolarHBondContact O-CG 3.08Å; E40-L44 PolarHBondContact O-N 2.97Å; E41-L44 PolarHBondContact O-N 3.16Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.41Å; L44-V47 PolarHBondContact O-N 3.49Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.48Å |
| 45 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.7 | -46.3 | 175.6 | 178.9 | 72.7 | 0 | 0 | 0 | 111.2 | M27 V31 L37 E41 A48 Y49 I100 L108 | M27-L45 HydrophobicContact CB-CB 4.43Å; M27-L45 HydrophobicContact CB-CD1 3.8Å; M27-L45 HydrophobicContact CE-CB 4.19Å; V31-L45 HydrophobicContact CG2-CD1 4.17Å; V31-L45 HydrophobicContact CG2-CD2 4.01Å; L37-L45 HydrophobicContact CD1-CD2 4.07Å; E41-L45 WeakPolarHBondContact O-CB 3.41Å; E41-L45 PolarHBondContact O-N 3.49Å; L45-A48 PolarHBondContact O-N 3.41Å; L45-Y49 HydrophobicContact CD1-CD2 3.67Å; L45-Y49 HydrophobicContact CD1-CE2 3.58Å; L45-Y49 HydrophobicContact CG-CD2 4.24Å; L45-Y49 PolarHBondContact O-N 3.13Å; L45-Y49 VanDerWaalsContact O-N 3.14Å; L45-I100 HydrophobicContact CD1-CD1 4.41Å; L45-I100 HydrophobicContact CD2-CD1 4.29Å; L45-I100 HydrophobicContact CG-CD1 4.44Å; L45-L108 HydrophobicContact CD2-CD1 3.6Å; L45-L108 HydrophobicContact CD2-CD2 4.27Å |
| 46 | S | 98.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 179.4 | -178 | 0 | 0 | 0 | 0 | 112.8 | R42 N43 L44 K50 | R42-S46 PolarHBondContact O-N 3.15Å; N43-S46 PolarHBondContact O-N 2.99Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.41Å; S46-K50 WeakPolarHBondContact O-CB 3.42Å; S46-K50 PolarHBondContact O-N 2.89Å |
| 47 | V | 98.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 177.5 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | E15 Y20 M23 N43 L44 K50 N51 | E15-V47 HydrophobicContact CG-CG1 4.49Å; Y20-V47 HydrophobicContact CE1-CG1 4.31Å; M23-V47 HydrophobicContact CE-CB 4.1Å; M23-V47 HydrophobicContact CE-CG1 4.07Å; M23-V47 HydrophobicContact SD-CG1 4.21Å; N43-V47 WeakPolarHBondContact O-CG2 3.43Å; N43-V47 PolarHBondContact O-N 3.28Å; L44-V47 PolarHBondContact O-N 3.49Å; V47-K50 PolarHBondContact O-N 3.04Å; V47-N51 PolarHBondContact O-N 3.26Å; V47-N51 VanDerWaalsContact O-N 3.08Å; V47-N51 PolarHBondContact O-ND2 3.44Å |
| 48 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.3 | -60.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M23 V24 L44 L45 K50 N51 V52 | M23-A48 HydrophobicContact CB-CB 3.82Å; M23-A48 HydrophobicContact CE-CB 4.28Å; M23-A48 HydrophobicContact CG-CB 3.59Å; M23-A48 VanDerWaalsContact SD-CA 3.57Å; M23-A48 HydrophobicContact SD-CB 3.55Å; M23-A48 VanDerWaalsContact SD-CB 3.55Å; V24-A48 HydrophobicContact CG2-CB 3.75Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.48Å; L45-A48 PolarHBondContact O-N 3.41Å; A48-K50 PolarHBondContact O-N 2.92Å; A48-N51 PolarHBondContact O-N 3.18Å; A48-V52 WeakPolarHBondContact O-CG2 3.49Å; A48-V52 PolarHBondContact O-N 3Å; A48-V52 VanDerWaalsContact O-N 3.09Å |
| 49 | Y | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -33.9 | -176 | -88.3 | -79.7 | 0 | 0 | 0 | 113.1 | V24 L45 I53 V96 D99 I100 L103 Y128 | V24-Y49 HydrophobicContact CB-CE2 4.4Å; V24-Y49 HydrophobicContact CG1-CE1 3.97Å; V24-Y49 HydrophobicContact CG1-CE2 3.82Å; V24-Y49 HydrophobicContact CG2-CD1 4.15Å; V24-Y49 HydrophobicContact CG2-CD2 3.91Å; V24-Y49 HydrophobicContact CG2-CE1 4.26Å; V24-Y49 HydrophobicContact CG2-CE2 4.02Å; V24-Y49 HydrophobicContact CG2-CG 3.99Å; L45-Y49 HydrophobicContact CD1-CD2 3.67Å; L45-Y49 HydrophobicContact CD1-CE2 3.58Å; L45-Y49 HydrophobicContact CG-CD2 4.24Å; L45-Y49 PolarHBondContact O-N 3.13Å; L45-Y49 VanDerWaalsContact O-N 3.14Å; Y49-I53 VanDerWaalsContact O-CG2 3.28Å; Y49-I53 WeakPolarHBondContact O-CG2 3.35Å; Y49-I53 PolarHBondContact O-N 2.99Å; Y49-V96 HydrophobicContact CD1-CG1 4.06Å; Y49-V96 HydrophobicContact CE1-CG1 4.4Å; Y49-D99 HydrophobicContact CE1-CB 4.43Å; Y49-D99 PolarHBondContact OH-OD2 2.83Å; Y49-I100 HydrophobicContact CD1-CB 3.74Å; Y49-I100 HydrophobicContact CD1-CG1 4.29Å; Y49-I100 HydrophobicContact CD1-CG2 4.26Å; Y49-I100 HydrophobicContact CD2-CD1 3.86Å; Y49-I100 HydrophobicContact CD2-CG1 4.38Å; Y49-I100 HydrophobicContact CE1-CB 3.6Å; Y49-I100 HydrophobicContact CE1-CG1 4.43Å; Y49-I100 HydrophobicContact CE1-CG2 4.38Å; Y49-I100 HydrophobicContact CE2-CB 4.42Å; Y49-I100 HydrophobicContact CE2-CD1 3.81Å; Y49-I100 HydrophobicContact CG-CB 4.2Å; Y49-I100 HydrophobicContact CG-CD1 4.24Å; Y49-I100 HydrophobicContact CG-CG1 4.25Å; Y49-L103 HydrophobicContact CE2-CD1 4.18Å; Y49-L103 WeakPolarHBondContact OH-CD1 3.35Å; Y49-Y128 VanDerWaalsContact CB-OH 3.28Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.49Å; Y49-Y128 PolarHBondContact O-OH 3.45Å |
| 50 | K | 98 | Very high | 98 | Very high | 141 Ų | 141 | 38 Ų | 38 | 61% | 0.613 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.1 | -43 | 176.8 | -179.8 | -179 | 177.4 | -175.6 | 0 | 111.6 | S46 V47 A48 G54 | S46-K50 WeakPolarHBondContact O-CB 3.42Å; S46-K50 PolarHBondContact O-N 2.89Å; V47-K50 PolarHBondContact O-N 3.04Å; A48-K50 PolarHBondContact O-N 2.92Å; K50-G54 WeakPolarHBondContact O-CA 3.42Å; K50-G54 PolarHBondContact O-N 3.02Å |
| 51 | N | 98 | Very high | 97.9 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72 | -43.3 | 179.6 | -78.4 | -71 | 0 | 0 | 0 | 111.9 | Y20 V47 A48 I53 G54 S55 | Y20-N51 HydrophobicContact CD1-CB 3.62Å; Y20-N51 HydrophobicContact CD2-CB 3.37Å; Y20-N51 HydrophobicContact CE1-CB 3.84Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.24Å; Y20-N51 HydrophobicContact CE2-CB 3.57Å; Y20-N51 HydrophobicContact CG-CB 3.37Å; Y20-N51 VanDerWaalsContact CZ-CG 3.43Å; V47-N51 PolarHBondContact O-N 3.26Å; V47-N51 VanDerWaalsContact O-N 3.08Å; V47-N51 PolarHBondContact O-ND2 3.44Å; A48-N51 PolarHBondContact O-N 3.18Å; N51-I53 PolarHBondContact O-N 3.45Å; N51-G54 PolarHBondContact O-N 3.46Å; N51-S55 PolarHBondContact O-N 3.31Å |
| 52 | V | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 175.7 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | V24 A48 S55 R56 V96 | V24-V52 HydrophobicContact CG2-CG2 3.85Å; A48-V52 WeakPolarHBondContact O-CG2 3.49Å; A48-V52 PolarHBondContact O-N 3Å; A48-V52 VanDerWaalsContact O-N 3.09Å; V52-S55 PolarHBondContact O-OG 3.32Å; V52-R56 WeakPolarHBondContact O-CD 3.42Å; V52-R56 PolarHBondContact O-NH1 3.15Å; V52-V96 HydrophobicContact CG1-CB 4.49Å; V52-V96 HydrophobicContact CG1-CG1 3.84Å; V52-V96 HydrophobicContact CG1-CG2 3.73Å |
| 53 | I | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.5 | -33.8 | -178.3 | -157.7 | 163.5 | 0 | 0 | 0 | 112.6 | Y49 N51 S55 R56 R57 L93 V96 S97 Y128 Y131 | Y49-I53 VanDerWaalsContact O-CG2 3.28Å; Y49-I53 WeakPolarHBondContact O-CG2 3.35Å; Y49-I53 PolarHBondContact O-N 2.99Å; N51-I53 PolarHBondContact O-N 3.45Å; I53-S55 PolarHBondContact O-N 3.47Å; I53-R56 PolarHBondContact O-N 3.32Å; I53-R57 HydrophobicContact CG1-CG 4.17Å; I53-R57 WeakPolarHBondContact O-CG 3.47Å; I53-R57 PolarHBondContact O-N 3.32Å; I53-L93 HydrophobicContact CD1-CD2 4.3Å; I53-L93 HydrophobicContact CG1-CD2 3.61Å; I53-V96 HydrophobicContact CB-CG1 4.08Å; I53-V96 HydrophobicContact CD1-CG1 4.35Å; I53-V96 HydrophobicContact CG1-CG1 4.38Å; I53-S97 WeakPolarHBondContact CD1-OG 3.39Å; I53-Y128 HydrophobicContact CB-CE1 4.08Å; I53-Y128 HydrophobicContact CD1-CD1 3.52Å; I53-Y128 HydrophobicContact CD1-CE1 3.34Å; I53-Y128 HydrophobicContact CG1-CE1 4.29Å; I53-Y128 HydrophobicContact CG2-CE1 3.94Å; I53-Y131 HydrophobicContact CD1-CD2 3.65Å; I53-Y131 HydrophobicContact CD1-CE2 4.48Å; I53-Y131 HydrophobicContact CD1-CG 4.26Å; I53-Y131 HydrophobicContact CG1-CD2 4.46Å; I53-Y131 HydrophobicContact CG2-CD2 4.36Å; I53-Y131 HydrophobicContact CG2-CE2 4.18Å |
| 54 | G | 97.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K50 N51 R56 R57 S58 | K50-G54 WeakPolarHBondContact O-CA 3.42Å; K50-G54 PolarHBondContact O-N 3.02Å; N51-G54 PolarHBondContact O-N 3.46Å; G54-R56 PolarHBondContact O-N 3.14Å; G54-R57 PolarHBondContact O-N 3.3Å; G54-S58 WeakPolarHBondContact O-CB 3.33Å; G54-S58 PolarHBondContact O-N 3.4Å; G54-S58 PolarHBondContact O-OG 2.88Å |
| 55 | S | 96.4 | Very high | 97.8 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.5 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | N51 V52 I53 S58 S59 | N51-S55 PolarHBondContact O-N 3.31Å; V52-S55 PolarHBondContact O-OG 3.32Å; I53-S55 PolarHBondContact O-N 3.47Å; S55-S58 PolarHBondContact O-N 3.03Å; S55-S59 PolarHBondContact O-N 3.33Å; S55-S59 PolarHBondContact O-OG 3.31Å |
| 56 | R | 97.8 | Very high | 97.7 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 178.7 | -71.3 | 163.4 | 178.1 | 94.1 | -12.7 | 111.6 | D21 V52 I53 G54 S58 S59 W60 E92 L93 | D21-R56 IonicContact OD1-CZ 3.81Å; D21-R56 IonicContact OD1-NH1 2.97Å; D21-R56 IonicContact OD1-NH2 3.65Å; D21-R56 PolarHBondContact OD1-NH2 3.3Å; D21-R56 IonicContact OD2-NH2 3.56Å; V52-R56 WeakPolarHBondContact O-CD 3.42Å; V52-R56 PolarHBondContact O-NH1 3.15Å; I53-R56 PolarHBondContact O-N 3.32Å; G54-R56 PolarHBondContact O-N 3.14Å; R56-S58 VanDerWaalsContact C-N 3.35Å; R56-S58 PolarHBondContact O-N 3.17Å; R56-S59 PolarHBondContact O-N 2.64Å; R56-W60 WeakPolarHBondContact O-CB 3.38Å; R56-W60 PolarHBondContact O-N 3.16Å; R56-E92 IonicContact NE-OE2 3.11Å; R56-E92 PolarHBondContact NE-OE2 2.9Å; R56-L93 HydrophobicContact CB-CD2 3.56Å; R56-L93 HydrophobicContact CB-CG 4.1Å |
| 57 | R | 97.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 46 Ų | 46 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 174.9 | -73.5 | -178.5 | 65.7 | -120.8 | 7.1 | 111.9 | I53 G54 W60 R61 L93 Y131 E134 | I53-R57 HydrophobicContact CG1-CG 4.17Å; I53-R57 WeakPolarHBondContact O-CG 3.47Å; I53-R57 PolarHBondContact O-N 3.32Å; G54-R57 PolarHBondContact O-N 3.3Å; R57-W60 PolarHBondContact O-N 3.2Å; R57-R61 WeakPolarHBondContact O-CG 3.36Å; R57-R61 PolarHBondContact O-N 3.05Å; R57-L93 HydrophobicContact CB-CD2 4.46Å; R57-L93 HydrophobicContact CG-CD1 4.34Å; R57-L93 HydrophobicContact CG-CD2 3.51Å; R57-Y131 VanDerWaalsContact CZ-CD1 3.45Å; R57-Y131 VanDerWaalsContact NE-CD1 3.29Å; R57-E134 IonicContact CZ-OE2 3.51Å; R57-E134 IonicContact NE-OE2 2.89Å; R57-E134 PolarHBondContact NE-OE2 3.05Å; R57-E134 IonicContact NH2-OE1 2.73Å; R57-E134 PolarHBondContact NH2-OE1 2.86Å; R57-E134 IonicContact NH2-OE2 3.35Å; R57-E134 PolarHBondContact NH2-OE2 3.48Å |
| 58 | S | 97.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 50 Ų | 50 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | G54 S55 R56 W60 R61 V62 | G54-S58 WeakPolarHBondContact O-CB 3.33Å; G54-S58 PolarHBondContact O-N 3.4Å; G54-S58 PolarHBondContact O-OG 2.88Å; S55-S58 PolarHBondContact O-N 3.03Å; R56-S58 VanDerWaalsContact C-N 3.35Å; R56-S58 PolarHBondContact O-N 3.17Å; S58-W60 PolarHBondContact O-N 2.85Å; S58-R61 PolarHBondContact O-N 3.44Å; S58-V62 WeakPolarHBondContact O-CG2 3.44Å; S58-V62 PolarHBondContact O-N 3.39Å |
| 59 | S | 97.8 | Very high | 97.6 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 173.6 | -59 | 0 | 0 | 0 | 0 | 111.5 | S55 R56 R61 V62 F63 | S55-S59 PolarHBondContact O-N 3.33Å; S55-S59 PolarHBondContact O-OG 3.31Å; R56-S59 PolarHBondContact O-N 2.64Å; S59-R61 PolarHBondContact O-N 3.01Å; S59-V62 PolarHBondContact O-N 3.48Å; S59-F63 WeakPolarHBondContact O-CD2 3.22Å; S59-F63 PolarHBondContact O-N 3.2Å |
| 60 | W | 98.2 | Very high | 97.5 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | -177.6 | 173.8 | 84.4 | 0 | 0 | 0 | 111.4 | R56 R57 S58 V62 F63 S64 R86 L89 E90 L93 E134 F135 | R56-W60 WeakPolarHBondContact O-CB 3.38Å; R56-W60 PolarHBondContact O-N 3.16Å; R57-W60 PolarHBondContact O-N 3.2Å; S58-W60 PolarHBondContact O-N 2.85Å; W60-V62 VanDerWaalsContact C-N 3.32Å; W60-V62 PolarHBondContact O-N 3.43Å; W60-F63 PolarHBondContact O-N 2.98Å; W60-S64 PolarHBondContact O-N 3.35Å; W60-S64 PolarHBondContact O-OG 3.32Å; W60-R86 VanDerWaalsContact CD1-CG 3.46Å; W60-L89 HydrophobicContact CB-CB 4.15Å; W60-L89 HydrophobicContact CB-CD1 4.18Å; W60-E90 VanDerWaalsContact NE1-CG 3.31Å; W60-E90 PolarHBondContact NE1-OE1 3.37Å; W60-L93 HydrophobicContact CB-CD1 3.91Å; W60-L93 HydrophobicContact CG-CD1 4Å; W60-E134 HydrophobicContact CH2-CG 4.01Å; W60-E134 WeakPolarHBondContact CH2-O 3.45Å; W60-E134 HydrophobicContact CZ3-CG 3.68Å; W60-F135 HydrophobicContact CD2-CB 4.15Å; W60-F135 VanDerWaalsContact CE2-CB 3.48Å; W60-F135 HydrophobicContact CH2-CB 3.98Å; W60-F135 HydrophobicContact CZ2-CB 3.41Å; W60-F135 VanDerWaalsContact CZ2-CB 3.41Å |
| 61 | R | 96.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 48 Ų | 48 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 176.1 | -71 | 172.7 | 178.9 | 179 | -19.6 | 112.8 | R57 S58 S59 S64 A65 E134 | R57-R61 WeakPolarHBondContact O-CG 3.36Å; R57-R61 PolarHBondContact O-N 3.05Å; S58-R61 PolarHBondContact O-N 3.44Å; S59-R61 PolarHBondContact O-N 3.01Å; R61-S64 PolarHBondContact O-N 3.38Å; R61-A65 PolarHBondContact O-N 3.34Å; R61-E134 IonicContact CZ-OE1 3.48Å; R61-E134 IonicContact NE-OE1 2.73Å; R61-E134 PolarHBondContact NE-OE1 2.98Å; R61-E134 IonicContact NH2-OE1 3.45Å; R61-E134 PolarHBondContact NH2-OE1 3.4Å; R61-E134 IonicContact NH2-OE2 2.66Å |
| 62 | V | 97.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 53% | 0.527 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | S58 S59 W60 A65 V66 | S58-V62 WeakPolarHBondContact O-CG2 3.44Å; S58-V62 PolarHBondContact O-N 3.39Å; S59-V62 PolarHBondContact O-N 3.48Å; W60-V62 VanDerWaalsContact C-N 3.32Å; W60-V62 PolarHBondContact O-N 3.43Å; V62-A65 PolarHBondContact O-N 2.96Å; V62-V66 HydrophobicContact CG1-CG2 4.38Å; V62-V66 VanDerWaalsContact O-CG2 3.31Å; V62-V66 WeakPolarHBondContact O-CG2 3.31Å; V62-V66 PolarHBondContact O-N 2.91Å |
| 63 | F | 97 | Very high | 97.3 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.3 | -33.8 | -179.4 | -84.4 | -88.5 | 0 | 0 | 0 | 113.1 | S59 W60 V66 E67 F85 R86 L89 | S59-F63 WeakPolarHBondContact O-CD2 3.22Å; S59-F63 PolarHBondContact O-N 3.2Å; W60-F63 PolarHBondContact O-N 2.98Å; F63-V66 PolarHBondContact O-N 3.46Å; F63-E67 WeakPolarHBondContact O-CB 3.46Å; F63-E67 PolarHBondContact O-N 3.05Å; F63-F85 HydrophobicContact CB-CD1 4.5Å; F63-F85 HydrophobicContact CD1-CB 3.83Å; F63-F85 AromaticContact CD1-CD1 3.52Å; F63-F85 HydrophobicContact CD1-CD1 3.52Å; F63-F85 HydrophobicContact CD1-CE1 4.43Å; F63-F85 AromaticContact CD1-CG 3.99Å; F63-F85 HydrophobicContact CD1-CG 3.99Å; F63-F85 AromaticContact CD2-CD1 3.43Å; F63-F85 HydrophobicContact CD2-CD1 3.43Å; F63-F85 VanDerWaalsContact CD2-CD1 3.43Å; F63-F85 AromaticContact CD2-CE1 3.65Å; F63-F85 HydrophobicContact CD2-CE1 3.65Å; F63-F85 HydrophobicContact CE1-CB 3.83Å; F63-F85 AromaticContact CE1-CD1 3.38Å; F63-F85 HydrophobicContact CE1-CD1 3.38Å; F63-F85 HydrophobicContact CE1-CE1 4.05Å; F63-F85 AromaticContact CE1-CG 3.7Å; F63-F85 HydrophobicContact CE1-CG 3.7Å; F63-F85 AromaticContact CE2-CD1 3.31Å; F63-F85 HydrophobicContact CE2-CD1 3.31Å; F63-F85 AromaticContact CE2-CE1 3.21Å; F63-F85 HydrophobicContact CE2-CE1 3.21Å; F63-F85 HydrophobicContact CE2-CG 4.36Å; F63-F85 HydrophobicContact CE2-CZ 4.23Å; F63-F85 AromaticContact CG-CD1 3.54Å; F63-F85 HydrophobicContact CG-CD1 3.54Å; F63-F85 HydrophobicContact CG-CE1 4.24Å; F63-F85 HydrophobicContact CG-CG 4.42Å; F63-F85 AromaticContact CZ-CD1 3.27Å; F63-F85 HydrophobicContact CZ-CD1 3.27Å; F63-F85 AromaticContact CZ-CE1 3.43Å; F63-F85 HydrophobicContact CZ-CE1 3.43Å; F63-F85 VanDerWaalsContact CZ-CE1 3.43Å; F63-F85 AromaticContact CZ-CG 3.9Å; F63-F85 HydrophobicContact CZ-CG 3.9Å; F63-F85 HydrophobicContact CZ-CZ 4.21Å; F63-R86 HydrophobicContact CB-CB 4.32Å; F63-L89 HydrophobicContact CB-CD1 4.45Å; F63-L89 HydrophobicContact CD2-CD1 4.04Å; F63-L89 HydrophobicContact CG-CD1 4.46Å |
| 64 | S | 96.9 | Very high | 97.3 | Very high | 32 Ų | 32 | 62 Ų | 62 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 169.6 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | W60 R61 E67 Q68 R86 | W60-S64 PolarHBondContact O-N 3.35Å; W60-S64 PolarHBondContact O-OG 3.32Å; R61-S64 PolarHBondContact O-N 3.38Å; S64-E67 PolarHBondContact O-N 3.44Å; S64-Q68 PolarHBondContact O-N 2.97Å; S64-Q68 VanDerWaalsContact O-N 3.07Å; S64-R86 WeakPolarHBondContact OG-CD 3.38Å |
| 65 | A | 97.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 63.8 Ų | 63.8 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R61 V62 T69 | R61-A65 PolarHBondContact O-N 3.34Å; V62-A65 PolarHBondContact O-N 2.96Å; A65-T69 VanDerWaalsContact O-CB 3.31Å; A65-T69 WeakPolarHBondContact O-CB 3.35Å; A65-T69 PolarHBondContact O-N 2.9Å; A65-T69 PolarHBondContact O-OG1 3.39Å |
| 66 | V | 97.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | V62 F63 Q68 T69 E70 A82 | V62-V66 HydrophobicContact CG1-CG2 4.38Å; V62-V66 VanDerWaalsContact O-CG2 3.31Å; V62-V66 WeakPolarHBondContact O-CG2 3.31Å; V62-V66 PolarHBondContact O-N 2.91Å; F63-V66 PolarHBondContact O-N 3.46Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.18Å; V66-T69 PolarHBondContact O-N 3.08Å; V66-E70 HydrophobicContact CG1-CG 4.19Å; V66-E70 WeakPolarHBondContact O-CB 3.14Å; V66-E70 WeakPolarHBondContact O-CG 3.45Å; V66-E70 PolarHBondContact O-N 3Å; V66-A82 HydrophobicContact CG1-CB 4.01Å |
| 67 | E | 97.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 70.8 Ų | 70.8 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.6 | -49.6 | 175.6 | 179.1 | -177.4 | 168.4 | 0 | 0 | 111 | F63 S64 T69 E70 G71 Q79 A82 K83 R86 | F63-E67 WeakPolarHBondContact O-CB 3.46Å; F63-E67 PolarHBondContact O-N 3.05Å; S64-E67 PolarHBondContact O-N 3.44Å; E67-T69 PolarHBondContact O-N 3.5Å; E67-E70 PolarHBondContact O-N 3.26Å; E67-G71 PolarHBondContact O-N 3.13Å; E67-Q79 HydrophobicContact CG-CG 3.87Å; E67-A82 HydrophobicContact CB-CB 3.94Å; E67-K83 HydrophobicContact CG-CB 4.23Å; E67-K83 WeakPolarHBondContact OE2-CA 3.41Å; E67-R86 IonicContact OE1-NH2 3.34Å; E67-R86 PolarHBondContact OE1-NH2 3.43Å; E67-R86 IonicContact OE2-CZ 2.74Å; E67-R86 VanDerWaalsContact OE2-CZ 3.24Å; E67-R86 IonicContact OE2-NE 2.67Å; E67-R86 PolarHBondContact OE2-NE 3.45Å; E67-R86 IonicContact OE2-NH2 3.2Å; E67-R86 PolarHBondContact OE2-NH2 2.87Å |
| 68 | Q | 97.1 | Very high | 97.3 | Very high | 128 Ų | 128 | 75.5 Ų | 75.5 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 178.1 | -172.2 | -177.9 | 12.5 | 0 | 0 | 111.7 | S64 V66 G71 N72 | S64-Q68 PolarHBondContact O-N 2.97Å; S64-Q68 VanDerWaalsContact O-N 3.07Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.18Å; Q68-G71 PolarHBondContact O-N 2.98Å; Q68-N72 VanDerWaalsContact O-CG 3.28Å; Q68-N72 PolarHBondContact O-N 3.08Å; Q68-N72 PolarHBondContact O-ND2 3.06Å |
| 69 | T | 97.9 | Very high | 97.3 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 36% | 0.356 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | -179.4 | -62.4 | 0 | 0 | 0 | 0 | 112 | A65 V66 E67 N72 R73 | A65-T69 VanDerWaalsContact O-CB 3.31Å; A65-T69 WeakPolarHBondContact O-CB 3.35Å; A65-T69 PolarHBondContact O-N 2.9Å; A65-T69 PolarHBondContact O-OG1 3.39Å; V66-T69 PolarHBondContact O-N 3.08Å; E67-T69 PolarHBondContact O-N 3.5Å; T69-N72 PolarHBondContact O-N 3.27Å; T69-R73 WeakPolarHBondContact O-CG 3.3Å; T69-R73 PolarHBondContact O-N 2.86Å; T69-R73 VanDerWaalsContact O-N 3.15Å |
| 70 | E | 97.7 | Very high | 97.3 | Very high | 20 Ų | 20 | 76 Ų | 76 | 9% | 0.093 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71 | -32.7 | 179 | -66.5 | -57.4 | 131.1 | 0 | 0 | 111.9 | V66 E67 R73 G74 N75 K78 Q79 | V66-E70 HydrophobicContact CG1-CG 4.19Å; V66-E70 WeakPolarHBondContact O-CB 3.14Å; V66-E70 WeakPolarHBondContact O-CG 3.45Å; V66-E70 PolarHBondContact O-N 3Å; E67-E70 PolarHBondContact O-N 3.26Å; E70-R73 PolarHBondContact O-N 2.82Å; E70-R73 IonicContact OE1-CZ 3.12Å; E70-R73 IonicContact OE1-NH1 2.72Å; E70-R73 PolarHBondContact OE1-NH1 3.06Å; E70-G74 PolarHBondContact O-N 2.87Å; E70-N75 HydrophobicContact CB-CB 4.38Å; E70-N75 PolarHBondContact O-N 2.94Å; E70-N75 WeakPolarHBondContact OE2-CB 3.45Å; E70-N75 PolarHBondContact OE2-ND2 3.36Å; E70-K78 HydrophobicContact CB-CB 4.13Å; E70-K78 HydrophobicContact CG-CB 3.99Å; E70-K78 VanDerWaalsContact OE2-CD 3.23Å; E70-K78 WeakPolarHBondContact OE2-CD 3.35Å; E70-Q79 HydrophobicContact CB-CB 4.29Å |
| 71 | G | 96.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 79 Ų | 79 | 23% | 0.227 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E67 Q68 R73 G74 Q79 | E67-G71 PolarHBondContact O-N 3.13Å; Q68-G71 PolarHBondContact O-N 2.98Å; G71-R73 PolarHBondContact O-N 2.76Å; G71-G74 PolarHBondContact O-N 2.91Å; G71-Q79 VanDerWaalsContact CA-CD 3.49Å |
| 72 | N | 96.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 74.6 Ų | 74.6 | 72% | 0.717 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.1 | -25.6 | 176.8 | -70.4 | -16.4 | 0 | 0 | 0 | 113.2 | Q68 T69 G74 | Q68-N72 VanDerWaalsContact O-CG 3.28Å; Q68-N72 PolarHBondContact O-N 3.08Å; Q68-N72 PolarHBondContact O-ND2 3.06Å; T69-N72 PolarHBondContact O-N 3.27Å; N72-G74 VanDerWaalsContact C-N 3.34Å |
| 73 | R | 97 | Very high | 97.3 | Very high | 165 Ų | 165 | 74.8 Ų | 74.8 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.7 | 174.8 | -70.8 | 171.3 | 174.9 | 172.7 | -2.9 | 113.6 | T69 E70 G71 N75 | T69-R73 WeakPolarHBondContact O-CG 3.3Å; T69-R73 PolarHBondContact O-N 2.86Å; T69-R73 VanDerWaalsContact O-N 3.15Å; E70-R73 PolarHBondContact O-N 2.82Å; E70-R73 IonicContact OE1-CZ 3.12Å; E70-R73 IonicContact OE1-NH1 2.72Å; E70-R73 PolarHBondContact OE1-NH1 3.06Å; G71-R73 PolarHBondContact O-N 2.76Å; R73-N75 VanDerWaalsContact C-N 3.25Å; R73-N75 PolarHBondContact O-N 3.43Å |
| 74 | G | 96.2 | Very high | 97.4 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 62% | 0.619 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 14.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E70 G71 N72 A76 | E70-G74 PolarHBondContact O-N 2.87Å; G71-G74 PolarHBondContact O-N 2.91Å; N72-G74 VanDerWaalsContact C-N 3.34Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.2Å |
| 75 | N | 97.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 81.8 Ų | 81.8 | 33% | 0.326 | 44% | 0.444 | S | S | . | . | trans | -84.2 | 71.4 | -178.9 | -68.6 | -28.4 | 0 | 0 | 0 | 110.9 | E70 R73 E77 K78 Q79 | E70-N75 HydrophobicContact CB-CB 4.38Å; E70-N75 PolarHBondContact O-N 2.94Å; E70-N75 WeakPolarHBondContact OE2-CB 3.45Å; E70-N75 PolarHBondContact OE2-ND2 3.36Å; R73-N75 VanDerWaalsContact C-N 3.25Å; R73-N75 PolarHBondContact O-N 3.43Å; N75-E77 VanDerWaalsContact C-N 3.32Å; N75-E77 PolarHBondContact O-N 3.23Å; N75-K78 HydrophobicContact CB-CB 4.11Å; N75-K78 HydrophobicContact CB-CD 4.17Å; N75-K78 HydrophobicContact CB-CG 4.39Å; N75-K78 PolarHBondContact O-N 3.32Å; N75-Q79 PolarHBondContact O-N 3.04Å | ||
| 76 | A | 96.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 81.5 Ų | 81.5 | 56% | 0.562 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -53.6 | -41.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G74 Q79 A80 | G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.2Å; A76-Q79 PolarHBondContact O-N 2.91Å; A76-A80 WeakPolarHBondContact O-CB 3.32Å; A76-A80 PolarHBondContact O-N 2.7Å |
| 77 | E | 97.7 | Very high | 97.4 | Very high | 178 Ų | 178 | 82.6 Ų | 82.6 | 83% | 0.832 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 178.7 | -66.1 | -178.7 | 174.7 | 0 | 0 | 112.4 | N75 A80 C81 | N75-E77 VanDerWaalsContact C-N 3.32Å; N75-E77 PolarHBondContact O-N 3.23Å; E77-A80 PolarHBondContact O-N 2.85Å; E77-C81 PolarHBondContact O-N 2.92Å |
| 78 | K | 97.9 | Very high | 97.4 | Very high | 128 Ų | 128 | 84.4 Ų | 84.4 | 56% | 0.557 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.9 | -40.6 | 178.6 | -67.2 | -178.2 | 177.8 | 176.4 | 0 | 111.3 | E70 N75 A80 C81 A82 | E70-K78 HydrophobicContact CB-CB 4.13Å; E70-K78 HydrophobicContact CG-CB 3.99Å; E70-K78 VanDerWaalsContact OE2-CD 3.23Å; E70-K78 WeakPolarHBondContact OE2-CD 3.35Å; N75-K78 HydrophobicContact CB-CB 4.11Å; N75-K78 HydrophobicContact CB-CD 4.17Å; N75-K78 HydrophobicContact CB-CG 4.39Å; N75-K78 PolarHBondContact O-N 3.32Å; K78-A80 VanDerWaalsContact C-N 3.34Å; K78-C81 PolarHBondContact O-N 3.49Å; K78-A82 PolarHBondContact O-N 3.08Å |
| 79 | Q | 98.2 | Very high | 97.5 | Very high | 72 Ų | 72 | 78.6 Ų | 78.6 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 173.1 | -176.6 | -177 | 18.3 | 0 | 0 | 110.8 | E67 E70 G71 N75 A76 C81 A82 K83 | E67-Q79 HydrophobicContact CG-CG 3.87Å; E70-Q79 HydrophobicContact CB-CB 4.29Å; G71-Q79 VanDerWaalsContact CA-CD 3.49Å; N75-Q79 PolarHBondContact O-N 3.04Å; A76-Q79 PolarHBondContact O-N 2.91Å; Q79-C81 VanDerWaalsContact C-N 3.32Å; Q79-C81 PolarHBondContact O-N 3.14Å; Q79-A82 PolarHBondContact O-N 2.88Å; Q79-K83 WeakPolarHBondContact O-CB 3.2Å; Q79-K83 PolarHBondContact O-N 3.41Å |
| 80 | A | 97.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 77.5 Ų | 77.5 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A76 E77 K78 K84 | A76-A80 WeakPolarHBondContact O-CB 3.32Å; A76-A80 PolarHBondContact O-N 2.7Å; E77-A80 PolarHBondContact O-N 2.85Å; K78-A80 VanDerWaalsContact C-N 3.34Å; A80-K84 PolarHBondContact O-N 3.12Å |
| 81 | C | 97.7 | Very high | 97.5 | Very high | 89 Ų | 89 | 80.3 Ų | 80.3 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.8 | -47.5 | 174.8 | -170.8 | 0 | 0 | 0 | 0 | 112 | E77 K78 Q79 K83 K84 F85 | E77-C81 PolarHBondContact O-N 2.92Å; K78-C81 PolarHBondContact O-N 3.49Å; Q79-C81 VanDerWaalsContact C-N 3.32Å; Q79-C81 PolarHBondContact O-N 3.14Å; C81-K83 VanDerWaalsContact C-N 3.35Å; C81-K83 PolarHBondContact O-N 3.12Å; C81-K84 PolarHBondContact O-N 3.26Å; C81-F85 PolarHBondContact O-N 2.86Å; C81-F85 VanDerWaalsContact O-N 3.17Å |
| 82 | A | 97.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 82.3 Ų | 82.3 | 5% | 0.05 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V66 E67 K78 Q79 K84 F85 R86 | V66-A82 HydrophobicContact CG1-CB 4.01Å; E67-A82 HydrophobicContact CB-CB 3.94Å; K78-A82 PolarHBondContact O-N 3.08Å; Q79-A82 PolarHBondContact O-N 2.88Å; A82-K84 PolarHBondContact O-N 3.01Å; A82-F85 PolarHBondContact O-N 3.45Å; A82-R86 PolarHBondContact O-N 2.73Å |
| 83 | K | 97.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 39% | 0.391 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.3 | -50.1 | 174.7 | 177.3 | 171 | 176 | 179.4 | 0 | 112.3 | E67 Q79 C81 F85 R86 E87 | E67-K83 HydrophobicContact CG-CB 4.23Å; E67-K83 WeakPolarHBondContact OE2-CA 3.41Å; Q79-K83 WeakPolarHBondContact O-CB 3.2Å; Q79-K83 PolarHBondContact O-N 3.41Å; C81-K83 VanDerWaalsContact C-N 3.35Å; C81-K83 PolarHBondContact O-N 3.12Å; K83-F85 VanDerWaalsContact C-N 3.26Å; K83-F85 PolarHBondContact O-N 2.66Å; K83-R86 WeakPolarHBondContact O-CB 2.87Å; K83-R86 PolarHBondContact O-N 2.73Å; K83-R86 VanDerWaalsContact O-N 3.15Å; K83-E87 WeakPolarHBondContact CE-OE1 3.03Å; K83-E87 HydrophobicContact CG-CG 4.5Å; K83-E87 IonicContact NZ-OE1 3.92Å; K83-E87 WeakPolarHBondContact O-CG 3.32Å; K83-E87 PolarHBondContact O-N 3.48Å |
| 84 | K | 97.9 | Very high | 97.7 | Very high | 150 Ų | 150 | 70.1 Ų | 70.1 | 65% | 0.652 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.7 | -39.5 | 179.5 | -176.8 | 178.5 | 178.6 | -179.3 | 0 | 111.8 | A80 C81 A82 V88 | A80-K84 PolarHBondContact O-N 3.12Å; C81-K84 PolarHBondContact O-N 3.26Å; A82-K84 PolarHBondContact O-N 3.01Å; K84-V88 WeakPolarHBondContact O-CG2 3.23Å; K84-V88 PolarHBondContact O-N 2.93Å |
| 85 | F | 97.2 | Very high | 97.8 | Very high | 94 Ų | 94 | 74.8 Ų | 74.8 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71 | -39.7 | 177.4 | -163.8 | -94 | 0 | 0 | 0 | 112.1 | F63 C81 A82 K83 E87 V88 L89 | F63-F85 HydrophobicContact CB-CD1 4.5Å; F63-F85 HydrophobicContact CD1-CB 3.83Å; F63-F85 AromaticContact CD1-CD1 3.52Å; F63-F85 HydrophobicContact CD1-CD1 3.52Å; F63-F85 HydrophobicContact CD1-CE1 4.43Å; F63-F85 AromaticContact CD1-CG 3.99Å; F63-F85 HydrophobicContact CD1-CG 3.99Å; F63-F85 AromaticContact CD2-CD1 3.43Å; F63-F85 HydrophobicContact CD2-CD1 3.43Å; F63-F85 VanDerWaalsContact CD2-CD1 3.43Å; F63-F85 AromaticContact CD2-CE1 3.65Å; F63-F85 HydrophobicContact CD2-CE1 3.65Å; F63-F85 HydrophobicContact CE1-CB 3.83Å; F63-F85 AromaticContact CE1-CD1 3.38Å; F63-F85 HydrophobicContact CE1-CD1 3.38Å; F63-F85 HydrophobicContact CE1-CE1 4.05Å; F63-F85 AromaticContact CE1-CG 3.7Å; F63-F85 HydrophobicContact CE1-CG 3.7Å; F63-F85 AromaticContact CE2-CD1 3.31Å; F63-F85 HydrophobicContact CE2-CD1 3.31Å; F63-F85 AromaticContact CE2-CE1 3.21Å; F63-F85 HydrophobicContact CE2-CE1 3.21Å; F63-F85 HydrophobicContact CE2-CG 4.36Å; F63-F85 HydrophobicContact CE2-CZ 4.23Å; F63-F85 AromaticContact CG-CD1 3.54Å; F63-F85 HydrophobicContact CG-CD1 3.54Å; F63-F85 HydrophobicContact CG-CE1 4.24Å; F63-F85 HydrophobicContact CG-CG 4.42Å; F63-F85 AromaticContact CZ-CD1 3.27Å; F63-F85 HydrophobicContact CZ-CD1 3.27Å; F63-F85 AromaticContact CZ-CE1 3.43Å; F63-F85 HydrophobicContact CZ-CE1 3.43Å; F63-F85 VanDerWaalsContact CZ-CE1 3.43Å; F63-F85 AromaticContact CZ-CG 3.9Å; F63-F85 HydrophobicContact CZ-CG 3.9Å; F63-F85 HydrophobicContact CZ-CZ 4.21Å; C81-F85 PolarHBondContact O-N 2.86Å; C81-F85 VanDerWaalsContact O-N 3.17Å; A82-F85 PolarHBondContact O-N 3.45Å; K83-F85 VanDerWaalsContact C-N 3.26Å; K83-F85 PolarHBondContact O-N 2.66Å; F85-E87 VanDerWaalsContact C-N 3.33Å; F85-E87 PolarHBondContact O-N 3.41Å; F85-V88 WeakPolarHBondContact O-CB 3.43Å; F85-V88 PolarHBondContact O-N 2.7Å; F85-L89 HydrophobicContact CD1-CD1 3.73Å; F85-L89 HydrophobicContact CD1-CG 4.13Å; F85-L89 HydrophobicContact CE1-CD1 3.69Å; F85-L89 HydrophobicContact CE1-CD2 4.23Å; F85-L89 HydrophobicContact CE1-CG 3.97Å; F85-L89 PolarHBondContact O-N 2.96Å; F85-L89 VanDerWaalsContact O-N 3.09Å |
| 86 | R | 97.2 | Very high | 97.9 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.3 | -46 | 172.2 | -177.8 | -177.9 | 51.7 | 81.1 | -2.8 | 111.7 | W60 F63 S64 E67 A82 K83 V88 L89 E90 | W60-R86 VanDerWaalsContact CD1-CG 3.46Å; F63-R86 HydrophobicContact CB-CB 4.32Å; S64-R86 WeakPolarHBondContact OG-CD 3.38Å; E67-R86 IonicContact OE1-NH2 3.34Å; E67-R86 PolarHBondContact OE1-NH2 3.43Å; E67-R86 IonicContact OE2-CZ 2.74Å; E67-R86 VanDerWaalsContact OE2-CZ 3.24Å; E67-R86 IonicContact OE2-NE 2.67Å; E67-R86 PolarHBondContact OE2-NE 3.45Å; E67-R86 IonicContact OE2-NH2 3.2Å; E67-R86 PolarHBondContact OE2-NH2 2.87Å; A82-R86 PolarHBondContact O-N 2.73Å; K83-R86 WeakPolarHBondContact O-CB 2.87Å; K83-R86 PolarHBondContact O-N 2.73Å; K83-R86 VanDerWaalsContact O-N 3.15Å; R86-V88 VanDerWaalsContact C-N 3.3Å; R86-V88 PolarHBondContact O-N 3.37Å; R86-L89 WeakPolarHBondContact O-CB 3.48Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-L89 VanDerWaalsContact O-N 3.1Å; R86-E90 WeakPolarHBondContact CG-OE1 3.49Å; R86-E90 IonicContact CZ-OE1 3.24Å; R86-E90 IonicContact NE-OE1 3.49Å; R86-E90 VanDerWaalsContact NH1-CD 3.35Å; R86-E90 IonicContact NH1-OE1 2.95Å; R86-E90 PolarHBondContact NH1-OE1 3.29Å; R86-E90 IonicContact NH1-OE2 2.69Å; R86-E90 PolarHBondContact NH1-OE2 3.34Å; R86-E90 WeakPolarHBondContact O-CG 3.01Å; R86-E90 PolarHBondContact O-N 2.87Å |
| 87 | E | 97.5 | Very high | 98 | Very high | 83 Ų | 83 | 69.1 Ų | 69.1 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -32.3 | 178.9 | -71.1 | 171.6 | 169.3 | 0 | 0 | 112.9 | K83 F85 S91 | K83-E87 WeakPolarHBondContact CE-OE1 3.03Å; K83-E87 HydrophobicContact CG-CG 4.5Å; K83-E87 IonicContact NZ-OE1 3.92Å; K83-E87 WeakPolarHBondContact O-CG 3.32Å; K83-E87 PolarHBondContact O-N 3.48Å; F85-E87 VanDerWaalsContact C-N 3.33Å; F85-E87 PolarHBondContact O-N 3.41Å; E87-S91 PolarHBondContact O-N 3.33Å; E87-S91 VanDerWaalsContact O-N 3.15Å; E87-S91 PolarHBondContact O-OG 3.47Å |
| 88 | V | 98.1 | Very high | 98 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 171.1 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | K84 F85 R86 E90 S91 E92 | K84-V88 WeakPolarHBondContact O-CG2 3.23Å; K84-V88 PolarHBondContact O-N 2.93Å; F85-V88 WeakPolarHBondContact O-CB 3.43Å; F85-V88 PolarHBondContact O-N 2.7Å; R86-V88 VanDerWaalsContact C-N 3.3Å; R86-V88 PolarHBondContact O-N 3.37Å; V88-E90 VanDerWaalsContact C-N 3.3Å; V88-E90 PolarHBondContact O-N 3.4Å; V88-S91 WeakPolarHBondContact O-CB 3.32Å; V88-S91 PolarHBondContact O-N 3.2Å; V88-S91 VanDerWaalsContact O-N 3.15Å; V88-E92 PolarHBondContact O-N 3.19Å |
| 89 | L | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 177.9 | -67 | 169.3 | 0 | 0 | 0 | 112.1 | W60 F63 F85 R86 S91 E92 L93 | W60-L89 HydrophobicContact CB-CB 4.15Å; W60-L89 HydrophobicContact CB-CD1 4.18Å; F63-L89 HydrophobicContact CB-CD1 4.45Å; F63-L89 HydrophobicContact CD2-CD1 4.04Å; F63-L89 HydrophobicContact CG-CD1 4.46Å; F85-L89 HydrophobicContact CD1-CD1 3.73Å; F85-L89 HydrophobicContact CD1-CG 4.13Å; F85-L89 HydrophobicContact CE1-CD1 3.69Å; F85-L89 HydrophobicContact CE1-CD2 4.23Å; F85-L89 HydrophobicContact CE1-CG 3.97Å; F85-L89 PolarHBondContact O-N 2.96Å; F85-L89 VanDerWaalsContact O-N 3.09Å; R86-L89 WeakPolarHBondContact O-CB 3.48Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-L89 VanDerWaalsContact O-N 3.1Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 3.49Å; L89-E92 PolarHBondContact O-N 3.02Å; L89-L93 WeakPolarHBondContact O-CB 3.31Å; L89-L93 VanDerWaalsContact O-CG 3.23Å; L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 2.9Å |
| 90 | E | 98.3 | Very high | 98 | Very high | 34 Ų | 34 | 58.2 Ų | 58.2 | 16% | 0.159 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 173.9 | -72.9 | 170.5 | -179.1 | 0 | 0 | 111.7 | W60 R86 V88 E92 L93 D94 F135 | W60-E90 VanDerWaalsContact NE1-CG 3.31Å; W60-E90 PolarHBondContact NE1-OE1 3.37Å; R86-E90 WeakPolarHBondContact CG-OE1 3.49Å; R86-E90 IonicContact CZ-OE1 3.24Å; R86-E90 IonicContact NE-OE1 3.49Å; R86-E90 VanDerWaalsContact NH1-CD 3.35Å; R86-E90 IonicContact NH1-OE1 2.95Å; R86-E90 PolarHBondContact NH1-OE1 3.29Å; R86-E90 IonicContact NH1-OE2 2.69Å; R86-E90 PolarHBondContact NH1-OE2 3.34Å; R86-E90 WeakPolarHBondContact O-CG 3.01Å; R86-E90 PolarHBondContact O-N 2.87Å; V88-E90 VanDerWaalsContact C-N 3.3Å; V88-E90 PolarHBondContact O-N 3.4Å; E90-E92 VanDerWaalsContact C-N 3.33Å; E90-E92 PolarHBondContact O-N 2.73Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-D94 VanDerWaalsContact O-CB 3.29Å; E90-D94 WeakPolarHBondContact O-CB 3.5Å; E90-D94 PolarHBondContact O-N 2.87Å; E90-F135 HydrophobicContact CB-CD2 4.06Å; E90-F135 HydrophobicContact CG-CB 4.04Å; E90-F135 HydrophobicContact CG-CD2 3.94Å; E90-F135 HydrophobicContact CG-CG 4.22Å |
| 91 | S | 98.1 | Very high | 98.1 | Very high | 80 Ų | 80 | 56 Ų | 56 | 56% | 0.559 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 112 | E87 V88 L89 R95 | E87-S91 PolarHBondContact O-N 3.33Å; E87-S91 VanDerWaalsContact O-N 3.15Å; E87-S91 PolarHBondContact O-OG 3.47Å; V88-S91 WeakPolarHBondContact O-CB 3.32Å; V88-S91 PolarHBondContact O-N 3.2Å; V88-S91 VanDerWaalsContact O-N 3.15Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 3.49Å; S91-R95 WeakPolarHBondContact O-CB 3.41Å; S91-R95 PolarHBondContact O-N 3.27Å |
| 92 | E | 98.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 175.1 | -68.2 | -179 | -170.7 | 0 | 0 | 112.4 | R56 V88 L89 E90 R95 V96 | R56-E92 IonicContact NE-OE2 3.11Å; R56-E92 PolarHBondContact NE-OE2 2.9Å; V88-E92 PolarHBondContact O-N 3.19Å; L89-E92 PolarHBondContact O-N 3.02Å; E90-E92 VanDerWaalsContact C-N 3.33Å; E90-E92 PolarHBondContact O-N 2.73Å; E92-R95 PolarHBondContact O-N 3.43Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 3Å |
| 93 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.8 | -73.7 | 172.2 | 0 | 0 | 0 | 111.7 | I53 R56 R57 W60 L89 E90 V96 S97 F135 | I53-L93 HydrophobicContact CD1-CD2 4.3Å; I53-L93 HydrophobicContact CG1-CD2 3.61Å; R56-L93 HydrophobicContact CB-CD2 3.56Å; R56-L93 HydrophobicContact CB-CG 4.1Å; R57-L93 HydrophobicContact CB-CD2 4.46Å; R57-L93 HydrophobicContact CG-CD1 4.34Å; R57-L93 HydrophobicContact CG-CD2 3.51Å; W60-L93 HydrophobicContact CB-CD1 3.91Å; W60-L93 HydrophobicContact CG-CD1 4Å; L89-L93 WeakPolarHBondContact O-CB 3.31Å; L89-L93 VanDerWaalsContact O-CG 3.23Å; L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 2.9Å; E90-L93 PolarHBondContact O-N 3.45Å; L93-V96 PolarHBondContact O-N 3.43Å; L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.02Å; L93-S97 PolarHBondContact O-N 3.45Å; L93-S97 PolarHBondContact O-OG 3.49Å; L93-F135 HydrophobicContact CB-CD1 4.06Å; L93-F135 HydrophobicContact CB-CE1 3.51Å; L93-F135 HydrophobicContact CB-CZ 3.84Å; L93-F135 HydrophobicContact CD1-CD1 3.81Å; L93-F135 HydrophobicContact CD1-CE1 4.14Å; L93-F135 HydrophobicContact CD1-CG 4.39Å; L93-F135 HydrophobicContact CG-CE1 4.4Å |
| 94 | D | 98.2 | Very high | 98.2 | Very high | 44 Ų | 44 | 53 Ų | 53 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 175.5 | 178.1 | 76.3 | 0 | 0 | 0 | 111.1 | E90 S97 K98 M132 F135 | E90-D94 VanDerWaalsContact O-CB 3.29Å; E90-D94 WeakPolarHBondContact O-CB 3.5Å; E90-D94 PolarHBondContact O-N 2.87Å; D94-S97 PolarHBondContact O-N 2.9Å; D94-K98 WeakPolarHBondContact O-CB 3.27Å; D94-K98 WeakPolarHBondContact O-CG 3.46Å; D94-K98 PolarHBondContact O-N 3.07Å; D94-K98 WeakPolarHBondContact OD1-CE 3.49Å; D94-K98 IonicContact OD1-NZ 3.81Å; D94-K98 PolarHBondContact OD1-NZ 3.47Å; D94-K98 WeakPolarHBondContact OD2-CD 3.35Å; D94-K98 WeakPolarHBondContact OD2-CE 3.35Å; D94-K98 IonicContact OD2-NZ 3.12Å; D94-K98 PolarHBondContact OD2-NZ 3.3Å; D94-M132 WeakPolarHBondContact OD1-CE 3.48Å; D94-F135 HydrophobicContact CB-CE2 4.22Å; D94-F135 HydrophobicContact CB-CZ 4.13Å |
| 95 | R | 98.4 | Very high | 98.2 | Very high | 158 Ų | 158 | 49.1 Ų | 49.1 | 60% | 0.596 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.5 | -51.7 | 177.1 | -174.6 | -178.1 | 69.2 | 176.7 | 2.1 | 112.1 | S91 E92 S97 K98 D99 | S91-R95 WeakPolarHBondContact O-CB 3.41Å; S91-R95 PolarHBondContact O-N 3.27Å; E92-R95 PolarHBondContact O-N 3.43Å; R95-S97 VanDerWaalsContact C-N 3.28Å; R95-S97 PolarHBondContact O-N 3.41Å; R95-K98 PolarHBondContact O-N 2.93Å; R95-D99 WeakPolarHBondContact O-CB 3.08Å; R95-D99 PolarHBondContact O-N 3.18Å |
| 96 | V | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | -179.4 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | Y49 V52 I53 E92 L93 I100 Y128 | Y49-V96 HydrophobicContact CD1-CG1 4.06Å; Y49-V96 HydrophobicContact CE1-CG1 4.4Å; V52-V96 HydrophobicContact CG1-CB 4.49Å; V52-V96 HydrophobicContact CG1-CG1 3.84Å; V52-V96 HydrophobicContact CG1-CG2 3.73Å; I53-V96 HydrophobicContact CB-CG1 4.08Å; I53-V96 HydrophobicContact CD1-CG1 4.35Å; I53-V96 HydrophobicContact CG1-CG1 4.38Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 3Å; L93-V96 PolarHBondContact O-N 3.43Å; V96-I100 PolarHBondContact O-N 2.77Å; V96-Y128 HydrophobicContact CG1-CE1 4.47Å |
| 97 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -46.9 | 179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | I53 L93 D94 R95 D99 I100 L101 | I53-S97 WeakPolarHBondContact CD1-OG 3.39Å; L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.02Å; L93-S97 PolarHBondContact O-N 3.45Å; L93-S97 PolarHBondContact O-OG 3.49Å; D94-S97 PolarHBondContact O-N 2.9Å; R95-S97 VanDerWaalsContact C-N 3.28Å; R95-S97 PolarHBondContact O-N 3.41Å; S97-D99 VanDerWaalsContact C-N 3.29Å; S97-D99 PolarHBondContact O-N 3.2Å; S97-I100 VanDerWaalsContact O-CG2 3.28Å; S97-I100 WeakPolarHBondContact O-CG2 3.47Å; S97-L101 VanDerWaalsContact O-CB 3.32Å; S97-L101 WeakPolarHBondContact O-CB 3.31Å; S97-L101 WeakPolarHBondContact O-CD1 3.32Å; S97-L101 WeakPolarHBondContact O-CG 3.41Å; S97-L101 PolarHBondContact O-N 3.44Å |
| 98 | K | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 45.1 Ų | 45.1 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -38 | 177.5 | -75.6 | 172.9 | 177.7 | 161.7 | 0 | 112.5 | D94 R95 L101 E102 M132 | D94-K98 WeakPolarHBondContact O-CB 3.27Å; D94-K98 WeakPolarHBondContact O-CG 3.46Å; D94-K98 PolarHBondContact O-N 3.07Å; D94-K98 WeakPolarHBondContact OD1-CE 3.49Å; D94-K98 IonicContact OD1-NZ 3.81Å; D94-K98 PolarHBondContact OD1-NZ 3.47Å; D94-K98 WeakPolarHBondContact OD2-CD 3.35Å; D94-K98 WeakPolarHBondContact OD2-CE 3.35Å; D94-K98 IonicContact OD2-NZ 3.12Å; D94-K98 PolarHBondContact OD2-NZ 3.3Å; R95-K98 PolarHBondContact O-N 2.93Å; K98-L101 PolarHBondContact O-N 3.45Å; K98-E102 WeakPolarHBondContact O-CB 3.27Å; K98-E102 PolarHBondContact O-N 2.85Å; K98-M132 HydrophobicContact CG-CE 4.42Å |
| 99 | D | 98.4 | Very high | 98.4 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.214 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -54 | 179.5 | -166 | 19.8 | 0 | 0 | 0 | 111.8 | K28 Y49 R95 S97 L101 E102 L103 | K28-D99 VanDerWaalsContact CE-OD1 3.25Å; K28-D99 WeakPolarHBondContact CE-OD1 3.43Å; K28-D99 IonicContact NZ-OD1 3.25Å; K28-D99 PolarHBondContact NZ-OD1 2.86Å; K28-D99 IonicContact NZ-OD2 2.98Å; K28-D99 PolarHBondContact NZ-OD2 2.96Å; Y49-D99 HydrophobicContact CE1-CB 4.43Å; Y49-D99 PolarHBondContact OH-OD2 2.83Å; R95-D99 WeakPolarHBondContact O-CB 3.08Å; R95-D99 PolarHBondContact O-N 3.18Å; S97-D99 VanDerWaalsContact C-N 3.29Å; S97-D99 PolarHBondContact O-N 3.2Å; D99-L101 PolarHBondContact O-N 2.89Å; D99-E102 PolarHBondContact O-N 3.44Å; D99-L103 WeakPolarHBondContact O-CG 3.38Å; D99-L103 PolarHBondContact O-N 2.91Å |
| 100 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -35.5 | 178.3 | -173.4 | 56 | 0 | 0 | 0 | 113.1 | L45 Y49 V96 S97 E102 L103 I104 M124 Y128 | L45-I100 HydrophobicContact CD1-CD1 4.41Å; L45-I100 HydrophobicContact CD2-CD1 4.29Å; L45-I100 HydrophobicContact CG-CD1 4.44Å; Y49-I100 HydrophobicContact CD1-CB 3.74Å; Y49-I100 HydrophobicContact CD1-CG1 4.29Å; Y49-I100 HydrophobicContact CD1-CG2 4.26Å; Y49-I100 HydrophobicContact CD2-CD1 3.86Å; Y49-I100 HydrophobicContact CD2-CG1 4.38Å; Y49-I100 HydrophobicContact CE1-CB 3.6Å; Y49-I100 HydrophobicContact CE1-CG1 4.43Å; Y49-I100 HydrophobicContact CE1-CG2 4.38Å; Y49-I100 HydrophobicContact CE2-CB 4.42Å; Y49-I100 HydrophobicContact CE2-CD1 3.81Å; Y49-I100 HydrophobicContact CG-CB 4.2Å; Y49-I100 HydrophobicContact CG-CD1 4.24Å; Y49-I100 HydrophobicContact CG-CG1 4.25Å; V96-I100 PolarHBondContact O-N 2.77Å; S97-I100 VanDerWaalsContact O-CG2 3.28Å; S97-I100 WeakPolarHBondContact O-CG2 3.47Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.31Å; I100-L103 HydrophobicContact CD1-CB 4.4Å; I100-L103 HydrophobicContact CD1-CD1 4.32Å; I100-L103 PolarHBondContact O-N 2.95Å; I100-I104 HydrophobicContact CD1-CD1 4.38Å; I100-I104 HydrophobicContact CD1-CG1 4.23Å; I100-I104 HydrophobicContact CG1-CD1 3.87Å; I100-I104 HydrophobicContact CG1-CG1 4.22Å; I100-I104 WeakPolarHBondContact O-CB 3.46Å; I100-I104 VanDerWaalsContact O-CG1 3.24Å; I100-I104 WeakPolarHBondContact O-CG1 3.39Å; I100-I104 PolarHBondContact O-N 3.34Å; I100-M124 HydrophobicContact CD1-CE 3.7Å; I100-M124 HydrophobicContact CD1-SD 4.2Å; I100-M124 HydrophobicContact CG1-CE 3.55Å; I100-M124 HydrophobicContact CG1-SD 4.16Å; I100-Y128 HydrophobicContact CG1-CD2 4.47Å; I100-Y128 HydrophobicContact CG1-CE2 4.37Å; I100-Y128 HydrophobicContact CG2-CD1 3.37Å; I100-Y128 HydrophobicContact CG2-CD2 3.66Å; I100-Y128 HydrophobicContact CG2-CE1 3.58Å; I100-Y128 HydrophobicContact CG2-CE2 3.94Å; I100-Y128 HydrophobicContact CG2-CG 3.41Å; I100-Y128 VanDerWaalsContact CG2-CG 3.41Å |
| 101 | L | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.6 | -72.3 | 169.8 | 0 | 0 | 0 | 111.2 | S97 K98 D99 I104 D105 K125 F129 M132 | S97-L101 VanDerWaalsContact O-CB 3.32Å; S97-L101 WeakPolarHBondContact O-CB 3.31Å; S97-L101 WeakPolarHBondContact O-CD1 3.32Å; S97-L101 WeakPolarHBondContact O-CG 3.41Å; S97-L101 PolarHBondContact O-N 3.44Å; K98-L101 PolarHBondContact O-N 3.45Å; D99-L101 PolarHBondContact O-N 2.89Å; L101-I104 PolarHBondContact O-N 3.23Å; L101-D105 PolarHBondContact O-N 2.89Å; L101-K125 HydrophobicContact CD2-CB 4.35Å; L101-K125 HydrophobicContact CD2-CG 3.72Å; L101-F129 HydrophobicContact CD1-CD1 3.95Å; L101-F129 HydrophobicContact CD1-CD2 4.42Å; L101-F129 HydrophobicContact CD1-CE1 3.68Å; L101-F129 HydrophobicContact CD1-CE2 4.18Å; L101-F129 HydrophobicContact CD1-CG 4.31Å; L101-F129 HydrophobicContact CD1-CZ 3.8Å; L101-F129 HydrophobicContact CD2-CD2 3.8Å; L101-F129 HydrophobicContact CD2-CE2 3.61Å; L101-F129 HydrophobicContact CD2-CG 4.37Å; L101-F129 HydrophobicContact CD2-CZ 4.04Å; L101-F129 HydrophobicContact CG-CZ 4.49Å; L101-M132 HydrophobicContact CD1-SD 3.69Å |
| 102 | E | 98.5 | Very high | 98.2 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.6 | -45 | 174.5 | -175.3 | 174.8 | 175.3 | 0 | 0 | 111.5 | K98 D99 I100 I104 D105 K106 | K98-E102 WeakPolarHBondContact O-CB 3.27Å; K98-E102 PolarHBondContact O-N 2.85Å; D99-E102 PolarHBondContact O-N 3.44Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.31Å; E102-I104 VanDerWaalsContact C-N 3.35Å; E102-I104 PolarHBondContact O-N 3.1Å; E102-D105 PolarHBondContact O-N 3.16Å; E102-K106 WeakPolarHBondContact O-CB 3.2Å; E102-K106 PolarHBondContact O-N 3.14Å |
| 103 | L | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 177.7 | -65.2 | 169.5 | 0 | 0 | 0 | 112.4 | K28 V31 E32 Y49 D99 I100 Y107 L108 | K28-L103 HydrophobicContact CD-CD1 4.47Å; K28-L103 HydrophobicContact CG-CD1 3.71Å; V31-L103 HydrophobicContact CB-CD2 4.43Å; V31-L103 HydrophobicContact CG1-CB 4.14Å; V31-L103 HydrophobicContact CG1-CD2 4.02Å; E32-L103 HydrophobicContact CG-CD2 4.26Å; Y49-L103 HydrophobicContact CE2-CD1 4.18Å; Y49-L103 WeakPolarHBondContact OH-CD1 3.35Å; D99-L103 WeakPolarHBondContact O-CG 3.38Å; D99-L103 PolarHBondContact O-N 2.91Å; I100-L103 HydrophobicContact CD1-CB 4.4Å; I100-L103 HydrophobicContact CD1-CD1 4.32Å; I100-L103 PolarHBondContact O-N 2.95Å; L103-Y107 HydrophobicContact CD2-CD2 4.15Å; L103-Y107 HydrophobicContact CD2-CE2 4.29Å; L103-Y107 PolarHBondContact O-N 2.74Å; L103-L108 PolarHBondContact O-N 3.44Å; L103-L108 VanDerWaalsContact O-N 3.1Å |
| 104 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -58.6 | -51.8 | 177.5 | -73.6 | 168.4 | 0 | 0 | 0 | 110.6 | I100 L101 E102 L108 I109 M124 K125 | I100-I104 HydrophobicContact CD1-CD1 4.38Å; I100-I104 HydrophobicContact CD1-CG1 4.23Å; I100-I104 HydrophobicContact CG1-CD1 3.87Å; I100-I104 HydrophobicContact CG1-CG1 4.22Å; I100-I104 WeakPolarHBondContact O-CB 3.46Å; I100-I104 VanDerWaalsContact O-CG1 3.24Å; I100-I104 WeakPolarHBondContact O-CG1 3.39Å; I100-I104 PolarHBondContact O-N 3.34Å; L101-I104 PolarHBondContact O-N 3.23Å; E102-I104 VanDerWaalsContact C-N 3.35Å; E102-I104 PolarHBondContact O-N 3.1Å; I104-L108 HydrophobicContact CG1-CD1 3.88Å; I104-L108 PolarHBondContact O-N 3.16Å; I104-I109 HydrophobicContact CG2-CD1 3.44Å; I104-I109 VanDerWaalsContact CG2-CD1 3.44Å; I104-I109 HydrophobicContact CG2-CG1 3.79Å; I104-I109 PolarHBondContact O-N 3.36Å; I104-M124 HydrophobicContact CD1-CB 4.03Å; I104-M124 HydrophobicContact CD1-CG 3.96Å; I104-M124 HydrophobicContact CD1-SD 4.16Å; I104-K125 HydrophobicContact CD1-CB 4.3Å; I104-K125 HydrophobicContact CG2-CB 4.16Å; I104-K125 HydrophobicContact CG2-CD 4.32Å |
| 105 | D | 98.2 | Very high | 98 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -75.9 | -35.7 | -174.7 | -76.8 | -16.8 | 0 | 0 | 0 | 112.8 | L101 E102 K110 K125 | L101-D105 PolarHBondContact O-N 2.89Å; E102-D105 PolarHBondContact O-N 3.16Å; D105-K110 VanDerWaalsContact O-CE 3.22Å; D105-K110 WeakPolarHBondContact O-CE 3.41Å; D105-K125 WeakPolarHBondContact OD1-CE 3.44Å; D105-K125 IonicContact OD1-NZ 3.9Å; D105-K125 PolarHBondContact OD1-NZ 2.98Å; D105-K125 IonicContact OD2-NZ 3.38Å; D105-K125 PolarHBondContact OD2-NZ 3.39Å |
| 106 | K | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -80.4 | -37.9 | -175 | -170.4 | 172.9 | 172.6 | -160.8 | 0 | 112.5 | E102 K110 | E102-K106 WeakPolarHBondContact O-CB 3.2Å; E102-K106 PolarHBondContact O-N 3.14Å; K106-K110 WeakPolarHBondContact O-CD 3.29Å; K106-K110 PolarHBondContact O-NZ 2.94Å |
| 107 | Y | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -123.6 | -58.2 | -171 | -56.8 | -82.2 | 0 | 0 | 0 | 112.9 | V31 E32 A34 L103 K110 S111 | V31-Y107 HydrophobicContact CG1-CD2 4.07Å; V31-Y107 HydrophobicContact CG1-CG 4.06Å; E32-Y107 HydrophobicContact CG-CE2 3.88Å; A34-Y107 HydrophobicContact CB-CD1 3.96Å; A34-Y107 HydrophobicContact CB-CE1 4.3Å; L103-Y107 HydrophobicContact CD2-CD2 4.15Å; L103-Y107 HydrophobicContact CD2-CE2 4.29Å; L103-Y107 PolarHBondContact O-N 2.74Å; Y107-K110 PolarHBondContact O-N 3.37Å; Y107-S111 WeakPolarHBondContact O-CB 3.36Å; Y107-S111 PolarHBondContact O-N 2.78Å; Y107-S111 PolarHBondContact O-OG 3.44Å |
| 108 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -68.1 | -46.8 | -162.3 | -60.3 | 169.3 | 0 | 0 | 0 | 113.8 | V31 L37 L45 L103 I104 K110 S111 A112 Y121 | V31-L108 HydrophobicContact CB-CD2 4.43Å; V31-L108 HydrophobicContact CG1-CD1 4.49Å; V31-L108 HydrophobicContact CG1-CD2 3.75Å; V31-L108 HydrophobicContact CG1-CG 3.88Å; V31-L108 HydrophobicContact CG2-CD2 3.82Å; L37-L108 HydrophobicContact CD1-CD2 3.67Å; L37-L108 HydrophobicContact CG-CD2 3.95Å; L45-L108 HydrophobicContact CD2-CD1 3.6Å; L45-L108 HydrophobicContact CD2-CD2 4.27Å; L103-L108 PolarHBondContact O-N 3.44Å; L103-L108 VanDerWaalsContact O-N 3.1Å; I104-L108 HydrophobicContact CG1-CD1 3.88Å; I104-L108 PolarHBondContact O-N 3.16Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 3.08Å; L108-S111 PolarHBondContact O-OG 3.3Å; L108-A112 VanDerWaalsContact O-CB 3.32Å; L108-A112 WeakPolarHBondContact O-CB 3.48Å; L108-A112 PolarHBondContact O-N 3.24Å; L108-Y121 HydrophobicContact CB-CD1 3.86Å; L108-Y121 HydrophobicContact CB-CD2 3.74Å; L108-Y121 HydrophobicContact CB-CE1 3.97Å; L108-Y121 HydrophobicContact CB-CE2 3.85Å; L108-Y121 HydrophobicContact CB-CG 3.77Å; L108-Y121 HydrophobicContact CD1-CD1 3.92Å; L108-Y121 HydrophobicContact CD1-CE1 3.95Å; L108-Y121 HydrophobicContact CD2-CE1 3.95Å; L108-Y121 HydrophobicContact CD2-CE2 4.48Å; L108-Y121 HydrophobicContact CG-CD1 4.35Å; L108-Y121 HydrophobicContact CG-CE1 4.19Å; L108-Y121 WeakPolarHBondContact O-CD2 3.38Å; L108-Y121 WeakPolarHBondContact O-CE2 3.47Å |
| 109 | I | 97.8 | Very high | 97.9 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -35.7 | 177.1 | -72.6 | 173.4 | 0 | 0 | 0 | 110.6 | I104 L122 K125 | I104-I109 HydrophobicContact CG2-CD1 3.44Å; I104-I109 VanDerWaalsContact CG2-CD1 3.44Å; I104-I109 HydrophobicContact CG2-CG1 3.79Å; I104-I109 PolarHBondContact O-N 3.36Å; I109-L122 HydrophobicContact CD1-CD2 3.74Å; I109-L122 HydrophobicContact CD1-CG 4.2Å; I109-K125 HydrophobicContact CD1-CD 4.42Å |
| 110 | K | 96.5 | Very high | 97.9 | Very high | 159 Ų | 159 | 46.1 Ų | 46.1 | 69% | 0.691 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -72.3 | -35.5 | -178.6 | -63.9 | -172.7 | -168.1 | 151.5 | 0 | 112.8 | D105 K106 Y107 L108 | D105-K110 VanDerWaalsContact O-CE 3.22Å; D105-K110 WeakPolarHBondContact O-CE 3.41Å; K106-K110 WeakPolarHBondContact O-CD 3.29Å; K106-K110 PolarHBondContact O-NZ 2.94Å; Y107-K110 PolarHBondContact O-N 3.37Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 3.08Å |
| 111 | S | 96.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -85.5 | -17.7 | 179 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | Y107 L108 T113 | Y107-S111 WeakPolarHBondContact O-CB 3.36Å; Y107-S111 PolarHBondContact O-N 2.78Å; Y107-S111 PolarHBondContact O-OG 3.44Å; L108-S111 PolarHBondContact O-OG 3.3Å; S111-T113 PolarHBondContact O-N 3.39Å; S111-T113 VanDerWaalsContact O-N 3.08Å |
| 112 | A | 97.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | trans | -64 | 109.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 K118 Y121 | L108-A112 VanDerWaalsContact O-CB 3.32Å; L108-A112 WeakPolarHBondContact O-CB 3.48Å; L108-A112 PolarHBondContact O-N 3.24Å; A112-K118 HydrophobicContact CB-CG 3.6Å; A112-K118 WeakPolarHBondContact O-CE 3.39Å; A112-Y121 HydrophobicContact CB-CD2 4.04Å; A112-Y121 HydrophobicContact CB-CE2 4.01Å | ||
| 113 | T | 96.7 | Very high | 97.9 | Very high | 107 Ų | 107 | 42 Ų | 42 | 66% | 0.656 | 21% | 0.206 | S | C | * | . | trans | -91.1 | -30.6 | 173.6 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | E36 S111 | E36-T113 VanDerWaalsContact CD-N 3.35Å; E36-T113 PolarHBondContact OE1-N 3.45Å; E36-T113 PolarHBondContact OE1-OG1 2.9Å; E36-T113 WeakPolarHBondContact OE2-CB 3.37Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.27Å; E36-T113 PolarHBondContact OE2-N 3.29Å; E36-T113 PolarHBondContact OE2-OG1 3.09Å; S111-T113 PolarHBondContact O-N 3.39Å; S111-T113 VanDerWaalsContact O-N 3.08Å | ||
| 114 | K | 96.8 | Very high | 97.9 | Very high | 118 Ų | 118 | 42.2 Ų | 42.2 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -85.9 | 146.7 | -180 | -55.1 | 178.4 | -177 | 174 | 0 | 112.7 | E36 D116 S117 K118 | E36-K114 PolarHBondContact OE1-N 3.45Å; K114-D116 WeakPolarHBondContact CB-OD1 3.36Å; K114-S117 PolarHBondContact O-N 3.35Å; K114-K118 WeakPolarHBondContact O-CG 3.42Å; K114-K118 PolarHBondContact O-N 3.41Å; K114-K118 VanDerWaalsContact O-N 3.13Å |
| 115 | S | 97.2 | Very high | 97.9 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | -178.9 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | K118 V119 | S115-K118 PolarHBondContact O-N 3.01Å; S115-V119 WeakPolarHBondContact O-CG2 3.29Å; S115-V119 PolarHBondContact O-N 3.19Å |
| 116 | D | 96.9 | Very high | 97.9 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.1 | 70.8 | -37.6 | 0 | 0 | 0 | 111.7 | R42 K114 V119 F120 L163 I169 | R42-D116 IonicContact NH1-OD2 2.71Å; R42-D116 PolarHBondContact NH1-OD2 3.36Å; K114-D116 WeakPolarHBondContact CB-OD1 3.36Å; D116-V119 PolarHBondContact O-N 3.08Å; D116-F120 VanDerWaalsContact O-CB 3.23Å; D116-F120 WeakPolarHBondContact O-CB 3.32Å; D116-F120 PolarHBondContact O-N 3.01Å; D116-L163 HydrophobicContact CB-CD2 3.93Å; D116-I169 HydrophobicContact CB-CD1 4.01Å |
| 117 | S | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 172.2 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | K114 F120 Y121 | K114-S117 PolarHBondContact O-N 3.35Å; S117-F120 WeakPolarHBondContact O-CB 3.4Å; S117-F120 PolarHBondContact O-N 3.49Å; S117-Y121 WeakPolarHBondContact O-CD2 3.11Å; S117-Y121 PolarHBondContact O-N 2.83Å |
| 118 | K | 98.3 | Very high | 98 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 178.2 | -70.6 | 179.9 | -175.7 | -178.3 | 0 | 111.9 | A112 K114 S115 F120 Y121 L122 I158 | A112-K118 HydrophobicContact CB-CG 3.6Å; A112-K118 WeakPolarHBondContact O-CE 3.39Å; K114-K118 WeakPolarHBondContact O-CG 3.42Å; K114-K118 PolarHBondContact O-N 3.41Å; K114-K118 VanDerWaalsContact O-N 3.13Å; S115-K118 PolarHBondContact O-N 3.01Å; K118-F120 VanDerWaalsContact C-N 3.27Å; K118-F120 PolarHBondContact O-N 3.45Å; K118-Y121 PolarHBondContact O-N 3.34Å; K118-L122 WeakPolarHBondContact O-CB 3.13Å; K118-L122 WeakPolarHBondContact O-CG 3.38Å; K118-L122 PolarHBondContact O-N 3.36Å; K118-I158 HydrophobicContact CB-CD1 4.5Å |
| 119 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | S115 D116 K123 A155 I158 A159 L163 I169 L173 | S115-V119 WeakPolarHBondContact O-CG2 3.29Å; S115-V119 PolarHBondContact O-N 3.19Å; D116-V119 PolarHBondContact O-N 3.08Å; V119-K123 WeakPolarHBondContact O-CB 3.44Å; V119-K123 PolarHBondContact O-N 3.47Å; V119-A155 HydrophobicContact CG1-CB 4.31Å; V119-I158 HydrophobicContact CG2-CB 3.81Å; V119-I158 HydrophobicContact CG2-CG2 3.55Å; V119-A159 HydrophobicContact CG1-CB 3.96Å; V119-A159 HydrophobicContact CG2-CB 4.07Å; V119-L163 HydrophobicContact CB-CD1 3.96Å; V119-L163 HydrophobicContact CG1-CD1 3.96Å; V119-L163 HydrophobicContact CG2-CD1 3.87Å; V119-L163 HydrophobicContact CG2-CG 4.48Å; V119-I169 HydrophobicContact CB-CG2 4.03Å; V119-I169 HydrophobicContact CG1-CG2 3.62Å; V119-L173 HydrophobicContact CG1-CD2 3.96Å |
| 120 | F | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 13% | 0.127 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 177.4 | -173 | -83.2 | 0 | 0 | 0 | 112.1 | R42 D116 S117 K118 M124 I169 | R42-F120 HydrophobicContact CG-CD1 3.62Å; R42-F120 HydrophobicContact CG-CE1 3.46Å; R42-F120 VanDerWaalsContact CG-CE1 3.46Å; R42-F120 HydrophobicContact CG-CE2 4.42Å; R42-F120 HydrophobicContact CG-CG 4.19Å; R42-F120 HydrophobicContact CG-CZ 3.88Å; D116-F120 VanDerWaalsContact O-CB 3.23Å; D116-F120 WeakPolarHBondContact O-CB 3.32Å; D116-F120 PolarHBondContact O-N 3.01Å; S117-F120 WeakPolarHBondContact O-CB 3.4Å; S117-F120 PolarHBondContact O-N 3.49Å; K118-F120 VanDerWaalsContact C-N 3.27Å; K118-F120 PolarHBondContact O-N 3.45Å; F120-M124 HydrophobicContact CE1-SD 4.43Å; F120-M124 WeakPolarHBondContact O-CB 3.35Å; F120-M124 PolarHBondContact O-N 3.2Å; F120-I169 HydrophobicContact CB-CD1 4.13Å; F120-I169 HydrophobicContact CB-CG2 4.35Å; F120-I169 HydrophobicContact CD2-CD1 3.88Å; F120-I169 HydrophobicContact CD2-CG1 4.09Å; F120-I169 HydrophobicContact CG-CD1 4.49Å |
| 121 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.3 | -38.3 | -178.5 | -58.9 | -46.2 | 0 | 0 | 0 | 112.8 | R42 L108 A112 S117 K118 M124 K125 | R42-Y121 HydrophobicContact CG-CE1 3.87Å; L108-Y121 HydrophobicContact CB-CD1 3.86Å; L108-Y121 HydrophobicContact CB-CD2 3.74Å; L108-Y121 HydrophobicContact CB-CE1 3.97Å; L108-Y121 HydrophobicContact CB-CE2 3.85Å; L108-Y121 HydrophobicContact CB-CG 3.77Å; L108-Y121 HydrophobicContact CD1-CD1 3.92Å; L108-Y121 HydrophobicContact CD1-CE1 3.95Å; L108-Y121 HydrophobicContact CD2-CE1 3.95Å; L108-Y121 HydrophobicContact CD2-CE2 4.48Å; L108-Y121 HydrophobicContact CG-CD1 4.35Å; L108-Y121 HydrophobicContact CG-CE1 4.19Å; L108-Y121 WeakPolarHBondContact O-CD2 3.38Å; L108-Y121 WeakPolarHBondContact O-CE2 3.47Å; A112-Y121 HydrophobicContact CB-CD2 4.04Å; A112-Y121 HydrophobicContact CB-CE2 4.01Å; S117-Y121 WeakPolarHBondContact O-CD2 3.11Å; S117-Y121 PolarHBondContact O-N 2.83Å; K118-Y121 PolarHBondContact O-N 3.34Å; Y121-M124 PolarHBondContact O-N 3.49Å; Y121-K125 WeakPolarHBondContact O-CB 3.3Å; Y121-K125 PolarHBondContact O-N 3.32Å |
| 122 | L | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 174.4 | -73.3 | 166.3 | 0 | 0 | 0 | 111.7 | I109 K118 M124 K125 G126 E154 A155 I158 | I109-L122 HydrophobicContact CD1-CD2 3.74Å; I109-L122 HydrophobicContact CD1-CG 4.2Å; K118-L122 WeakPolarHBondContact O-CB 3.13Å; K118-L122 WeakPolarHBondContact O-CG 3.38Å; K118-L122 PolarHBondContact O-N 3.36Å; L122-M124 VanDerWaalsContact C-N 3.33Å; L122-M124 PolarHBondContact O-N 3.03Å; L122-K125 WeakPolarHBondContact O-CB 3.44Å; L122-K125 PolarHBondContact O-N 3.33Å; L122-G126 PolarHBondContact O-N 3.08Å; L122-E154 HydrophobicContact CD1-CB 4.25Å; L122-E154 HydrophobicContact CD1-CG 3.78Å; L122-E154 HydrophobicContact CD2-CB 4.44Å; L122-E154 HydrophobicContact CD2-CG 4.29Å; L122-A155 HydrophobicContact CB-CB 3.7Å; L122-I158 HydrophobicContact CD1-CD1 3.72Å |
| 123 | K | 98.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 28 Ų | 28 | 16% | 0.161 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 171 | 177.8 | -166.4 | 170.3 | -66.9 | 0 | 110.8 | V119 K125 G126 D127 Y152 G172 L173 N176 | V119-K123 WeakPolarHBondContact O-CB 3.44Å; V119-K123 PolarHBondContact O-N 3.47Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 3.01Å; K123-G126 PolarHBondContact O-N 3.3Å; K123-D127 IonicContact NZ-OD2 2.66Å; K123-D127 PolarHBondContact NZ-OD2 2.91Å; K123-D127 PolarHBondContact O-N 3.39Å; K123-Y152 HydrophobicContact CG-CE1 4.4Å; K123-G172 WeakPolarHBondContact CE-O 3.07Å; K123-L173 HydrophobicContact CB-CD1 4.06Å; K123-L173 HydrophobicContact CD-CB 4.13Å; K123-L173 HydrophobicContact CG-CB 4.31Å; K123-L173 HydrophobicContact CG-CD1 4.06Å; K123-N176 PolarHBondContact NZ-ND2 3.28Å |
| 124 | M | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.044 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 178.3 | -165.7 | 179.8 | -173.3 | 0 | 0 | 110.9 | I100 I104 F120 Y121 L122 G126 D127 Y128 | I100-M124 HydrophobicContact CD1-CE 3.7Å; I100-M124 HydrophobicContact CD1-SD 4.2Å; I100-M124 HydrophobicContact CG1-CE 3.55Å; I100-M124 HydrophobicContact CG1-SD 4.16Å; I104-M124 HydrophobicContact CD1-CB 4.03Å; I104-M124 HydrophobicContact CD1-CG 3.96Å; I104-M124 HydrophobicContact CD1-SD 4.16Å; F120-M124 HydrophobicContact CE1-SD 4.43Å; F120-M124 WeakPolarHBondContact O-CB 3.35Å; F120-M124 PolarHBondContact O-N 3.2Å; Y121-M124 PolarHBondContact O-N 3.49Å; L122-M124 VanDerWaalsContact C-N 3.33Å; L122-M124 PolarHBondContact O-N 3.03Å; M124-G126 VanDerWaalsContact C-N 3.35Å; M124-G126 PolarHBondContact O-N 3.09Å; M124-D127 WeakPolarHBondContact O-CB 3.42Å; M124-D127 PolarHBondContact O-N 2.57Å; M124-D127 VanDerWaalsContact O-N 3.15Å; M124-Y128 HydrophobicContact CE-CE2 3.73Å; M124-Y128 HydrophobicContact CG-CD2 3.93Å; M124-Y128 HydrophobicContact CG-CE2 3.81Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.38Å; M124-Y128 PolarHBondContact O-N 3.12Å |
| 125 | K | 98.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 20.3 Ų | 20.3 | 13% | 0.13 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 173.1 | -172.1 | 173 | -179 | 168.6 | 0 | 111.8 | L101 I104 D105 I109 Y121 L122 K123 D127 Y128 F129 A151 | L101-K125 HydrophobicContact CD2-CB 4.35Å; L101-K125 HydrophobicContact CD2-CG 3.72Å; I104-K125 HydrophobicContact CD1-CB 4.3Å; I104-K125 HydrophobicContact CG2-CB 4.16Å; I104-K125 HydrophobicContact CG2-CD 4.32Å; D105-K125 WeakPolarHBondContact OD1-CE 3.44Å; D105-K125 IonicContact OD1-NZ 3.9Å; D105-K125 PolarHBondContact OD1-NZ 2.98Å; D105-K125 IonicContact OD2-NZ 3.38Å; D105-K125 PolarHBondContact OD2-NZ 3.39Å; I109-K125 HydrophobicContact CD1-CD 4.42Å; Y121-K125 WeakPolarHBondContact O-CB 3.3Å; Y121-K125 PolarHBondContact O-N 3.32Å; L122-K125 WeakPolarHBondContact O-CB 3.44Å; L122-K125 PolarHBondContact O-N 3.33Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 3.01Å; K125-D127 VanDerWaalsContact C-N 3.31Å; K125-D127 PolarHBondContact O-N 3.38Å; K125-Y128 PolarHBondContact O-N 3.42Å; K125-F129 HydrophobicContact CD-CE2 4.37Å; K125-F129 HydrophobicContact CG-CD2 3.89Å; K125-F129 HydrophobicContact CG-CE2 3.78Å; K125-F129 WeakPolarHBondContact O-CD2 3.28Å; K125-F129 PolarHBondContact O-N 3.19Å; K125-F129 VanDerWaalsContact O-N 3.08Å; K125-A151 HydrophobicContact CB-CB 4Å; K125-A151 HydrophobicContact CD-CB 4.16Å; K125-A151 HydrophobicContact CG-CB 3.94Å |
| 126 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L122 K123 M124 R130 S148 Y152 | L122-G126 PolarHBondContact O-N 3.08Å; K123-G126 PolarHBondContact O-N 3.3Å; M124-G126 VanDerWaalsContact C-N 3.35Å; M124-G126 PolarHBondContact O-N 3.09Å; G126-R130 VanDerWaalsContact O-CB 3.3Å; G126-R130 WeakPolarHBondContact O-CB 3.32Å; G126-R130 PolarHBondContact O-N 2.97Å; G126-S148 PolarHBondContact O-OG 3.15Å; G126-Y152 VanDerWaalsContact C-OH 3.26Å; G126-Y152 PolarHBondContact O-OH 2.92Å |
| 127 | D | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 177.6 | -79 | -48 | 0 | 0 | 0 | 112.3 | K123 M124 K125 R130 Y131 Y152 N176 | K123-D127 IonicContact NZ-OD2 2.66Å; K123-D127 PolarHBondContact NZ-OD2 2.91Å; K123-D127 PolarHBondContact O-N 3.39Å; M124-D127 WeakPolarHBondContact O-CB 3.42Å; M124-D127 PolarHBondContact O-N 2.57Å; M124-D127 VanDerWaalsContact O-N 3.15Å; K125-D127 VanDerWaalsContact C-N 3.31Å; K125-D127 PolarHBondContact O-N 3.38Å; D127-R130 WeakPolarHBondContact O-CB 3.44Å; D127-R130 PolarHBondContact O-N 3.44Å; D127-R130 IonicContact OD1-CZ 3.04Å; D127-R130 IonicContact OD1-NE 3.51Å; D127-R130 IonicContact OD1-NH2 3.8Å; D127-R130 PolarHBondContact OD1-NH2 2.62Å; D127-Y131 HydrophobicContact CB-CE2 4.08Å; D127-Y131 WeakPolarHBondContact O-CD2 3.46Å; D127-Y131 PolarHBondContact O-N 3.16Å; D127-Y152 VanDerWaalsContact CA-OH 3.26Å; D127-Y152 WeakPolarHBondContact CA-OH 3.36Å; D127-Y152 PolarHBondContact N-OH 3.22Å; D127-Y152 VanDerWaalsContact N-OH 3.15Å; D127-Y152 PolarHBondContact OD1-OH 3.08Å; D127-N176 WeakPolarHBondContact OD1-CB 3.28Å; D127-N176 PolarHBondContact OD1-ND2 3.43Å; D127-N176 PolarHBondContact OD2-ND2 3.35Å |
| 128 | Y | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.7 | -36 | -177.7 | -80.2 | -87.5 | 0 | 0 | 0 | 112.9 | Y49 I53 V96 I100 M124 K125 R130 Y131 M132 | Y49-Y128 VanDerWaalsContact CB-OH 3.28Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.49Å; Y49-Y128 PolarHBondContact O-OH 3.45Å; I53-Y128 HydrophobicContact CB-CE1 4.08Å; I53-Y128 HydrophobicContact CD1-CD1 3.52Å; I53-Y128 HydrophobicContact CD1-CE1 3.34Å; I53-Y128 HydrophobicContact CG1-CE1 4.29Å; I53-Y128 HydrophobicContact CG2-CE1 3.94Å; V96-Y128 HydrophobicContact CG1-CE1 4.47Å; I100-Y128 HydrophobicContact CG1-CD2 4.47Å; I100-Y128 HydrophobicContact CG1-CE2 4.37Å; I100-Y128 HydrophobicContact CG2-CD1 3.37Å; I100-Y128 HydrophobicContact CG2-CD2 3.66Å; I100-Y128 HydrophobicContact CG2-CE1 3.58Å; I100-Y128 HydrophobicContact CG2-CE2 3.94Å; I100-Y128 HydrophobicContact CG2-CG 3.41Å; I100-Y128 VanDerWaalsContact CG2-CG 3.41Å; M124-Y128 HydrophobicContact CE-CE2 3.73Å; M124-Y128 HydrophobicContact CG-CD2 3.93Å; M124-Y128 HydrophobicContact CG-CE2 3.81Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.38Å; M124-Y128 PolarHBondContact O-N 3.12Å; K125-Y128 PolarHBondContact O-N 3.42Å; Y128-R130 VanDerWaalsContact C-N 3.35Å; Y128-Y131 HydrophobicContact CD1-CD2 4Å; Y128-Y131 HydrophobicContact CD1-CE2 4.48Å; Y128-Y131 HydrophobicContact CE1-CD2 4.3Å; Y128-Y131 HydrophobicContact CE1-CE2 4.48Å; Y128-Y131 HydrophobicContact CE2-CE2 4.5Å; Y128-Y131 HydrophobicContact CG-CD2 4.23Å; Y128-Y131 PolarHBondContact O-N 3.17Å; Y128-M132 WeakPolarHBondContact O-CG 3.21Å; Y128-M132 PolarHBondContact O-N 3.22Å |
| 129 | F | 98.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 13% | 0.132 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 169.6 | -80.8 | -58 | 0 | 0 | 0 | 112.8 | L101 K125 Y131 M132 A133 A144 E147 | L101-F129 HydrophobicContact CD1-CD1 3.95Å; L101-F129 HydrophobicContact CD1-CD2 4.42Å; L101-F129 HydrophobicContact CD1-CE1 3.68Å; L101-F129 HydrophobicContact CD1-CE2 4.18Å; L101-F129 HydrophobicContact CD1-CG 4.31Å; L101-F129 HydrophobicContact CD1-CZ 3.8Å; L101-F129 HydrophobicContact CD2-CD2 3.8Å; L101-F129 HydrophobicContact CD2-CE2 3.61Å; L101-F129 HydrophobicContact CD2-CG 4.37Å; L101-F129 HydrophobicContact CD2-CZ 4.04Å; L101-F129 HydrophobicContact CG-CZ 4.49Å; K125-F129 HydrophobicContact CD-CE2 4.37Å; K125-F129 HydrophobicContact CG-CD2 3.89Å; K125-F129 HydrophobicContact CG-CE2 3.78Å; K125-F129 WeakPolarHBondContact O-CD2 3.28Å; K125-F129 PolarHBondContact O-N 3.19Å; K125-F129 VanDerWaalsContact O-N 3.08Å; F129-Y131 VanDerWaalsContact C-N 3.34Å; F129-Y131 PolarHBondContact O-N 3.03Å; F129-M132 HydrophobicContact CD1-SD 4.1Å; F129-M132 HydrophobicContact CE1-SD 4.39Å; F129-M132 WeakPolarHBondContact O-CB 3.47Å; F129-M132 PolarHBondContact O-N 3.23Å; F129-A133 PolarHBondContact O-N 3.3Å; F129-A144 WeakPolarHBondContact CB-O 3.29Å; F129-E147 HydrophobicContact CB-CB 4.46Å; F129-E147 HydrophobicContact CD1-CB 3.84Å; F129-E147 HydrophobicContact CD2-CB 3.65Å; F129-E147 HydrophobicContact CE1-CB 3.87Å; F129-E147 HydrophobicContact CE1-CG 4.23Å; F129-E147 HydrophobicContact CE2-CB 3.68Å; F129-E147 HydrophobicContact CE2-CG 4.42Å; F129-E147 HydrophobicContact CG-CB 3.73Å; F129-E147 HydrophobicContact CZ-CB 3.8Å; F129-E147 HydrophobicContact CZ-CG 4.14Å |
| 130 | R | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 5% | 0.045 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.9 | 172.1 | 169.3 | 67.2 | 81.3 | 5.7 | 111.2 | G126 D127 Y128 M132 A133 E134 S148 Y152 E183 I184 | G126-R130 VanDerWaalsContact O-CB 3.3Å; G126-R130 WeakPolarHBondContact O-CB 3.32Å; G126-R130 PolarHBondContact O-N 2.97Å; D127-R130 WeakPolarHBondContact O-CB 3.44Å; D127-R130 PolarHBondContact O-N 3.44Å; D127-R130 IonicContact OD1-CZ 3.04Å; D127-R130 IonicContact OD1-NE 3.51Å; D127-R130 IonicContact OD1-NH2 3.8Å; D127-R130 PolarHBondContact OD1-NH2 2.62Å; Y128-R130 VanDerWaalsContact C-N 3.35Å; R130-M132 VanDerWaalsContact C-N 3.31Å; R130-M132 PolarHBondContact O-N 3.14Å; R130-A133 PolarHBondContact O-N 3.08Å; R130-E134 PolarHBondContact O-N 3.06Å; R130-E134 VanDerWaalsContact O-N 3.1Å; R130-S148 PolarHBondContact N-OG 2.91Å; R130-Y152 PolarHBondContact NE-OH 2.96Å; R130-E183 IonicContact NH1-OE2 2.86Å; R130-E183 PolarHBondContact NH1-OE2 3.21Å; R130-I184 HydrophobicContact CG-CD1 4.2Å; R130-I184 HydrophobicContact CG-CG1 3.74Å |
| 131 | Y | 98.3 | Very high | 98 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 175 | -55.8 | -33.8 | 0 | 0 | 0 | 111.8 | I53 R57 D127 Y128 F129 E134 F135 | I53-Y131 HydrophobicContact CD1-CD2 3.65Å; I53-Y131 HydrophobicContact CD1-CE2 4.48Å; I53-Y131 HydrophobicContact CD1-CG 4.26Å; I53-Y131 HydrophobicContact CG1-CD2 4.46Å; I53-Y131 HydrophobicContact CG2-CD2 4.36Å; I53-Y131 HydrophobicContact CG2-CE2 4.18Å; R57-Y131 VanDerWaalsContact CZ-CD1 3.45Å; R57-Y131 VanDerWaalsContact NE-CD1 3.29Å; D127-Y131 HydrophobicContact CB-CE2 4.08Å; D127-Y131 WeakPolarHBondContact O-CD2 3.46Å; D127-Y131 PolarHBondContact O-N 3.16Å; Y128-Y131 HydrophobicContact CD1-CD2 4Å; Y128-Y131 HydrophobicContact CD1-CE2 4.48Å; Y128-Y131 HydrophobicContact CE1-CD2 4.3Å; Y128-Y131 HydrophobicContact CE1-CE2 4.48Å; Y128-Y131 HydrophobicContact CE2-CE2 4.5Å; Y128-Y131 HydrophobicContact CG-CD2 4.23Å; Y128-Y131 PolarHBondContact O-N 3.17Å; F129-Y131 VanDerWaalsContact C-N 3.34Å; F129-Y131 PolarHBondContact O-N 3.03Å; Y131-E134 WeakPolarHBondContact O-CB 3.37Å; Y131-E134 PolarHBondContact O-N 3.47Å; Y131-F135 WeakPolarHBondContact O-CD1 3.43Å; Y131-F135 WeakPolarHBondContact O-CE1 3.35Å |
| 132 | M | 98.5 | Very high | 98 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 173.9 | -68.7 | 178.2 | 73.9 | 0 | 0 | 112.6 | D94 K98 L101 Y128 F129 R130 E134 F135 S136 A144 | D94-M132 WeakPolarHBondContact OD1-CE 3.48Å; K98-M132 HydrophobicContact CG-CE 4.42Å; L101-M132 HydrophobicContact CD1-SD 3.69Å; Y128-M132 WeakPolarHBondContact O-CG 3.21Å; Y128-M132 PolarHBondContact O-N 3.22Å; F129-M132 HydrophobicContact CD1-SD 4.1Å; F129-M132 HydrophobicContact CE1-SD 4.39Å; F129-M132 WeakPolarHBondContact O-CB 3.47Å; F129-M132 PolarHBondContact O-N 3.23Å; R130-M132 VanDerWaalsContact C-N 3.31Å; R130-M132 PolarHBondContact O-N 3.14Å; M132-E134 VanDerWaalsContact C-N 3.26Å; M132-E134 PolarHBondContact O-N 3.44Å; M132-F135 VanDerWaalsContact CA-CE1 3.46Å; M132-F135 HydrophobicContact CB-CE1 4.45Å; M132-F135 HydrophobicContact CB-CZ 4.29Å; M132-F135 HydrophobicContact CG-CE1 4.43Å; M132-F135 HydrophobicContact CG-CZ 4.15Å; M132-S136 WeakPolarHBondContact O-CB 3.36Å; M132-S136 PolarHBondContact O-N 2.88Å; M132-S136 VanDerWaalsContact O-N 3.15Å; M132-S136 PolarHBondContact O-OG 3.05Å; M132-A144 HydrophobicContact CB-CB 4Å |
| 133 | A | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -31.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F129 R130 F135 A144 A145 I184 | F129-A133 PolarHBondContact O-N 3.3Å; R130-A133 PolarHBondContact O-N 3.08Å; A133-F135 PolarHBondContact O-N 3.02Å; A133-A144 HydrophobicContact CB-CB 3.87Å; A133-A145 HydrophobicContact CB-CB 4.37Å; A133-I184 HydrophobicContact CB-CD1 4.2Å; A133-I184 HydrophobicContact CB-CG2 3.92Å |
| 134 | E | 96.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | -178.9 | -172.8 | -178.1 | -170.1 | 0 | 0 | 113.1 | R57 W60 R61 R130 Y131 M132 I184 | R57-E134 IonicContact CZ-OE2 3.51Å; R57-E134 IonicContact NE-OE2 2.89Å; R57-E134 PolarHBondContact NE-OE2 3.05Å; R57-E134 IonicContact NH2-OE1 2.73Å; R57-E134 PolarHBondContact NH2-OE1 2.86Å; R57-E134 IonicContact NH2-OE2 3.35Å; R57-E134 PolarHBondContact NH2-OE2 3.48Å; W60-E134 HydrophobicContact CH2-CG 4.01Å; W60-E134 WeakPolarHBondContact CH2-O 3.45Å; W60-E134 HydrophobicContact CZ3-CG 3.68Å; R61-E134 IonicContact CZ-OE1 3.48Å; R61-E134 IonicContact NE-OE1 2.73Å; R61-E134 PolarHBondContact NE-OE1 2.98Å; R61-E134 IonicContact NH2-OE1 3.45Å; R61-E134 PolarHBondContact NH2-OE1 3.4Å; R61-E134 IonicContact NH2-OE2 2.66Å; R130-E134 PolarHBondContact O-N 3.06Å; R130-E134 VanDerWaalsContact O-N 3.1Å; Y131-E134 WeakPolarHBondContact O-CB 3.37Å; Y131-E134 PolarHBondContact O-N 3.47Å; M132-E134 VanDerWaalsContact C-N 3.26Å; M132-E134 PolarHBondContact O-N 3.44Å; E134-I184 HydrophobicContact CB-CD1 4.42Å |
| 135 | F | 95.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -104.6 | -6.7 | -176.5 | 65.4 | -101.1 | 0 | 0 | 0 | 114.2 | W60 E90 L93 D94 Y131 M132 A133 | W60-F135 HydrophobicContact CD2-CB 4.15Å; W60-F135 VanDerWaalsContact CE2-CB 3.48Å; W60-F135 HydrophobicContact CH2-CB 3.98Å; W60-F135 HydrophobicContact CZ2-CB 3.41Å; W60-F135 VanDerWaalsContact CZ2-CB 3.41Å; E90-F135 HydrophobicContact CB-CD2 4.06Å; E90-F135 HydrophobicContact CG-CB 4.04Å; E90-F135 HydrophobicContact CG-CD2 3.94Å; E90-F135 HydrophobicContact CG-CG 4.22Å; L93-F135 HydrophobicContact CB-CD1 4.06Å; L93-F135 HydrophobicContact CB-CE1 3.51Å; L93-F135 HydrophobicContact CB-CZ 3.84Å; L93-F135 HydrophobicContact CD1-CD1 3.81Å; L93-F135 HydrophobicContact CD1-CE1 4.14Å; L93-F135 HydrophobicContact CD1-CG 4.39Å; L93-F135 HydrophobicContact CG-CE1 4.4Å; D94-F135 HydrophobicContact CB-CE2 4.22Å; D94-F135 HydrophobicContact CB-CZ 4.13Å; Y131-F135 WeakPolarHBondContact O-CD1 3.43Å; Y131-F135 WeakPolarHBondContact O-CE1 3.35Å; M132-F135 VanDerWaalsContact CA-CE1 3.46Å; M132-F135 HydrophobicContact CB-CE1 4.45Å; M132-F135 HydrophobicContact CB-CZ 4.29Å; M132-F135 HydrophobicContact CG-CE1 4.43Å; M132-F135 HydrophobicContact CG-CZ 4.15Å; A133-F135 PolarHBondContact O-N 3.02Å |
| 136 | S | 97.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | trans | -81.6 | 158.5 | 179.8 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | M132 | M132-S136 WeakPolarHBondContact O-CB 3.36Å; M132-S136 PolarHBondContact O-N 2.88Å; M132-S136 VanDerWaalsContact O-N 3.15Å; M132-S136 PolarHBondContact O-OG 3.05Å | ||
| 137 | V | 95.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 54 Ų | 54 | 66% | 0.655 | 27% | 0.266 | S | S | * | . | trans | -109.4 | 164.9 | 167.8 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | Q140 R141 | V137-Q140 PolarHBondContact O-N 3.37Å; V137-R141 PolarHBondContact O-N 3.38Å | ||
| 138 | D | 96.3 | Very high | 97.9 | Very high | 81 Ų | 81 | 53.6 Ų | 53.6 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 139 | 175.8 | -82.4 | 6.8 | 0 | 0 | 0 | 110.9 | K142 | D138-K142 WeakPolarHBondContact OD2-CE 3.36Å; D138-K142 IonicContact OD2-NZ 3.85Å; D138-K142 PolarHBondContact OD2-NZ 3.47Å |
| 139 | P | 97.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 59% | 0.591 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.2 | -8.9 | 7.2 | 33.8 | -38.1 | 0 | 0 | 0 | 116 | R141 K142 K143 | P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 3.2Å; P139-K142 PolarHBondContact O-N 3.19Å; P139-K143 PolarHBondContact O-N 3.45Å |
| 140 | Q | 97.7 | Very high | 97.9 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | -175.6 | -72.7 | 71.8 | 20 | 0 | 0 | 112.3 | V137 K142 K143 A144 | V137-Q140 PolarHBondContact O-N 3.37Å; Q140-K142 PolarHBondContact O-N 3.2Å; Q140-K143 PolarHBondContact O-N 3.05Å; Q140-A144 WeakPolarHBondContact O-CB 3.11Å; Q140-A144 PolarHBondContact O-N 3.43Å |
| 141 | R | 98.2 | Very high | 97.9 | Very high | 95 Ų | 95 | 58.9 Ų | 58.9 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.5 | -50.2 | 175.6 | 177.9 | 178.6 | 173.7 | -90.6 | -4.7 | 111.9 | V137 P139 K143 A144 A145 I184 | V137-R141 PolarHBondContact O-N 3.38Å; P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 3.2Å; R141-K143 PolarHBondContact O-N 3.32Å; R141-A144 PolarHBondContact O-N 2.84Å; R141-A145 WeakPolarHBondContact O-CB 3.46Å; R141-A145 PolarHBondContact O-N 2.61Å; R141-I184 PolarHBondContact NH2-O 3.45Å |
| 142 | K | 98.4 | Very high | 98 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 178 | -77.6 | 175.1 | 178.2 | 163.3 | 0 | 112.1 | D138 P139 Q140 A144 A145 E146 | D138-K142 WeakPolarHBondContact OD2-CE 3.36Å; D138-K142 IonicContact OD2-NZ 3.85Å; D138-K142 PolarHBondContact OD2-NZ 3.47Å; P139-K142 PolarHBondContact O-N 3.19Å; Q140-K142 PolarHBondContact O-N 3.2Å; K142-A144 VanDerWaalsContact C-N 3.34Å; K142-A144 PolarHBondContact O-N 3.19Å; K142-A145 PolarHBondContact O-N 2.84Å; K142-E146 WeakPolarHBondContact O-CG 3.31Å; K142-E146 PolarHBondContact O-N 3.25Å |
| 143 | K | 98.5 | Very high | 98 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 61% | 0.609 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | 177.6 | -176.5 | 179.2 | 178.4 | -178.9 | 0 | 112 | P139 Q140 R141 E146 E147 | P139-K143 PolarHBondContact O-N 3.45Å; Q140-K143 PolarHBondContact O-N 3.05Å; R141-K143 PolarHBondContact O-N 3.32Å; K143-E146 PolarHBondContact O-N 3.15Å; K143-E147 WeakPolarHBondContact O-CG 3.38Å; K143-E147 PolarHBondContact O-N 2.91Å |
| 144 | A | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 5% | 0.05 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F129 M132 A133 Q140 R141 K142 E147 S148 | F129-A144 WeakPolarHBondContact CB-O 3.29Å; M132-A144 HydrophobicContact CB-CB 4Å; A133-A144 HydrophobicContact CB-CB 3.87Å; Q140-A144 WeakPolarHBondContact O-CB 3.11Å; Q140-A144 PolarHBondContact O-N 3.43Å; R141-A144 PolarHBondContact O-N 2.84Å; K142-A144 VanDerWaalsContact C-N 3.34Å; K142-A144 PolarHBondContact O-N 3.19Å; A144-E147 PolarHBondContact O-N 3.35Å; A144-S148 VanDerWaalsContact O-CB 3.26Å; A144-S148 WeakPolarHBondContact O-CB 3.24Å; A144-S148 PolarHBondContact O-N 3.09Å |
| 145 | A | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A133 R141 K142 S148 N149 Y180 I184 | A133-A145 HydrophobicContact CB-CB 4.37Å; R141-A145 WeakPolarHBondContact O-CB 3.46Å; R141-A145 PolarHBondContact O-N 2.61Å; K142-A145 PolarHBondContact O-N 2.84Å; A145-S148 PolarHBondContact O-N 2.91Å; A145-N149 WeakPolarHBondContact O-CB 3.44Å; A145-N149 PolarHBondContact O-N 2.92Å; A145-Y180 HydrophobicContact CB-CE2 4.38Å; A145-Y180 WeakPolarHBondContact O-CE2 3.27Å; A145-Y180 PolarHBondContact O-OH 3.48Å; A145-I184 HydrophobicContact CB-CG2 3.75Å |
| 146 | E | 98.7 | Very high | 98.2 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.2 | -46.9 | 176.7 | -73.6 | 168.4 | -178.3 | 0 | 0 | 112.1 | K142 K143 S148 N149 K150 | K142-E146 WeakPolarHBondContact O-CG 3.31Å; K142-E146 PolarHBondContact O-N 3.25Å; K143-E146 PolarHBondContact O-N 3.15Å; E146-S148 VanDerWaalsContact C-N 3.32Å; E146-S148 PolarHBondContact O-N 3.41Å; E146-N149 PolarHBondContact O-N 3.44Å; E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 PolarHBondContact O-N 2.67Å |
| 147 | E | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 177 | -69.5 | -64.7 | 158.1 | 0 | 0 | 112 | F129 K143 A144 A151 | F129-E147 HydrophobicContact CB-CB 4.46Å; F129-E147 HydrophobicContact CD1-CB 3.84Å; F129-E147 HydrophobicContact CD2-CB 3.65Å; F129-E147 HydrophobicContact CE1-CB 3.87Å; F129-E147 HydrophobicContact CE1-CG 4.23Å; F129-E147 HydrophobicContact CE2-CB 3.68Å; F129-E147 HydrophobicContact CE2-CG 4.42Å; F129-E147 HydrophobicContact CG-CB 3.73Å; F129-E147 HydrophobicContact CZ-CB 3.8Å; F129-E147 HydrophobicContact CZ-CG 4.14Å; K143-E147 WeakPolarHBondContact O-CG 3.38Å; K143-E147 PolarHBondContact O-N 2.91Å; A144-E147 PolarHBondContact O-N 3.35Å; E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 3.49Å; E147-A151 VanDerWaalsContact O-N 3.09Å |
| 148 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 111 | G126 R130 A144 A145 E146 K150 A151 Y152 | G126-S148 PolarHBondContact O-OG 3.15Å; R130-S148 PolarHBondContact N-OG 2.91Å; A144-S148 VanDerWaalsContact O-CB 3.26Å; A144-S148 WeakPolarHBondContact O-CB 3.24Å; A144-S148 PolarHBondContact O-N 3.09Å; A145-S148 PolarHBondContact O-N 2.91Å; E146-S148 VanDerWaalsContact C-N 3.32Å; E146-S148 PolarHBondContact O-N 3.41Å; S148-K150 PolarHBondContact O-N 2.73Å; S148-A151 PolarHBondContact O-N 3.46Å; S148-Y152 WeakPolarHBondContact O-CD2 3.14Å; S148-Y152 PolarHBondContact O-N 3.42Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.46Å |
| 149 | N | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 178.3 | -168.9 | 50.2 | 0 | 0 | 0 | 111.7 | A145 E146 A151 Y152 Q153 Y177 Y180 | A145-N149 WeakPolarHBondContact O-CB 3.44Å; A145-N149 PolarHBondContact O-N 2.92Å; E146-N149 PolarHBondContact O-N 3.44Å; N149-A151 VanDerWaalsContact C-N 3.32Å; N149-A151 PolarHBondContact O-N 3.36Å; N149-Y152 PolarHBondContact O-N 3.01Å; N149-Q153 VanDerWaalsContact ND2-CD 3.28Å; N149-Q153 PolarHBondContact ND2-NE2 3.41Å; N149-Q153 VanDerWaalsContact ND2-NE2 3.17Å; N149-Q153 PolarHBondContact ND2-OE1 3.25Å; N149-Q153 WeakPolarHBondContact O-CB 3.31Å; N149-Q153 VanDerWaalsContact O-CG 3.29Å; N149-Q153 WeakPolarHBondContact O-CG 3.45Å; N149-Q153 PolarHBondContact O-N 3.07Å; N149-Y177 WeakPolarHBondContact OD1-CE2 3.21Å; N149-Y177 PolarHBondContact OD1-OH 3.47Å; N149-Y180 HydrophobicContact CB-CE1 4.16Å; N149-Y180 WeakPolarHBondContact CB-OH 3.45Å |
| 150 | K | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 59.9 Ų | 59.9 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 179.9 | -179.9 | -179.4 | 175.5 | -173.9 | 0 | 111.8 | E146 S148 Q153 E154 | E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 PolarHBondContact O-N 2.67Å; S148-K150 PolarHBondContact O-N 2.73Å; K150-Q153 PolarHBondContact O-N 3.41Å; K150-E154 WeakPolarHBondContact O-CB 3.3Å; K150-E154 PolarHBondContact O-N 3.47Å |
| 151 | A | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K125 E147 S148 N149 A155 | K125-A151 HydrophobicContact CB-CB 4Å; K125-A151 HydrophobicContact CD-CB 4.16Å; K125-A151 HydrophobicContact CG-CB 3.94Å; E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 3.49Å; E147-A151 VanDerWaalsContact O-N 3.09Å; S148-A151 PolarHBondContact O-N 3.46Å; N149-A151 VanDerWaalsContact C-N 3.32Å; N149-A151 PolarHBondContact O-N 3.36Å; A151-A155 WeakPolarHBondContact O-CB 3.26Å; A151-A155 PolarHBondContact O-N 2.89Å |
| 152 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.7 | -38 | 176.1 | -71.7 | -52.8 | 0 | 0 | 0 | 113.5 | K123 G126 D127 R130 S148 N149 A155 S156 L173 N176 Y177 Y180 | K123-Y152 HydrophobicContact CG-CE1 4.4Å; G126-Y152 VanDerWaalsContact C-OH 3.26Å; G126-Y152 PolarHBondContact O-OH 2.92Å; D127-Y152 VanDerWaalsContact CA-OH 3.26Å; D127-Y152 WeakPolarHBondContact CA-OH 3.36Å; D127-Y152 PolarHBondContact N-OH 3.22Å; D127-Y152 VanDerWaalsContact N-OH 3.15Å; D127-Y152 PolarHBondContact OD1-OH 3.08Å; R130-Y152 PolarHBondContact NE-OH 2.96Å; S148-Y152 WeakPolarHBondContact O-CD2 3.14Å; S148-Y152 PolarHBondContact O-N 3.42Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.46Å; N149-Y152 PolarHBondContact O-N 3.01Å; Y152-A155 PolarHBondContact O-N 3.01Å; Y152-S156 VanDerWaalsContact O-CB 3.29Å; Y152-S156 WeakPolarHBondContact O-CB 3.2Å; Y152-S156 PolarHBondContact O-N 3.27Å; Y152-S156 PolarHBondContact O-OG 2.69Å; Y152-L173 HydrophobicContact CD1-CD1 3.58Å; Y152-L173 HydrophobicContact CE1-CD1 4.31Å; Y152-N176 HydrophobicContact CE1-CB 4.25Å; Y152-Y177 VanDerWaalsContact CB-CD2 3.43Å; Y152-Y177 HydrophobicContact CD1-CD2 4.43Å; Y152-Y177 HydrophobicContact CD1-CG 4.28Å; Y152-Y177 AromaticContact CD2-CD2 3.41Å; Y152-Y177 HydrophobicContact CD2-CD2 3.41Å; Y152-Y177 VanDerWaalsContact CD2-CD2 3.41Å; Y152-Y177 AromaticContact CD2-CE2 3.86Å; Y152-Y177 HydrophobicContact CD2-CE2 3.86Å; Y152-Y177 HydrophobicContact CD2-CG 4.07Å; Y152-Y177 HydrophobicContact CE2-CD2 4.21Å; Y152-Y177 HydrophobicContact CG-CD1 4.36Å; Y152-Y177 AromaticContact CG-CD2 3.54Å; Y152-Y177 HydrophobicContact CG-CD2 3.54Å; Y152-Y177 HydrophobicContact CG-CE2 4.04Å; Y152-Y177 AromaticContact CG-CG 3.74Å; Y152-Y177 HydrophobicContact CG-CG 3.74Å; Y152-Y180 HydrophobicContact CD2-CG 4.29Å; Y152-Y180 HydrophobicContact CE2-CD2 4.35Å; Y152-Y180 HydrophobicContact CE2-CG 4.14Å |
| 153 | Q | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 175.9 | -73.1 | 179.9 | -30.1 | 0 | 0 | 110.6 | N149 K150 A155 S156 E157 Y177 | N149-Q153 VanDerWaalsContact ND2-CD 3.28Å; N149-Q153 PolarHBondContact ND2-NE2 3.41Å; N149-Q153 VanDerWaalsContact ND2-NE2 3.17Å; N149-Q153 PolarHBondContact ND2-OE1 3.25Å; N149-Q153 WeakPolarHBondContact O-CB 3.31Å; N149-Q153 VanDerWaalsContact O-CG 3.29Å; N149-Q153 WeakPolarHBondContact O-CG 3.45Å; N149-Q153 PolarHBondContact O-N 3.07Å; K150-Q153 PolarHBondContact O-N 3.41Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 2.85Å; Q153-S156 WeakPolarHBondContact O-CB 3.3Å; Q153-S156 PolarHBondContact O-N 2.72Å; Q153-E157 WeakPolarHBondContact O-CG 3.38Å; Q153-E157 PolarHBondContact O-N 3.48Å; Q153-Y177 HydrophobicContact CG-CE1 4.43Å; Q153-Y177 WeakPolarHBondContact CG-OH 3.42Å |
| 154 | E | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176.9 | -169.4 | -177.9 | 165 | 0 | 0 | 111.5 | L122 K150 S156 E157 I158 | L122-E154 HydrophobicContact CD1-CB 4.25Å; L122-E154 HydrophobicContact CD1-CG 3.78Å; L122-E154 HydrophobicContact CD2-CB 4.44Å; L122-E154 HydrophobicContact CD2-CG 4.29Å; K150-E154 WeakPolarHBondContact O-CB 3.3Å; K150-E154 PolarHBondContact O-N 3.47Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 2.74Å; E154-E157 PolarHBondContact O-N 2.85Å; E154-I158 WeakPolarHBondContact O-CG1 3.46Å; E154-I158 PolarHBondContact O-N 3.34Å |
| 155 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 L122 A151 Y152 Q153 A159 L173 | V119-A155 HydrophobicContact CG1-CB 4.31Å; L122-A155 HydrophobicContact CB-CB 3.7Å; A151-A155 WeakPolarHBondContact O-CB 3.26Å; A151-A155 PolarHBondContact O-N 2.89Å; Y152-A155 PolarHBondContact O-N 3.01Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 2.85Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 3.47Å; A155-L173 HydrophobicContact CB-CD1 3.76Å; A155-L173 HydrophobicContact CB-CD2 3.67Å; A155-L173 HydrophobicContact CB-CG 4.38Å |
| 156 | S | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | Y152 Q153 E154 A159 A160 | Y152-S156 VanDerWaalsContact O-CB 3.29Å; Y152-S156 WeakPolarHBondContact O-CB 3.2Å; Y152-S156 PolarHBondContact O-N 3.27Å; Y152-S156 PolarHBondContact O-OG 2.69Å; Q153-S156 WeakPolarHBondContact O-CB 3.3Å; Q153-S156 PolarHBondContact O-N 2.72Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 2.74Å; S156-A159 PolarHBondContact O-N 3.4Å; S156-A160 WeakPolarHBondContact O-CB 3.22Å; S156-A160 PolarHBondContact O-N 3.02Å |
| 157 | E | 98.5 | Very high | 98.2 | Very high | 135 Ų | 135 | 50.4 Ų | 50.4 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 175.3 | -70.9 | 173.5 | -175.3 | 0 | 0 | 111.8 | Q153 E154 T161 | Q153-E157 WeakPolarHBondContact O-CG 3.38Å; Q153-E157 PolarHBondContact O-N 3.48Å; E154-E157 PolarHBondContact O-N 2.85Å; E157-T161 PolarHBondContact O-OG1 3.21Å; E157-T161 VanDerWaalsContact O-OG1 3.05Å |
| 158 | I | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 176.6 | -60 | 168.3 | 0 | 0 | 0 | 110.1 | K118 V119 L122 E154 A160 T161 Q162 | K118-I158 HydrophobicContact CB-CD1 4.5Å; V119-I158 HydrophobicContact CG2-CB 3.81Å; V119-I158 HydrophobicContact CG2-CG2 3.55Å; L122-I158 HydrophobicContact CD1-CD1 3.72Å; E154-I158 WeakPolarHBondContact O-CG1 3.46Å; E154-I158 PolarHBondContact O-N 3.34Å; I158-A160 PolarHBondContact O-N 3.44Å; I158-T161 PolarHBondContact O-N 3.24Å; I158-T161 PolarHBondContact O-OG1 3.34Å; I158-Q162 HydrophobicContact CG2-CB 4.46Å; I158-Q162 HydrophobicContact CG2-CG 4.41Å; I158-Q162 WeakPolarHBondContact O-CB 3.39Å; I158-Q162 PolarHBondContact O-N 3.01Å |
| 159 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V119 A155 S156 T161 L163 R170 L173 | V119-A159 HydrophobicContact CG1-CB 3.96Å; V119-A159 HydrophobicContact CG2-CB 4.07Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 3.47Å; S156-A159 PolarHBondContact O-N 3.4Å; A159-T161 PolarHBondContact O-N 3.35Å; A159-L163 HydrophobicContact CB-CD1 4.1Å; A159-L163 WeakPolarHBondContact O-CB 3.41Å; A159-L163 PolarHBondContact O-N 3.24Å; A159-R170 HydrophobicContact CB-CB 4.35Å; A159-R170 HydrophobicContact CB-CG 4.14Å; A159-R170 PolarHBondContact O-NH1 2.91Å; A159-L173 HydrophobicContact CB-CD2 3.94Å |
| 160 | A | 97.7 | Very high | 98.1 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 50% | 0.504 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -33.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S156 I158 | S156-A160 WeakPolarHBondContact O-CB 3.22Å; S156-A160 PolarHBondContact O-N 3.02Å; I158-A160 PolarHBondContact O-N 3.44Å |
| 161 | T | 97.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 44.4 Ų | 44.4 | 69% | 0.687 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -97.9 | -28.6 | -175.7 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | E157 I158 A159 | E157-T161 PolarHBondContact O-OG1 3.21Å; E157-T161 VanDerWaalsContact O-OG1 3.05Å; I158-T161 PolarHBondContact O-N 3.24Å; I158-T161 PolarHBondContact O-OG1 3.34Å; A159-T161 PolarHBondContact O-N 3.35Å |
| 162 | Q | 98 | Very high | 98.1 | Very high | 118 Ų | 118 | 44.7 Ų | 44.7 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -119.4 | -11.1 | -169.5 | -53.6 | -166.4 | 25.6 | 0 | 0 | 114.7 | I158 | I158-Q162 HydrophobicContact CG2-CB 4.46Å; I158-Q162 HydrophobicContact CG2-CG 4.41Å; I158-Q162 WeakPolarHBondContact O-CB 3.39Å; I158-Q162 PolarHBondContact O-N 3.01Å |
| 163 | L | 97.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -117.5 | 134.6 | 177.5 | -58.6 | -177.2 | 0 | 0 | 0 | 110.9 | D116 V119 A159 H167 I169 R170 | D116-L163 HydrophobicContact CB-CD2 3.93Å; V119-L163 HydrophobicContact CB-CD1 3.96Å; V119-L163 HydrophobicContact CG1-CD1 3.96Å; V119-L163 HydrophobicContact CG2-CD1 3.87Å; V119-L163 HydrophobicContact CG2-CG 4.48Å; A159-L163 HydrophobicContact CB-CD1 4.1Å; A159-L163 WeakPolarHBondContact O-CB 3.41Å; A159-L163 PolarHBondContact O-N 3.24Å; L163-H167 HydrophobicContact CB-CB 4.23Å; L163-I169 HydrophobicContact CD1-CB 4.37Å; L163-I169 HydrophobicContact CD1-CG2 4.23Å; L163-R170 HydrophobicContact CB-CB 4.1Å; L163-R170 HydrophobicContact CD1-CB 4.24Å; L163-R170 PolarHBondContact O-NH1 3.49Å |
| 164 | F | 97.1 | Very high | 98.1 | Very high | 80 Ų | 80 | 41.3 Ų | 41.3 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | trans | -62.6 | 145.8 | 177.1 | -165.9 | -104.9 | 0 | 0 | 0 | 110.8 | T166 H167 K205 Q208 | F164-T166 HydrophobicContact CD1-CG2 4.44Å; F164-T166 WeakPolarHBondContact CD1-OG1 3.29Å; F164-T166 HydrophobicContact CE1-CG2 4.14Å; F164-T166 WeakPolarHBondContact CE1-OG1 3.24Å; F164-T166 PolarHBondContact O-N 3.5Å; F164-T166 VanDerWaalsContact O-N 3.12Å; F164-H167 WeakPolarHBondContact O-CB 3.17Å; F164-H167 PolarHBondContact O-N 3.5Å; F164-K205 HydrophobicContact CE1-CB 3.75Å; F164-K205 HydrophobicContact CE1-CG 4.47Å; F164-K205 HydrophobicContact CZ-CB 3.71Å; F164-K205 HydrophobicContact CZ-CD 4.13Å; F164-K205 HydrophobicContact CZ-CG 4.05Å; F164-Q208 HydrophobicContact CE1-CB 4.1Å; F164-Q208 HydrophobicContact CZ-CB 3.9Å; F164-Q208 VanDerWaalsContact CZ-OE1 3.26Å | ||
| 165 | P | 97.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 16% | 0.156 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -33.6 | -176.5 | -32.9 | 39 | 0 | 0 | 0 | 115.8 | H167 D201 K205 | P165-H167 VanDerWaalsContact C-N 3.31Å; P165-D201 HydrophobicContact CB-CB 4.14Å; P165-K205 HydrophobicContact CB-CG 4.4Å; P165-K205 HydrophobicContact CG-CG 4.27Å |
| 166 | T | 97.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 2.8 | 177.9 | 63 | 0 | 0 | 0 | 0 | 113.5 | F164 A202 K205 S217 | F164-T166 HydrophobicContact CD1-CG2 4.44Å; F164-T166 WeakPolarHBondContact CD1-OG1 3.29Å; F164-T166 HydrophobicContact CE1-CG2 4.14Å; F164-T166 WeakPolarHBondContact CE1-OG1 3.24Å; F164-T166 PolarHBondContact O-N 3.5Å; F164-T166 VanDerWaalsContact O-N 3.12Å; T166-A202 HydrophobicContact CG2-CB 4.25Å; T166-A202 WeakPolarHBondContact CG2-O 3.39Å; T166-K205 HydrophobicContact CG2-CB 3.99Å; T166-K205 WeakPolarHBondContact CG2-O 3.43Å; T166-S217 WeakPolarHBondContact O-CB 3.45Å; T166-S217 PolarHBondContact O-OG 2.98Å |
| 167 | H | 97.2 | Very high | 98.1 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.255 | 21% | 0.207 | S | C | . | . | trans | -65.9 | 128.2 | -178.5 | -171 | -80.1 | 0 | 0 | 0 | 111 | L163 F164 P165 I169 R170 L171 | L163-H167 HydrophobicContact CB-CB 4.23Å; F164-H167 WeakPolarHBondContact O-CB 3.17Å; F164-H167 PolarHBondContact O-N 3.5Å; P165-H167 VanDerWaalsContact C-N 3.31Å; H167-I169 VanDerWaalsContact C-N 3.28Å; H167-I169 PolarHBondContact ND1-N 3.48Å; H167-I169 PolarHBondContact O-N 3.29Å; H167-I169 VanDerWaalsContact O-N 3.13Å; H167-R170 HydrophobicContact CB-CB 4.31Å; H167-R170 PolarHBondContact O-N 3.02Å; H167-L171 PolarHBondContact O-N 3.31Å | ||
| 168 | P | 97.3 | Very high | 98.1 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.4 | -39.9 | -175.2 | -27 | 30.1 | 0 | 0 | 0 | 114.4 | G172 D216 S217 I220 | P168-G172 PolarHBondContact O-N 3.49Å; P168-D216 HydrophobicContact CB-CB 4.2Å; P168-D216 HydrophobicContact CG-CB 4.14Å; P168-S217 WeakPolarHBondContact CD-OG 3.29Å; P168-S217 WeakPolarHBondContact CG-OG 3.49Å; P168-I220 HydrophobicContact CB-CD1 4.16Å; P168-I220 WeakPolarHBondContact O-CD1 3.09Å |
| 169 | I | 98.2 | Very high | 98.1 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 9% | 0.087 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.4 | -65.1 | 173.2 | 0 | 0 | 0 | 111.9 | D116 V119 F120 L163 H167 G172 L173 | D116-I169 HydrophobicContact CB-CD1 4.01Å; V119-I169 HydrophobicContact CB-CG2 4.03Å; V119-I169 HydrophobicContact CG1-CG2 3.62Å; F120-I169 HydrophobicContact CB-CD1 4.13Å; F120-I169 HydrophobicContact CB-CG2 4.35Å; F120-I169 HydrophobicContact CD2-CD1 3.88Å; F120-I169 HydrophobicContact CD2-CG1 4.09Å; F120-I169 HydrophobicContact CG-CD1 4.49Å; L163-I169 HydrophobicContact CD1-CB 4.37Å; L163-I169 HydrophobicContact CD1-CG2 4.23Å; H167-I169 VanDerWaalsContact C-N 3.28Å; H167-I169 PolarHBondContact ND1-N 3.48Å; H167-I169 PolarHBondContact O-N 3.29Å; H167-I169 VanDerWaalsContact O-N 3.13Å; I169-G172 PolarHBondContact O-N 3.31Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 PolarHBondContact O-N 2.78Å |
| 170 | R | 98.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 31.7 Ų | 31.7 | 18% | 0.181 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.2 | -45 | 178.8 | 175.3 | 173.8 | 170.3 | 167.4 | -2.9 | 110.7 | A159 L163 H167 L173 A174 D201 | A159-R170 HydrophobicContact CB-CB 4.35Å; A159-R170 HydrophobicContact CB-CG 4.14Å; A159-R170 PolarHBondContact O-NH1 2.91Å; L163-R170 HydrophobicContact CB-CB 4.1Å; L163-R170 HydrophobicContact CD1-CB 4.24Å; L163-R170 PolarHBondContact O-NH1 3.49Å; H167-R170 HydrophobicContact CB-CB 4.31Å; H167-R170 PolarHBondContact O-N 3.02Å; R170-L173 WeakPolarHBondContact O-CB 3.41Å; R170-L173 PolarHBondContact O-N 3.48Å; R170-A174 PolarHBondContact O-N 3Å; R170-D201 IonicContact NH2-OD2 2.78Å; R170-D201 PolarHBondContact NH2-OD2 2.99Å |
| 171 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.5 | -73.3 | 172.9 | 0 | 0 | 0 | 111.5 | H167 L173 A174 L175 A202 I220 M221 L224 | H167-L171 PolarHBondContact O-N 3.31Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 2.79Å; L171-A174 PolarHBondContact O-N 3.27Å; L171-L175 PolarHBondContact O-N 3.44Å; L171-A202 HydrophobicContact CD2-CB 3.66Å; L171-I220 HydrophobicContact CB-CB 4.17Å; L171-I220 HydrophobicContact CB-CD1 4.46Å; L171-I220 HydrophobicContact CB-CG2 3.62Å; L171-M221 HydrophobicContact CD1-CG 3.91Å; L171-M221 HydrophobicContact CD1-SD 4.41Å; L171-M221 HydrophobicContact CD2-CG 4.16Å; L171-L224 HydrophobicContact CD2-CD1 4.11Å |
| 172 | G | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K123 P168 I169 N176 | K123-G172 WeakPolarHBondContact CE-O 3.07Å; P168-G172 PolarHBondContact O-N 3.49Å; I169-G172 PolarHBondContact O-N 3.31Å; G172-N176 PolarHBondContact O-N 3.17Å; G172-N176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 170.8 | 168.4 | 63.5 | 0 | 0 | 0 | 110.7 | V119 K123 Y152 A155 A159 I169 R170 L171 L175 N176 Y177 | V119-L173 HydrophobicContact CG1-CD2 3.96Å; K123-L173 HydrophobicContact CB-CD1 4.06Å; K123-L173 HydrophobicContact CD-CB 4.13Å; K123-L173 HydrophobicContact CG-CB 4.31Å; K123-L173 HydrophobicContact CG-CD1 4.06Å; Y152-L173 HydrophobicContact CD1-CD1 3.58Å; Y152-L173 HydrophobicContact CE1-CD1 4.31Å; A155-L173 HydrophobicContact CB-CD1 3.76Å; A155-L173 HydrophobicContact CB-CD2 3.67Å; A155-L173 HydrophobicContact CB-CG 4.38Å; A159-L173 HydrophobicContact CB-CD2 3.94Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 PolarHBondContact O-N 2.78Å; R170-L173 WeakPolarHBondContact O-CB 3.41Å; R170-L173 PolarHBondContact O-N 3.48Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 2.79Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 3.31Å; L173-N176 PolarHBondContact O-N 2.71Å; L173-Y177 VanDerWaalsContact O-CB 3.29Å; L173-Y177 WeakPolarHBondContact O-CB 3.28Å; L173-Y177 PolarHBondContact O-N 2.91Å |
| 174 | A | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 11% | 0.107 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R170 L171 N176 Y177 S178 L194 A198 | R170-A174 PolarHBondContact O-N 3Å; L171-A174 PolarHBondContact O-N 3.27Å; A174-N176 PolarHBondContact O-N 3.28Å; A174-Y177 PolarHBondContact O-N 3.2Å; A174-S178 WeakPolarHBondContact O-CB 3.44Å; A174-S178 PolarHBondContact O-N 3.31Å; A174-S178 PolarHBondContact O-OG 2.95Å; A174-L194 HydrophobicContact CB-CD2 3.82Å; A174-L194 WeakPolarHBondContact O-CD2 2.99Å; A174-A198 HydrophobicContact CB-CB 3.34Å |
| 175 | L | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 10% | 0.099 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.2 | -53.2 | 174.8 | 178.4 | 64.8 | 0 | 0 | 0 | 111.1 | L171 L173 Y177 S178 V179 I220 L223 L224 N227 | L171-L175 PolarHBondContact O-N 3.44Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 3.31Å; L175-Y177 PolarHBondContact O-N 3.42Å; L175-S178 PolarHBondContact O-N 3.46Å; L175-S178 PolarHBondContact O-OG 2.97Å; L175-V179 WeakPolarHBondContact O-CG2 3.25Å; L175-V179 PolarHBondContact O-N 3.32Å; L175-I220 HydrophobicContact CB-CG2 4.26Å; L175-I220 HydrophobicContact CD2-CG2 4.19Å; L175-L223 HydrophobicContact CD1-CB 4.09Å; L175-L223 HydrophobicContact CD2-CB 3.93Å; L175-L223 HydrophobicContact CD2-CD1 3.92Å; L175-L224 HydrophobicContact CB-CD2 3.94Å; L175-L224 HydrophobicContact CB-CG 4.27Å; L175-L224 HydrophobicContact CD1-CD2 3.98Å; L175-L224 HydrophobicContact CD1-CG 4.19Å; L175-N227 VanDerWaalsContact CD1-ND2 3.32Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.39Å |
| 176 | N | 98.7 | Very high | 98 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.5 | -32.5 | -175.2 | -73.4 | 17.1 | 0 | 0 | 0 | 113.1 | K123 D127 Y152 G172 L173 A174 V179 Y180 | K123-N176 PolarHBondContact NZ-ND2 3.28Å; D127-N176 WeakPolarHBondContact OD1-CB 3.28Å; D127-N176 PolarHBondContact OD1-ND2 3.43Å; D127-N176 PolarHBondContact OD2-ND2 3.35Å; Y152-N176 HydrophobicContact CE1-CB 4.25Å; G172-N176 PolarHBondContact O-N 3.17Å; G172-N176 VanDerWaalsContact O-N 3.08Å; L173-N176 PolarHBondContact O-N 2.71Å; A174-N176 PolarHBondContact O-N 3.28Å; N176-V179 PolarHBondContact O-N 3.48Å; N176-Y180 PolarHBondContact O-N 3.29Å |
| 177 | Y | 98.8 | Very high | 98 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.6 | -34.4 | 177.4 | -165 | -166.3 | 0 | 0 | 0 | 111.9 | N149 Y152 Q153 L173 A174 L175 V179 Y180 F181 L194 | N149-Y177 WeakPolarHBondContact OD1-CE2 3.21Å; N149-Y177 PolarHBondContact OD1-OH 3.47Å; Y152-Y177 VanDerWaalsContact CB-CD2 3.43Å; Y152-Y177 HydrophobicContact CD1-CD2 4.43Å; Y152-Y177 HydrophobicContact CD1-CG 4.28Å; Y152-Y177 AromaticContact CD2-CD2 3.41Å; Y152-Y177 HydrophobicContact CD2-CD2 3.41Å; Y152-Y177 VanDerWaalsContact CD2-CD2 3.41Å; Y152-Y177 AromaticContact CD2-CE2 3.86Å; Y152-Y177 HydrophobicContact CD2-CE2 3.86Å; Y152-Y177 HydrophobicContact CD2-CG 4.07Å; Y152-Y177 HydrophobicContact CE2-CD2 4.21Å; Y152-Y177 HydrophobicContact CG-CD1 4.36Å; Y152-Y177 AromaticContact CG-CD2 3.54Å; Y152-Y177 HydrophobicContact CG-CD2 3.54Å; Y152-Y177 HydrophobicContact CG-CE2 4.04Å; Y152-Y177 AromaticContact CG-CG 3.74Å; Y152-Y177 HydrophobicContact CG-CG 3.74Å; Q153-Y177 HydrophobicContact CG-CE1 4.43Å; Q153-Y177 WeakPolarHBondContact CG-OH 3.42Å; L173-Y177 VanDerWaalsContact O-CB 3.29Å; L173-Y177 WeakPolarHBondContact O-CB 3.28Å; L173-Y177 PolarHBondContact O-N 2.91Å; A174-Y177 PolarHBondContact O-N 3.2Å; L175-Y177 PolarHBondContact O-N 3.42Å; Y177-V179 VanDerWaalsContact C-N 3.33Å; Y177-V179 PolarHBondContact O-N 3.34Å; Y177-Y180 AromaticContact CD2-CD1 3.73Å; Y177-Y180 HydrophobicContact CD2-CD1 3.73Å; Y177-Y180 HydrophobicContact CD2-CG 4.2Å; Y177-Y180 AromaticContact CE2-CD1 3.57Å; Y177-Y180 HydrophobicContact CE2-CD1 3.57Å; Y177-Y180 AromaticContact CE2-CE1 4Å; Y177-Y180 HydrophobicContact CE2-CE1 4Å; Y177-Y180 HydrophobicContact CE2-CG 4.38Å; Y177-Y180 VanDerWaalsContact O-CB 3.3Å; Y177-Y180 WeakPolarHBondContact O-CB 3.43Å; Y177-Y180 PolarHBondContact O-N 3.3Å; Y177-F181 HydrophobicContact CD1-CE2 4.34Å; Y177-F181 HydrophobicContact CD2-CD2 4.02Å; Y177-F181 AromaticContact CD2-CE2 3.68Å; Y177-F181 HydrophobicContact CD2-CE2 3.68Å; Y177-F181 HydrophobicContact CD2-CZ 4.5Å; Y177-F181 AromaticContact CE1-CE2 3.98Å; Y177-F181 HydrophobicContact CE1-CE2 3.98Å; Y177-F181 AromaticContact CE2-CD2 4Å; Y177-F181 HydrophobicContact CE2-CD2 4Å; Y177-F181 AromaticContact CE2-CE2 3.27Å; Y177-F181 HydrophobicContact CE2-CE2 3.27Å; Y177-F181 AromaticContact CE2-CZ 3.68Å; Y177-F181 HydrophobicContact CE2-CZ 3.68Å; Y177-F181 HydrophobicContact CG-CE2 4.2Å; Y177-F181 AromaticContact CZ-CE2 3.41Å; Y177-F181 VanDerWaalsContact CZ-CE2 3.41Å; Y177-F181 AromaticContact CZ-CZ 3.68Å; Y177-F181 VanDerWaalsContact O-CD2 3.32Å; Y177-F181 WeakPolarHBondContact O-CD2 3.42Å; Y177-F181 PolarHBondContact O-N 2.88Å; Y177-L194 HydrophobicContact CD1-CD1 3.44Å; Y177-L194 VanDerWaalsContact CD1-CD1 3.44Å; Y177-L194 HydrophobicContact CE1-CD1 3.92Å; Y177-L194 HydrophobicContact CG-CD1 3.88Å |
| 178 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 170.6 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | A174 L175 Y180 F181 Y182 A191 W231 | A174-S178 WeakPolarHBondContact O-CB 3.44Å; A174-S178 PolarHBondContact O-N 3.31Å; A174-S178 PolarHBondContact O-OG 2.95Å; L175-S178 PolarHBondContact O-N 3.46Å; L175-S178 PolarHBondContact O-OG 2.97Å; S178-Y180 VanDerWaalsContact C-N 3.29Å; S178-Y180 PolarHBondContact O-N 3.21Å; S178-F181 PolarHBondContact O-N 3.14Å; S178-Y182 PolarHBondContact O-N 3.04Å; S178-A191 WeakPolarHBondContact CB-O 3.36Å; S178-A191 VanDerWaalsContact O-CB 3.24Å; S178-A191 WeakPolarHBondContact O-CB 3.34Å; S178-W231 WeakPolarHBondContact OG-CH2 3.43Å |
| 179 | V | 98.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -35.7 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | L175 N176 Y177 Y182 E183 W231 | L175-V179 WeakPolarHBondContact O-CG2 3.25Å; L175-V179 PolarHBondContact O-N 3.32Å; N176-V179 PolarHBondContact O-N 3.48Å; Y177-V179 VanDerWaalsContact C-N 3.33Å; Y177-V179 PolarHBondContact O-N 3.34Å; V179-Y182 PolarHBondContact O-N 3.1Å; V179-E183 VanDerWaalsContact CG1-CD 3.43Å; V179-E183 HydrophobicContact CG1-CG 3.87Å; V179-E183 VanDerWaalsContact CG1-OE2 3.3Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.32Å; V179-E183 WeakPolarHBondContact O-CB 3.47Å; V179-E183 PolarHBondContact O-N 3.38Å; V179-W231 HydrophobicContact CG2-CH2 3.99Å; V179-W231 HydrophobicContact CG2-CZ2 3.98Å |
| 180 | Y | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 35 Ų | 35 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -50 | 172.3 | 163.8 | -95.1 | 0 | 0 | 0 | 112 | A145 N149 Y152 N176 Y177 S178 Y182 I184 M185 | A145-Y180 HydrophobicContact CB-CE2 4.38Å; A145-Y180 WeakPolarHBondContact O-CE2 3.27Å; A145-Y180 PolarHBondContact O-OH 3.48Å; N149-Y180 HydrophobicContact CB-CE1 4.16Å; N149-Y180 WeakPolarHBondContact CB-OH 3.45Å; Y152-Y180 HydrophobicContact CD2-CG 4.29Å; Y152-Y180 HydrophobicContact CE2-CD2 4.35Å; Y152-Y180 HydrophobicContact CE2-CG 4.14Å; N176-Y180 PolarHBondContact O-N 3.29Å; Y177-Y180 AromaticContact CD2-CD1 3.73Å; Y177-Y180 HydrophobicContact CD2-CD1 3.73Å; Y177-Y180 HydrophobicContact CD2-CG 4.2Å; Y177-Y180 AromaticContact CE2-CD1 3.57Å; Y177-Y180 HydrophobicContact CE2-CD1 3.57Å; Y177-Y180 AromaticContact CE2-CE1 4Å; Y177-Y180 HydrophobicContact CE2-CE1 4Å; Y177-Y180 HydrophobicContact CE2-CG 4.38Å; Y177-Y180 VanDerWaalsContact O-CB 3.3Å; Y177-Y180 WeakPolarHBondContact O-CB 3.43Å; Y177-Y180 PolarHBondContact O-N 3.3Å; S178-Y180 VanDerWaalsContact C-N 3.29Å; S178-Y180 PolarHBondContact O-N 3.21Å; Y180-Y182 VanDerWaalsContact C-N 3.32Å; Y180-Y182 PolarHBondContact O-N 3.29Å; Y180-I184 HydrophobicContact CD2-CB 3.94Å; Y180-I184 HydrophobicContact CD2-CG1 4.08Å; Y180-I184 HydrophobicContact CD2-CG2 4.31Å; Y180-I184 HydrophobicContact CE2-CB 4.05Å; Y180-I184 HydrophobicContact CE2-CG2 3.95Å; Y180-I184 WeakPolarHBondContact O-CA 3.46Å; Y180-I184 VanDerWaalsContact O-CB 3.31Å; Y180-I184 WeakPolarHBondContact O-CB 3.45Å; Y180-I184 PolarHBondContact O-N 2.94Å; Y180-M185 HydrophobicContact CD1-CG 4.15Å; Y180-M185 HydrophobicContact CE1-CG 3.38Å; Y180-M185 HydrophobicContact CE1-SD 4.29Å; Y180-M185 HydrophobicContact CE2-CG 4.22Å; Y180-M185 HydrophobicContact CE2-SD 4.47Å; Y180-M185 VanDerWaalsContact CZ-CG 3.41Å; Y180-M185 PolarHBondContact O-N 2.9Å; Y180-M185 WeakPolarHBondContact OH-CG 3.47Å; Y180-M185 PolarHBondContact OH-SD 3.19Å |
| 181 | F | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | -179.5 | -78.6 | -69.4 | 0 | 0 | 0 | 111.5 | Y177 S178 M185 N186 D187 E190 A191 L194 | Y177-F181 HydrophobicContact CD1-CE2 4.34Å; Y177-F181 HydrophobicContact CD2-CD2 4.02Å; Y177-F181 AromaticContact CD2-CE2 3.68Å; Y177-F181 HydrophobicContact CD2-CE2 3.68Å; Y177-F181 HydrophobicContact CD2-CZ 4.5Å; Y177-F181 AromaticContact CE1-CE2 3.98Å; Y177-F181 HydrophobicContact CE1-CE2 3.98Å; Y177-F181 AromaticContact CE2-CD2 4Å; Y177-F181 HydrophobicContact CE2-CD2 4Å; Y177-F181 AromaticContact CE2-CE2 3.27Å; Y177-F181 HydrophobicContact CE2-CE2 3.27Å; Y177-F181 AromaticContact CE2-CZ 3.68Å; Y177-F181 HydrophobicContact CE2-CZ 3.68Å; Y177-F181 HydrophobicContact CG-CE2 4.2Å; Y177-F181 AromaticContact CZ-CE2 3.41Å; Y177-F181 VanDerWaalsContact CZ-CE2 3.41Å; Y177-F181 AromaticContact CZ-CZ 3.68Å; Y177-F181 VanDerWaalsContact O-CD2 3.32Å; Y177-F181 WeakPolarHBondContact O-CD2 3.42Å; Y177-F181 PolarHBondContact O-N 2.88Å; S178-F181 PolarHBondContact O-N 3.14Å; F181-M185 HydrophobicContact CD1-CB 4.21Å; F181-M185 HydrophobicContact CD1-CG 4.19Å; F181-M185 CarbonylContact O-C 3.46Å; F181-M185 WeakPolarHBondContact O-CB 3.41Å; F181-M185 PolarHBondContact O-N 2.9Å; F181-N186 PolarHBondContact O-N 3.49Å; F181-D187 HydrophobicContact CD1-CB 4.45Å; F181-D187 PolarHBondContact O-N 3.02Å; F181-E190 HydrophobicContact CB-CB 4.47Å; F181-E190 HydrophobicContact CB-CG 4.47Å; F181-E190 HydrophobicContact CD1-CB 4.06Å; F181-E190 HydrophobicContact CD1-CG 3.56Å; F181-E190 HydrophobicContact CD2-CG 3.84Å; F181-E190 HydrophobicContact CE1-CB 4.48Å; F181-E190 HydrophobicContact CE1-CG 3.58Å; F181-E190 HydrophobicContact CE2-CG 3.84Å; F181-E190 HydrophobicContact CG-CB 4.17Å; F181-E190 HydrophobicContact CG-CG 3.7Å; F181-E190 HydrophobicContact CZ-CG 3.72Å; F181-A191 HydrophobicContact CB-CB 3.84Å; F181-L194 HydrophobicContact CD2-CD1 4.26Å; F181-L194 HydrophobicContact CE2-CD1 3.94Å |
| 182 | Y | 97.9 | Very high | 97.8 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 22% | 0.22 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -57.9 | 178.8 | -173.9 | -96.6 | 0 | 0 | 0 | 112.3 | S178 V179 Y180 N186 P188 W231 D234 | S178-Y182 PolarHBondContact O-N 3.04Å; V179-Y182 PolarHBondContact O-N 3.1Å; Y180-Y182 VanDerWaalsContact C-N 3.32Å; Y180-Y182 PolarHBondContact O-N 3.29Å; Y182-N186 WeakPolarHBondContact O-CA 3.44Å; Y182-N186 PolarHBondContact O-N 2.99Å; Y182-P188 HydrophobicContact CD2-CB 3.98Å; Y182-P188 HydrophobicContact CE2-CB 4.19Å; Y182-W231 AromaticContact CD1-CD1 3.87Å; Y182-W231 AromaticContact CD1-CE2 3.91Å; Y182-W231 HydrophobicContact CD1-CZ2 4.36Å; Y182-W231 AromaticContact CD1-NE1 3.38Å; Y182-W231 HydrophobicContact CD2-CB 4.12Å; Y182-W231 AromaticContact CD2-CD1 3.51Å; Y182-W231 AromaticContact CD2-CD2 3.9Å; Y182-W231 HydrophobicContact CD2-CD2 3.9Å; Y182-W231 AromaticContact CD2-CE2 3.99Å; Y182-W231 AromaticContact CD2-CG 3.6Å; Y182-W231 HydrophobicContact CD2-CG 3.6Å; Y182-W231 AromaticContact CD2-NE1 3.74Å; Y182-W231 AromaticContact CE1-CD1 3.58Å; Y182-W231 AromaticContact CE1-NE1 3.41Å; Y182-W231 HydrophobicContact CE2-CB 3.9Å; Y182-W231 AromaticContact CE2-CD1 3.23Å; Y182-W231 HydrophobicContact CE2-CD2 4.35Å; Y182-W231 AromaticContact CE2-CG 3.58Å; Y182-W231 HydrophobicContact CE2-CG 3.58Å; Y182-W231 AromaticContact CE2-NE1 3.81Å; Y182-W231 AromaticContact CG-CD1 3.83Å; Y182-W231 HydrophobicContact CG-CD2 4.07Å; Y182-W231 AromaticContact CG-CE2 3.69Å; Y182-W231 HydrophobicContact CG-CG 4.14Å; Y182-W231 HydrophobicContact CG-CZ2 4.17Å; Y182-W231 AromaticContact CG-NE1 3.54Å; Y182-W231 AromaticContact CZ-CD1 3.25Å; Y182-W231 AromaticContact CZ-NE1 3.64Å; Y182-D234 PolarHBondContact OH-OD2 3.24Å |
| 183 | E | 96.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 43% | 0.425 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -79.5 | -34.3 | -170.7 | -64.2 | -175.3 | 157 | 0 | 0 | 113.8 | R130 V179 | R130-E183 IonicContact NH1-OE2 2.86Å; R130-E183 PolarHBondContact NH1-OE2 3.21Å; V179-E183 VanDerWaalsContact CG1-CD 3.43Å; V179-E183 HydrophobicContact CG1-CG 3.87Å; V179-E183 VanDerWaalsContact CG1-OE2 3.3Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.32Å; V179-E183 WeakPolarHBondContact O-CB 3.47Å; V179-E183 PolarHBondContact O-N 3.38Å |
| 184 | I | 97.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -45.6 | -172.4 | -54.6 | -53.8 | 0 | 0 | 0 | 111.9 | R130 A133 E134 R141 A145 Y180 | R130-I184 HydrophobicContact CG-CD1 4.2Å; R130-I184 HydrophobicContact CG-CG1 3.74Å; A133-I184 HydrophobicContact CB-CD1 4.2Å; A133-I184 HydrophobicContact CB-CG2 3.92Å; E134-I184 HydrophobicContact CB-CD1 4.42Å; R141-I184 PolarHBondContact NH2-O 3.45Å; A145-I184 HydrophobicContact CB-CG2 3.75Å; Y180-I184 HydrophobicContact CD2-CB 3.94Å; Y180-I184 HydrophobicContact CD2-CG1 4.08Å; Y180-I184 HydrophobicContact CD2-CG2 4.31Å; Y180-I184 HydrophobicContact CE2-CB 4.05Å; Y180-I184 HydrophobicContact CE2-CG2 3.95Å; Y180-I184 WeakPolarHBondContact O-CA 3.46Å; Y180-I184 VanDerWaalsContact O-CB 3.31Å; Y180-I184 WeakPolarHBondContact O-CB 3.45Å; Y180-I184 PolarHBondContact O-N 2.94Å |
| 185 | M | 97.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 40 Ų | 40 | 45% | 0.453 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -11.3 | -179 | -62.2 | -55.3 | -63.7 | 0 | 0 | 113.2 | Y180 F181 D187 | Y180-M185 HydrophobicContact CD1-CG 4.15Å; Y180-M185 HydrophobicContact CE1-CG 3.38Å; Y180-M185 HydrophobicContact CE1-SD 4.29Å; Y180-M185 HydrophobicContact CE2-CG 4.22Å; Y180-M185 HydrophobicContact CE2-SD 4.47Å; Y180-M185 VanDerWaalsContact CZ-CG 3.41Å; Y180-M185 PolarHBondContact O-N 2.9Å; Y180-M185 WeakPolarHBondContact OH-CG 3.47Å; Y180-M185 PolarHBondContact OH-SD 3.19Å; F181-M185 HydrophobicContact CD1-CB 4.21Å; F181-M185 HydrophobicContact CD1-CG 4.19Å; F181-M185 CarbonylContact O-C 3.46Å; F181-M185 WeakPolarHBondContact O-CB 3.41Å; F181-M185 PolarHBondContact O-N 2.9Å; M185-D187 HydrophobicContact CB-CB 4.19Å; M185-D187 PolarHBondContact O-N 3.49Å |
| 186 | N | 96 | Very high | 97.7 | Very high | 100 Ų | 100 | 42.8 Ų | 42.8 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | trans | 53.1 | 39.7 | -174.4 | -171.4 | 53.8 | 0 | 0 | 0 | 111.3 | F181 Y182 P188 N240 | F181-N186 PolarHBondContact O-N 3.49Å; Y182-N186 WeakPolarHBondContact O-CA 3.44Å; Y182-N186 PolarHBondContact O-N 2.99Å; N186-P188 VanDerWaalsContact O-CD 3.31Å; N186-P188 WeakPolarHBondContact O-CD 3.26Å; N186-N240 PolarHBondContact ND2-ND2 2.97Å | ||
| 187 | D | 96.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 34% | 0.342 | 21% | 0.214 | S | C | . | . | trans | -118.2 | 80.4 | -178.5 | -170.3 | -17.7 | 0 | 0 | 0 | 109.3 | F181 M185 D189 E190 A191 | F181-D187 HydrophobicContact CD1-CB 4.45Å; F181-D187 PolarHBondContact O-N 3.02Å; M185-D187 HydrophobicContact CB-CB 4.19Å; M185-D187 PolarHBondContact O-N 3.49Å; D187-D189 VanDerWaalsContact C-N 3.27Å; D187-D189 PolarHBondContact O-N 2.71Å; D187-D189 PolarHBondContact OD1-N 3.47Å; D187-E190 HydrophobicContact CB-CB 4.29Å; D187-E190 WeakPolarHBondContact OD1-CB 3.5Å; D187-E190 PolarHBondContact OD1-N 2.93Å; D187-E190 WeakPolarHBondContact OD2-CB 3.34Å; D187-A191 WeakPolarHBondContact O-CB 3.47Å; D187-A191 PolarHBondContact O-N 2.91Å; D187-A191 VanDerWaalsContact O-N 3.08Å | ||
| 188 | P | 96.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -27.4 | -178.4 | 26.6 | -34.8 | 0 | 0 | 0 | 112.9 | Y182 N186 C192 R237 | Y182-P188 HydrophobicContact CD2-CB 3.98Å; Y182-P188 HydrophobicContact CE2-CB 4.19Å; N186-P188 VanDerWaalsContact O-CD 3.31Å; N186-P188 WeakPolarHBondContact O-CD 3.26Å; P188-C192 WeakPolarHBondContact O-CB 3.09Å; P188-C192 PolarHBondContact O-N 3.41Å; P188-C192 PolarHBondContact O-SG 3.35Å; P188-R237 HydrophobicContact CG-CG 4.21Å |
| 189 | D | 96.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 45 Ų | 45 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.9 | -46.2 | -179.7 | -74.6 | -24.8 | 0 | 0 | 0 | 110.7 | D187 C192 R193 R237 | D187-D189 VanDerWaalsContact C-N 3.27Å; D187-D189 PolarHBondContact O-N 2.71Å; D187-D189 PolarHBondContact OD1-N 3.47Å; D189-C192 PolarHBondContact O-N 3.39Å; D189-R193 WeakPolarHBondContact O-CB 3.36Å; D189-R193 PolarHBondContact O-N 3.41Å; D189-R237 IonicContact OD1-CZ 2.74Å; D189-R237 IonicContact OD1-NE 2.7Å; D189-R237 PolarHBondContact OD1-NE 3.47Å; D189-R237 VanDerWaalsContact OD1-NE 3.12Å; D189-R237 IonicContact OD1-NH2 2.76Å; D189-R237 PolarHBondContact OD1-NH2 2.95Å |
| 190 | E | 97.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 174.6 | -176.6 | 60.2 | -170 | 0 | 0 | 111.8 | F181 D187 C192 R193 L194 | F181-E190 HydrophobicContact CB-CB 4.47Å; F181-E190 HydrophobicContact CB-CG 4.47Å; F181-E190 HydrophobicContact CD1-CB 4.06Å; F181-E190 HydrophobicContact CD1-CG 3.56Å; F181-E190 HydrophobicContact CD2-CG 3.84Å; F181-E190 HydrophobicContact CE1-CB 4.48Å; F181-E190 HydrophobicContact CE1-CG 3.58Å; F181-E190 HydrophobicContact CE2-CG 3.84Å; F181-E190 HydrophobicContact CG-CB 4.17Å; F181-E190 HydrophobicContact CG-CG 3.7Å; F181-E190 HydrophobicContact CZ-CG 3.72Å; D187-E190 HydrophobicContact CB-CB 4.29Å; D187-E190 WeakPolarHBondContact OD1-CB 3.5Å; D187-E190 PolarHBondContact OD1-N 2.93Å; D187-E190 WeakPolarHBondContact OD2-CB 3.34Å; E190-C192 PolarHBondContact O-N 3.39Å; E190-R193 PolarHBondContact O-N 2.94Å; E190-R193 IonicContact OE1-CZ 3.61Å; E190-R193 IonicContact OE1-NE 3.26Å; E190-R193 IonicContact OE1-NH2 3.74Å; E190-R193 PolarHBondContact OE1-NH2 3.26Å; E190-R193 IonicContact OE2-CZ 3.49Å; E190-R193 IonicContact OE2-NE 3.4Å; E190-R193 PolarHBondContact OE2-NE 3.03Å; E190-R193 IonicContact OE2-NH2 2.72Å; E190-R193 PolarHBondContact OE2-NH2 3.06Å; E190-L194 WeakPolarHBondContact O-CB 3.32Å; E190-L194 PolarHBondContact O-N 2.91Å |
| 191 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | S178 F181 D187 L194 A195 W231 | S178-A191 WeakPolarHBondContact CB-O 3.36Å; S178-A191 VanDerWaalsContact O-CB 3.24Å; S178-A191 WeakPolarHBondContact O-CB 3.34Å; F181-A191 HydrophobicContact CB-CB 3.84Å; D187-A191 WeakPolarHBondContact O-CB 3.47Å; D187-A191 PolarHBondContact O-N 2.91Å; D187-A191 VanDerWaalsContact O-N 3.08Å; A191-L194 PolarHBondContact O-N 3.49Å; A191-A195 WeakPolarHBondContact O-CB 3.15Å; A191-A195 PolarHBondContact O-N 3.18Å; A191-W231 HydrophobicContact CB-CE3 4.2Å; A191-W231 HydrophobicContact CB-CZ3 4.07Å |
| 192 | C | 98 | Very high | 97.6 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.088 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.2 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | P188 D189 E190 L194 A195 Q196 L228 | P188-C192 WeakPolarHBondContact O-CB 3.09Å; P188-C192 PolarHBondContact O-N 3.41Å; P188-C192 PolarHBondContact O-SG 3.35Å; D189-C192 PolarHBondContact O-N 3.39Å; E190-C192 PolarHBondContact O-N 3.39Å; C192-L194 VanDerWaalsContact C-N 3.3Å; C192-L194 PolarHBondContact O-N 3.35Å; C192-A195 PolarHBondContact O-N 3.41Å; C192-Q196 WeakPolarHBondContact O-CB 3.29Å; C192-Q196 PolarHBondContact O-N 2.86Å; C192-L228 HydrophobicContact CB-CD2 4.06Å; C192-L228 WeakPolarHBondContact O-CD2 3.32Å |
| 193 | R | 97.9 | Very high | 97.5 | Very high | 145 Ų | 145 | 51.5 Ų | 51.5 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.7 | -46 | 177.7 | -169.9 | -167.2 | 70.2 | 72.9 | -0.2 | 111.1 | D189 E190 A197 | D189-R193 WeakPolarHBondContact O-CB 3.36Å; D189-R193 PolarHBondContact O-N 3.41Å; E190-R193 PolarHBondContact O-N 2.94Å; E190-R193 IonicContact OE1-CZ 3.61Å; E190-R193 IonicContact OE1-NE 3.26Å; E190-R193 IonicContact OE1-NH2 3.74Å; E190-R193 PolarHBondContact OE1-NH2 3.26Å; E190-R193 IonicContact OE2-CZ 3.49Å; E190-R193 IonicContact OE2-NE 3.4Å; E190-R193 PolarHBondContact OE2-NE 3.03Å; E190-R193 IonicContact OE2-NH2 2.72Å; E190-R193 PolarHBondContact OE2-NH2 3.06Å; R193-A197 VanDerWaalsContact O-CB 3.31Å; R193-A197 WeakPolarHBondContact O-CB 3.36Å; R193-A197 PolarHBondContact O-N 2.87Å |
| 194 | L | 98.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.4 | -46.9 | -178.7 | -167.4 | 151.6 | 0 | 0 | 0 | 111.9 | A174 Y177 F181 E190 A191 C192 A198 | A174-L194 HydrophobicContact CB-CD2 3.82Å; A174-L194 WeakPolarHBondContact O-CD2 2.99Å; Y177-L194 HydrophobicContact CD1-CD1 3.44Å; Y177-L194 VanDerWaalsContact CD1-CD1 3.44Å; Y177-L194 HydrophobicContact CE1-CD1 3.92Å; Y177-L194 HydrophobicContact CG-CD1 3.88Å; F181-L194 HydrophobicContact CD2-CD1 4.26Å; F181-L194 HydrophobicContact CE2-CD1 3.94Å; E190-L194 WeakPolarHBondContact O-CB 3.32Å; E190-L194 PolarHBondContact O-N 2.91Å; A191-L194 PolarHBondContact O-N 3.49Å; C192-L194 VanDerWaalsContact C-N 3.3Å; C192-L194 PolarHBondContact O-N 3.35Å; L194-A198 PolarHBondContact O-N 2.85Å; L194-A198 VanDerWaalsContact O-N 3.17Å |
| 195 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A191 C192 A198 F199 L224 L228 W231 | A191-A195 WeakPolarHBondContact O-CB 3.15Å; A191-A195 PolarHBondContact O-N 3.18Å; C192-A195 PolarHBondContact O-N 3.41Å; A195-A198 PolarHBondContact O-N 3.03Å; A195-F199 WeakPolarHBondContact O-CB 3.42Å; A195-F199 PolarHBondContact O-N 3.36Å; A195-L224 HydrophobicContact CB-CD2 3.85Å; A195-L228 HydrophobicContact CB-CD1 4.32Å; A195-L228 HydrophobicContact CB-CD2 3.88Å; A195-L228 HydrophobicContact CB-CG 3.93Å; A195-W231 HydrophobicContact CB-CZ3 4.36Å |
| 196 | Q | 98.2 | Very high | 97.3 | Very high | 76 Ų | 76 | 52.2 Ų | 52.2 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 178.5 | -174.2 | 64.4 | 54.1 | 0 | 0 | 111.3 | C192 A198 F199 D200 L228 | C192-Q196 WeakPolarHBondContact O-CB 3.29Å; C192-Q196 PolarHBondContact O-N 2.86Å; Q196-A198 VanDerWaalsContact C-N 3.33Å; Q196-A198 PolarHBondContact O-N 3.18Å; Q196-F199 PolarHBondContact O-N 2.81Å; Q196-D200 WeakPolarHBondContact CG-OD2 3.23Å; Q196-D200 PolarHBondContact NE2-OD1 2.98Å; Q196-D200 PolarHBondContact NE2-OD2 3.37Å; Q196-D200 WeakPolarHBondContact O-CB 3.32Å; Q196-D200 PolarHBondContact O-N 3.23Å; Q196-L228 HydrophobicContact CB-CD1 4.36Å; Q196-L228 HydrophobicContact CB-CD2 4.12Å |
| 197 | A | 98.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | R193 D201 | R193-A197 VanDerWaalsContact O-CB 3.31Å; R193-A197 WeakPolarHBondContact O-CB 3.36Å; R193-A197 PolarHBondContact O-N 2.87Å; A197-D201 VanDerWaalsContact O-CB 3.27Å; A197-D201 WeakPolarHBondContact O-CB 3.4Å; A197-D201 VanDerWaalsContact O-CG 3.29Å; A197-D201 PolarHBondContact O-N 3.05Å |
| 198 | A | 98.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A174 L194 A195 Q196 A202 L224 | A174-A198 HydrophobicContact CB-CB 3.34Å; L194-A198 PolarHBondContact O-N 2.85Å; L194-A198 VanDerWaalsContact O-N 3.17Å; A195-A198 PolarHBondContact O-N 3.03Å; Q196-A198 VanDerWaalsContact C-N 3.33Å; Q196-A198 PolarHBondContact O-N 3.18Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 2.82Å; A198-A202 VanDerWaalsContact O-N 3.12Å; A198-L224 HydrophobicContact CB-CD1 4.31Å |
| 199 | F | 98.1 | Very high | 96.7 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 177.4 | -174.8 | -100.4 | 0 | 0 | 0 | 111.7 | A195 Q196 A202 I203 M221 L224 R225 | A195-F199 WeakPolarHBondContact O-CB 3.42Å; A195-F199 PolarHBondContact O-N 3.36Å; Q196-F199 PolarHBondContact O-N 2.81Å; F199-A202 PolarHBondContact O-N 3.32Å; F199-I203 HydrophobicContact CD1-CD1 3.63Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.08Å; F199-I203 HydrophobicContact CE1-CG1 4.1Å; F199-I203 HydrophobicContact CE2-CD1 4.25Å; F199-I203 HydrophobicContact CG-CD1 4.43Å; F199-I203 HydrophobicContact CZ-CD1 3.44Å; F199-I203 VanDerWaalsContact CZ-CD1 3.44Å; F199-I203 HydrophobicContact CZ-CG1 4.27Å; F199-I203 WeakPolarHBondContact O-CB 3.34Å; F199-I203 WeakPolarHBondContact O-CG1 3.39Å; F199-I203 PolarHBondContact O-N 3.1Å; F199-M221 HydrophobicContact CD2-CB 4.13Å; F199-M221 WeakPolarHBondContact CD2-O 3.47Å; F199-M221 HydrophobicContact CE2-CB 4.11Å; F199-M221 VanDerWaalsContact CE2-O 3.3Å; F199-M221 WeakPolarHBondContact CE2-O 3.31Å; F199-L224 HydrophobicContact CD2-CB 4.39Å; F199-R225 HydrophobicContact CD2-CB 4.43Å; F199-R225 HydrophobicContact CE2-CB 3.87Å; F199-R225 HydrophobicContact CZ-CB 4.15Å; F199-R225 HydrophobicContact CZ-CG 4.3Å |
| 200 | D | 98.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 55.4 Ų | 55.4 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 179.8 | -69.5 | -24 | 0 | 0 | 0 | 112.1 | Q196 A202 I203 A204 | Q196-D200 WeakPolarHBondContact CG-OD2 3.23Å; Q196-D200 PolarHBondContact NE2-OD1 2.98Å; Q196-D200 PolarHBondContact NE2-OD2 3.37Å; Q196-D200 WeakPolarHBondContact O-CB 3.32Å; Q196-D200 PolarHBondContact O-N 3.23Å; D200-A202 VanDerWaalsContact C-N 3.27Å; D200-A202 PolarHBondContact O-N 3.47Å; D200-I203 PolarHBondContact O-N 3.46Å; D200-A204 WeakPolarHBondContact O-CB 3.34Å; D200-A204 PolarHBondContact O-N 3.16Å |
| 201 | D | 97.7 | Very high | 96 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 175.2 | -82.8 | -6.4 | 0 | 0 | 0 | 111.5 | P165 R170 A197 | P165-D201 HydrophobicContact CB-CB 4.14Å; R170-D201 IonicContact NH2-OD2 2.78Å; R170-D201 PolarHBondContact NH2-OD2 2.99Å; A197-D201 VanDerWaalsContact O-CB 3.27Å; A197-D201 WeakPolarHBondContact O-CB 3.4Å; A197-D201 VanDerWaalsContact O-CG 3.29Å; A197-D201 PolarHBondContact O-N 3.05Å |
| 202 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.3 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T166 L171 A198 F199 D200 A204 K205 L206 M221 | T166-A202 HydrophobicContact CG2-CB 4.25Å; T166-A202 WeakPolarHBondContact CG2-O 3.39Å; L171-A202 HydrophobicContact CD2-CB 3.66Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 2.82Å; A198-A202 VanDerWaalsContact O-N 3.12Å; F199-A202 PolarHBondContact O-N 3.32Å; D200-A202 VanDerWaalsContact C-N 3.27Å; D200-A202 PolarHBondContact O-N 3.47Å; A202-A204 VanDerWaalsContact C-N 3.31Å; A202-A204 PolarHBondContact O-N 3.3Å; A202-K205 CarbonylContact O-C 3.46Å; A202-K205 PolarHBondContact O-N 3.18Å; A202-K205 VanDerWaalsContact O-N 3.16Å; A202-L206 PolarHBondContact O-N 3.33Å; A202-M221 HydrophobicContact CB-CE 3.81Å; A202-M221 HydrophobicContact CB-CG 4.22Å; A202-M221 HydrophobicContact CB-SD 3.87Å |
| 203 | I | 96.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 71.5 Ų | 71.5 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 174 | -79.7 | -173.7 | 0 | 0 | 0 | 110.8 | F199 D200 K205 L206 M221 | F199-I203 HydrophobicContact CD1-CD1 3.63Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.08Å; F199-I203 HydrophobicContact CE1-CG1 4.1Å; F199-I203 HydrophobicContact CE2-CD1 4.25Å; F199-I203 HydrophobicContact CG-CD1 4.43Å; F199-I203 HydrophobicContact CZ-CD1 3.44Å; F199-I203 VanDerWaalsContact CZ-CD1 3.44Å; F199-I203 HydrophobicContact CZ-CG1 4.27Å; F199-I203 WeakPolarHBondContact O-CB 3.34Å; F199-I203 WeakPolarHBondContact O-CG1 3.39Å; F199-I203 PolarHBondContact O-N 3.1Å; D200-I203 PolarHBondContact O-N 3.46Å; I203-K205 PolarHBondContact O-N 3.33Å; I203-L206 WeakPolarHBondContact O-CB 3.41Å; I203-L206 PolarHBondContact O-N 2.89Å; I203-M221 HydrophobicContact CB-CE 4.45Å; I203-M221 HydrophobicContact CG1-CE 3.54Å |
| 204 | A | 97.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D200 A202 | D200-A204 WeakPolarHBondContact O-CB 3.34Å; D200-A204 PolarHBondContact O-N 3.16Å; A202-A204 VanDerWaalsContact C-N 3.31Å; A202-A204 PolarHBondContact O-N 3.3Å |
| 205 | K | 96.2 | Very high | 94.9 | Very high | 84 Ų | 84 | 77.1 Ų | 77.1 | 37% | 0.365 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 10.4 | -177.6 | -60.8 | -61.8 | 175.2 | -168.3 | 0 | 113.3 | F164 P165 T166 A202 I203 D207 Q208 | F164-K205 HydrophobicContact CE1-CB 3.75Å; F164-K205 HydrophobicContact CE1-CG 4.47Å; F164-K205 HydrophobicContact CZ-CB 3.71Å; F164-K205 HydrophobicContact CZ-CD 4.13Å; F164-K205 HydrophobicContact CZ-CG 4.05Å; P165-K205 HydrophobicContact CB-CG 4.4Å; P165-K205 HydrophobicContact CG-CG 4.27Å; T166-K205 HydrophobicContact CG2-CB 3.99Å; T166-K205 WeakPolarHBondContact CG2-O 3.43Å; A202-K205 CarbonylContact O-C 3.46Å; A202-K205 PolarHBondContact O-N 3.18Å; A202-K205 VanDerWaalsContact O-N 3.16Å; I203-K205 PolarHBondContact O-N 3.33Å; K205-D207 PolarHBondContact O-N 3.19Å; K205-Q208 PolarHBondContact O-N 2.89Å; K205-Q208 VanDerWaalsContact O-N 3.08Å |
| 206 | L | 93.3 | Very high | 94.8 | Very high | 56 Ų | 56 | 81.3 Ų | 81.3 | 29% | 0.293 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -64.8 | -29.6 | -172.9 | -170.9 | 63.6 | 0 | 0 | 0 | 112.4 | A202 I203 Q208 L209 T218 M221 | A202-L206 PolarHBondContact O-N 3.33Å; I203-L206 WeakPolarHBondContact O-CB 3.41Å; I203-L206 PolarHBondContact O-N 2.89Å; L206-Q208 PolarHBondContact O-N 3.39Å; L206-L209 HydrophobicContact CD1-CD2 3.69Å; L206-L209 VanDerWaalsContact O-CB 3.23Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.41Å; L206-T218 HydrophobicContact CD1-CG2 4.31Å; L206-M221 HydrophobicContact CD1-CE 4.31Å; L206-M221 HydrophobicContact CD1-SD 3.94Å |
| 207 | D | 93.6 | Very high | 94.7 | Very high | 132 Ų | 132 | 77.7 Ų | 77.7 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -63.5 | -19.2 | 175.4 | 64.8 | -46.1 | 0 | 0 | 0 | 113.7 | K205 | K205-D207 PolarHBondContact O-N 3.19Š|
| 208 | Q | 92.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 77.7 Ų | 77.7 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -98.7 | 1.3 | -179.5 | -58.3 | 176.4 | 29 | 0 | 0 | 112.8 | F164 K205 L206 | F164-Q208 HydrophobicContact CE1-CB 4.1Å; F164-Q208 HydrophobicContact CZ-CB 3.9Å; F164-Q208 VanDerWaalsContact CZ-OE1 3.26Å; K205-Q208 PolarHBondContact O-N 2.89Å; K205-Q208 VanDerWaalsContact O-N 3.08Å; L206-Q208 PolarHBondContact O-N 3.39Å |
| 209 | L | 90.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 81.7 Ų | 81.7 | 13% | 0.126 | 42% | 0.416 | C | S | . | . | trans | -71 | 131.4 | -178.3 | -177.1 | 55 | 0 | 0 | 0 | 110.8 | L206 Y214 | L206-L209 HydrophobicContact CD1-CD2 3.69Å; L206-L209 VanDerWaalsContact O-CB 3.23Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.41Å; L209-Y214 HydrophobicContact CD2-CD2 3.85Å; L209-Y214 HydrophobicContact CD2-CG 4.39Å; L209-Y214 HydrophobicContact CG-CD2 4.23Å | ||
| 210 | S | 89.5 | Confident | 94.7 | Very high | 61 Ų | 61 | 81.5 Ų | 81.5 | 43% | 0.427 | 42% | 0.416 | S | S | . | . | trans | -70.4 | 152 | 175.4 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | E212 S213 Y214 | S210-E212 PolarHBondContact O-N 3.3Å; S210-S213 PolarHBondContact O-N 2.93Å; S210-S213 PolarHBondContact OG-N 3.3Å; S210-Y214 PolarHBondContact O-N 3.15Å | ||
| 211 | E | 89.6 | Confident | 94.7 | Very high | 186 Ų | 186 | 78.4 Ų | 78.4 | 87% | 0.869 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58 | -38.4 | 177.1 | -170.3 | 175.6 | -179 | 0 | 0 | 112.1 | S213 Y214 | E211-S213 PolarHBondContact O-N 3.49Å; E211-Y214 WeakPolarHBondContact O-CB 3.46Å; E211-Y214 PolarHBondContact O-N 3.45Å |
| 212 | E | 90 | Very high | 94.7 | Very high | 182 Ų | 182 | 77.6 Ų | 77.6 | 85% | 0.85 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.4 | -40 | 179 | -174.4 | 179.7 | -174 | 0 | 0 | 112.7 | S210 | S210-E212 PolarHBondContact O-N 3.3Å |
| 213 | S | 92 | Very high | 94.7 | Very high | 28 Ų | 28 | 81.1 Ų | 81.1 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -93.1 | -5.5 | -179.3 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | S210 E211 K215 D216 S217 | S210-S213 PolarHBondContact O-N 2.93Å; S210-S213 PolarHBondContact OG-N 3.3Å; E211-S213 PolarHBondContact O-N 3.49Å; S213-K215 PolarHBondContact O-N 2.67Å; S213-D216 PolarHBondContact O-N 3.33Å; S213-S217 WeakPolarHBondContact O-CB 3.07Å; S213-S217 PolarHBondContact O-N 3.49Å; S213-S217 PolarHBondContact O-OG 3.15Å |
| 214 | Y | 92.8 | Very high | 94.8 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.3 | -50.4 | -170.9 | -172.3 | -90.8 | 0 | 0 | 0 | 112.3 | L209 S210 E211 T218 | L209-Y214 HydrophobicContact CD2-CD2 3.85Å; L209-Y214 HydrophobicContact CD2-CG 4.39Å; L209-Y214 HydrophobicContact CG-CD2 4.23Å; S210-Y214 PolarHBondContact O-N 3.15Å; E211-Y214 WeakPolarHBondContact O-CB 3.46Å; E211-Y214 PolarHBondContact O-N 3.45Å; Y214-T218 HydrophobicContact CD1-CG2 4.28Å; Y214-T218 HydrophobicContact CD2-CG2 4.46Å; Y214-T218 HydrophobicContact CE1-CG2 3.99Å; Y214-T218 HydrophobicContact CE2-CG2 4.19Å; Y214-T218 WeakPolarHBondContact O-CB 3.19Å; Y214-T218 VanDerWaalsContact O-CG2 3.29Å; Y214-T218 WeakPolarHBondContact O-CG2 3.36Å; Y214-T218 PolarHBondContact O-N 2.67Å; Y214-T218 PolarHBondContact O-OG1 3.48Å |
| 215 | K | 95.1 | Very high | 94.8 | Very high | 163 Ų | 163 | 79.7 Ų | 79.7 | 71% | 0.709 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | -177 | -175.5 | -176.2 | 175.9 | -172.3 | 0 | 112.2 | S213 T218 L219 | S213-K215 PolarHBondContact O-N 2.67Å; K215-T218 PolarHBondContact O-OG1 3.07Å; K215-L219 WeakPolarHBondContact O-CB 3.31Å; K215-L219 PolarHBondContact O-N 3.43Å; K215-L219 VanDerWaalsContact O-N 3.12Å |
| 216 | D | 95.6 | Very high | 94.9 | Very high | 88 Ų | 88 | 78.9 Ų | 78.9 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | -175.7 | -68.8 | -15.4 | 0 | 0 | 0 | 111.3 | P168 S213 L219 I220 | P168-D216 HydrophobicContact CB-CB 4.2Å; P168-D216 HydrophobicContact CG-CB 4.14Å; S213-D216 PolarHBondContact O-N 3.33Å; D216-L219 PolarHBondContact O-N 3.4Å; D216-I220 WeakPolarHBondContact O-CD1 3.32Å; D216-I220 VanDerWaalsContact O-CG1 3.24Å; D216-I220 WeakPolarHBondContact O-CG1 3.47Å; D216-I220 PolarHBondContact O-N 2.98Å |
| 217 | S | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | -178.7 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | T166 P168 S213 L219 I220 M221 | T166-S217 WeakPolarHBondContact O-CB 3.45Å; T166-S217 PolarHBondContact O-OG 2.98Å; P168-S217 WeakPolarHBondContact CD-OG 3.29Å; P168-S217 WeakPolarHBondContact CG-OG 3.49Å; S213-S217 WeakPolarHBondContact O-CB 3.07Å; S213-S217 PolarHBondContact O-N 3.49Å; S213-S217 PolarHBondContact O-OG 3.15Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L219 PolarHBondContact O-N 3.44Å; S217-I220 PolarHBondContact O-N 2.79Å; S217-M221 VanDerWaalsContact O-CG 3.28Å; S217-M221 WeakPolarHBondContact O-CG 3.48Å; S217-M221 PolarHBondContact O-N 3.37Å |
| 218 | T | 97.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 72.2 Ų | 72.2 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 179.3 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | L206 Y214 K215 M221 Q222 | L206-T218 HydrophobicContact CD1-CG2 4.31Å; Y214-T218 HydrophobicContact CD1-CG2 4.28Å; Y214-T218 HydrophobicContact CD2-CG2 4.46Å; Y214-T218 HydrophobicContact CE1-CG2 3.99Å; Y214-T218 HydrophobicContact CE2-CG2 4.19Å; Y214-T218 WeakPolarHBondContact O-CB 3.19Å; Y214-T218 VanDerWaalsContact O-CG2 3.29Å; Y214-T218 WeakPolarHBondContact O-CG2 3.36Å; Y214-T218 PolarHBondContact O-N 2.67Å; Y214-T218 PolarHBondContact O-OG1 3.48Å; K215-T218 PolarHBondContact O-OG1 3.07Å; T218-M221 PolarHBondContact O-N 2.92Å; T218-Q222 WeakPolarHBondContact O-CB 3.42Å; T218-Q222 PolarHBondContact O-N 3.24Å |
| 219 | L | 97.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 71 Ų | 71 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 171.8 | 178.2 | 62.1 | 0 | 0 | 0 | 111.7 | K215 D216 S217 Q222 L223 | K215-L219 WeakPolarHBondContact O-CB 3.31Å; K215-L219 PolarHBondContact O-N 3.43Å; K215-L219 VanDerWaalsContact O-N 3.12Å; D216-L219 PolarHBondContact O-N 3.4Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L219 PolarHBondContact O-N 3.44Å; L219-Q222 WeakPolarHBondContact O-CB 3.39Å; L219-Q222 PolarHBondContact O-N 2.86Å; L219-L223 WeakPolarHBondContact O-CG 3.38Å; L219-L223 PolarHBondContact O-N 2.66Å; L219-L223 VanDerWaalsContact O-N 3.09Å |
| 220 | I | 98.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 178.8 | -61.9 | 163.3 | 0 | 0 | 0 | 111.2 | P168 L171 L175 D216 S217 Q222 L223 L224 | P168-I220 HydrophobicContact CB-CD1 4.16Å; P168-I220 WeakPolarHBondContact O-CD1 3.09Å; L171-I220 HydrophobicContact CB-CB 4.17Å; L171-I220 HydrophobicContact CB-CD1 4.46Å; L171-I220 HydrophobicContact CB-CG2 3.62Å; L175-I220 HydrophobicContact CB-CG2 4.26Å; L175-I220 HydrophobicContact CD2-CG2 4.19Å; D216-I220 WeakPolarHBondContact O-CD1 3.32Å; D216-I220 VanDerWaalsContact O-CG1 3.24Å; D216-I220 WeakPolarHBondContact O-CG1 3.47Å; D216-I220 PolarHBondContact O-N 2.98Å; S217-I220 PolarHBondContact O-N 2.79Å; I220-Q222 VanDerWaalsContact C-N 3.26Å; I220-Q222 PolarHBondContact O-N 2.66Å; I220-L223 PolarHBondContact O-N 2.9Å; I220-L223 VanDerWaalsContact O-N 3.16Å; I220-L224 PolarHBondContact O-N 3.4Å |
| 221 | M | 98.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 72.3 Ų | 72.3 | 5% | 0.054 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.6 | -39 | 173.8 | -70.3 | 171.9 | 72 | 0 | 0 | 111.7 | L171 F199 A202 I203 L206 S217 T218 L224 R225 | L171-M221 HydrophobicContact CD1-CG 3.91Å; L171-M221 HydrophobicContact CD1-SD 4.41Å; L171-M221 HydrophobicContact CD2-CG 4.16Å; F199-M221 HydrophobicContact CD2-CB 4.13Å; F199-M221 WeakPolarHBondContact CD2-O 3.47Å; F199-M221 HydrophobicContact CE2-CB 4.11Å; F199-M221 VanDerWaalsContact CE2-O 3.3Å; F199-M221 WeakPolarHBondContact CE2-O 3.31Å; A202-M221 HydrophobicContact CB-CE 3.81Å; A202-M221 HydrophobicContact CB-CG 4.22Å; A202-M221 HydrophobicContact CB-SD 3.87Å; I203-M221 HydrophobicContact CB-CE 4.45Å; I203-M221 HydrophobicContact CG1-CE 3.54Å; L206-M221 HydrophobicContact CD1-CE 4.31Å; L206-M221 HydrophobicContact CD1-SD 3.94Å; S217-M221 VanDerWaalsContact O-CG 3.28Å; S217-M221 WeakPolarHBondContact O-CG 3.48Å; S217-M221 PolarHBondContact O-N 3.37Å; T218-M221 PolarHBondContact O-N 2.92Å; M221-L224 PolarHBondContact O-N 3.1Å; M221-R225 PolarHBondContact O-N 3.01Å |
| 222 | Q | 98.2 | Very high | 96 | Very high | 62 Ų | 62 | 67.1 Ų | 67.1 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 173.9 | 177.3 | 55.7 | 29.9 | 0 | 0 | 111.6 | T218 L219 I220 L224 R225 D226 | T218-Q222 WeakPolarHBondContact O-CB 3.42Å; T218-Q222 PolarHBondContact O-N 3.24Å; L219-Q222 WeakPolarHBondContact O-CB 3.39Å; L219-Q222 PolarHBondContact O-N 2.86Å; I220-Q222 VanDerWaalsContact C-N 3.26Å; I220-Q222 PolarHBondContact O-N 2.66Å; Q222-L224 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.37Å; Q222-R225 WeakPolarHBondContact O-CB 3.43Å; Q222-R225 PolarHBondContact O-N 3.15Å; Q222-D226 PolarHBondContact NE2-OD1 2.88Å; Q222-D226 PolarHBondContact NE2-OD2 2.87Å; Q222-D226 PolarHBondContact O-N 3.15Å |
| 223 | L | 98.4 | Very high | 95.9 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.9 | -66.4 | 171.9 | 0 | 0 | 0 | 112.5 | L175 L219 I220 D226 N227 | L175-L223 HydrophobicContact CD1-CB 4.09Å; L175-L223 HydrophobicContact CD2-CB 3.93Å; L175-L223 HydrophobicContact CD2-CD1 3.92Å; L219-L223 WeakPolarHBondContact O-CG 3.38Å; L219-L223 PolarHBondContact O-N 2.66Å; L219-L223 VanDerWaalsContact O-N 3.09Å; I220-L223 PolarHBondContact O-N 2.9Å; I220-L223 VanDerWaalsContact O-N 3.16Å; L223-D226 PolarHBondContact O-N 2.86Å; L223-N227 PolarHBondContact O-N 2.91Å |
| 224 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 173.8 | -77.6 | 167.5 | 0 | 0 | 0 | 111.4 | L171 L175 A195 A198 F199 I220 M221 Q222 D226 N227 L228 | L171-L224 HydrophobicContact CD2-CD1 4.11Å; L175-L224 HydrophobicContact CB-CD2 3.94Å; L175-L224 HydrophobicContact CB-CG 4.27Å; L175-L224 HydrophobicContact CD1-CD2 3.98Å; L175-L224 HydrophobicContact CD1-CG 4.19Å; A195-L224 HydrophobicContact CB-CD2 3.85Å; A198-L224 HydrophobicContact CB-CD1 4.31Å; F199-L224 HydrophobicContact CD2-CB 4.39Å; I220-L224 PolarHBondContact O-N 3.4Å; M221-L224 PolarHBondContact O-N 3.1Å; Q222-L224 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.37Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 3.47Å; L224-N227 PolarHBondContact O-N 3.02Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 3.15Å |
| 225 | R | 97.8 | Very high | 94.2 | Very high | 119 Ų | 119 | 61.5 Ų | 61.5 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.3 | -172.3 | -173.1 | 73.1 | -177.9 | 6.4 | 112.5 | F199 M221 Q222 L228 T229 | F199-R225 HydrophobicContact CD2-CB 4.43Å; F199-R225 HydrophobicContact CE2-CB 3.87Å; F199-R225 HydrophobicContact CZ-CB 4.15Å; F199-R225 HydrophobicContact CZ-CG 4.3Å; M221-R225 PolarHBondContact O-N 3.01Å; Q222-R225 WeakPolarHBondContact O-CB 3.43Å; Q222-R225 PolarHBondContact O-N 3.15Å; R225-L228 PolarHBondContact O-N 3.24Å; R225-T229 PolarHBondContact O-N 3.17Å; R225-T229 PolarHBondContact O-OG1 3.44Å |
| 226 | D | 98 | Very high | 92.7 | Very high | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | -179.5 | -65.2 | -12.1 | 0 | 0 | 0 | 110.7 | Q222 L223 L224 T229 L230 | Q222-D226 PolarHBondContact NE2-OD1 2.88Å; Q222-D226 PolarHBondContact NE2-OD2 2.87Å; Q222-D226 PolarHBondContact O-N 3.15Å; L223-D226 PolarHBondContact O-N 2.86Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 3.47Å; D226-T229 PolarHBondContact O-N 3.49Å; D226-L230 PolarHBondContact O-N 2.94Å |
| 227 | N | 97.1 | Very high | 91 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 172.1 | -79.2 | 3.6 | 0 | 0 | 0 | 112.3 | L175 L223 L224 T229 L230 W231 | L175-N227 VanDerWaalsContact CD1-ND2 3.32Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.39Å; L223-N227 PolarHBondContact O-N 2.91Å; L224-N227 PolarHBondContact O-N 3.02Å; N227-T229 VanDerWaalsContact C-N 3.27Å; N227-T229 PolarHBondContact O-N 3.09Å; N227-L230 PolarHBondContact O-N 2.75Å; N227-W231 HydrophobicContact CB-CD2 4.14Å; N227-W231 HydrophobicContact CB-CE3 4.01Å; N227-W231 HydrophobicContact CB-CH2 3.65Å; N227-W231 HydrophobicContact CB-CZ2 3.76Å; N227-W231 HydrophobicContact CB-CZ3 3.76Å; N227-W231 WeakPolarHBondContact ND2-CH2 3.47Å; N227-W231 WeakPolarHBondContact ND2-CZ2 3.44Å; N227-W231 WeakPolarHBondContact O-CB 3.36Å; N227-W231 VanDerWaalsContact O-CD2 3.27Å; N227-W231 PolarHBondContact O-N 2.98Å |
| 228 | L | 96.9 | Very high | 89 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 176.1 | -75.8 | 164.5 | 0 | 0 | 0 | 111.4 | C192 A195 Q196 L224 R225 T232 | C192-L228 HydrophobicContact CB-CD2 4.06Å; C192-L228 WeakPolarHBondContact O-CD2 3.32Å; A195-L228 HydrophobicContact CB-CD1 4.32Å; A195-L228 HydrophobicContact CB-CD2 3.88Å; A195-L228 HydrophobicContact CB-CG 3.93Å; Q196-L228 HydrophobicContact CB-CD1 4.36Å; Q196-L228 HydrophobicContact CB-CD2 4.12Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 3.15Å; R225-L228 PolarHBondContact O-N 3.24Å; L228-T232 VanDerWaalsContact O-CB 3.3Å; L228-T232 WeakPolarHBondContact O-CB 3.47Å; L228-T232 WeakPolarHBondContact O-CG2 2.99Å; L228-T232 PolarHBondContact O-N 3.3Å; L228-T232 PolarHBondContact O-OG1 3.47Å |
| 229 | T | 96.1 | Very high | 87 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | R225 D226 N227 T232 S233 | R225-T229 PolarHBondContact O-N 3.17Å; R225-T229 PolarHBondContact O-OG1 3.44Å; D226-T229 PolarHBondContact O-N 3.49Å; N227-T229 VanDerWaalsContact C-N 3.27Å; N227-T229 PolarHBondContact O-N 3.09Å; T229-T232 PolarHBondContact O-OG1 3.44Å; T229-S233 WeakPolarHBondContact O-CB 3.23Å; T229-S233 PolarHBondContact O-N 3.22Å; T229-S233 PolarHBondContact O-OG 3.26Å |
| 230 | L | 94.8 | Very high | 84.6 | Confident | 103 Ų | 103 | 64 Ų | 64 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -54.1 | 179.1 | -178.8 | 65.5 | 0 | 0 | 0 | 111.3 | D226 N227 T232 S233 D234 | D226-L230 PolarHBondContact O-N 2.94Å; N227-L230 PolarHBondContact O-N 2.75Å; L230-T232 PolarHBondContact O-N 3.37Å; L230-S233 PolarHBondContact O-N 2.9Å; L230-S233 PolarHBondContact O-OG 2.96Å; L230-D234 PolarHBondContact O-N 3.3Å |
| 231 | W | 95.2 | Very high | 82.2 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.3 | -29.1 | -172.9 | -56.5 | -29.1 | 0 | 0 | 0 | 113.7 | S178 V179 Y182 A191 A195 N227 S233 | S178-W231 WeakPolarHBondContact OG-CH2 3.43Å; V179-W231 HydrophobicContact CG2-CH2 3.99Å; V179-W231 HydrophobicContact CG2-CZ2 3.98Å; Y182-W231 AromaticContact CD1-CD1 3.87Å; Y182-W231 AromaticContact CD1-CE2 3.91Å; Y182-W231 HydrophobicContact CD1-CZ2 4.36Å; Y182-W231 AromaticContact CD1-NE1 3.38Å; Y182-W231 HydrophobicContact CD2-CB 4.12Å; Y182-W231 AromaticContact CD2-CD1 3.51Å; Y182-W231 AromaticContact CD2-CD2 3.9Å; Y182-W231 HydrophobicContact CD2-CD2 3.9Å; Y182-W231 AromaticContact CD2-CE2 3.99Å; Y182-W231 AromaticContact CD2-CG 3.6Å; Y182-W231 HydrophobicContact CD2-CG 3.6Å; Y182-W231 AromaticContact CD2-NE1 3.74Å; Y182-W231 AromaticContact CE1-CD1 3.58Å; Y182-W231 AromaticContact CE1-NE1 3.41Å; Y182-W231 HydrophobicContact CE2-CB 3.9Å; Y182-W231 AromaticContact CE2-CD1 3.23Å; Y182-W231 HydrophobicContact CE2-CD2 4.35Å; Y182-W231 AromaticContact CE2-CG 3.58Å; Y182-W231 HydrophobicContact CE2-CG 3.58Å; Y182-W231 AromaticContact CE2-NE1 3.81Å; Y182-W231 AromaticContact CG-CD1 3.83Å; Y182-W231 HydrophobicContact CG-CD2 4.07Å; Y182-W231 AromaticContact CG-CE2 3.69Å; Y182-W231 HydrophobicContact CG-CG 4.14Å; Y182-W231 HydrophobicContact CG-CZ2 4.17Å; Y182-W231 AromaticContact CG-NE1 3.54Å; Y182-W231 AromaticContact CZ-CD1 3.25Å; Y182-W231 AromaticContact CZ-NE1 3.64Å; A191-W231 HydrophobicContact CB-CE3 4.2Å; A191-W231 HydrophobicContact CB-CZ3 4.07Å; A195-W231 HydrophobicContact CB-CZ3 4.36Å; N227-W231 HydrophobicContact CB-CD2 4.14Å; N227-W231 HydrophobicContact CB-CE3 4.01Å; N227-W231 HydrophobicContact CB-CH2 3.65Å; N227-W231 HydrophobicContact CB-CZ2 3.76Å; N227-W231 HydrophobicContact CB-CZ3 3.76Å; N227-W231 WeakPolarHBondContact ND2-CH2 3.47Å; N227-W231 WeakPolarHBondContact ND2-CZ2 3.44Å; N227-W231 WeakPolarHBondContact O-CB 3.36Å; N227-W231 VanDerWaalsContact O-CD2 3.27Å; N227-W231 PolarHBondContact O-N 2.98Å; W231-S233 VanDerWaalsContact C-N 3.29Å |
| 232 | T | 91.1 | Very high | 79.4 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -76.4 | -19 | 174.3 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | L228 T229 L230 | L228-T232 VanDerWaalsContact O-CB 3.3Å; L228-T232 WeakPolarHBondContact O-CB 3.47Å; L228-T232 WeakPolarHBondContact O-CG2 2.99Å; L228-T232 PolarHBondContact O-N 3.3Å; L228-T232 PolarHBondContact O-OG1 3.47Å; T229-T232 PolarHBondContact O-OG1 3.44Å; L230-T232 PolarHBondContact O-N 3.37Å |
| 233 | S | 88.2 | Confident | 76.7 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -4.5 | 175.4 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | T229 L230 W231 P235 | T229-S233 WeakPolarHBondContact O-CB 3.23Å; T229-S233 PolarHBondContact O-N 3.22Å; T229-S233 PolarHBondContact O-OG 3.26Å; L230-S233 PolarHBondContact O-N 2.9Å; L230-S233 PolarHBondContact O-OG 2.96Å; W231-S233 VanDerWaalsContact C-N 3.29Å; S233-P235 WeakPolarHBondContact O-CD 3.41Å |
| 234 | D | 81 | Confident | 74 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 19% | 0.193 | 40% | 0.401 | C | S | . | . | trans | -71.1 | 118.6 | -174.4 | -169.4 | -9.5 | 0 | 0 | 0 | 111.8 | Y182 L230 E236 R237 | Y182-D234 PolarHBondContact OH-OD2 3.24Å; L230-D234 PolarHBondContact O-N 3.3Å; D234-E236 PolarHBondContact O-N 2.98Å; D234-E236 PolarHBondContact OD1-N 3.35Å; D234-R237 VanDerWaalsContact O-CB 3.27Å; D234-R237 WeakPolarHBondContact O-CB 2.93Å; D234-R237 PolarHBondContact O-N 3.25Å | ||
| 235 | P | 67.7 | Low | 71.3 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.8 | 176.8 | -20.7 | 32.4 | 0 | 0 | 0 | 113.7 | S233 R237 D238 | S233-P235 WeakPolarHBondContact O-CD 3.41Å; P235-R237 PolarHBondContact O-N 2.95Å; P235-D238 PolarHBondContact O-N 3.34Å; P235-D238 VanDerWaalsContact O-N 3.16Å |
| 236 | E | 64.1 | Low | 68.9 | Low | 132 Ų | 132 | 81.6 Ų | 81.6 | 62% | 0.617 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.6 | -17.7 | -179 | -64.9 | -169.2 | 173 | 0 | 0 | 112.4 | D234 D238 D239 N240 | D234-E236 PolarHBondContact O-N 2.98Å; D234-E236 PolarHBondContact OD1-N 3.35Å; E236-D238 VanDerWaalsContact C-N 3.31Å; E236-D238 PolarHBondContact O-N 3.28Å; E236-D239 PolarHBondContact O-N 3.2Å; E236-N240 PolarHBondContact O-N 3.07Å |
| 237 | R | 58.8 | Low | 66.3 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 28% | 0.275 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 172.2 | -168 | 177.8 | 178.2 | -158.9 | 0.8 | 111.8 | P188 D189 D234 P235 D239 N240 V241 | P188-R237 HydrophobicContact CG-CG 4.21Å; D189-R237 IonicContact OD1-CZ 2.74Å; D189-R237 IonicContact OD1-NE 2.7Å; D189-R237 PolarHBondContact OD1-NE 3.47Å; D189-R237 VanDerWaalsContact OD1-NE 3.12Å; D189-R237 IonicContact OD1-NH2 2.76Å; D189-R237 PolarHBondContact OD1-NH2 2.95Å; D234-R237 VanDerWaalsContact O-CB 3.27Å; D234-R237 WeakPolarHBondContact O-CB 2.93Å; D234-R237 PolarHBondContact O-N 3.25Å; P235-R237 PolarHBondContact O-N 2.95Å; R237-D239 VanDerWaalsContact C-N 3.3Å; R237-D239 PolarHBondContact O-N 2.96Å; R237-N240 PolarHBondContact O-N 2.93Å; R237-V241 WeakPolarHBondContact O-CG2 3.42Å; R237-V241 PolarHBondContact O-N 3.29Å |
| 238 | D | 56.7 | Low | 63.4 | Low | 107 Ų | 107 | 94.1 Ų | 94.1 | 57% | 0.572 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.9 | -27 | -179.6 | -79.5 | -13.9 | 0 | 0 | 0 | 112.6 | P235 E236 K242 | P235-D238 PolarHBondContact O-N 3.34Å; P235-D238 VanDerWaalsContact O-N 3.16Å; E236-D238 VanDerWaalsContact C-N 3.31Å; E236-D238 PolarHBondContact O-N 3.28Å; D238-K242 WeakPolarHBondContact O-CG 3.36Å; D238-K242 PolarHBondContact O-N 3.44Å |
| 239 | D | 53.4 | Low | 60.6 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -79.7 | -29 | 179.1 | -77.1 | -17.6 | 0 | 0 | 0 | 112.5 | E236 R237 K242 K243 | E236-D239 PolarHBondContact O-N 3.2Å; R237-D239 VanDerWaalsContact C-N 3.3Å; R237-D239 PolarHBondContact O-N 2.96Å; D239-K242 IonicContact OD1-NZ 2.57Å; D239-K243 PolarHBondContact O-N 3.4Å |
| 240 | N | 48.5 | Very low | 58.9 | Low | 44 Ų | 44 | 101.3 Ų | 101.3 | 24% | 0.235 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -73.9 | -37.1 | 172.4 | -74 | -22.6 | 0 | 0 | 0 | 112.2 | N186 E236 R237 K242 K243 D244 | N186-N240 PolarHBondContact ND2-ND2 2.97Å; E236-N240 PolarHBondContact O-N 3.07Å; R237-N240 PolarHBondContact O-N 2.93Å; N240-K242 PolarHBondContact O-N 3.46Å; N240-K243 PolarHBondContact O-N 2.88Å; N240-D244 PolarHBondContact O-N 3.04Å; N240-D244 VanDerWaalsContact O-N 3.16Å |
| 241 | V | 47.3 | Very low | 57 | Low | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | R237 T245 | R237-V241 WeakPolarHBondContact O-CG2 3.42Å; R237-V241 PolarHBondContact O-N 3.29Å; V241-T245 PolarHBondContact O-N 2.93Å; V241-T245 PolarHBondContact O-OG1 2.94Å |
| 242 | K | 40.3 | Very low | 54.9 | Low | 119 Ų | 119 | 106.3 Ų | 106.3 | 52% | 0.517 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.4 | -38.6 | 176.7 | -71.4 | 173.1 | -168.9 | 157.8 | 0 | 113.1 | D238 D239 N240 T245 D246 | D238-K242 WeakPolarHBondContact O-CG 3.36Å; D238-K242 PolarHBondContact O-N 3.44Å; D239-K242 IonicContact OD1-NZ 2.57Å; N240-K242 PolarHBondContact O-N 3.46Å; K242-T245 WeakPolarHBondContact CA-OG1 3.37Å; K242-T245 PolarHBondContact O-N 3.32Å; K242-T245 PolarHBondContact O-OG1 3.27Å; K242-D246 PolarHBondContact O-N 3.05Å; K242-D246 VanDerWaalsContact O-N 3.1Å |
| 243 | K | 40.5 | Very low | 52.7 | Low | 138 Ų | 138 | 108.1 Ų | 108.1 | 60% | 0.6 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 178.2 | -74.9 | 179.4 | -176.9 | 169.2 | 0 | 112.4 | D239 N240 T245 D246 E247 | D239-K243 PolarHBondContact O-N 3.4Å; N240-K243 PolarHBondContact O-N 2.88Å; K243-T245 VanDerWaalsContact C-N 3.32Å; K243-T245 PolarHBondContact O-N 3.47Å; K243-D246 PolarHBondContact O-N 3.03Å; K243-E247 PolarHBondContact O-N 3.5Å |
| 244 | D | 41.4 | Very low | 50.5 | Low | 114 Ų | 114 | 109.7 Ų | 109.7 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.1 | -25.8 | 177.4 | -82.6 | -6.1 | 0 | 0 | 0 | 113.2 | N240 | N240-D244 PolarHBondContact O-N 3.04Å; N240-D244 VanDerWaalsContact O-N 3.16Å |
| 245 | T | 43.6 | Very low | 48.5 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -77 | -30.1 | 172.5 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | V241 K242 K243 | V241-T245 PolarHBondContact O-N 2.93Å; V241-T245 PolarHBondContact O-OG1 2.94Å; K242-T245 WeakPolarHBondContact CA-OG1 3.37Å; K242-T245 PolarHBondContact O-N 3.32Å; K242-T245 PolarHBondContact O-OG1 3.27Å; K243-T245 VanDerWaalsContact C-N 3.32Å; K243-T245 PolarHBondContact O-N 3.47Å |
| 246 | D | 46 | Very low | 47.1 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 67% | 0.674 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.1 | -23.3 | -179.6 | -73.8 | -19.7 | 0 | 0 | 0 | 112.8 | K242 K243 | K242-D246 PolarHBondContact O-N 3.05Å; K242-D246 VanDerWaalsContact O-N 3.1Å; K243-D246 PolarHBondContact O-N 3.03Å |
| 247 | E | 43.8 | Very low | 45.8 | Very low | 170 Ų | 170 | 114.5 Ų | 114.5 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5.5 | 175.2 | -75.7 | -167.3 | 170.2 | 0 | 0 | 114.5 | K243 | K243-E247 PolarHBondContact O-N 3.5Š|
| 248 | K | 37.4 | Very low | 44.7 | Very low | 195 Ų | 195 | 117.9 Ų | 117.9 | 85% | 0.848 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 14.4 | 179 | -74.6 | -175 | -178.9 | 167.4 | 0 | 115.1 | ||
| 249 | A | 37.9 | Very low | 43.6 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 100% | 1.215 | 64% | 0.635 | S | S | * | * | trans | -105.5 | 0 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 249 of 249 residues in 62.6 ms
(Link to these results)